@text This is a kinemage graphics file. You can view it in one of two ways: 1) Open it in your local copy of the free program KiNG (available at http://kinemage.biochem.duke.edu/software/king.php). To do so, either rename this file to end with ".kin" instead of "_kin.txt", (in which case drag-'n'-drop into KiNG will also work), or open it using the "All files" format option under "File | Open file..." 2) Upload it to the MolProbity web service (http://molprobity.biochem.duke.edu/) as a kinemage file, then select "View in KiNG". A kinemage display has a scrollable text window with explanatory information and a 3D graphics window with associated menus and buttons. The basic viewing functions are: 1) To rotate the image, drag slowly with the left mouse button 2) To zoom in, use slider or drag down with right mouse button 3) To identify an atom or point, click on it 4) To measure a distance, click on the two atoms successively 5) Turn graphics objects on or off with checkboxes on button panel 6) Animate with the keyboard 'a' or the Animate button for '*' groups, or with the keyboard 'b' or the 2-Animate button for '%' groups. 7) Click a *{hyperlink}* to jump to a specific view This kinemage examines backrubs at aromatic residues with "plus" chi1 (near +60 degrees) in anti-parallel beta-sheet. *{View 1}* recapitulates Figure 4 from the main text. The lowest-energy BRDEE models from one pair of starting conformations (darker, thicker lines) are initially turned on. Animate between the sets of examples for across from Gly vs. across from another amino acid type and notice that each "ensemble" matches its corresponding BRDEE model quite well. Note that this is also true for BRDEE models from the other starting conformations. (The Probe steric contacts appear to be more prominent for the "across from other" category because there are more examples present in this kinemage; they can be turned off/on via the master buttons at the bottom of the right-side panel.) *{View 2}* looks down the axis from the aromatic to its cross-strand partner, and shows that the starting examples were chosen to have low beta-sheet "fray." *{View 3}* takes a bird's eye view of the beta-sheet and helps visualize the movement of the aromatic ring toward the opposite strand. @kinemage 1 @title {Backrubs at Beta Aromatics} @whitebackground @onewidth @pdbfile {gly_avg_renumres_rota_mvcb_renumatm_ala_sup4supp.pdb} @1viewid {figure from paper} @1span 10.109128 @1zslab 226.0 @1center -10.6834 0.5464 -5.2334 @1matrix 0.6578 -0.748 0.0884 -0.7442 -0.6272 0.2299 -0.1165 -0.217 -0.9692 @2viewid {beta-sheet plane} @2span 17.754179 @2zslab 226.0 @2center -10.3296 0.5971 -6.5298 @2matrix -0.3494 -0.4874 0.8002 -0.2488 -0.7751 -0.5807 0.9033 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-7.19 {"}'P' green -11.551 1.337 -7.197 {"}'P' green -12.629 1.435 -6.942 {"}'P' green -11.87 1.379 -6.945 {"}'P' sea -11.634 1.283 -6.949 {"}'P' sea -12.302 1.332 -6.711 {"}'P' sea -12.047 1.299 -6.712 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ TYR 109 A}'P' P -12.496 1.601 -7.706 {"}'P' -12.494 1.572 -7.705 {"}'P' P -12.236 1.601 -7.706 {"}'P' -12.241 1.533 -7.704 {"}'P' P -11.978 1.562 -7.707 {"}'P' -11.991 1.505 -7.706 {"}'P' P -11.728 1.486 -7.711 {"}'P' -11.729 1.483 -7.711 {"}'P' P -12.505 1.589 -7.444 {"}'P' -12.5 1.528 -7.452 {"}'P' P -12.244 1.59 -7.444 {"}'P' -12.251 1.486 -7.457 {"}'P' P -11.986 1.553 -7.446 {"}'P' -12.007 1.46 -7.457 {"}'P' P -11.736 1.477 -7.449 {"}'P' -11.75 1.443 -7.454 {"}'P' P -12.562 1.533 -7.188 {"}'P' -12.558 1.503 -7.196 {"}'P' P -12.301 1.543 -7.188 {"}'P' -12.304 1.463 -7.21 {"}'P' P -12.041 1.513 -7.189 {"}'P' -12.057 1.432 -7.211 {"}'P' P -11.789 1.444 -7.192 {"}'P' -11.801 1.411 -7.201 {"}'P' P -12.374 1.457 -6.941 {"}'P' -12.374 1.446 -6.946 {"}'P' P -12.119 1.438 -6.942 {"}'P' -12.123 1.415 -6.952 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 109 A}'P' sky -12.927 1.552 -8.028 {"}'P' blue -13.224 1.598 -7.772 {"}'P' sky -12.982 1.514 -7.776 {"}'P' blue -13.113 1.457 -7.537 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 122 A}'P' blue -11.679 1.919 -8.196 {"}'P' blue -11.917 1.832 -8.2 {"}'P' sky -11.439 1.857 -8.014 {"}'P' sky -11.255 1.834 -7.793 {"}'P' blue -11.287 1.619 -7.294 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 122 A}'P' sea -11.656 1.714 -8.02 {"}'P' green -11.906 1.638 -8.023 {"}'P' green -12.166 1.636 -8.023 {"}'P' green -12.416 1.707 -8.02 {"}'P' sea -11.445 1.665 -7.8 {"}'P' green -11.67 1.547 -7.805 {"}'P' green -12.643 1.665 -7.8 {"}'P' sea -11.326 1.635 -7.554 {"}'P' green -11.542 1.498 -7.56 {"}'P' green -12.749 1.625 -7.554 {"}'P' green -11.496 1.477 -7.3 {"}'P' green -12.701 1.543 -7.297 {"}'P' sea -11.542 1.475 -7.04 {"}'P' green -12.749 1.603 -7.034 {"}'P' green -11.917 1.442 -6.793 {"}'P' green -12.171 1.442 -6.793 {"}'P' green -12.418 1.503 -6.791 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 122 A}'P' P -11.917 1.487 -7.808 {"}'P' -11.92 1.51 -7.795 {"}'P' P -12.171 1.487 -7.808 {"}'P' -12.166 1.531 -7.784 {"}'P' P -12.418 1.547 -7.805 {"}'P' -12.41 1.569 -7.793 {"}'P' P -11.782 1.412 -7.564 {"}'P' -11.792 1.453 -7.552 {"}'P' P -12.036 1.382 -7.565 {"}'P' -12.037 1.472 -7.54 {"}'P' P -12.29 1.409 -7.564 {"}'P' -12.269 1.5 -7.538 {"}'P' P -12.532 1.491 -7.56 {"}'P' -12.51 1.537 -7.546 {"}'P' P -11.731 1.384 -7.304 {"}'P' -11.739 1.413 -7.303 {"}'P' P -11.981 1.343 -7.306 {"}'P' -11.985 1.431 -7.302 {"}'P' P -12.233 1.357 -7.305 {"}'P' -12.217 1.458 -7.301 {"}'P' P -12.477 1.424 -7.302 {"}'P' -12.451 1.489 -7.3 {"}'P' P -11.782 1.389 -7.043 {"}'P' -11.782 1.39 -7.043 {"}'P' P -12.036 1.359 -7.045 {"}'P' -12.036 1.407 -7.053 {"}'P' P -12.29 1.386 -7.043 {"}'P' -12.279 1.435 -7.053 {"}'P' P -12.532 1.468 -7.04 {"}'P' -12.528 1.477 -7.042 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 109 A}'M' green -9.275 2.382 -6.221 {"}'M' green -9.136 2.597 -6.212 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 109 A}'M' greentint -9.131 2.193 -7.458 {"}'M' greentint -9.016 2.425 -7.447 {"}'M' greentint -8.851 2.625 -7.439 {"}'M' greentint -9.325 1.936 -7.249 {"}'M' greentint -9.274 2.184 -7.238 {"}'M' greentint -9.174 2.417 -7.228 {"}'M' greentint -9.029 2.625 -7.219 {"}'M' greentint -8.845 2.799 -7.211 {"}'M' greentint -9.419 1.918 -7.009 {"}'M' greentint -9.372 2.17 -6.998 {"}'M' greentint -9.279 2.408 -6.987 {"}'M' greentint -9.141 2.624 -6.978 {"}'M' greentint -8.966 2.81 -6.97 {"}'M' greentint -8.758 2.96 -6.963 {"}'M' greentint -9.448 2.044 -6.749 {"}'M' greentint -9.378 2.291 -6.738 {"}'M' greentint -9.263 2.521 -6.728 {"}'M' greentint -9.108 2.726 -6.719 {"}'M' greentint -8.918 2.899 -6.712 {"}'M' greentint -9.45 2.024 -6.491 {"}'M' greentint -9.381 2.272 -6.48 {"}'M' greentint -9.268 2.503 -6.47 {"}'M' greentint -9.114 2.709 -6.461 {"}'M' greentint -8.925 2.883 -6.454 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 122 A}'M' greentint -8.796 2.562 -7.279 {"}'M' greentint -8.892 2.329 -7.29 {"}'M' greentint -9.046 2.129 -7.298 {"}'M' greentint -9.246 1.976 -7.305 {"}'M' greentint -8.763 2.811 -7.269 {"}'M' greentint -8.758 2.559 -7.021 {"}'M' greentint -8.849 2.326 -7.031 {"}'M' greentint -8.995 2.122 -7.04 {"}'M' greentint -9.186 1.961 -7.047 {"}'M' greentint -8.729 2.808 -7.01 {"}'M' greentint -8.796 2.539 -6.762 {"}'M' greentint -8.892 2.306 -6.772 {"}'M' greentint -9.046 2.106 -6.781 {"}'M' greentint -9.246 1.953 -6.788 {"}'M' greentint -8.763 2.789 -6.751 {"}'M' greentint -8.899 2.531 -6.521 {"}'M' greentint -9.009 2.298 -6.531 {"}'M' greentint -9.183 2.107 -6.54 {"}'M' greentint -9.405 1.976 -6.546 {"}'M' greentint -8.863 2.786 -6.51 {"}'M' greentint -9.07 2.514 -6.315 {"}'M' greentint -9.206 2.293 -6.324 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 109 A}'M' sea -9.728 1.344 -5.169 {"}'M' green -9.654 1.591 -5.158 {"}'M' green -9.51 1.805 -5.149 {"}'M' green -9.836 1.212 -4.934 {"}'M' green -9.353 2.048 -4.897 {"}'M' green -9.861 1.068 -4.681 {"}'M' green -9.303 2.102 -4.636 {"}'M' green -9.836 1.19 -4.416 {"}'M' green -9.353 2.025 -4.38 {"}'M' green -9.728 1.3 -4.17 {"}'M' green -9.51 1.762 -4.15 {"}'M' sea -9.31 1.924 -4.143 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 109 A}'M' greentint -9.803 1.462 -4.923 {"}'M' greentint -9.707 1.695 -4.913 {"}'M' greentint -9.553 1.895 -4.904 {"}'M' greentint -9.863 1.318 -4.67 {"}'M' greentint -9.803 1.561 -4.659 {"}'M' greentint -9.684 1.782 -4.65 {"}'M' greentint -9.514 1.966 -4.642 {"}'M' greentint -9.803 1.439 -4.406 {"}'M' greentint -9.707 1.672 -4.395 {"}'M' greentint -9.553 1.872 -4.387 {"}'M' greentint -9.654 1.547 -4.159 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 122 A}'M' sea -9.567 2.049 -5.106 {"}'M' green -9.643 1.807 -5.117 {"}'M' green -9.766 1.586 -5.127 {"}'M' sea -9.932 1.394 -5.135 {"}'M' green -9.471 2.044 -4.866 {"}'M' sea -10.007 1.2 -4.902 {"}'M' green -9.955 1.168 -4.65 {"}'M' green -9.423 2.021 -4.354 {"}'M' green -9.948 1.162 -4.391 {"}'M' sea -9.473 2.003 -4.1 {"}'M' green -9.545 1.757 -4.111 {"}'M' green -9.662 1.53 -4.121 {"}'M' green -9.82 1.329 -4.13 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 122 A}'M' greentint -9.542 1.798 -4.876 {"}'M' greentint -9.658 1.57 -4.886 {"}'M' greentint -9.815 1.368 -4.895 {"}'M' greentint -9.425 2.024 -4.612 {"}'M' greentint -9.495 1.777 -4.623 {"}'M' greentint -9.61 1.546 -4.633 {"}'M' greentint -9.765 1.341 -4.642 {"}'M' greentint -9.492 1.773 -4.365 {"}'M' greentint -9.605 1.542 -4.375 {"}'M' greentint -9.759 1.336 -4.384 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ile A 58 1bgvA_60F_76G}P -12.081 -1.632 0.818 {"}-12.081 -1.632 0.818 { ca ile A 58 1bgvA_60F_76G}-11.154 -2.036 -0.239 { c ile A 58 1bgvA_60F_76G}-10.861 -0.77 -1.057 { o ile A 58 1bgvA_60F_76G}-11.811 -0.078 -1.478 { c ile A 58 1bgvA_60F_76G}P -10.861 -0.77 -1.057 { n glu A 59 1bgvA_60F_76G}-9.582 -0.505 -1.312 { ca glu A 59 1bgvA_60F_76G}-9.229 0.584 -2.253 { c glu A 59 1bgvA_60F_76G}-8.361 -0.069 -3.305 { o glu A 59 1bgvA_60F_76G}-7.5 -0.888 -2.944 { c glu A 59 1bgvA_60F_76G}P -8.361 -0.069 -3.305 { n phe A 60 1bgvA_60F_76G}-8.432 0.387 -4.557 { ca phe A 60 1bgvA_60F_76G}-7.554 -0.227 -5.541 { c phe A 60 1bgvA_60F_76G}-7.188 0.732 -6.667 { o phe A 60 1bgvA_60F_76G}-7.946 1.662 -6.992 { c phe A 60 1bgvA_60F_76G}P -7.188 0.732 -6.667 { n arg A 61 1bgvA_60F_76G}-6.093 0.386 -7.323 { ca arg A 61 1bgvA_60F_76G}-5.543 1.17 -8.457 { c arg A 61 1bgvA_60F_76G}-6.43 0.945 -9.669 { o arg A 61 1bgvA_60F_76G}-6.828 -0.198 -9.894 { c arg A 61 1bgvA_60F_76G}P -6.43 0.945 -9.669 { n val A 62 1bgvA_60F_76G}-6.686 1.972 -10.497 { ca val A 62 1bgvA_60F_76G}-7.457 1.753 -11.732 { c val A 62 1bgvA_60F_76G}-6.759 2.461 -12.903 { o val A 62 1bgvA_60F_76G}-7.072 3.607 -13.145 { n asn A 74 1bgvA_60F_76G}P -6.643 6.141 -11.773 {"}-6.643 6.141 -11.773 { ca asn A 74 1bgvA_60F_76G}-7.531 6.615 -10.716 { c asn A 74 1bgvA_60F_76G}-7.575 5.594 -9.613 { o asn A 74 1bgvA_60F_76G}-6.884 4.586 -9.672 { c asn A 74 1bgvA_60F_76G}P -7.575 5.594 -9.613 { n thr A 75 1bgvA_60F_76G}-8.33 5.927 -8.585 { ca thr A 75 1bgvA_60F_76G}-8.343 5.071 -7.432 { c thr A 75 1bgvA_60F_76G}-9.799 4.666 -7.294 { o thr A 75 1bgvA_60F_76G}-10.704 5.493 -7.495 { c thr A 75 1bgvA_60F_76G}P -9.799 4.666 -7.294 { n gly A 76 1bgvA_60F_76G}-10.038 3.376 -6.97 { ca gly A 76 1bgvA_60F_76G}-11.403 2.787 -6.775 { c gly A 76 1bgvA_60F_76G}-11.603 2.44 -5.265 { o gly A 76 1bgvA_60F_76G}-10.628 2.192 -4.53 { c gly A 76 1bgvA_60F_76G}P -11.603 2.44 -5.265 { n tyr A 77 1bgvA_60F_76G}-12.841 2.558 -4.787 { ca tyr A 77 1bgvA_60F_76G}-13.143 2.302 -3.38 { c tyr A 77 1bgvA_60F_76G}-14.374 1.412 -3.339 { o tyr A 77 1bgvA_60F_76G}-15.323 1.604 -4.096 { c tyr A 77 1bgvA_60F_76G}P -14.374 1.412 -3.339 { n arg A 78 1bgvA_60F_76G}-14.457 0.604 -2.276 { ca arg A 78 1bgvA_60F_76G}-15.755 0.012 -1.938 { c arg A 78 1bgvA_60F_76G}-15.658 -0.149 -0.404 { o arg A 78 1bgvA_60F_76G}-14.776 -0.849 0.092 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ile A 58 1bgvA_60F_76G}P -12.081 -1.632 0.818 { ca ile A 58 1bgvA_60F_76G}P -11.154 -2.036 -0.239 { n glu A 59 1bgvA_60F_76G}P -9.582 -0.505 -1.312 { ca glu A 59 1bgvA_60F_76G}P -9.229 0.584 -2.253 { n phe A 60 1bgvA_60F_76G}P -8.432 0.387 -4.557 { ca phe A 60 1bgvA_60F_76G}P -7.554 -0.227 -5.541 { n arg A 61 1bgvA_60F_76G}P -6.093 0.386 -7.323 { ca arg A 61 1bgvA_60F_76G}P -5.543 1.17 -8.457 { n val A 62 1bgvA_60F_76G}P -6.686 1.972 -10.497 { ca val A 62 1bgvA_60F_76G}P -7.457 1.753 -11.732 { n asn A 74 1bgvA_60F_76G}P -6.643 6.141 -11.773 { ca asn A 74 1bgvA_60F_76G}P -7.531 6.615 -10.716 { n thr A 75 1bgvA_60F_76G}P -8.33 5.927 -8.585 { ca thr A 75 1bgvA_60F_76G}P -8.343 5.071 -7.432 { n gly A 76 1bgvA_60F_76G}P -10.038 3.376 -6.97 { ca gly A 76 1bgvA_60F_76G}P -11.403 2.787 -6.775 {"}P -11.403 2.787 -6.775 { n tyr A 77 1bgvA_60F_76G}P -12.841 2.558 -4.787 { ca tyr A 77 1bgvA_60F_76G}P -13.143 2.302 -3.38 { n arg A 78 1bgvA_60F_76G}P -14.457 0.604 -2.276 { ca arg A 78 1bgvA_60F_76G}P -15.755 0.012 -1.938 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ile A 58 1bgvA_60F_76G}P -11.154 -2.036 -0.239 {"}-11.154 -2.036 -0.239 { ca glu A 59 1bgvA_60F_76G}-9.229 0.584 -2.253 { ca phe A 60 1bgvA_60F_76G}-7.554 -0.227 -5.541 { ca arg A 61 1bgvA_60F_76G}-5.543 1.17 -8.457 { ca val A 62 1bgvA_60F_76G}-7.457 1.753 -11.732 { ca asn A 74 1bgvA_60F_76G}-7.531 6.615 -10.716 { ca thr A 75 1bgvA_60F_76G}-8.343 5.071 -7.432 { ca gly A 76 1bgvA_60F_76G}-11.403 2.787 -6.775 { ca tyr A 77 1bgvA_60F_76G}-13.143 2.302 -3.38 { ca arg A 78 1bgvA_60F_76G}-15.755 0.012 -1.938 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ile A 58 1bgvA_60F_76G}P -11.154 -2.036 -0.239 { ca glu A 59 1bgvA_60F_76G}P -9.229 0.584 -2.253 { ca phe A 60 1bgvA_60F_76G}P -7.554 -0.227 -5.541 { cb phe A 60 1bgvA_60F_76G}-8.214 -1.52 -6.144 { cg phe A 60 1bgvA_60F_76G}-9.671 -1.331 -6.543 { cd1 phe A 60 1bgvA_60F_76G}-10.684 -1.342 -5.579 { ce1 phe A 60 1bgvA_60F_76G}-12.041 -1.19 -5.917 { cz phe A 60 1bgvA_60F_76G}-12.391 -0.97 -7.226 { cg phe A 60 1bgvA_60F_76G}P -9.671 -1.331 -6.543 { cd2 phe A 60 1bgvA_60F_76G}-10.047 -1.084 -7.888 { ce2 phe A 60 1bgvA_60F_76G}-11.403 -0.942 -8.226 { cz phe A 60 1bgvA_60F_76G}ghost -12.391 -0.97 -7.226 { ca arg A 61 1bgvA_60F_76G}P -5.543 1.17 -8.457 { ca val A 62 1bgvA_60F_76G}P -7.457 1.753 -11.732 { ca asn A 74 1bgvA_60F_76G}P -7.531 6.615 -10.716 { ca thr A 75 1bgvA_60F_76G}P -8.343 5.071 -7.432 { ca tyr A 77 1bgvA_60F_76G}P -13.143 2.302 -3.38 { ca arg A 78 1bgvA_60F_76G}P -15.755 0.012 -1.938 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 60 1bgvA_60F_76G}P -8.214 -1.52 -6.144 {"}P -8.214 -1.52 -6.144 { cd1 phe A 60 1bgvA_60F_76G}P -10.684 -1.342 -5.579 { cd2 phe A 60 1bgvA_60F_76G}P -10.047 -1.084 -7.888 { ce1 phe A 60 1bgvA_60F_76G}P -12.041 -1.19 -5.917 { ce2 phe A 60 1bgvA_60F_76G}P -11.403 -0.942 -8.226 { cz phe A 60 1bgvA_60F_76G}P -12.391 -0.97 -7.226 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 60 1bgvA_60F_76G}P -7.554 -0.227 -5.541 { cb phe A 60 1bgvA_60F_76G}-8.214 -1.52 -6.144 { cg phe A 60 1bgvA_60F_76G}-9.671 -1.331 -6.543 { cd1 phe A 60 1bgvA_60F_76G}-10.684 -1.342 -5.579 { ce1 phe A 60 1bgvA_60F_76G}-12.041 -1.19 -5.917 { cz phe A 60 1bgvA_60F_76G}-12.391 -0.97 -7.226 { cg phe A 60 1bgvA_60F_76G}P -9.671 -1.331 -6.543 { cd2 phe A 60 1bgvA_60F_76G}-10.047 -1.084 -7.888 { ce2 phe A 60 1bgvA_60F_76G}-11.403 -0.942 -8.226 { cz phe A 60 1bgvA_60F_76G}ghost -12.391 -0.97 -7.226 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 60 1bgvA_60F_76G}P -8.214 -1.52 -6.144 {"}P -8.214 -1.52 -6.144 { cd1 phe A 60 1bgvA_60F_76G}P -10.684 -1.342 -5.579 { cd2 phe A 60 1bgvA_60F_76G}P -10.047 -1.084 -7.888 { ce1 phe A 60 1bgvA_60F_76G}P -12.041 -1.19 -5.917 { ce2 phe A 60 1bgvA_60F_76G}P -11.403 -0.942 -8.226 { cz phe A 60 1bgvA_60F_76G}P -12.391 -0.97 -7.226 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 60 A}'P' sky -11.791 0.763 -8.282 {"}'P' sky -11.273 0.802 -8.281 {"}'P' sky -11.015 0.763 -8.282 {"}'P' sky -12.048 0.672 -8.025 {"}'P' blue -10.773 0.678 -8.024 {"}'P' sky -10.826 0.645 -7.767 {"}'P' sky -10.907 0.58 -7.52 {"}'P' sky -11.084 0.5 -7.287 { CZ PHE 60 A}'P' blue -12.391 0.685 -7.794 {"}'P' sky -12.136 0.665 -7.795 {"}'P' sky -12.521 0.774 -7.281 {"}'P' blue -12.53 0.762 -7.019 {"}'P' blue -11.309 0.393 -7.036 {"}'P' blue -12.326 0.716 -6.763 {"}'P' sky -12.066 0.686 -6.764 {"}'P' sky -11.814 0.617 -6.767 {"}'P' sky -11.576 0.51 -6.772 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 60 A}'P' sea -11.533 0.802 -8.281 {"}'P' sea -11.799 0.75 -8.021 {"}'P' green -11.542 0.79 -8.019 {"}'P' green -11.281 0.791 -8.019 {"}'P' sea -11.023 0.754 -8.021 {"}'P' green -11.855 0.685 -7.765 {"}'P' green -11.599 0.734 -7.763 {"}'P' green -11.338 0.744 -7.763 {"}'P' green -11.078 0.714 -7.764 {"}'P' green -11.666 0.636 -7.517 {"}'P' green -11.411 0.658 -7.516 {"}'P' green -11.156 0.639 -7.517 {"}'P' sea -11.339 0.533 -7.286 { CZ PHE 60 A}'P' sea -12.334 0.751 -7.541 {"}'P' green -12.074 0.722 -7.542 {"}'P' green -11.822 0.654 -7.545 {"}'P' sea -12.261 0.774 -7.281 {"}'P' green -12.003 0.735 -7.282 {"}'P' green -11.753 0.659 -7.286 {"}'P' sea -11.518 0.546 -7.291 {"}'P' sea -12.269 0.763 -7.019 {"}'P' green -12.011 0.726 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1cb8A_578Y_473}ghost -12.496 1.438 -8.569 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 578 1cb8A_578Y_473}P -9.188 -0.938 -7.089 {"}P -9.188 -0.938 -7.089 { cd1 tyr A 578 1cb8A_578Y_473}P -10.172 0.797 -8.685 { cd2 tyr A 578 1cb8A_578Y_473}P -11.608 -0.204 -7.041 { ce1 tyr A 578 1cb8A_578Y_473}P -11.245 1.566 -9.168 { ce2 tyr A 578 1cb8A_578Y_473}P -12.687 0.558 -7.515 { oh tyr A 578 1cb8A_578Y_473}P -13.54 2.227 -8.964 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CD2 TYR 578 A}'P' green -11.283 1.452 -6.579 {"}'P' green -11.361 1.377 -6.332 {"}'P' green -11.289 1.238 -6.102 {"}'P' green -11.551 1.114 -5.891 { CZ TYR 578 A}'P' green -12.759 2.324 -7.083 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CD2 TYR 578 A}'P' P -11.616 1.396 -6.331 {"}'P' -11.616 1.32 -6.365 {"}'P' P -11.801 1.26 -6.101 {"}'P' -11.791 1.185 -6.15 {"}'P' P -11.544 1.271 -6.101 {"}'P' -11.545 1.239 -6.121 {"}'P' P -12.063 1.037 -5.895 {"}'P' -12.061 1.032 -5.9 {"}'P' P -11.811 1.1 -5.892 {"}'P' -11.809 1.088 -5.903 { CE2 TYR 578 A}'P' P -12.95 2.136 -6.806 {"}'P' -12.948 2.126 -6.811 {"}'P' P -12.695 2.158 -6.805 {"}'P' -12.695 2.072 -6.843 {"}'P' P -12.44 2.139 -6.806 {"}'P' -12.462 2.001 -6.868 {"}'P' P -12.191 2.08 -6.809 {"}'P' -12.241 1.929 -6.879 {"}'P' P -11.955 1.984 -6.813 {"}'P' -12.019 1.858 -6.875 {"}'P' P -11.736 1.852 -6.819 {"}'P' -11.789 1.779 -6.857 {"}'P' P -11.541 1.687 -6.826 {"}'P' -11.551 1.676 -6.832 {"}'P' P -13.131 1.968 -6.578 {"}'P' -13.131 1.967 -6.578 {"}'P' P -12.88 2.022 -6.575 {"}'P' -12.868 1.931 -6.633 {"}'P' P -11.686 1.656 -6.591 {"}'P' -11.758 1.577 -6.658 {"}'P' P -13.142 1.799 -6.369 {"}'P' -13.138 1.787 -6.38 {"}'P' P -12.89 1.862 -6.366 {"}'P' -12.874 1.76 -6.456 {"}'P' P -11.703 1.46 -6.383 {"}'P' -11.77 1.398 -6.461 {"}'P' P -13.128 1.607 -6.185 {"}'P' -13.126 1.604 -6.189 {"}'P' P -12.88 1.676 -6.182 {"}'P' -12.866 1.595 -6.279 {"}'P' P -11.916 1.408 -6.194 {"}'P' -11.991 1.326 -6.322 {"}'P' P -12.95 1.444 -6.029 {"}'P' -12.945 1.426 -6.06 {"}'P' P -12.695 1.48 -6.027 {"}'P' -12.695 1.408 -6.143 {"}'P' P -12.44 1.448 -6.029 {"}'P' -12.466 1.353 -6.188 {"}'P' P -12.201 1.352 -6.033 {"}'P' -12.248 1.276 -6.175 {"}'P' P -11.996 1.197 -6.04 {"}'P' -12.03 1.166 -6.112 {"}'P' P -12.819 1.236 -5.907 {"}'P' -12.819 1.236 -5.908 {"}'P' P -12.555 1.236 -5.907 {"}'P' -12.56 1.211 -5.968 {"}'P' P -12.307 1.146 -5.911 {"}'P' -12.32 1.127 -5.964 { CZ TYR 578 A}'P' P -12.504 2.36 -7.081 {"}'P' -12.504 2.357 -7.086 {"}'P' P -12.249 2.328 -7.083 {"}'P' -12.254 2.311 -7.112 {"}'P' P -12.01 2.232 -7.087 {"}'P' -12.02 2.216 -7.117 {"}'P' P -11.805 2.077 -7.094 {"}'P' -11.808 2.074 -7.101 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { CE2 TYR 578 A}'P' P -12.623 2.033 -6.575 {"}'P' -12.63 1.864 -6.683 {"}'P' P -12.368 2 -6.576 {"}'P' -12.415 1.786 -6.716 {"}'P' P -12.122 1.925 -6.579 {"}'P' -12.208 1.717 -6.721 {"}'P' P -11.892 1.809 -6.585 {"}'P' -11.99 1.656 -6.699 {"}'P' P -12.63 1.876 -6.365 {"}'P' -12.638 1.694 -6.524 {"}'P' P -12.372 1.841 -6.367 {"}'P' -12.428 1.616 -6.568 {"}'P' P -12.126 1.757 -6.37 {"}'P' -12.223 1.551 -6.567 {"}'P' P -11.9 1.629 -6.376 {"}'P' -12.003 1.489 -6.524 {"}'P' P -12.623 1.689 -6.182 {"}'P' -12.631 1.543 -6.355 {"}'P' P -12.369 1.648 -6.183 {"}'P' -12.419 1.474 -6.396 {"}'P' P -12.129 1.553 -6.188 {"}'P' -12.211 1.408 -6.381 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 473 A}'P' green -11.696 1.984 -7.06 {"}'P' green -11.351 1.508 -6.534 {"}'P' green -11.383 1.293 -6.035 {"}'P' green -11.638 1.149 -5.781 {"}'P' green -11.878 1.063 -5.784 {"}'P' green -12.132 1.033 -5.786 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 473 A}'P' P -12.14 2.235 -7.165 {"}'P' -12.14 2.233 -7.117 {"}'P' P -12.01 2.009 -7.145 {"}'P' -12.018 2.019 -7.076 {"}'P' P -12.27 2.009 -7.145 {"}'P' -12.259 2.023 -7.047 {"}'P' P -12.4 2.234 -7.136 {"}'P' -12.388 2.231 -7.083 {"}'P' P -11.879 1.795 -7.068 {"}'P' -11.902 1.829 -6.974 {"}'P' P -12.132 1.723 -7.071 {"}'P' -12.133 1.799 -6.894 {"}'P' P -12.575 1.969 -7.061 {"}'P' -12.526 1.993 -6.941 {"}'P' P -12.648 2.222 -7.049 {"}'P' -12.64 2.221 -7.034 {"}'P' P -11.581 1.755 -6.93 {"}'P' -11.586 1.759 -6.923 {"}'P' P -11.775 1.593 -6.937 {"}'P' -11.815 1.657 -6.835 {"}'P' P -12.825 1.975 -6.921 {"}'P' -12.765 1.993 -6.839 {"}'P' P -11.535 1.531 -6.755 {"}'P' -11.551 1.548 -6.735 {"}'P' P -11.752 1.388 -6.761 {"}'P' -11.801 1.487 -6.666 {"}'P' P -12.905 1.715 -6.747 {"}'P' -12.792 1.784 -6.636 {"}'P' P -13.015 1.95 -6.736 {"}'P' -12.97 1.962 -6.698 {"}'P' P -11.541 1.339 -6.541 {"}'P' -11.573 1.385 -6.512 {"}'P' P -11.766 1.221 -6.546 {"}'P' -11.807 1.327 -6.486 {"}'P' P -12.929 1.508 -6.534 {"}'P' -12.807 1.613 -6.45 {"}'P' P -13.073 1.717 -6.525 {"}'P' -13.003 1.752 -6.484 {"}'P' P -11.422 1.309 -6.295 {"}'P' -11.439 1.329 -6.288 {"}'P' P -11.638 1.172 -6.301 {"}'P' -11.678 1.253 -6.276 {"}'P' P -11.878 1.086 -6.305 {"}'P' -11.905 1.199 -6.273 {"}'P' P -12.132 1.056 -6.306 {"}'P' -12.133 1.215 -6.262 {"}'P' P -12.386 1.083 -6.305 {"}'P' -12.344 1.269 -6.252 {"}'P' P -12.628 1.165 -6.301 {"}'P' -12.546 1.336 -6.25 {"}'P' P -12.845 1.299 -6.295 {"}'P' -12.75 1.418 -6.255 {"}'P' P -13.027 1.478 -6.287 {"}'P' -12.959 1.532 -6.265 {"}'P' P -13.164 1.694 -6.278 {"}'P' -13.162 1.694 -6.277 {"}'P' P -11.592 1.151 -6.041 {"}'P' -11.607 1.18 -6.04 {"}'P' P -11.827 1.058 -6.045 {"}'P' -11.844 1.119 -6.042 {"}'P' P -12.077 1.017 -6.047 {"}'P' -12.08 1.07 -6.045 {"}'P' P -12.329 1.031 -6.046 {"}'P' -12.316 1.112 -6.043 {"}'P' P -12.573 1.098 -6.043 {"}'P' -12.54 1.181 -6.04 {"}'P' P -12.797 1.217 -6.038 {"}'P' -12.76 1.27 -6.036 {"}'P' P -12.989 1.38 -6.031 {"}'P' -12.98 1.389 -6.031 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { HA3 GLY 473 A}'P' P -12.386 1.787 -7.068 {"}'P' -12.343 1.856 -6.881 {"}'P' P -12.013 1.506 -6.941 {"}'P' -12.038 1.637 -6.758 {"}'P' P -12.267 1.506 -6.941 {"}'P' -12.236 1.67 -6.713 {"}'P' P -12.505 1.593 -6.937 {"}'P' -12.419 1.732 -6.716 {"}'P' P -12.699 1.755 -6.93 {"}'P' -12.599 1.832 -6.764 {"}'P' P -12.002 1.312 -6.764 {"}'P' -12.03 1.493 -6.605 {"}'P' P -12.262 1.31 -6.764 {"}'P' -12.23 1.536 -6.566 {"}'P' P -12.512 1.381 -6.761 {"}'P' -12.414 1.594 -6.558 {"}'P' P -12.733 1.52 -6.755 {"}'P' -12.6 1.668 -6.585 {"}'P' P -12.013 1.161 -6.549 {"}'P' -12.036 1.347 -6.448 {"}'P' P -12.267 1.161 -6.549 {"}'P' -12.238 1.395 -6.422 {"}'P' P -12.514 1.221 -6.546 {"}'P' -12.424 1.453 -6.414 {"}'P' P -12.739 1.339 -6.541 {"}'P' -12.611 1.52 -6.425 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 578 A}'M' green -8.761 3.281 -6.171 {"}'M' green -9.021 2.71 -5.735 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 578 A}'M' greentint -9.289 2.759 -6.961 {"}'M' greentint -9.151 2.975 -6.952 {"}'M' greentint -9.458 2.395 -6.723 {"}'M' greentint -9.388 2.642 -6.712 {"}'M' greentint -9.273 2.872 -6.702 {"}'M' greentint -9.118 3.077 -6.693 {"}'M' greentint -8.928 3.25 -6.686 {"}'M' greentint -9.46 2.375 -6.465 {"}'M' greentint -9.391 2.623 -6.454 {"}'M' greentint -9.278 2.854 -6.444 {"}'M' greentint -9.124 3.06 -6.435 {"}'M' greentint -8.935 3.234 -6.428 {"}'M' greentint -9.428 2.244 -6.217 {"}'M' greentint -9.38 2.495 -6.206 {"}'M' greentint -9.285 2.733 -6.195 {"}'M' greentint -9.146 2.948 -6.186 {"}'M' greentint -8.97 3.133 -6.178 {"}'M' greentint -9.286 2.473 -5.966 {"}'M' greentint -9.188 2.706 -5.955 {"}'M' greentint -9.044 2.915 -5.946 {"}'M' greentint -8.861 3.091 -5.939 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 473 A}'M' greentint -9.114 2.943 -6.966 {"}'M' greentint -9.25 2.722 -6.975 {"}'M' greentint -8.943 2.942 -6.758 {"}'M' greentint -9.053 2.708 -6.769 {"}'M' greentint -9.227 2.518 -6.777 {"}'M' greentint -9.449 2.386 -6.783 {"}'M' greentint -8.907 3.197 -6.747 {"}'M' greentint -8.84 2.929 -6.517 {"}'M' greentint -8.936 2.696 -6.528 {"}'M' greentint -9.09 2.496 -6.536 {"}'M' greentint -9.29 2.343 -6.543 {"}'M' greentint -8.807 3.178 -6.507 {"}'M' greentint -8.802 2.926 -6.259 {"}'M' greentint -8.893 2.693 -6.269 {"}'M' greentint -9.039 2.489 -6.278 {"}'M' greentint -9.23 2.328 -6.285 {"}'M' greentint -8.773 3.175 -6.248 {"}'M' greentint -8.84 2.906 -6 {"}'M' greentint -8.936 2.673 -6.01 {"}'M' greentint -9.09 2.473 -6.019 {"}'M' greentint -9.29 2.32 -6.026 {"}'M' greentint -8.807 3.156 -5.989 {"}'M' greentint -9.053 2.665 -5.769 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 578 A}'M' greentint -9.607 1.993 -5.127 {"}'M' greentint -9.938 1.727 -4.88 {"}'M' greentint -9.768 1.911 -4.872 {"}'M' greentint -9.557 2.047 -4.866 {"}'M' greentint -9.319 2.126 -4.862 {"}'M' greentint -9.961 1.617 -4.625 {"}'M' greentint -9.807 1.817 -4.617 {"}'M' greentint -9.607 1.97 -4.61 {"}'M' greentint -9.374 2.067 -4.606 {"}'M' greentint -9.124 2.1 -4.604 {"}'M' greentint -9.908 1.492 -4.389 {"}'M' greentint -9.764 1.707 -4.38 {"}'M' greentint -9.564 1.869 -4.373 {"}'M' greentint -9.325 1.966 -4.369 {"}'M' greentint -9.068 1.988 -4.368 {"}'M' greentint -9.725 1.487 -4.182 {"}'M' greentint -9.55 1.679 -4.174 {"}'M' greentint -9.318 1.795 -4.169 {"}'M' greentint -9.059 1.819 -4.168 {"}'M' greentint -9.381 1.537 -4.021 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 473 A}'M' green -10.023 1.362 -4.496 {"}'M' green -9.248 1.577 -3.974 {"}'M' green -9.466 1.44 -3.98 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 473 A}'M' greentint -9.451 2.045 -5.119 {"}'M' greentint -9.661 1.897 -5.125 {"}'M' greentint -9.234 2.015 -4.929 {"}'M' greentint -9.421 1.835 -4.937 {"}'M' greentint -9.645 1.704 -4.942 {"}'M' greentint -9.893 1.628 -4.946 {"}'M' greentint -9.066 2.001 -4.71 {"}'M' greentint -9.232 1.809 -4.718 {"}'M' greentint -9.432 1.654 -4.725 {"}'M' greentint -9.66 1.542 -4.73 {"}'M' greentint -9.905 1.479 -4.732 {"}'M' greentint -8.958 1.985 -4.469 {"}'M' greentint -9.115 1.783 -4.478 {"}'M' greentint -9.307 1.615 -4.485 {"}'M' greentint -9.528 1.485 -4.491 {"}'M' greentint -9.77 1.4 -4.495 {"}'M' greentint -9.065 1.756 -4.225 {"}'M' greentint -9.255 1.583 -4.233 {"}'M' greentint -9.474 1.448 -4.238 {"}'M' greentint -9.714 1.355 -4.243 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n tyr A 183 1dg6A_185Y_276}P -11.694 -1.818 1.053 {"}-11.694 -1.818 1.053 { ca tyr A 183 1dg6A_185Y_276}-10.935 -2.302 -0.092 { c tyr A 183 1dg6A_185Y_276}-10.694 -1.111 -1.012 { o tyr A 183 1dg6A_185Y_276}-11.657 -0.447 -1.443 { c tyr A 183 1dg6A_185Y_276}P -10.694 -1.111 -1.012 { n ile A 184 1dg6A_185Y_276}-9.424 -0.835 -1.275 { ca ile A 184 1dg6A_185Y_276}-8.993 0.335 -2.069 { c ile A 184 1dg6A_185Y_276}-8.32 -0.195 -3.324 { o ile A 184 1dg6A_185Y_276}-7.532 -1.157 -3.199 { c ile A 184 1dg6A_185Y_276}P -8.32 -0.195 -3.324 { n tyr A 185 1dg6A_185Y_276}-8.581 0.37 -4.501 { ca tyr A 185 1dg6A_185Y_276}-7.938 -0.142 -5.696 { c tyr A 185 1dg6A_185Y_276}-7.681 1 -6.673 { o tyr A 185 1dg6A_185Y_276}-8.327 2.067 -6.641 { c tyr A 185 1dg6A_185Y_276}P -7.681 1 -6.673 { n ser A 186 1dg6A_185Y_276}-6.767 0.765 -7.618 { ca ser A 186 1dg6A_185Y_276}-6.56 1.689 -8.729 { c ser A 186 1dg6A_185Y_276}-6.078 0.93 -9.934 { o ser A 186 1dg6A_185Y_276}-5.302 -0.032 -9.788 { c ser A 186 1dg6A_185Y_276}P -6.078 0.93 -9.934 { n gln A 187 1dg6A_185Y_276}-6.5 1.387 -11.141 { ca gln A 187 1dg6A_185Y_276}-5.897 0.933 -12.402 { c gln A 187 1dg6A_185Y_276}-5.329 2.177 -13.079 { o gln A 187 1dg6A_185Y_276}-6.01 3.197 -13.179 { n phe A 274 1dg6A_185Y_276}P -8.515 4.558 -13.288 {"}-8.515 4.558 -13.288 { ca phe A 274 1dg6A_185Y_276}-9.547 4.819 -12.284 { c phe A 274 1dg6A_185Y_276}-9.049 4.468 -10.905 { o phe A 274 1dg6A_185Y_276}-7.979 3.844 -10.734 { c phe A 274 1dg6A_185Y_276}P -9.049 4.468 -10.905 { n phe A 275 1dg6A_185Y_276}-9.81 4.875 -9.908 { ca phe A 275 1dg6A_185Y_276}-9.448 4.76 -8.494 { c phe A 275 1dg6A_185Y_276}-10.727 4.604 -7.692 { o phe A 275 1dg6A_185Y_276}-11.687 5.343 -7.961 { c phe A 275 1dg6A_185Y_276}P -10.727 4.604 -7.692 { n gly A 276 1dg6A_185Y_276}-10.768 3.704 -6.739 { ca gly A 276 1dg6A_185Y_276}-12.018 3.517 -6.008 { c gly A 276 1dg6A_185Y_276}-11.752 2.874 -4.672 { o gly A 276 1dg6A_185Y_276}-10.659 2.447 -4.308 { c gly A 276 1dg6A_185Y_276}P -11.752 2.874 -4.672 { n ala A 277 1dg6A_185Y_276}-12.851 2.766 -3.901 { ca ala A 277 1dg6A_185Y_276}-12.791 2.129 -2.603 { c ala A 277 1dg6A_185Y_276}-14.191 1.777 -2.125 { o ala A 277 1dg6A_185Y_276}-15.141 2.495 -2.499 { c ala A 277 1dg6A_185Y_276}P -14.191 1.777 -2.125 { n phe A 278 1dg6A_185Y_276}-14.317 0.777 -1.267 { ca phe A 278 1dg6A_185Y_276}-15.618 0.517 -0.667 { c phe A 278 1dg6A_185Y_276}-15.403 -0.06 0.726 { o phe A 278 1dg6A_185Y_276}-14.426 -0.71 1.001 @vectorlist {mc H} off nobutton color= gray 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1dg6A_185Y_276}P -14.317 0.777 -1.267 { ca phe A 278 1dg6A_185Y_276}P -15.618 0.517 -0.667 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca tyr A 183 1dg6A_185Y_276}P -10.935 -2.302 -0.092 {"}-10.935 -2.302 -0.092 { ca ile A 184 1dg6A_185Y_276}-8.993 0.335 -2.069 { ca tyr A 185 1dg6A_185Y_276}-7.938 -0.142 -5.696 { ca ser A 186 1dg6A_185Y_276}-6.56 1.689 -8.729 { ca gln A 187 1dg6A_185Y_276}-5.897 0.933 -12.402 { ca phe A 274 1dg6A_185Y_276}P -9.547 4.819 -12.284 {"}-9.547 4.819 -12.284 { ca phe A 275 1dg6A_185Y_276}-9.448 4.76 -8.494 { ca gly A 276 1dg6A_185Y_276}-12.018 3.517 -6.008 { ca ala A 277 1dg6A_185Y_276}-12.791 2.129 -2.603 { ca phe A 278 1dg6A_185Y_276}-15.618 0.517 -0.667 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca tyr A 183 1dg6A_185Y_276}P -10.935 -2.302 -0.092 { ca ile A 184 1dg6A_185Y_276}P -8.993 0.335 -2.069 { ca tyr A 185 1dg6A_185Y_276}P -7.938 -0.142 -5.696 { cb tyr A 185 1dg6A_185Y_276}-8.848 -1.217 -6.393 { cg tyr A 185 1dg6A_185Y_276}-10.167 -0.613 -6.859 { cd1 tyr A 185 1dg6A_185Y_276}-11.268 -0.569 -5.986 { ce1 tyr A 185 1dg6A_185Y_276}-12.481 -0.038 -6.382 { cz tyr A 185 1dg6A_185Y_276}-12.584 0.454 -7.674 { oh tyr A 185 1dg6A_185Y_276}-13.791 1.007 -8.028 { cg tyr A 185 1dg6A_185Y_276}P -10.167 -0.613 -6.859 { cd2 tyr A 185 1dg6A_185Y_276}-10.351 -0.139 -8.155 { ce2 tyr A 185 1dg6A_185Y_276}-11.536 0.437 -8.555 { cz tyr A 185 1dg6A_185Y_276}ghost -12.584 0.454 -7.674 { ca ser A 186 1dg6A_185Y_276}P -6.56 1.689 -8.729 { ca gln A 187 1dg6A_185Y_276}P -5.897 0.933 -12.402 { ca phe A 274 1dg6A_185Y_276}P -9.547 4.819 -12.284 { ca phe A 275 1dg6A_185Y_276}P -9.448 4.76 -8.494 { ca ala A 277 1dg6A_185Y_276}P -12.791 2.129 -2.603 { ca phe A 278 1dg6A_185Y_276}P -15.618 0.517 -0.667 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 185 1dg6A_185Y_276}P -8.848 -1.217 -6.393 {"}P -8.848 -1.217 -6.393 { cd1 tyr A 185 1dg6A_185Y_276}P -11.268 -0.569 -5.986 { cd2 tyr A 185 1dg6A_185Y_276}P -10.351 -0.139 -8.155 { ce1 tyr A 185 1dg6A_185Y_276}P -12.481 -0.038 -6.382 { ce2 tyr A 185 1dg6A_185Y_276}P -11.536 0.437 -8.555 { oh tyr A 185 1dg6A_185Y_276}P -13.791 1.007 -8.028 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 185 1dg6A_185Y_276}P -7.938 -0.142 -5.696 { cb tyr A 185 1dg6A_185Y_276}-8.848 -1.217 -6.393 { cg tyr A 185 1dg6A_185Y_276}-10.167 -0.613 -6.859 { cd1 tyr A 185 1dg6A_185Y_276}-11.268 -0.569 -5.986 { ce1 tyr A 185 1dg6A_185Y_276}-12.481 -0.038 -6.382 { cz tyr A 185 1dg6A_185Y_276}-12.584 0.454 -7.674 { oh tyr A 185 1dg6A_185Y_276}-13.791 1.007 -8.028 { cg tyr A 185 1dg6A_185Y_276}P -10.167 -0.613 -6.859 { cd2 tyr A 185 1dg6A_185Y_276}-10.351 -0.139 -8.155 { ce2 tyr A 185 1dg6A_185Y_276}-11.536 0.437 -8.555 { cz tyr A 185 1dg6A_185Y_276}ghost -12.584 0.454 -7.674 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 185 1dg6A_185Y_276}P -8.848 -1.217 -6.393 {"}P -8.848 -1.217 -6.393 { cd1 tyr A 185 1dg6A_185Y_276}P -11.268 -0.569 -5.986 { cd2 tyr A 185 1dg6A_185Y_276}P -10.351 -0.139 -8.155 { ce1 tyr A 185 1dg6A_185Y_276}P -12.481 -0.038 -6.382 { ce2 tyr A 185 1dg6A_185Y_276}P -11.536 0.437 -8.555 { oh tyr A 185 1dg6A_185Y_276}P -13.791 1.007 -8.028 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 185 A}'P' sky -13.126 1.576 -6.181 {"}'P' sky -12.933 1.589 -5.921 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 185 A}'P' sea -13.119 1.591 -6.442 {"}'P' green -12.869 1.667 -6.438 {"}'P' green -12.611 1.706 -6.437 {"}'P' green -12.351 1.706 -6.437 {"}'P' green -12.877 1.654 -6.177 {"}'P' green -12.62 1.694 -6.175 { CZ TYR 185 A}'P' sea -12.714 2.198 -7.729 {"}'P' green -12.98 2.146 -7.469 {"}'P' green -12.204 2.15 -7.469 {"}'P' green -12.007 2.041 -7.215 {"}'P' green -13.331 1.872 -6.972 {"}'P' green -13.266 1.768 -6.741 {"}'P' green -13.039 1.695 -6.528 {"}'P' green -12.269 1.737 -6.526 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ TYR 185 A}'P' P -12.723 2.186 -7.467 {"}'P' -12.721 2.162 -7.47 {"}'P' P -12.462 2.187 -7.467 {"}'P' -12.463 2.176 -7.469 {"}'P' P -13.036 2.081 -7.213 {"}'P' -13.023 2.035 -7.226 {"}'P' P -12.78 2.13 -7.211 {"}'P' -12.769 2.04 -7.236 {"}'P' P -12.519 2.14 -7.211 {"}'P' -12.522 2.052 -7.235 {"}'P' P -12.259 2.11 -7.212 {"}'P' -12.267 2.072 -7.223 {"}'P' P -13.095 1.971 -6.968 {"}'P' -13.08 1.926 -6.989 {"}'P' P -12.847 2.032 -6.965 {"}'P' -12.83 1.931 -7.011 {"}'P' P -12.592 2.054 -6.964 {"}'P' -12.592 1.94 -7.015 {"}'P' P -12.337 2.035 -6.965 {"}'P' -12.349 1.958 -6.999 {"}'P' P -12.088 1.976 -6.968 {"}'P' -12.089 1.973 -6.969 {"}'P' P -13.028 1.864 -6.737 {"}'P' -13.017 1.829 -6.759 {"}'P' P -12.777 1.918 -6.734 {"}'P' -12.766 1.84 -6.784 {"}'P' P -12.52 1.929 -6.734 {"}'P' -12.523 1.852 -6.783 {"}'P' P -12.265 1.896 -6.735 {"}'P' -12.272 1.865 -6.755 {"}'P' P -12.787 1.758 -6.525 {"}'P' -12.785 1.746 -6.536 {"}'P' P -12.527 1.772 -6.524 {"}'P' -12.528 1.758 -6.536 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 185 A}'P' blue -13.417 2.343 -7.84 {"}'P' sky -13.177 2.252 -7.844 {"}'P' blue -13.727 2.334 -7.587 { HH TYR 185 A}'P' sky -13.926 2.355 -7.178 {"}'P' sky -13.977 2.323 -6.921 {"}'P' sky -13.912 2.004 -6.486 {"}'P' sky -13.704 1.847 -6.493 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 185 A}'P' sea -13.474 2.298 -7.588 {"}'P' green -13.232 2.214 -7.592 {"}'P' sea -13.609 2.219 -7.35 {"}'P' green -13.363 2.157 -7.353 {"}'P' green -13.348 1.995 -7.14 { HH TYR 185 A}'P' sea -13.698 2.25 -7.183 {"}'P' green -13.504 2.092 -7.19 {"}'P' green -13.744 2.226 -6.925 {"}'P' green -13.544 2.073 -6.932 {"}'P' green -13.39 1.873 -6.94 {"}'P' sea -13.918 2.189 -6.685 {"}'P' green -13.694 2.062 -6.691 {"}'P' green -13.516 1.874 -6.699 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 276 A}'P' sky -12.95 2.492 -7.666 {"}'P' blue -13.728 2.659 -7.112 {"}'P' blue -13.814 2.639 -6.866 {"}'P' sky -13.813 2.516 -6.61 {"}'P' sky -13.409 1.982 -6.373 {"}'P' sky -13.591 2.161 -6.365 {"}'P' sky -13.078 1.882 -6.13 {"}'P' sky -12.826 1.951 -5.905 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 276 A}'P' green -12.339 2.298 -7.535 {"}'P' green -12.577 2.211 -7.539 {"}'P' green -12.831 2.211 -7.539 {"}'P' sea -13.069 2.298 -7.535 {"}'P' sea -13.263 2.46 -7.528 {"}'P' green -12.099 2.236 -7.353 {"}'P' green -13.297 2.225 -7.353 {"}'P' sea -13.469 2.42 -7.345 {"}'P' green -13.303 2.044 -7.139 {"}'P' green -13.493 2.213 -7.132 {"}'P' sea -13.637 2.422 -7.123 {"}'P' green -13.409 2.004 -6.893 {"}'P' green -13.591 2.183 -6.885 {"}'P' sea -13.728 2.399 -6.876 {"}'P' green -12.156 1.856 -6.639 {"}'P' green -13.137 1.803 -6.641 {"}'P' sea -13.361 1.922 -6.636 {"}'P' green -13.553 2.085 -6.629 {"}'P' sea -13.707 2.286 -6.62 {"}'P' green -12.442 1.768 -6.382 {"}'P' green -12.696 1.738 -6.384 {"}'P' green -12.95 1.765 -6.382 {"}'P' green -12.577 1.821 -6.132 {"}'P' sea -12.831 1.821 -6.132 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 276 A}'P' P -12.316 2.093 -7.359 {"}'P' -12.326 2.113 -7.339 {"}'P' P -12.566 2.017 -7.362 {"}'P' -12.575 2.075 -7.311 {"}'P' P -12.826 2.015 -7.362 {"}'P' -12.819 2.067 -7.316 {"}'P' P -13.076 2.086 -7.359 {"}'P' -13.074 2.092 -7.354 {"}'P' P -12.105 2.044 -7.139 {"}'P' -12.106 2.046 -7.138 {"}'P' P -12.33 1.926 -7.144 {"}'P' -12.357 1.994 -7.105 {"}'P' P -12.577 1.866 -7.147 {"}'P' -12.59 1.972 -7.089 {"}'P' P -12.831 1.866 -7.147 {"}'P' -12.819 1.963 -7.094 {"}'P' P -13.078 1.926 -7.144 {"}'P' -13.06 1.971 -7.119 {"}'P' P -12.202 1.877 -6.899 {"}'P' -12.22 1.914 -6.888 {"}'P' P -12.442 1.791 -6.903 {"}'P' -12.465 1.885 -6.876 {"}'P' P -12.696 1.761 -6.904 {"}'P' -12.697 1.871 -6.874 {"}'P' P -12.95 1.788 -6.903 {"}'P' -12.932 1.866 -6.881 {"}'P' P -13.192 1.87 -6.899 {"}'P' -13.186 1.881 -6.896 {"}'P' P -12.391 1.763 -6.643 {"}'P' -12.401 1.798 -6.642 {"}'P' P -12.641 1.722 -6.645 {"}'P' -12.644 1.78 -6.642 {"}'P' P -12.893 1.736 -6.644 {"}'P' -12.887 1.774 -6.643 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 185 A}'M' green -9.667 2.178 -6.253 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 185 A}'M' greentint -9.621 2.455 -7.008 {"}'M' greentint -9.528 2.693 -6.997 {"}'M' greentint -9.39 2.909 -6.988 {"}'M' greentint -9.215 3.095 -6.98 {"}'M' greentint -9.697 2.329 -6.759 {"}'M' greentint -9.627 2.576 -6.748 {"}'M' greentint -9.512 2.806 -6.738 {"}'M' greentint -9.357 3.011 -6.729 {"}'M' greentint -9.167 3.184 -6.722 {"}'M' greentint -9.699 2.309 -6.501 {"}'M' greentint -9.63 2.557 -6.49 {"}'M' greentint -9.517 2.788 -6.48 {"}'M' greentint -9.363 2.994 -6.471 {"}'M' greentint -9.174 3.168 -6.464 {"}'M' greentint -9.619 2.429 -6.242 {"}'M' greentint -9.524 2.667 -6.231 {"}'M' greentint -9.385 2.882 -6.222 {"}'M' greentint -9.209 3.067 -6.214 {"}'M' greentint -9.525 2.407 -6.002 {"}'M' greentint -9.427 2.64 -5.991 {"}'M' greentint -9.283 2.849 -5.982 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 276 A}'M' greentint -9.178 2.894 -6.968 {"}'M' greentint -9.288 2.66 -6.979 {"}'M' greentint -9.462 2.47 -6.987 {"}'M' greentint -9.142 3.149 -6.957 {"}'M' greentint -9.075 2.881 -6.727 {"}'M' greentint -9.171 2.648 -6.738 {"}'M' greentint -9.325 2.448 -6.746 {"}'M' greentint -9.525 2.295 -6.753 {"}'M' greentint -9.042 3.13 -6.717 {"}'M' greentint -9.037 2.878 -6.469 {"}'M' greentint -9.128 2.645 -6.479 {"}'M' greentint -9.274 2.441 -6.488 {"}'M' greentint -9.465 2.28 -6.495 {"}'M' greentint -9.691 2.171 -6.499 {"}'M' greentint -9.008 3.127 -6.458 {"}'M' greentint -9.075 2.858 -6.21 {"}'M' greentint -9.171 2.625 -6.22 {"}'M' greentint -9.325 2.425 -6.229 {"}'M' greentint -9.525 2.272 -6.236 {"}'M' greentint -9.042 3.108 -6.199 {"}'M' greentint -9.178 2.85 -5.969 {"}'M' greentint -9.288 2.617 -5.979 {"}'M' greentint -9.462 2.426 -5.988 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 185 A}'M' greentint -9.842 1.745 -5.118 {"}'M' greentint -10.135 1.402 -4.892 {"}'M' greentint -10.039 1.635 -4.882 {"}'M' greentint -9.885 1.835 -4.873 {"}'M' greentint -9.685 1.988 -4.866 {"}'M' greentint -9.452 2.084 -4.862 {"}'M' greentint -10.195 1.258 -4.639 {"}'M' greentint -10.135 1.501 -4.628 {"}'M' greentint -10.016 1.722 -4.619 {"}'M' greentint -9.846 1.906 -4.611 {"}'M' greentint -9.635 2.042 -4.605 {"}'M' greentint -9.397 2.121 -4.601 {"}'M' greentint -10.135 1.379 -4.375 {"}'M' greentint -10.039 1.612 -4.364 {"}'M' greentint -9.885 1.812 -4.356 {"}'M' greentint -9.685 1.965 -4.349 {"}'M' greentint -9.452 2.062 -4.345 {"}'M' greentint -10.06 1.24 -4.139 {"}'M' greentint -9.986 1.487 -4.128 {"}'M' greentint -9.842 1.702 -4.119 {"}'M' greentint -9.642 1.864 -4.112 {"}'M' greentint -9.403 1.961 -4.108 {"}'M' greentint -9.803 1.482 -3.921 {"}'M' greentint -9.628 1.674 -3.913 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 276 A}'M' green -9.798 1.773 -5.182 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 276 A}'M' greentint -9.507 1.98 -4.953 {"}'M' greentint -9.63 1.759 -4.963 {"}'M' greentint -9.796 1.567 -4.971 {"}'M' greentint -9.996 1.412 -4.978 {"}'M' greentint -9.406 1.971 -4.712 {"}'M' greentint -9.522 1.743 -4.722 {"}'M' greentint -9.679 1.541 -4.731 {"}'M' greentint -9.871 1.373 -4.738 {"}'M' greentint -10.092 1.243 -4.744 {"}'M' greentint -9.359 1.95 -4.459 {"}'M' greentint -9.474 1.719 -4.469 {"}'M' greentint -9.629 1.514 -4.478 {"}'M' greentint -9.819 1.341 -4.486 {"}'M' greentint -10.038 1.206 -4.491 {"}'M' greentint -9.356 1.946 -4.201 {"}'M' greentint -9.469 1.715 -4.211 {"}'M' greentint -9.623 1.509 -4.22 {"}'M' greentint -9.812 1.335 -4.227 {"}'M' greentint -10.03 1.198 -4.233 {"}'M' greentint -9.526 1.703 -3.957 {"}'M' greentint -9.684 1.502 -3.966 {"}'M' greentint -9.878 1.334 -3.973 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n asp A 65 1eu8A_67F_298G}P -10.106 -3.425 -0.542 {"}-10.106 -3.425 -0.542 { ca asp A 65 1eu8A_67F_298G}-11.103 -2.394 -0.245 { c asp A 65 1eu8A_67F_298G}-10.966 -1.203 -1.175 { o asp A 65 1eu8A_67F_298G}-11.956 -0.616 -1.604 { c asp A 65 1eu8A_67F_298G}P -10.966 -1.203 -1.175 { n val A 66 1eu8A_67F_298G}-9.723 -0.837 -1.455 { ca val A 66 1eu8A_67F_298G}-9.428 0.293 -2.321 { c val A 66 1eu8A_67F_298G}-8.287 -0.147 -3.231 { o val A 66 1eu8A_67F_298G}-7.479 -0.989 -2.846 { c val A 66 1eu8A_67F_298G}P -8.287 -0.147 -3.231 { n phe A 67 1eu8A_67F_298G}-8.211 0.421 -4.429 { ca phe A 67 1eu8A_67F_298G}-7.183 0.005 -5.378 { c phe A 67 1eu8A_67F_298G}-7.073 0.951 -6.57 { o phe A 67 1eu8A_67F_298G}-7.942 1.792 -6.791 { c phe A 67 1eu8A_67F_298G}P -7.073 0.951 -6.57 { n leu A 68 1eu8A_67F_298G}-5.999 0.808 -7.338 { ca leu A 68 1eu8A_67F_298G}-5.815 1.655 -8.507 { c leu A 68 1eu8A_67F_298G}-6.195 0.871 -9.756 { o leu A 68 1eu8A_67F_298G}-5.959 -0.336 -9.837 { c leu A 68 1eu8A_67F_298G}P -6.195 0.871 -9.756 { n met A 69 1eu8A_67F_298G}-6.793 1.571 -10.719 { ca met A 69 1eu8A_67F_298G}-7.215 0.977 -11.982 { c met A 69 1eu8A_67F_298G}-6.628 1.778 -13.138 { o met A 69 1eu8A_67F_298G}-6.579 3.015 -13.107 { n his A 296 1eu8A_67F_298G}P -6.241 5.449 -11.717 {"}-6.241 5.449 -11.717 { ca his A 296 1eu8A_67F_298G}-7.299 6.053 -10.936 { c his A 296 1eu8A_67F_298G}-7.617 5.204 -9.719 { o his A 296 1eu8A_67F_298G}-7.533 3.973 -9.759 { c his A 296 1eu8A_67F_298G}P -7.617 5.204 -9.719 { n ile A 297 1eu8A_67F_298G}-7.997 5.869 -8.637 { ca ile A 297 1eu8A_67F_298G}-8.298 5.173 -7.402 { c ile A 297 1eu8A_67F_298G}-9.807 5.001 -7.204 { o ile A 297 1eu8A_67F_298G}-10.598 5.92 -7.447 { c ile A 297 1eu8A_67F_298G}P -9.807 5.001 -7.204 { n gly A 298 1eu8A_67F_298G}-10.194 3.801 -6.781 { ca gly A 298 1eu8A_67F_298G}-11.596 3.494 -6.564 { c gly A 298 1eu8A_67F_298G}-11.828 2.605 -5.355 { o gly A 298 1eu8A_67F_298G}-10.893 2.011 -4.822 { c gly A 298 1eu8A_67F_298G}P -11.828 2.605 -5.355 { n ile A 299 1eu8A_67F_298G}-13.084 2.515 -4.934 { ca ile A 299 1eu8A_67F_298G}-13.458 1.714 -3.779 { c ile A 299 1eu8A_67F_298G}-14.332 0.529 -4.183 { o ile A 299 1eu8A_67F_298G}-15.279 0.666 -4.952 { c ile A 299 1eu8A_67F_298G}P -14.332 0.529 -4.183 { n ser A 300 1eu8A_67F_298G}-13.999 -0.64 -3.651 { ca ser A 300 1eu8A_67F_298G}-14.747 -1.858 -3.947 { c ser A 300 1eu8A_67F_298G}-16.17 -1.797 -3.409 { o ser A 300 1eu8A_67F_298G}-16.395 -1.385 -2.272 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n asp A 65 1eu8A_67F_298G}P -10.106 -3.425 -0.542 { ca asp A 65 1eu8A_67F_298G}P -11.103 -2.394 -0.245 { n val A 66 1eu8A_67F_298G}P -9.723 -0.837 -1.455 { ca val A 66 1eu8A_67F_298G}P -9.428 0.293 -2.321 { n phe A 67 1eu8A_67F_298G}P -8.211 0.421 -4.429 { ca phe A 67 1eu8A_67F_298G}P -7.183 0.005 -5.378 { n leu A 68 1eu8A_67F_298G}P -5.999 0.808 -7.338 { ca leu A 68 1eu8A_67F_298G}P -5.815 1.655 -8.507 { n met A 69 1eu8A_67F_298G}P -6.793 1.571 -10.719 { ca met A 69 1eu8A_67F_298G}P -7.215 0.977 -11.982 { n his A 296 1eu8A_67F_298G}P -6.241 5.449 -11.717 { ca his A 296 1eu8A_67F_298G}P -7.299 6.053 -10.936 { n ile A 297 1eu8A_67F_298G}P -7.997 5.869 -8.637 { ca ile A 297 1eu8A_67F_298G}P -8.298 5.173 -7.402 { n gly A 298 1eu8A_67F_298G}P -10.194 3.801 -6.781 { ca gly A 298 1eu8A_67F_298G}P -11.596 3.494 -6.564 {"}P -11.596 3.494 -6.564 { n ile A 299 1eu8A_67F_298G}P -13.084 2.515 -4.934 { ca ile A 299 1eu8A_67F_298G}P -13.458 1.714 -3.779 { n ser A 300 1eu8A_67F_298G}P -13.999 -0.64 -3.651 { ca ser A 300 1eu8A_67F_298G}P -14.747 -1.858 -3.947 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca asp A 65 1eu8A_67F_298G}P -11.103 -2.394 -0.245 {"}-11.103 -2.394 -0.245 { ca val A 66 1eu8A_67F_298G}-9.428 0.293 -2.321 { ca phe A 67 1eu8A_67F_298G}-7.183 0.005 -5.378 { ca leu A 68 1eu8A_67F_298G}-5.815 1.655 -8.507 { ca met A 69 1eu8A_67F_298G}-7.215 0.977 -11.982 { ca his A 296 1eu8A_67F_298G}P -7.299 6.053 -10.936 {"}-7.299 6.053 -10.936 { ca ile A 297 1eu8A_67F_298G}-8.298 5.173 -7.402 { ca gly A 298 1eu8A_67F_298G}-11.596 3.494 -6.564 { ca ile A 299 1eu8A_67F_298G}-13.458 1.714 -3.779 { ca ser A 300 1eu8A_67F_298G}-14.747 -1.858 -3.947 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca asp A 65 1eu8A_67F_298G}P -11.103 -2.394 -0.245 { ca val A 66 1eu8A_67F_298G}P -9.428 0.293 -2.321 { ca phe A 67 1eu8A_67F_298G}P -7.183 0.005 -5.378 { ca leu A 68 1eu8A_67F_298G}P -5.815 1.655 -8.507 { ca met A 69 1eu8A_67F_298G}P -7.215 0.977 -11.982 { ca his A 296 1eu8A_67F_298G}P -7.299 6.053 -10.936 { ca ile A 297 1eu8A_67F_298G}P -8.298 5.173 -7.402 { ca ile A 299 1eu8A_67F_298G}P -13.458 1.714 -3.779 { ca ser A 300 1eu8A_67F_298G}P -14.747 -1.858 -3.947 @subgroup {sidechain} off @vectorlist {sc} color= blue alpha= 0.2353 master= {sidechain} { ca phe A 67 1eu8A_67F_298G}P -7.183 0.005 -5.378 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 67 A}'M' green -9.312 2.054 -6.909 {"}'M' green -8.563 3.044 -6.866 {"}'M' green -9.314 2.034 -6.651 {"}'M' green -8.715 2.75 -6.125 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 67 A}'M' greentint -9.143 2.418 -7.147 {"}'M' greentint -9.005 2.634 -7.138 {"}'M' greentint -8.83 2.82 -7.13 {"}'M' greentint -9.242 2.301 -6.898 {"}'M' greentint -9.127 2.531 -6.888 {"}'M' greentint -8.972 2.736 -6.879 {"}'M' greentint -8.782 2.909 -6.872 {"}'M' greentint -9.245 2.282 -6.64 {"}'M' greentint -9.132 2.513 -6.63 {"}'M' greentint -8.978 2.719 -6.621 {"}'M' greentint -8.789 2.893 -6.614 {"}'M' greentint -8.571 3.029 -6.608 {"}'M' greentint -9.234 2.154 -6.392 {"}'M' greentint -9.139 2.392 -6.381 {"}'M' greentint -9 2.607 -6.372 {"}'M' greentint -8.824 2.792 -6.364 {"}'M' greentint -8.615 2.94 -6.357 {"}'M' greentint -9.042 2.365 -6.141 {"}'M' greentint -8.898 2.574 -6.132 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 298 A}'M' green -9.243 2.265 -7.121 {"}'M' green -9.317 2.125 -6.885 {"}'M' green -8.601 3.057 -6.845 {"}'M' green -8.567 3.054 -6.586 {"}'M' green -8.737 2.777 -6.097 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 298 A}'M' greentint -8.737 2.821 -7.096 {"}'M' greentint -8.847 2.587 -7.107 {"}'M' greentint -9.021 2.397 -7.115 {"}'M' greentint -8.634 2.808 -6.855 {"}'M' greentint -8.73 2.575 -6.866 {"}'M' greentint -8.884 2.375 -6.874 {"}'M' greentint -9.084 2.222 -6.881 {"}'M' greentint -8.596 2.805 -6.597 {"}'M' greentint -8.687 2.572 -6.607 {"}'M' greentint -8.833 2.368 -6.616 {"}'M' greentint -9.024 2.207 -6.623 {"}'M' greentint -9.25 2.098 -6.627 {"}'M' greentint -8.634 2.785 -6.338 {"}'M' greentint -8.73 2.552 -6.348 {"}'M' greentint -8.884 2.352 -6.357 {"}'M' greentint -9.084 2.199 -6.364 {"}'M' greentint -8.847 2.544 -6.107 {"}'M' greentint -9.021 2.353 -6.116 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 67 A}'M' green -9.681 1.285 -5.25 {"}'M' green -9.607 1.532 -5.239 {"}'M' green -9.463 1.746 -5.23 {"}'M' sea -9.756 0.904 -5.025 {"}'M' green -9.789 1.153 -5.015 {"}'M' green -9.506 1.836 -4.985 {"}'M' sea -9.306 1.989 -4.978 {"}'M' green -9.814 1.009 -4.762 {"}'M' green -9.467 1.907 -4.723 {"}'M' green -9.789 1.131 -4.497 {"}'M' green -9.506 1.813 -4.468 {"}'M' green -9.681 1.241 -4.251 {"}'M' green -9.607 1.488 -4.24 {"}'M' sea -9.463 1.703 -4.231 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 67 A}'M' greentint -9.756 1.403 -5.004 {"}'M' greentint -9.66 1.636 -4.994 {"}'M' greentint -9.816 1.259 -4.751 {"}'M' greentint -9.756 1.502 -4.74 {"}'M' greentint -9.637 1.723 -4.731 {"}'M' greentint -9.756 1.38 -4.487 {"}'M' greentint -9.66 1.613 -4.476 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 298 A}'M' green -9.569 1.781 -5.216 {"}'M' green -9.64 1.535 -5.226 {"}'M' green -9.756 1.307 -5.236 {"}'M' sea -9.913 1.105 -5.245 {"}'M' green -9.863 1.078 -4.992 {"}'M' green -9.499 2.017 -4.951 {"}'M' green -9.857 1.073 -4.734 {"}'M' green -9.499 2.014 -4.693 {"}'M' green -9.571 1.74 -4.45 {"}'M' green -9.918 1.066 -4.48 {"}'M' sea -9.546 1.994 -4.439 {"}'M' sea -9.664 1.74 -4.209 {"}'M' green -9.738 1.497 -4.22 {"}'M' sea -9.86 1.275 -4.229 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 298 A}'M' greentint -9.523 1.761 -4.962 {"}'M' greentint -9.593 1.514 -4.973 {"}'M' greentint -9.708 1.283 -4.983 {"}'M' greentint -9.521 1.758 -4.704 {"}'M' greentint -9.59 1.51 -4.715 {"}'M' greentint -9.703 1.279 -4.725 {"}'M' greentint -9.643 1.494 -4.461 {"}'M' greentint -9.76 1.267 -4.471 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n gly A 5 1ezmA_15Y_7G}P -6.222 5.914 -11.289 {"}-6.222 5.914 -11.289 { ca gly A 5 1ezmA_15Y_7G}-6.564 6.529 -10.035 { c gly A 5 1ezmA_15Y_7G}-7.342 5.526 -9.198 { o gly A 5 1ezmA_15Y_7G}-7.54 4.374 -9.639 { c gly A 5 1ezmA_15Y_7G}P -7.342 5.526 -9.198 { n pro A 6 1ezmA_15Y_7G}-7.686 5.883 -7.963 { ca pro A 6 1ezmA_15Y_7G}-8.272 4.941 -7.026 { c pro A 6 1ezmA_15Y_7G}-9.723 4.646 -7.348 { o pro A 6 1ezmA_15Y_7G}-10.432 5.346 -8.072 { c pro A 6 1ezmA_15Y_7G}P -9.723 4.646 -7.348 { n gly A 7 1ezmA_15Y_7G}-10.163 3.58 -6.689 { ca gly A 7 1ezmA_15Y_7G}-11.521 3.087 -6.79 { c gly A 7 1ezmA_15Y_7G}-11.747 2.268 -5.511 { o gly A 7 1ezmA_15Y_7G}-10.838 2.055 -4.683 { c gly A 7 1ezmA_15Y_7G}P -11.747 2.268 -5.511 { n gly A 8 1ezmA_15Y_7G}-12.99 1.834 -5.355 { ca gly A 8 1ezmA_15Y_7G}-13.353 1.032 -4.193 { c gly A 8 1ezmA_15Y_7G}-13.912 1.832 -3.041 { o gly A 8 1ezmA_15Y_7G}-14.251 3.03 -3.165 { c gly A 8 1ezmA_15Y_7G}P -13.912 1.832 -3.041 { n asn A 9 1ezmA_15Y_7G}-14.029 1.203 -1.888 { ca asn A 9 1ezmA_15Y_7G}-14.575 1.891 -0.732 { c asn A 9 1ezmA_15Y_7G}-14.117 1.208 0.556 { o asn A 9 1ezmA_15Y_7G}-13.345 0.234 0.524 { n gly A 13 1ezmA_15Y_7G}P -12.444 -2.411 0.012 {"}-12.444 -2.411 0.012 { ca gly A 13 1ezmA_15Y_7G}-11.048 -2.044 -0.056 { c gly A 13 1ezmA_15Y_7G}-10.778 -1.067 -1.191 { o gly A 13 1ezmA_15Y_7G}-11.626 -0.803 -2.032 { c gly A 13 1ezmA_15Y_7G}P -10.778 -1.067 -1.191 { n lys A 14 1ezmA_15Y_7G}-9.577 -0.517 -1.172 { ca lys A 14 1ezmA_15Y_7G}-9.124 0.436 -2.169 { c lys A 14 1ezmA_15Y_7G}-8.3 -0.286 -3.215 { o lys A 14 1ezmA_15Y_7G}-7.601 -1.26 -2.877 { c lys A 14 1ezmA_15Y_7G}P -8.3 -0.286 -3.215 { n tyr A 15 1ezmA_15Y_7G}-8.42 0.096 -4.474 { ca tyr A 15 1ezmA_15Y_7G}-7.635 -0.524 -5.541 { c tyr A 15 1ezmA_15Y_7G}-7.358 0.659 -6.478 { o tyr A 15 1ezmA_15Y_7G}-7.987 1.745 -6.353 { c tyr A 15 1ezmA_15Y_7G}P -7.358 0.659 -6.478 { n thr A 16 1ezmA_15Y_7G}-6.455 0.451 -7.434 { ca thr A 16 1ezmA_15Y_7G}-6.061 1.462 -8.385 { c thr A 16 1ezmA_15Y_7G}-6.137 1.043 -9.823 { o thr A 16 1ezmA_15Y_7G}-5.585 0.006 -10.22 { c thr A 16 1ezmA_15Y_7G}P -6.137 1.043 -9.823 { n tyr A 17 1ezmA_15Y_7G}-6.807 1.87 -10.625 { ca tyr A 17 1ezmA_15Y_7G}-6.951 1.612 -12.055 { c tyr A 17 1ezmA_15Y_7G}-5.572 1.985 -12.614 { o tyr A 17 1ezmA_15Y_7G}-4.968 2.986 -12.208 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n gly A 5 1ezmA_15Y_7G}P -6.222 5.914 -11.289 { ca gly A 5 1ezmA_15Y_7G}P -6.564 6.529 -10.035 {"}P -6.564 6.529 -10.035 { ca pro A 6 1ezmA_15Y_7G}P -8.272 4.941 -7.026 { n gly A 7 1ezmA_15Y_7G}P -10.163 3.58 -6.689 { ca gly A 7 1ezmA_15Y_7G}P -11.521 3.087 -6.79 {"}P -11.521 3.087 -6.79 { n gly A 8 1ezmA_15Y_7G}P -12.99 1.834 -5.355 { ca gly A 8 1ezmA_15Y_7G}P -13.353 1.032 -4.193 {"}P -13.353 1.032 -4.193 { n asn A 9 1ezmA_15Y_7G}P -14.029 1.203 -1.888 { ca asn A 9 1ezmA_15Y_7G}P -14.575 1.891 -0.732 { n gly A 13 1ezmA_15Y_7G}P -12.444 -2.411 0.012 { ca gly A 13 1ezmA_15Y_7G}P -11.048 -2.044 -0.056 {"}P -11.048 -2.044 -0.056 { n lys A 14 1ezmA_15Y_7G}P -9.577 -0.517 -1.172 { ca lys A 14 1ezmA_15Y_7G}P -9.124 0.436 -2.169 { n tyr A 15 1ezmA_15Y_7G}P -8.42 0.096 -4.474 { ca tyr A 15 1ezmA_15Y_7G}P -7.635 -0.524 -5.541 { n thr A 16 1ezmA_15Y_7G}P -6.455 0.451 -7.434 { ca thr A 16 1ezmA_15Y_7G}P -6.061 1.462 -8.385 { n tyr A 17 1ezmA_15Y_7G}P -6.807 1.87 -10.625 { ca tyr A 17 1ezmA_15Y_7G}P -6.951 1.612 -12.055 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca gly A 5 1ezmA_15Y_7G}P -6.564 6.529 -10.035 {"}-6.564 6.529 -10.035 { ca pro A 6 1ezmA_15Y_7G}-8.272 4.941 -7.026 { ca gly A 7 1ezmA_15Y_7G}-11.521 3.087 -6.79 { ca gly A 8 1ezmA_15Y_7G}-13.353 1.032 -4.193 { ca asn A 9 1ezmA_15Y_7G}-14.575 1.891 -0.732 { ca gly A 13 1ezmA_15Y_7G}P -11.048 -2.044 -0.056 {"}-11.048 -2.044 -0.056 { ca lys A 14 1ezmA_15Y_7G}-9.124 0.436 -2.169 { ca tyr A 15 1ezmA_15Y_7G}-7.635 -0.524 -5.541 { ca thr A 16 1ezmA_15Y_7G}-6.061 1.462 -8.385 { ca tyr A 17 1ezmA_15Y_7G}-6.951 1.612 -12.055 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca pro A 6 1ezmA_15Y_7G}P -8.272 4.941 -7.026 { n pro A 6 1ezmA_15Y_7G}P -7.686 5.883 -7.963 { ca asn A 9 1ezmA_15Y_7G}P -14.575 1.891 -0.732 { ca lys A 14 1ezmA_15Y_7G}P -9.124 0.436 -2.169 { ca tyr A 15 1ezmA_15Y_7G}P -7.635 -0.524 -5.541 { ca thr A 16 1ezmA_15Y_7G}P -6.061 1.462 -8.385 { ca tyr A 17 1ezmA_15Y_7G}P -6.951 1.612 -12.055 @subgroup {sidechain} off @vectorlist {sc} color= blue alpha= 0.2353 master= {sidechain} { ca tyr A 15 1ezmA_15Y_7G}P -7.635 -0.524 -5.541 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 15 A}'P' sky -11.496 1.299 -8.581 {"}'P' sky -10.866 1.264 -7.811 {"}'P' sky -10.919 1.231 -7.554 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 15 A}'P' sea -11.956 1.302 -8.33 {"}'P' green -11.7 1.353 -8.328 {"}'P' green -11.439 1.365 -8.328 {"}'P' sea -11.179 1.336 -8.329 {"}'P' sea -12.134 1.273 -8.073 {"}'P' green -11.884 1.349 -8.069 {"}'P' green -11.366 1.388 -8.068 {"}'P' green -11.108 1.349 -8.069 {"}'P' green -12.141 1.258 -7.812 {"}'P' green -11.116 1.34 -7.808 {"}'P' sea -12.194 1.182 -7.556 {"}'P' green -11.948 1.271 -7.552 {"}'P' green -11.171 1.3 -7.551 {"}'P' sea -12.007 1.161 -7.307 {"}'P' green -11.759 1.222 -7.304 {"}'P' green -11.504 1.244 -7.303 {"}'P' sea -11.249 1.225 -7.304 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 TYR 15 A}'P' P -11.626 1.388 -8.068 {"}'P' -11.625 1.375 -8.067 {"}'P' P -11.892 1.336 -7.808 {"}'P' -11.891 1.332 -7.809 {"}'P' P -11.635 1.376 -7.806 {"}'P' -11.632 1.34 -7.811 {"}'P' P -11.374 1.377 -7.806 {"}'P' -11.375 1.358 -7.809 {"}'P' P -11.692 1.32 -7.55 {"}'P' -11.691 1.313 -7.552 {"}'P' P -11.431 1.33 -7.55 {"}'P' -11.431 1.328 -7.55 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 7 A}'P' sky -11.515 1.594 -8.456 {"}'P' sky -11.775 1.592 -8.456 {"}'P' sky -11.054 1.621 -8.233 {"}'P' sky -10.935 1.591 -7.987 {"}'P' sky -10.896 1.575 -7.727 {"}'P' sky -12.31 1.499 -7.73 {"}'P' sky -12.027 1.459 -7.224 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 7 A}'P' green -11.279 1.503 -8.238 {"}'P' green -11.526 1.443 -8.241 {"}'P' green -11.78 1.443 -8.241 {"}'P' sea -12.027 1.503 -8.238 {"}'P' green -11.151 1.454 -7.993 {"}'P' green -11.899 1.365 -7.997 {"}'P' sea -12.141 1.447 -7.993 {"}'P' green -11.105 1.433 -7.733 {"}'P' green -12.086 1.38 -7.735 {"}'P' green -11.151 1.431 -7.473 {"}'P' green -11.391 1.345 -7.476 {"}'P' green -11.645 1.315 -7.478 {"}'P' green -11.899 1.342 -7.476 {"}'P' sea -12.141 1.424 -7.473 {"}'P' sea -11.78 1.398 -7.226 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 7 A}'P' P -11.391 1.368 -7.997 {"}'P' -11.394 1.379 -7.994 {"}'P' P -11.645 1.338 -7.998 {"}'P' -11.645 1.362 -7.991 {"}'P' P -11.34 1.34 -7.737 {"}'P' -11.343 1.352 -7.737 {"}'P' P -11.59 1.299 -7.739 {"}'P' -11.592 1.334 -7.737 {"}'P' P -11.842 1.313 -7.738 {"}'P' -11.84 1.324 -7.738 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 15 A}'M' green -8.608 2.997 -6.428 {"}'M' green -9.359 1.987 -6.213 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 15 A}'M' greentint -9.05 2.587 -6.7 {"}'M' greentint -9.287 2.254 -6.46 {"}'M' greentint -9.172 2.484 -6.45 {"}'M' greentint -9.017 2.689 -6.441 {"}'M' greentint -8.827 2.862 -6.434 {"}'M' greentint -9.29 2.235 -6.202 {"}'M' greentint -9.177 2.466 -6.192 {"}'M' greentint -9.023 2.672 -6.183 {"}'M' greentint -8.834 2.846 -6.176 {"}'M' greentint -8.616 2.982 -6.17 {"}'M' greentint -9.279 2.107 -5.954 {"}'M' greentint -9.184 2.345 -5.943 {"}'M' greentint -9.045 2.56 -5.934 {"}'M' greentint -8.869 2.745 -5.926 {"}'M' greentint -8.66 2.893 -5.919 {"}'M' greentint -9.087 2.318 -5.703 {"}'M' greentint -8.943 2.527 -5.694 {"}'M' greentint -8.76 2.703 -5.687 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 7 A}'M' green -9.336 2.12 -6.373 {"}'M' green -8.62 3.052 -6.333 {"}'M' green -8.866 2.539 -5.595 {"}'M' green -9.04 2.348 -5.604 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 7 A}'M' greentint -8.756 2.816 -6.584 {"}'M' greentint -8.866 2.582 -6.595 {"}'M' greentint -9.04 2.392 -6.603 {"}'M' greentint -9.262 2.26 -6.609 {"}'M' greentint -8.653 2.803 -6.343 {"}'M' greentint -8.749 2.57 -6.354 {"}'M' greentint -8.903 2.37 -6.362 {"}'M' greentint -9.103 2.217 -6.369 {"}'M' greentint -8.615 2.8 -6.085 {"}'M' greentint -8.706 2.567 -6.095 {"}'M' greentint -8.852 2.363 -6.104 {"}'M' greentint -9.043 2.202 -6.111 {"}'M' greentint -9.269 2.093 -6.115 {"}'M' greentint -8.653 2.78 -5.826 {"}'M' greentint -8.749 2.547 -5.836 {"}'M' greentint -8.903 2.347 -5.845 {"}'M' greentint -9.103 2.194 -5.852 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 15 A}'M' green -9.823 1.207 -5.266 {"}'M' green -9.679 1.421 -5.257 {"}'M' green -9.479 1.584 -5.25 {"}'M' green -10.005 0.828 -5.042 {"}'M' green -9.522 1.664 -5.005 {"}'M' green -9.472 1.718 -4.744 {"}'M' green -10.005 0.806 -4.524 {"}'M' green -9.897 0.916 -4.278 {"}'M' green -9.823 1.163 -4.267 {"}'M' green -9.679 1.378 -4.258 {"}'M' green -9.479 1.54 -4.251 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 15 A}'M' greentint -9.972 1.078 -5.031 {"}'M' greentint -9.876 1.311 -5.021 {"}'M' greentint -9.722 1.511 -5.012 {"}'M' greentint -10.032 0.934 -4.778 {"}'M' greentint -9.972 1.177 -4.767 {"}'M' greentint -9.853 1.398 -4.758 {"}'M' greentint -9.683 1.582 -4.75 {"}'M' greentint -9.972 1.055 -4.514 {"}'M' greentint -9.876 1.288 -4.503 {"}'M' greentint -9.722 1.488 -4.495 {"}'M' greentint -9.522 1.641 -4.488 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 7 A}'M' green -9.686 1.588 -5.328 {"}'M' green -9.809 1.367 -5.338 {"}'M' green -9.975 1.175 -5.346 {"}'M' sea -9.514 1.825 -5.077 {"}'M' green -10.05 0.981 -5.113 {"}'M' green -9.468 1.805 -4.823 {"}'M' green -9.466 1.802 -4.565 {"}'M' sea -9.516 1.784 -4.311 {"}'M' green -9.588 1.538 -4.322 {"}'M' green -10.057 0.942 -4.348 {"}'M' green -9.805 1.319 -4.09 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 7 A}'M' greentint -9.585 1.579 -5.087 {"}'M' greentint -9.701 1.351 -5.097 {"}'M' greentint -9.858 1.149 -5.106 {"}'M' greentint -9.538 1.558 -4.834 {"}'M' greentint -9.653 1.327 -4.844 {"}'M' greentint -9.808 1.122 -4.853 {"}'M' greentint -9.998 0.949 -4.861 {"}'M' greentint -9.535 1.554 -4.576 {"}'M' greentint -9.648 1.323 -4.586 {"}'M' greentint -9.802 1.117 -4.595 {"}'M' greentint -9.991 0.943 -4.602 {"}'M' greentint -9.705 1.311 -4.332 {"}'M' greentint -9.863 1.11 -4.341 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 79 A}'P' blue -11.323 0.718 -8.179 {"}'P' blue -11.062 0.73 -8.179 {"}'P' blue -10.802 0.701 -8.18 {"}'P' blue -11.507 0.714 -7.92 {"}'P' sky -11.249 0.753 -7.919 {"}'P' sky -10.989 0.753 -7.919 {"}'P' blue -10.731 0.714 -7.92 {"}'P' blue -11.258 0.741 -7.657 {"}'P' blue -10.997 0.742 -7.657 {"}'P' blue -10.739 0.705 -7.659 {"}'P' blue -11.054 0.695 -7.401 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 8 A}'P' blue -10.796 1.151 -8.161 {"}'P' blue -11.05 1.121 -8.162 {"}'P' blue -11.304 1.148 -8.161 {"}'P' blue -10.745 1.123 -7.901 {"}'P' sky -10.995 1.082 -7.903 {"}'P' sky -11.247 1.096 -7.902 {"}'P' blue -11.491 1.163 -7.899 {"}'P' blue -10.796 1.128 -7.64 {"}'P' blue -11.05 1.098 -7.642 {"}'P' blue -11.304 1.125 -7.64 @subgroup {1->2} dominant @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { O PHE 79 A}'M' P -8.882 2.713 -6.555 {"}'M' -8.877 2.708 -6.555 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 79 A}'M' greentint -8.79 2.412 -7.283 {"}'M' greentint -8.625 2.612 -7.275 {"}'M' greentint -8.418 2.768 -7.268 {"}'M' greentint -9.048 2.171 -7.074 {"}'M' greentint -8.948 2.404 -7.064 {"}'M' greentint -8.803 2.612 -7.055 {"}'M' greentint -8.619 2.786 -7.047 {"}'M' greentint -8.404 2.92 -7.041 {"}'M' greentint -8.166 3.008 -7.038 {"}'M' greentint -9.146 2.157 -6.834 {"}'M' greentint -9.053 2.395 -6.823 {"}'M' greentint -8.915 2.611 -6.814 {"}'M' greentint -8.74 2.797 -6.806 {"}'M' greentint -8.532 2.947 -6.799 {"}'M' greentint -8.3 3.054 -6.794 {"}'M' greentint -9.152 2.278 -6.574 {"}'M' greentint -9.037 2.508 -6.564 {"}'M' greentint -8.692 2.886 -6.548 {"}'M' greentint -8.473 3.021 -6.542 {"}'M' greentint -8.233 3.114 -6.538 {"}'M' greentint -9.155 2.259 -6.316 {"}'M' greentint -9.042 2.49 -6.306 {"}'M' greentint -8.888 2.696 -6.297 {"}'M' greentint -8.699 2.87 -6.29 {"}'M' greentint -8.481 3.006 -6.284 {"}'M' greentint -8.241 3.101 -6.28 {"}'M' greentint -9.049 2.369 -6.057 {"}'M' greentint -8.91 2.584 -6.048 {"}'M' greentint -8.734 2.769 -6.04 {"}'M' greentint -8.525 2.917 -6.033 @subgroup {2->1} dominant @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { H AGLY 8 A}'M' P -8.348 2.353 -6.674 {"}'M' -8.35 2.355 -6.674 {"}'M' P -8.399 2.337 -6.415 {"}'M' -8.402 2.341 -6.416 @dotlist {x} color= sky width= 1 master= {H-bonds} { H AGLY 8 A}'M' greentint -8.252 2.806 -7.154 {"}'M' greentint -8.362 2.572 -7.165 {"}'M' greentint -8.536 2.382 -7.173 {"}'M' greentint -8.758 2.25 -7.179 {"}'M' greentint -8.149 2.793 -6.913 {"}'M' greentint -8.245 2.56 -6.924 {"}'M' greentint -8.399 2.36 -6.932 {"}'M' greentint -8.599 2.207 -6.939 {"}'M' greentint -8.832 2.11 -6.943 {"}'M' greentint -9.082 2.077 -6.945 {"}'M' greentint -8.116 3.042 -6.903 {"}'M' greentint -8.111 2.79 -6.655 {"}'M' greentint -8.202 2.557 -6.665 {"}'M' greentint -8.539 2.192 -6.681 {"}'M' greentint -8.765 2.083 -6.685 {"}'M' greentint -9.011 2.034 -6.688 {"}'M' greentint -8.082 3.039 -6.644 {"}'M' greentint -8.149 2.77 -6.396 {"}'M' greentint -8.245 2.537 -6.406 {"}'M' greentint -8.599 2.184 -6.422 {"}'M' greentint -8.832 2.088 -6.426 {"}'M' greentint -9.082 2.055 -6.428 {"}'M' greentint -8.116 3.02 -6.385 {"}'M' greentint -8.252 2.762 -6.155 {"}'M' greentint -8.362 2.529 -6.165 {"}'M' greentint -8.536 2.338 -6.174 {"}'M' greentint -8.758 2.207 -6.18 {"}'M' greentint -9.009 2.147 -6.182 {"}'M' greentint -8.216 3.017 -6.144 {"}'M' greentint -8.423 2.745 -5.949 {"}'M' greentint -8.559 2.524 -5.958 {"}'M' greentint -8.767 2.368 -5.965 {"}'M' greentint -9.017 2.297 -5.968 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 79 A}'M' green -9.828 1.297 -5.357 {"}'M' green -9.484 1.674 -5.341 {"}'M' green -9.294 1.828 -4.575 {"}'M' green -9.484 1.63 -4.342 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 79 A}'M' greentint -9.684 1.511 -5.348 {"}'M' greentint -9.977 1.168 -5.122 {"}'M' greentint -9.881 1.401 -5.112 {"}'M' greentint -9.727 1.601 -5.103 {"}'M' greentint -9.527 1.754 -5.096 {"}'M' greentint -10.037 1.024 -4.869 {"}'M' greentint -9.977 1.267 -4.858 {"}'M' greentint -9.858 1.488 -4.849 {"}'M' greentint -9.688 1.672 -4.841 {"}'M' greentint -9.477 1.808 -4.835 {"}'M' greentint -9.977 1.145 -4.605 {"}'M' greentint -9.881 1.378 -4.594 {"}'M' greentint -9.727 1.578 -4.586 {"}'M' greentint -9.527 1.731 -4.579 {"}'M' greentint -9.828 1.253 -4.358 {"}'M' greentint -9.684 1.468 -4.349 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 8 A}'M' green -9.703 1.53 -5.435 {"}'M' green -9.869 1.338 -5.443 {"}'M' green -9.362 1.968 -4.92 {"}'M' green -10.111 0.977 -4.963 {"}'M' green -9.36 1.965 -4.662 {"}'M' green -10.103 0.969 -4.705 {"}'M' green -9.482 1.701 -4.419 {"}'M' green -9.951 1.105 -4.445 {"}'M' green -9.699 1.482 -4.187 {"}'M' green -9.863 1.289 -4.196 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 8 A}'M' greentint -9.479 1.742 -5.184 {"}'M' greentint -9.595 1.514 -5.194 {"}'M' greentint -9.752 1.312 -5.203 {"}'M' greentint -9.944 1.144 -5.21 {"}'M' greentint -9.432 1.721 -4.931 {"}'M' greentint -9.547 1.49 -4.941 {"}'M' greentint -9.702 1.285 -4.95 {"}'M' greentint -9.892 1.112 -4.958 {"}'M' greentint -9.429 1.717 -4.673 {"}'M' greentint -9.542 1.486 -4.683 {"}'M' greentint -9.696 1.28 -4.692 {"}'M' greentint -9.885 1.106 -4.699 {"}'M' greentint -9.599 1.474 -4.429 {"}'M' greentint -9.757 1.273 -4.438 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n val A 92 1gzcA_94F_211G}P -12.066 -2.78 -0.098 {"}-12.066 -2.78 -0.098 { ca val A 92 1gzcA_94F_211G}-10.73 -2.605 -0.658 { c val A 92 1gzcA_94F_211G}-10.617 -1.266 -1.356 { o val A 92 1gzcA_94F_211G}-11.61 -0.739 -1.898 { c val A 92 1gzcA_94F_211G}P -10.617 -1.266 -1.356 { n phe A 93 1gzcA_94F_211G}-9.422 -0.678 -1.284 { ca phe A 93 1gzcA_94F_211G}-9.117 0.545 -2.02 { c phe A 93 1gzcA_94F_211G}-8.371 0.052 -3.259 { o phe A 93 1gzcA_94F_211G}-7.496 -0.834 -3.151 { c phe A 93 1gzcA_94F_211G}P -8.371 0.052 -3.259 { n phe A 94 1gzcA_94F_211G}-8.667 0.586 -4.446 { ca phe A 94 1gzcA_94F_211G}-7.968 0.067 -5.624 { c phe A 94 1gzcA_94F_211G}-7.68 1.132 -6.666 { o phe A 94 1gzcA_94F_211G}-8.391 2.116 -6.737 { c phe A 94 1gzcA_94F_211G}P -7.68 1.132 -6.666 { n met A 95 1gzcA_94F_211G}-6.642 0.903 -7.478 { ca met A 95 1gzcA_94F_211G}-6.242 1.834 -8.543 { c met A 95 1gzcA_94F_211G}-5.988 0.934 -9.774 { o met A 95 1gzcA_94F_211G}-5.311 -0.095 -9.666 { c met A 95 1gzcA_94F_211G}P -5.988 0.934 -9.774 { n gly A 96 1gzcA_94F_211G}-6.529 1.299 -10.935 { ca gly A 96 1gzcA_94F_211G}-6.321 0.427 -12.101 { c gly A 96 1gzcA_94F_211G}-6.803 1.127 -13.358 { o gly A 96 1gzcA_94F_211G}-7.062 2.321 -13.323 { n asp A 209 1gzcA_94F_211G}P -8.04 5.027 -12.62 {"}-8.04 5.027 -12.62 { ca asp A 209 1gzcA_94F_211G}-9.185 5.518 -11.855 { c asp A 209 1gzcA_94F_211G}-8.84 4.987 -10.443 { o asp A 209 1gzcA_94F_211G}-8.163 3.928 -10.297 { c asp A 209 1gzcA_94F_211G}P -8.84 4.987 -10.443 { n val A 210 1gzcA_94F_211G}-9.309 5.709 -9.426 { ca val A 210 1gzcA_94F_211G}-9.156 5.278 -8.032 { c val A 210 1gzcA_94F_211G}-10.539 5.063 -7.439 { o val A 210 1gzcA_94F_211G}-11.483 5.792 -7.724 { c val A 210 1gzcA_94F_211G}P -10.539 5.063 -7.439 { n gly A 211 1gzcA_94F_211G}-10.664 4.025 -6.625 { ca gly A 211 1gzcA_94F_211G}-11.962 3.762 -6.049 { c gly A 211 1gzcA_94F_211G}-11.937 2.877 -4.806 { o gly A 211 1gzcA_94F_211G}-10.861 2.501 -4.289 { c gly A 211 1gzcA_94F_211G}P -11.937 2.877 -4.806 { n leu A 212 1gzcA_94F_211G}-13.144 2.648 -4.28 { ca leu A 212 1gzcA_94F_211G}-13.342 1.771 -3.123 { c leu A 212 1gzcA_94F_211G}-14.358 0.74 -3.547 { o leu A 212 1gzcA_94F_211G}-15.267 1.072 -4.291 { c leu A 212 1gzcA_94F_211G}P -14.358 0.74 -3.547 { n ser A 213 1gzcA_94F_211G}-14.256 -0.499 -3.047 { ca ser A 213 1gzcA_94F_211G}-15.224 -1.544 -3.452 { c ser A 213 1gzcA_94F_211G}-15.479 -2.443 -2.236 { o ser A 213 1gzcA_94F_211G}-14.619 -2.574 -1.35 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n val A 92 1gzcA_94F_211G}P -12.066 -2.78 -0.098 { ca val A 92 1gzcA_94F_211G}P -10.73 -2.605 -0.658 { n phe A 93 1gzcA_94F_211G}P -9.422 -0.678 -1.284 { ca phe A 93 1gzcA_94F_211G}P -9.117 0.545 -2.02 { n phe A 94 1gzcA_94F_211G}P -8.667 0.586 -4.446 { ca phe A 94 1gzcA_94F_211G}P -7.968 0.067 -5.624 { n met A 95 1gzcA_94F_211G}P -6.642 0.903 -7.478 { ca met A 95 1gzcA_94F_211G}P -6.242 1.834 -8.543 { n gly A 96 1gzcA_94F_211G}P -6.529 1.299 -10.935 { ca gly A 96 1gzcA_94F_211G}P -6.321 0.427 -12.101 {"}P -6.321 0.427 -12.101 { n asp A 209 1gzcA_94F_211G}P -8.04 5.027 -12.62 { ca asp A 209 1gzcA_94F_211G}P -9.185 5.518 -11.855 { n val A 210 1gzcA_94F_211G}P -9.309 5.709 -9.426 { ca val A 210 1gzcA_94F_211G}P -9.156 5.278 -8.032 { n gly A 211 1gzcA_94F_211G}P -10.664 4.025 -6.625 { ca gly A 211 1gzcA_94F_211G}P -11.962 3.762 -6.049 {"}P -11.962 3.762 -6.049 { n leu A 212 1gzcA_94F_211G}P -13.144 2.648 -4.28 { ca leu A 212 1gzcA_94F_211G}P -13.342 1.771 -3.123 { n ser A 213 1gzcA_94F_211G}P -14.256 -0.499 -3.047 { ca ser A 213 1gzcA_94F_211G}P -15.224 -1.544 -3.452 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca val A 92 1gzcA_94F_211G}P -10.73 -2.605 -0.658 {"}-10.73 -2.605 -0.658 { ca phe A 93 1gzcA_94F_211G}-9.117 0.545 -2.02 { ca phe A 94 1gzcA_94F_211G}-7.968 0.067 -5.624 { ca met A 95 1gzcA_94F_211G}-6.242 1.834 -8.543 { ca gly A 96 1gzcA_94F_211G}-6.321 0.427 -12.101 { ca asp A 209 1gzcA_94F_211G}P -9.185 5.518 -11.855 {"}-9.185 5.518 -11.855 { ca val A 210 1gzcA_94F_211G}-9.156 5.278 -8.032 { ca gly A 211 1gzcA_94F_211G}-11.962 3.762 -6.049 { ca leu A 212 1gzcA_94F_211G}-13.342 1.771 -3.123 { ca ser A 213 1gzcA_94F_211G}-15.224 -1.544 -3.452 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca val A 92 1gzcA_94F_211G}P -10.73 -2.605 -0.658 { ca phe A 93 1gzcA_94F_211G}P -9.117 0.545 -2.02 { ca phe A 94 1gzcA_94F_211G}P -7.968 0.067 -5.624 { cb phe A 94 1gzcA_94F_211G}-8.758 -1.095 -6.28 { cg phe A 94 1gzcA_94F_211G}-10.115 -0.683 -6.912 { cd1 phe A 94 1gzcA_94F_211G}-11.219 -0.406 -6.11 { ce1 phe A 94 1gzcA_94F_211G}-12.436 0.034 -6.673 { cz phe A 94 1gzcA_94F_211G}-12.545 0.184 -8.044 { cg phe A 94 1gzcA_94F_211G}P -10.115 -0.683 -6.912 { cd2 phe A 94 1gzcA_94F_211G}-10.249 -0.533 -8.292 { ce2 phe A 94 1gzcA_94F_211G}-11.474 -0.095 -8.856 { cz phe A 94 1gzcA_94F_211G}ghost -12.545 0.184 -8.044 { ca met A 95 1gzcA_94F_211G}P -6.242 1.834 -8.543 {"}P -6.242 1.834 -8.543 { ca asp A 209 1gzcA_94F_211G}P -9.185 5.518 -11.855 { ca val A 210 1gzcA_94F_211G}P -9.156 5.278 -8.032 { ca leu A 212 1gzcA_94F_211G}P -13.342 1.771 -3.123 { ca ser A 213 1gzcA_94F_211G}P -15.224 -1.544 -3.452 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 94 1gzcA_94F_211G}P -8.758 -1.095 -6.28 {"}P -8.758 -1.095 -6.28 { cd1 phe A 94 1gzcA_94F_211G}P -11.219 -0.406 -6.11 { cd2 phe A 94 1gzcA_94F_211G}P -10.249 -0.533 -8.292 { ce1 phe A 94 1gzcA_94F_211G}P -12.436 0.034 -6.673 { ce2 phe A 94 1gzcA_94F_211G}P -11.474 -0.095 -8.856 { cz phe A 94 1gzcA_94F_211G}P -12.545 0.184 -8.044 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 94 1gzcA_94F_211G}P -7.968 0.067 -5.624 { cb phe A 94 1gzcA_94F_211G}-8.758 -1.095 -6.28 { cg phe A 94 1gzcA_94F_211G}-10.115 -0.683 -6.912 { cd1 phe A 94 1gzcA_94F_211G}-11.219 -0.406 -6.11 { ce1 phe A 94 1gzcA_94F_211G}-12.436 0.034 -6.673 { cz phe A 94 1gzcA_94F_211G}-12.545 0.184 -8.044 { cg phe A 94 1gzcA_94F_211G}P -10.115 -0.683 -6.912 { cd2 phe A 94 1gzcA_94F_211G}-10.249 -0.533 -8.292 { ce2 phe A 94 1gzcA_94F_211G}-11.474 -0.095 -8.856 { cz phe A 94 1gzcA_94F_211G}ghost -12.545 0.184 -8.044 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 94 1gzcA_94F_211G}P -8.758 -1.095 -6.28 {"}P -8.758 -1.095 -6.28 { cd1 phe A 94 1gzcA_94F_211G}P -11.219 -0.406 -6.11 { cd2 phe A 94 1gzcA_94F_211G}P -10.249 -0.533 -8.292 { ce1 phe A 94 1gzcA_94F_211G}P -12.436 0.034 -6.673 { ce2 phe A 94 1gzcA_94F_211G}P -11.474 -0.095 -8.856 { cz phe A 94 1gzcA_94F_211G}P -12.545 0.184 -8.044 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 94 A}'P' blue -12.64 1.743 -6.988 {"}'P' blue -12.379 1.755 -6.988 {"}'P' blue -12.824 1.739 -6.729 {"}'P' sky -12.566 1.778 -6.728 {"}'P' blue -12.306 1.778 -6.728 {"}'P' blue -12.832 1.726 -6.468 { CZ PHE 94 A}'P' blue -12.741 1.86 -7.581 {"}'P' blue -12.48 1.87 -7.581 {"}'P' blue -12.808 1.762 -7.335 {"}'P' blue -12.553 1.784 -7.334 {"}'P' blue -12.298 1.765 -7.335 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 211 A}'P' blue -12.47 2.261 -7.364 {"}'P' blue -12.724 2.261 -7.364 {"}'P' blue -12.335 2.186 -7.12 {"}'P' blue -12.589 2.156 -7.121 {"}'P' blue -12.843 2.183 -7.12 {"}'P' blue -12.284 2.158 -6.86 {"}'P' sky -12.534 2.117 -6.862 {"}'P' blue -12.786 2.131 -6.861 {"}'P' blue -12.589 2.133 -6.601 {"}'P' blue -12.843 2.16 -6.599 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 94 A}'M' green -9.592 2.742 -7.093 {"}'M' green -9.012 3.368 -6.812 {"}'M' green -9.589 2.456 -6.098 {"}'M' green -8.95 3.209 -6.065 {"}'M' green -9.324 2.693 -5.867 {"}'M' green -9.158 2.891 -5.859 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 94 A}'M' greentint -9.454 2.958 -7.084 {"}'M' greentint -9.279 3.144 -7.076 {"}'M' greentint -9.691 2.625 -6.844 {"}'M' greentint -9.576 2.855 -6.834 {"}'M' greentint -9.421 3.06 -6.825 {"}'M' greentint -9.231 3.233 -6.818 {"}'M' greentint -9.694 2.606 -6.586 {"}'M' greentint -9.581 2.837 -6.576 {"}'M' greentint -9.427 3.043 -6.567 {"}'M' greentint -9.238 3.217 -6.56 {"}'M' greentint -9.02 3.353 -6.554 {"}'M' greentint -9.683 2.478 -6.338 {"}'M' greentint -9.588 2.716 -6.327 {"}'M' greentint -9.449 2.931 -6.318 {"}'M' greentint -9.273 3.116 -6.31 {"}'M' greentint -9.064 3.264 -6.303 {"}'M' greentint -9.491 2.689 -6.087 {"}'M' greentint -9.347 2.898 -6.078 {"}'M' greentint -9.164 3.074 -6.071 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 211 A}'M' green -9.274 3.17 -7.084 {"}'M' green -8.967 3.405 -6.625 {"}'M' green -9.213 2.892 -5.887 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 211 A}'M' greentint -9.41 2.949 -7.093 {"}'M' greentint -9.103 3.169 -6.876 {"}'M' greentint -9.213 2.935 -6.887 {"}'M' greentint -9.387 2.745 -6.895 {"}'M' greentint -9.609 2.613 -6.901 {"}'M' greentint -9 3.156 -6.635 {"}'M' greentint -9.096 2.923 -6.646 {"}'M' greentint -9.25 2.723 -6.654 {"}'M' greentint -9.45 2.57 -6.661 {"}'M' greentint -9.683 2.473 -6.665 {"}'M' greentint -8.962 3.153 -6.377 {"}'M' greentint -9.053 2.92 -6.387 {"}'M' greentint -9.199 2.716 -6.396 {"}'M' greentint -9.39 2.555 -6.403 {"}'M' greentint -9.616 2.446 -6.407 {"}'M' greentint -9 3.133 -6.118 {"}'M' greentint -9.096 2.9 -6.128 {"}'M' greentint -9.25 2.7 -6.137 {"}'M' greentint -9.45 2.547 -6.144 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 94 A}'M' greentint -10.112 1.707 -5.095 {"}'M' greentint -9.968 1.921 -5.086 {"}'M' greentint -10.261 1.578 -4.86 {"}'M' greentint -10.165 1.811 -4.85 {"}'M' greentint -10.011 2.011 -4.841 {"}'M' greentint -9.811 2.164 -4.834 {"}'M' greentint -10.321 1.434 -4.607 {"}'M' greentint -10.261 1.677 -4.596 {"}'M' greentint -10.142 1.898 -4.587 {"}'M' greentint -9.972 2.082 -4.579 {"}'M' greentint -9.761 2.218 -4.573 {"}'M' greentint -9.523 2.297 -4.569 {"}'M' greentint -10.294 1.306 -4.353 {"}'M' greentint -10.261 1.555 -4.343 {"}'M' greentint -10.165 1.788 -4.332 {"}'M' greentint -10.011 1.988 -4.324 {"}'M' greentint -9.811 2.141 -4.317 {"}'M' greentint -9.578 2.238 -4.313 {"}'M' greentint -10.186 1.416 -4.107 {"}'M' greentint -10.112 1.663 -4.096 {"}'M' greentint -9.968 1.878 -4.087 {"}'M' greentint -9.768 2.04 -4.08 {"}'M' greentint -9.529 2.137 -4.076 {"}'M' greentint -9.929 1.658 -3.889 {"}'M' greentint -9.754 1.85 -3.881 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 211 A}'M' green -10.08 1.388 -3.954 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 211 A}'M' greentint -9.709 2.034 -4.934 {"}'M' greentint -9.832 1.813 -4.944 {"}'M' greentint -9.998 1.621 -4.952 {"}'M' greentint -10.198 1.466 -4.959 {"}'M' greentint -9.537 2.271 -4.683 {"}'M' greentint -9.608 2.025 -4.693 {"}'M' greentint -9.724 1.797 -4.703 {"}'M' greentint -9.881 1.595 -4.712 {"}'M' greentint -10.073 1.427 -4.719 {"}'M' greentint -10.294 1.297 -4.725 {"}'M' greentint -9.491 2.251 -4.429 {"}'M' greentint -9.561 2.004 -4.44 {"}'M' greentint -9.676 1.773 -4.45 {"}'M' greentint -9.831 1.568 -4.459 {"}'M' greentint -10.021 1.395 -4.467 {"}'M' greentint -10.24 1.26 -4.472 {"}'M' greentint -9.558 2 -4.182 {"}'M' greentint -9.671 1.769 -4.192 {"}'M' greentint -9.825 1.563 -4.201 {"}'M' greentint -10.014 1.389 -4.208 {"}'M' greentint -10.232 1.252 -4.214 {"}'M' greentint -9.611 1.984 -3.928 {"}'M' greentint -9.728 1.757 -3.938 {"}'M' greentint -9.886 1.556 -3.947 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n phe A 767 1hn0A_873Y_769}P -8.72 5.004 -12.97 {"}-8.72 5.004 -12.97 { ca phe A 767 1hn0A_873Y_769}-9.841 4.545 -12.107 { c phe A 767 1hn0A_873Y_769}-9.311 4.407 -10.701 { o phe A 767 1hn0A_873Y_769}-8.312 3.715 -10.508 { c phe A 767 1hn0A_873Y_769}P -9.311 4.407 -10.701 { n ile A 768 1hn0A_873Y_769}-9.979 5 -9.699 { ca ile A 768 1hn0A_873Y_769}-9.59 4.722 -8.321 { c ile A 768 1hn0A_873Y_769}-10.835 4.474 -7.474 { o ile A 768 1hn0A_873Y_769}-11.914 4.982 -7.807 { c ile A 768 1hn0A_873Y_769}P -10.835 4.474 -7.474 { n gly A 769 1hn0A_873Y_769}-10.665 3.69 -6.414 { ca gly A 769 1hn0A_873Y_769}-11.76 3.258 -5.557 { c gly A 769 1hn0A_873Y_769}-11.247 3.255 -4.127 { o gly A 769 1hn0A_873Y_769}-10.1 2.892 -3.879 { c gly A 769 1hn0A_873Y_769}P -11.247 3.255 -4.127 { n ser A 770 1hn0A_873Y_769}-12.099 3.64 -3.179 { ca ser A 770 1hn0A_873Y_769}-11.714 3.611 -1.779 { c ser A 770 1hn0A_873Y_769}-12.954 3.28 -0.964 { o ser A 770 1hn0A_873Y_769}-14.087 3.339 -1.48 { c ser A 770 1hn0A_873Y_769}P -12.954 3.28 -0.964 { n asn A 771 1hn0A_873Y_769}-12.713 2.984 0.315 { ca asn A 771 1hn0A_873Y_769}-13.798 2.836 1.293 { c asn A 771 1hn0A_873Y_769}-14.803 1.801 0.843 { o asn A 771 1hn0A_873Y_769}-16.029 1.999 0.97 { n ala A 871 1hn0A_873Y_769}P -11.6 -1.632 1.552 {"}-11.6 -1.632 1.552 { ca ala A 871 1hn0A_873Y_769}-10.854 -2.023 0.353 { c ala A 871 1hn0A_873Y_769}-10.73 -0.872 -0.676 { o ala A 871 1hn0A_873Y_769}-11.475 0.137 -0.646 { c ala A 871 1hn0A_873Y_769}P -10.73 -0.872 -0.676 { n ser A 872 1hn0A_873Y_769}-9.801 -1.019 -1.618 { ca ser A 872 1hn0A_873Y_769}-9.481 0.076 -2.504 { c ser A 872 1hn0A_873Y_769}-8.886 -0.497 -3.791 { o ser A 872 1hn0A_873Y_769}-8.505 -1.641 -3.803 { c ser A 872 1hn0A_873Y_769}P -8.886 -0.497 -3.791 { n tyr A 873 1hn0A_873Y_769}-8.835 0.295 -4.847 { ca tyr A 873 1hn0A_873Y_769}-8.096 -0.092 -6.073 { c tyr A 873 1hn0A_873Y_769}-7.596 1.126 -6.816 { o tyr A 873 1hn0A_873Y_769}-8.036 2.276 -6.577 { c tyr A 873 1hn0A_873Y_769}P -7.596 1.126 -6.816 { n glu A 874 1hn0A_873Y_769}-6.665 0.891 -7.743 { ca glu A 874 1hn0A_873Y_769}-6.33 1.849 -8.772 { c glu A 874 1hn0A_873Y_769}-5.946 1.041 -9.995 { o glu A 874 1hn0A_873Y_769}-5.305 0.023 -9.856 { c glu A 874 1hn0A_873Y_769}P -5.946 1.041 -9.995 { n tyr A 875 1hn0A_873Y_769}-6.312 1.515 -11.178 { ca tyr A 875 1hn0A_873Y_769}-5.819 0.962 -12.443 { c tyr A 875 1hn0A_873Y_769}-6.009 1.987 -13.514 { o tyr A 875 1hn0A_873Y_769}-6.679 3.002 -13.314 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n phe A 767 1hn0A_873Y_769}P -8.72 5.004 -12.97 { ca phe A 767 1hn0A_873Y_769}P -9.841 4.545 -12.107 { n ile A 768 1hn0A_873Y_769}P -9.979 5 -9.699 { ca ile A 768 1hn0A_873Y_769}P -9.59 4.722 -8.321 { n gly A 769 1hn0A_873Y_769}P -10.665 3.69 -6.414 { ca gly A 769 1hn0A_873Y_769}P -11.76 3.258 -5.557 {"}P -11.76 3.258 -5.557 { n ser A 770 1hn0A_873Y_769}P -12.099 3.64 -3.179 { ca ser A 770 1hn0A_873Y_769}P -11.714 3.611 -1.779 { n asn A 771 1hn0A_873Y_769}P -12.713 2.984 0.315 { ca asn A 771 1hn0A_873Y_769}P -13.798 2.836 1.293 { n ala A 871 1hn0A_873Y_769}P -11.6 -1.632 1.552 { ca ala A 871 1hn0A_873Y_769}P -10.854 -2.023 0.353 { n ser A 872 1hn0A_873Y_769}P -9.801 -1.019 -1.618 { ca ser A 872 1hn0A_873Y_769}P -9.481 0.076 -2.504 { n tyr A 873 1hn0A_873Y_769}P -8.835 0.295 -4.847 { ca tyr A 873 1hn0A_873Y_769}P -8.096 -0.092 -6.073 { n glu A 874 1hn0A_873Y_769}P -6.665 0.891 -7.743 { ca glu A 874 1hn0A_873Y_769}P -6.33 1.849 -8.772 { n tyr A 875 1hn0A_873Y_769}P -6.312 1.515 -11.178 { ca tyr A 875 1hn0A_873Y_769}P -5.819 0.962 -12.443 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca phe A 767 1hn0A_873Y_769}P -9.841 4.545 -12.107 {"}-9.841 4.545 -12.107 { ca ile A 768 1hn0A_873Y_769}-9.59 4.722 -8.321 { ca gly A 769 1hn0A_873Y_769}-11.76 3.258 -5.557 { ca ser A 770 1hn0A_873Y_769}-11.714 3.611 -1.779 { ca asn A 771 1hn0A_873Y_769}-13.798 2.836 1.293 { ca ala A 871 1hn0A_873Y_769}P -10.854 -2.023 0.353 {"}-10.854 -2.023 0.353 { ca ser A 872 1hn0A_873Y_769}-9.481 0.076 -2.504 { ca tyr A 873 1hn0A_873Y_769}-8.096 -0.092 -6.073 { ca glu A 874 1hn0A_873Y_769}-6.33 1.849 -8.772 { ca tyr A 875 1hn0A_873Y_769}-5.819 0.962 -12.443 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca phe A 767 1hn0A_873Y_769}P -9.841 4.545 -12.107 { ca ile A 768 1hn0A_873Y_769}P -9.59 4.722 -8.321 { ca ser A 770 1hn0A_873Y_769}P -11.714 3.611 -1.779 { ca asn A 771 1hn0A_873Y_769}P -13.798 2.836 1.293 { ca ala A 871 1hn0A_873Y_769}P -10.854 -2.023 0.353 { ca ser A 872 1hn0A_873Y_769}P -9.481 0.076 -2.504 { ca tyr A 873 1hn0A_873Y_769}P -8.096 -0.092 -6.073 { cb tyr A 873 1hn0A_873Y_769}-8.985 -0.926 -7.023 { cg tyr A 873 1hn0A_873Y_769}-10.218 -0.157 -7.519 { cd1 tyr A 873 1hn0A_873Y_769}-10.126 0.719 -8.603 { ce1 tyr A 873 1hn0A_873Y_769}-11.255 1.4 -9.071 { cz tyr A 873 1hn0A_873Y_769}-12.475 1.242 -8.433 { oh tyr A 873 1hn0A_873Y_769}-13.544 1.969 -8.885 { cg tyr A 873 1hn0A_873Y_769}P -10.218 -0.157 -7.519 { cd2 tyr A 873 1hn0A_873Y_769}-11.452 -0.294 -6.892 { ce2 tyr A 873 1hn0A_873Y_769}-12.606 0.365 -7.363 { cz tyr A 873 1hn0A_873Y_769}ghost -12.475 1.242 -8.433 { ca glu A 874 1hn0A_873Y_769}P -6.33 1.849 -8.772 { ca tyr A 875 1hn0A_873Y_769}P -5.819 0.962 -12.443 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 873 1hn0A_873Y_769}P -8.985 -0.926 -7.023 {"}P -8.985 -0.926 -7.023 { cd1 tyr A 873 1hn0A_873Y_769}P -10.126 0.719 -8.603 { cd2 tyr A 873 1hn0A_873Y_769}P -11.452 -0.294 -6.892 { ce1 tyr A 873 1hn0A_873Y_769}P -11.255 1.4 -9.071 { ce2 tyr A 873 1hn0A_873Y_769}P -12.606 0.365 -7.363 { oh tyr A 873 1hn0A_873Y_769}P -13.544 1.969 -8.885 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 873 1hn0A_873Y_769}P -8.096 -0.092 -6.073 { cb tyr A 873 1hn0A_873Y_769}-8.985 -0.926 -7.023 { cg tyr A 873 1hn0A_873Y_769}-10.218 -0.157 -7.519 { cd1 tyr A 873 1hn0A_873Y_769}-10.126 0.719 -8.603 { ce1 tyr A 873 1hn0A_873Y_769}-11.255 1.4 -9.071 { cz tyr A 873 1hn0A_873Y_769}-12.475 1.242 -8.433 { oh tyr A 873 1hn0A_873Y_769}-13.544 1.969 -8.885 { cg tyr A 873 1hn0A_873Y_769}P -10.218 -0.157 -7.519 { cd2 tyr A 873 1hn0A_873Y_769}-11.452 -0.294 -6.892 { ce2 tyr A 873 1hn0A_873Y_769}-12.606 0.365 -7.363 { cz tyr A 873 1hn0A_873Y_769}ghost -12.475 1.242 -8.433 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 873 1hn0A_873Y_769}P -8.985 -0.926 -7.023 {"}P -8.985 -0.926 -7.023 { cd1 tyr A 873 1hn0A_873Y_769}P -10.126 0.719 -8.603 { cd2 tyr A 873 1hn0A_873Y_769}P -11.452 -0.294 -6.892 { ce1 tyr A 873 1hn0A_873Y_769}P -11.255 1.4 -9.071 { ce2 tyr A 873 1hn0A_873Y_769}P -12.606 0.365 -7.363 { oh tyr A 873 1hn0A_873Y_769}P -13.544 1.969 -8.885 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CD2 TYR 873 A}'P' sky -11.127 1.362 -6.43 {"}'P' sky -11.395 1.024 -5.742 { CZ TYR 873 A}'P' sky -11.527 1.906 -7.12 {"}'P' sky -12.975 2.028 -6.951 @dotlist {x} color= white width= 1 master= {vdw contact} { CD2 TYR 873 A}'P' sea -11.33 1.439 -6.685 {"}'P' green -11.387 1.392 -6.429 {"}'P' green -11.46 1.306 -6.182 {"}'P' sea -11.205 1.287 -6.183 {"}'P' green -11.645 1.17 -5.952 {"}'P' green -11.388 1.181 -5.952 {"}'P' sea -11.907 0.947 -5.746 {"}'P' sea -11.655 1.01 -5.743 { CZ TYR 873 A}'P' sea -12.668 2.36 -7.1 {"}'P' green -12.411 2.373 -7.1 {"}'P' green -12.157 2.332 -7.101 {"}'P' green -11.917 2.237 -7.106 {"}'P' sea -11.704 2.092 -7.112 {"}'P' green -12.738 2.128 -6.947 {"}'P' green -11.784 1.881 -6.958 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 TYR 873 A}'P' P -12.869 1.943 -6.654 {"}'P' -12.868 1.936 -6.657 {"}'P' P -12.614 1.965 -6.653 {"}'P' -12.614 1.885 -6.688 {"}'P' P -12.359 1.946 -6.654 {"}'P' -12.378 1.824 -6.709 {"}'P' P -12.11 1.887 -6.657 {"}'P' -12.15 1.765 -6.713 {"}'P' P -11.874 1.791 -6.661 {"}'P' -11.917 1.707 -6.702 {"}'P' P -11.655 1.659 -6.667 {"}'P' -11.672 1.636 -6.679 {"}'P' P -12.799 1.829 -6.423 {"}'P' -12.789 1.756 -6.47 {"}'P' P -12.542 1.84 -6.423 {"}'P' -12.548 1.698 -6.513 {"}'P' P -12.041 1.732 -6.427 {"}'P' -12.103 1.581 -6.531 {"}'P' P -11.811 1.616 -6.433 {"}'P' -11.869 1.525 -6.501 {"}'P' P -11.605 1.463 -6.439 {"}'P' -11.623 1.444 -6.456 {"}'P' P -12.809 1.669 -6.214 {"}'P' -12.798 1.601 -6.274 {"}'P' P -12.549 1.683 -6.213 {"}'P' -12.555 1.548 -6.331 {"}'P' P -12.045 1.564 -6.218 {"}'P' -12.107 1.433 -6.344 {"}'P' P -11.819 1.436 -6.224 {"}'P' -11.87 1.367 -6.297 {"}'P' P -12.799 1.483 -6.03 {"}'P' -12.792 1.445 -6.075 {"}'P' P -12.542 1.496 -6.03 {"}'P' -12.547 1.407 -6.135 {"}'P' P -12.288 1.455 -6.031 {"}'P' -12.318 1.352 -6.157 {"}'P' P -12.048 1.36 -6.036 {"}'P' -12.089 1.287 -6.132 {"}'P' P -11.835 1.215 -6.042 {"}'P' -11.853 1.196 -6.072 {"}'P' P -12.614 1.287 -5.875 {"}'P' -12.614 1.267 -5.908 {"}'P' P -12.359 1.255 -5.877 {"}'P' -12.369 1.22 -5.936 {"}'P' P -12.12 1.159 -5.881 {"}'P' -12.131 1.142 -5.912 { CZ TYR 873 A}'P' P -12.483 2.164 -6.945 {"}'P' -12.483 2.163 -6.947 {"}'P' P -12.228 2.132 -6.947 {"}'P' -12.232 2.118 -6.971 {"}'P' P -11.989 2.036 -6.951 {"}'P' -11.995 2.027 -6.967 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { CE2 TYR 873 A}'P' P -12.287 1.807 -6.424 {"}'P' -12.325 1.635 -6.536 {"}'P' P -12.291 1.648 -6.215 {"}'P' -12.331 1.488 -6.358 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 769 A}'P' sky -12.834 2.294 -6.761 {"}'P' sky -11.208 1.561 -6.138 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 769 A}'P' green -12.105 2.305 -7.016 {"}'P' green -12.365 2.304 -6.987 {"}'P' sea -11.661 2.054 -6.911 {"}'P' green -12.613 2.292 -6.9 {"}'P' sea -11.316 1.578 -6.385 {"}'P' green -11.506 1.409 -6.392 {"}'P' green -11.387 1.379 -6.146 {"}'P' sea -11.348 1.363 -5.886 {"}'P' green -11.557 1.221 -5.892 {"}'P' green -11.792 1.128 -5.896 {"}'P' sea -11.603 1.219 -5.632 {"}'P' sea -11.843 1.133 -5.635 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 769 A}'P' P -11.975 2.079 -6.996 {"}'P' -11.976 2.08 -6.99 {"}'P' P -12.235 2.079 -6.996 {"}'P' -12.231 2.084 -6.962 {"}'P' P -11.844 1.865 -6.919 {"}'P' -11.845 1.867 -6.915 {"}'P' P -12.097 1.793 -6.922 {"}'P' -12.097 1.827 -6.844 {"}'P' P -12.351 1.857 -6.919 {"}'P' -12.333 1.886 -6.84 {"}'P' P -12.54 2.039 -6.912 {"}'P' -12.535 2.042 -6.897 {"}'P' P -11.74 1.663 -6.788 {"}'P' -11.754 1.685 -6.753 {"}'P' P -11.978 1.576 -6.792 {"}'P' -11.993 1.655 -6.683 {"}'P' P -12.232 1.576 -6.792 {"}'P' -12.212 1.68 -6.647 {"}'P' P -12.47 1.663 -6.788 {"}'P' -12.419 1.745 -6.658 {"}'P' P -12.664 1.825 -6.781 {"}'P' -12.622 1.858 -6.711 {"}'P' P -11.717 1.458 -6.612 {"}'P' -11.743 1.51 -6.562 {"}'P' P -11.967 1.382 -6.615 {"}'P' -11.986 1.507 -6.505 {"}'P' P -12.698 1.59 -6.606 {"}'P' -12.62 1.677 -6.506 {"}'P' P -12.87 1.785 -6.598 {"}'P' -12.832 1.808 -6.561 {"}'P' P -11.731 1.291 -6.397 {"}'P' -11.755 1.354 -6.362 {"}'P' P -11.978 1.231 -6.4 {"}'P' -11.995 1.367 -6.326 {"}'P' P -12.704 1.409 -6.392 {"}'P' -12.622 1.525 -6.317 {"}'P' P -12.894 1.578 -6.385 {"}'P' -12.838 1.626 -6.347 {"}'P' P -11.603 1.242 -6.152 {"}'P' -11.611 1.259 -6.147 {"}'P' P -11.843 1.156 -6.156 {"}'P' -11.856 1.211 -6.14 {"}'P' P -12.097 1.126 -6.157 {"}'P' -12.098 1.239 -6.126 {"}'P' P -12.351 1.153 -6.156 {"}'P' -12.321 1.287 -6.118 {"}'P' P -12.593 1.235 -6.152 {"}'P' -12.539 1.348 -6.118 {"}'P' P -12.81 1.369 -6.146 {"}'P' -12.762 1.43 -6.126 {"}'P' P -12.992 1.548 -6.138 {"}'P' -12.99 1.55 -6.138 {"}'P' P -12.042 1.087 -5.898 {"}'P' -12.042 1.098 -5.897 {"}'P' P -12.294 1.101 -5.897 {"}'P' -12.288 1.14 -5.896 {"}'P' P -12.538 1.168 -5.894 {"}'P' -12.524 1.203 -5.893 {"}'P' P -12.762 1.287 -5.889 {"}'P' -12.76 1.289 -5.889 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { HA3 GLY 769 A}'P' P -12.227 1.38 -6.615 {"}'P' -12.204 1.542 -6.473 {"}'P' P -12.477 1.451 -6.612 {"}'P' -12.41 1.596 -6.474 {"}'P' P -12.232 1.231 -6.4 {"}'P' -12.21 1.407 -6.305 {"}'P' P -12.479 1.291 -6.397 {"}'P' -12.414 1.458 -6.302 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 873 A}'M' green -9.237 2.902 -6.933 {"}'M' green -9.099 3.118 -6.924 {"}'M' green -9.406 2.538 -6.695 {"}'M' green -8.876 3.393 -6.658 {"}'M' green -9.376 2.387 -6.189 {"}'M' green -8.709 3.424 -6.143 {"}'M' green -9.086 2.621 -5.717 {"}'M' green -8.969 2.853 -5.707 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 873 A}'M' greentint -9.336 2.785 -6.684 {"}'M' greentint -9.221 3.015 -6.674 {"}'M' greentint -9.066 3.22 -6.665 {"}'M' greentint -9.408 2.518 -6.437 {"}'M' greentint -9.339 2.766 -6.426 {"}'M' greentint -9.226 2.997 -6.416 {"}'M' greentint -9.072 3.203 -6.407 {"}'M' greentint -8.883 3.377 -6.4 {"}'M' greentint -9.328 2.638 -6.178 {"}'M' greentint -9.233 2.876 -6.167 {"}'M' greentint -9.094 3.091 -6.158 {"}'M' greentint -8.918 3.276 -6.15 {"}'M' greentint -9.234 2.616 -5.938 {"}'M' greentint -9.136 2.849 -5.927 {"}'M' greentint -8.992 3.058 -5.918 {"}'M' greentint -8.809 3.234 -5.911 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 769 A}'M' green -9.448 2.56 -6.664 {"}'M' green -9.289 2.494 -5.907 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 769 A}'M' greentint -9.113 3.117 -6.847 {"}'M' greentint -9.249 2.896 -6.856 {"}'M' greentint -8.942 3.116 -6.639 {"}'M' greentint -9.052 2.882 -6.65 {"}'M' greentint -9.226 2.692 -6.658 {"}'M' greentint -8.906 3.371 -6.628 {"}'M' greentint -8.839 3.103 -6.398 {"}'M' greentint -8.935 2.87 -6.409 {"}'M' greentint -9.089 2.67 -6.417 {"}'M' greentint -9.289 2.517 -6.424 {"}'M' greentint -8.806 3.352 -6.388 {"}'M' greentint -8.801 3.1 -6.14 {"}'M' greentint -8.892 2.867 -6.15 {"}'M' greentint -9.038 2.663 -6.159 {"}'M' greentint -9.229 2.502 -6.166 {"}'M' greentint -8.772 3.349 -6.129 {"}'M' greentint -8.839 3.08 -5.881 {"}'M' greentint -8.935 2.847 -5.891 {"}'M' greentint -9.089 2.647 -5.9 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 873 A}'M' green -10.094 1.77 -4.872 {"}'M' green -9.225 2.187 -4.853 {"}'M' green -10.117 1.66 -4.617 {"}'M' green -9.03 2.11 -4.598 {"}'M' green -10.064 1.535 -4.381 {"}'M' green -9.881 1.53 -4.174 {"}'M' green -9.537 1.58 -4.013 {"}'M' green -9.288 1.651 -4.01 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 873 A}'M' greentint -9.924 1.954 -4.864 {"}'M' greentint -9.713 2.09 -4.858 {"}'M' greentint -9.475 2.169 -4.854 {"}'M' greentint -9.963 1.86 -4.609 {"}'M' greentint -9.763 2.013 -4.602 {"}'M' greentint -9.53 2.11 -4.598 {"}'M' greentint -9.28 2.143 -4.596 {"}'M' greentint -9.92 1.75 -4.372 {"}'M' greentint -9.72 1.912 -4.365 {"}'M' greentint -9.481 2.009 -4.361 {"}'M' greentint -9.224 2.031 -4.36 {"}'M' greentint -9.706 1.722 -4.166 {"}'M' greentint -9.474 1.838 -4.161 {"}'M' greentint -9.215 1.862 -4.16 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 769 A}'M' green -9.456 2.248 -4.943 {"}'M' green -9.908 2.015 -4.953 {"}'M' green -9.239 2.218 -4.753 {"}'M' green -10.157 1.814 -4.771 {"}'M' green -9.071 2.204 -4.534 {"}'M' green -10.163 1.669 -4.557 {"}'M' green -9.12 1.986 -4.302 {"}'M' green -10.028 1.565 -4.32 {"}'M' green -9.26 1.786 -4.057 {"}'M' green -9.719 1.558 -4.067 {"}'M' green -9.971 1.511 -4.069 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 769 A}'M' greentint -9.666 2.1 -4.949 {"}'M' greentint -9.426 2.038 -4.761 {"}'M' greentint -9.65 1.907 -4.766 {"}'M' greentint -9.898 1.831 -4.77 {"}'M' greentint -9.237 2.012 -4.542 {"}'M' greentint -9.437 1.857 -4.549 {"}'M' greentint -9.665 1.745 -4.554 {"}'M' greentint -9.91 1.682 -4.556 {"}'M' greentint -9.312 1.818 -4.309 {"}'M' greentint -9.533 1.688 -4.315 {"}'M' greentint -9.775 1.603 -4.319 {"}'M' greentint -9.479 1.651 -4.062 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n phe B 83 1htrB_101F_85G}P -6.624 6.015 -11.307 {"}-6.624 6.015 -11.307 { ca phe B 83 1htrB_101F_85G}-7.167 6.722 -10.151 { c phe B 83 1htrB_101F_85G}-7.558 5.593 -9.194 { o phe B 83 1htrB_101F_85G}-7.539 4.444 -9.571 { c phe B 83 1htrB_101F_85G}P -7.558 5.593 -9.194 { n phe B 84 1htrB_101F_85G}-7.903 5.945 -7.951 { ca phe B 84 1htrB_101F_85G}-8.289 4.944 -6.986 { c phe B 84 1htrB_101F_85G}-9.814 4.715 -6.966 { o phe B 84 1htrB_101F_85G}-10.586 5.683 -6.976 { c phe B 84 1htrB_101F_85G}P -9.814 4.715 -6.966 { n gly B 85 1htrB_101F_85G}-10.201 3.446 -6.833 { ca gly B 85 1htrB_101F_85G}-11.594 3.071 -6.751 { c gly B 85 1htrB_101F_85G}-11.683 2.218 -5.495 { o gly B 85 1htrB_101F_85G}-10.66 1.845 -4.833 { c gly B 85 1htrB_101F_85G}P -11.683 2.218 -5.495 { n tyr B 86 1htrB_101F_85G}-12.917 1.927 -5.1 { ca tyr B 86 1htrB_101F_85G}-13.168 1.206 -3.857 { c tyr B 86 1htrB_101F_85G}-14.184 0.185 -4.212 { o tyr B 86 1htrB_101F_85G}-15.211 0.49 -4.834 { c tyr B 86 1htrB_101F_85G}P -14.184 0.185 -4.212 { n asp B 87 1htrB_101F_85G}-13.996 -1.079 -3.891 { ca asp B 87 1htrB_101F_85G}-15.025 -2.091 -4.249 { c asp B 87 1htrB_101F_85G}-14.742 -3.31 -3.373 { o asp B 87 1htrB_101F_85G}-13.785 -3.295 -2.576 { n gln B 99 1htrB_101F_85G}P -12.616 -1.996 -0.463 {"}-12.616 -1.996 -0.463 { ca gln B 99 1htrB_101F_85G}-11.179 -2.107 -0.499 { c gln B 99 1htrB_101F_85G}-10.642 -1.116 -1.522 { o gln B 99 1htrB_101F_85G}-11.134 -1.097 -2.65 { c gln B 99 1htrB_101F_85G}P -10.642 -1.116 -1.522 { n glu B 100 1htrB_101F_85G}-9.611 -0.334 -1.201 { ca glu B 100 1htrB_101F_85G}-9.065 0.603 -2.19 { c glu B 100 1htrB_101F_85G}-8.167 -0.086 -3.174 { o glu B 100 1htrB_101F_85G}-7.425 -1.019 -2.827 { c glu B 100 1htrB_101F_85G}P -8.167 -0.086 -3.174 { n phe B 101 1htrB_101F_85G}-8.233 0.242 -4.454 { ca phe B 101 1htrB_101F_85G}-7.336 -0.399 -5.429 { c phe B 101 1htrB_101F_85G}-7.138 0.608 -6.555 { o phe B 101 1htrB_101F_85G}-7.925 1.573 -6.714 { c phe B 101 1htrB_101F_85G}P -7.138 0.608 -6.555 { n gly B 102 1htrB_101F_85G}-6.058 0.478 -7.302 { ca gly B 102 1htrB_101F_85G}-5.794 1.42 -8.373 { c gly B 102 1htrB_101F_85G}-6.324 0.859 -9.677 { o gly B 102 1htrB_101F_85G}-6.237 -0.36 -9.971 { c gly B 102 1htrB_101F_85G}P -6.324 0.859 -9.677 { n leu B 103 1htrB_101F_85G}-6.869 1.769 -10.467 { ca leu B 103 1htrB_101F_85G}-7.371 1.442 -11.754 { c leu B 103 1htrB_101F_85G}-6.525 2.186 -12.79 { o leu B 103 1htrB_101F_85G}-6.461 3.448 -12.82 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n phe B 83 1htrB_101F_85G}P -6.624 6.015 -11.307 { ca phe B 83 1htrB_101F_85G}P -7.167 6.722 -10.151 { n phe B 84 1htrB_101F_85G}P -7.903 5.945 -7.951 { ca phe B 84 1htrB_101F_85G}P -8.289 4.944 -6.986 { n gly B 85 1htrB_101F_85G}P -10.201 3.446 -6.833 { ca gly B 85 1htrB_101F_85G}P -11.594 3.071 -6.751 {"}P -11.594 3.071 -6.751 { n tyr B 86 1htrB_101F_85G}P -12.917 1.927 -5.1 { ca tyr B 86 1htrB_101F_85G}P -13.168 1.206 -3.857 { n asp B 87 1htrB_101F_85G}P -13.996 -1.079 -3.891 { ca asp B 87 1htrB_101F_85G}P -15.025 -2.091 -4.249 { n gln B 99 1htrB_101F_85G}P -12.616 -1.996 -0.463 { ca gln B 99 1htrB_101F_85G}P -11.179 -2.107 -0.499 { n glu B 100 1htrB_101F_85G}P -9.611 -0.334 -1.201 { ca glu B 100 1htrB_101F_85G}P -9.065 0.603 -2.19 { n phe B 101 1htrB_101F_85G}P -8.233 0.242 -4.454 { ca phe B 101 1htrB_101F_85G}P -7.336 -0.399 -5.429 { n gly B 102 1htrB_101F_85G}P -6.058 0.478 -7.302 { ca gly B 102 1htrB_101F_85G}P -5.794 1.42 -8.373 {"}P -5.794 1.42 -8.373 { n leu B 103 1htrB_101F_85G}P -6.869 1.769 -10.467 { ca leu B 103 1htrB_101F_85G}P -7.371 1.442 -11.754 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca phe B 83 1htrB_101F_85G}P -7.167 6.722 -10.151 {"}-7.167 6.722 -10.151 { ca phe B 84 1htrB_101F_85G}-8.289 4.944 -6.986 { ca gly B 85 1htrB_101F_85G}-11.594 3.071 -6.751 { ca tyr B 86 1htrB_101F_85G}-13.168 1.206 -3.857 { ca asp B 87 1htrB_101F_85G}-15.025 -2.091 -4.249 { ca gln B 99 1htrB_101F_85G}P -11.179 -2.107 -0.499 {"}-11.179 -2.107 -0.499 { ca glu B 100 1htrB_101F_85G}-9.065 0.603 -2.19 { ca phe B 101 1htrB_101F_85G}-7.336 -0.399 -5.429 { ca gly B 102 1htrB_101F_85G}-5.794 1.42 -8.373 { ca leu B 103 1htrB_101F_85G}-7.371 1.442 -11.754 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca phe B 83 1htrB_101F_85G}P -7.167 6.722 -10.151 { ca phe B 84 1htrB_101F_85G}P -8.289 4.944 -6.986 { ca tyr B 86 1htrB_101F_85G}P -13.168 1.206 -3.857 { ca asp B 87 1htrB_101F_85G}P -15.025 -2.091 -4.249 { ca gln B 99 1htrB_101F_85G}P -11.179 -2.107 -0.499 { ca glu B 100 1htrB_101F_85G}P -9.065 0.603 -2.19 { ca phe B 101 1htrB_101F_85G}P -7.336 -0.399 -5.429 { ca leu B 103 1htrB_101F_85G}P -7.371 1.442 -11.754 @subgroup {sidechain} off @vectorlist {sc} color= blue alpha= 0.2353 master= {sidechain} { ca phe B 101 1htrB_101F_85G}P -7.336 -0.399 -5.429 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 101 B}'M' greentint -9.121 1.975 -7.321 {"}'M' greentint -9.021 2.208 -7.311 {"}'M' greentint -8.876 2.416 -7.302 {"}'M' greentint -9.219 1.961 -7.081 {"}'M' greentint -9.126 2.199 -7.07 {"}'M' greentint -8.988 2.415 -7.061 {"}'M' greentint -8.813 2.601 -7.053 {"}'M' greentint -8.605 2.751 -7.046 {"}'M' greentint -9.295 1.835 -6.832 {"}'M' greentint -9.225 2.082 -6.821 {"}'M' greentint -9.11 2.312 -6.811 {"}'M' greentint -8.955 2.517 -6.802 {"}'M' greentint -8.765 2.69 -6.795 {"}'M' greentint -9.297 1.815 -6.574 {"}'M' greentint -9.228 2.063 -6.563 {"}'M' greentint -9.115 2.294 -6.553 {"}'M' greentint -8.961 2.5 -6.544 {"}'M' greentint -8.772 2.674 -6.537 {"}'M' greentint -9.217 1.935 -6.315 {"}'M' greentint -9.122 2.173 -6.304 {"}'M' greentint -8.983 2.388 -6.295 {"}'M' greentint -8.807 2.573 -6.287 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 85 B}'M' greentint -8.736 2.451 -7.29 {"}'M' greentint -8.846 2.217 -7.301 {"}'M' greentint -9.02 2.027 -7.309 {"}'M' greentint -8.633 2.438 -7.049 {"}'M' greentint -8.729 2.205 -7.06 {"}'M' greentint -8.883 2.005 -7.068 {"}'M' greentint -9.083 1.852 -7.075 {"}'M' greentint -8.6 2.687 -7.039 {"}'M' greentint -8.595 2.435 -6.791 {"}'M' greentint -8.686 2.202 -6.801 {"}'M' greentint -8.832 1.998 -6.81 {"}'M' greentint -9.023 1.837 -6.817 {"}'M' greentint -9.249 1.728 -6.821 {"}'M' greentint -8.566 2.684 -6.78 {"}'M' greentint -8.633 2.415 -6.532 {"}'M' greentint -8.729 2.182 -6.542 {"}'M' greentint -8.883 1.982 -6.551 {"}'M' greentint -9.083 1.829 -6.558 {"}'M' greentint -8.6 2.665 -6.521 {"}'M' greentint -8.736 2.407 -6.291 {"}'M' greentint -8.846 2.174 -6.301 {"}'M' greentint -9.02 1.983 -6.31 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 101 B}'M' greentint -9.723 1.058 -5.331 {"}'M' greentint -9.649 1.305 -5.32 {"}'M' greentint -9.505 1.519 -5.311 {"}'M' greentint -9.831 0.926 -5.096 {"}'M' greentint -9.798 1.176 -5.085 {"}'M' greentint -9.702 1.409 -5.075 {"}'M' greentint -9.548 1.609 -5.066 {"}'M' greentint -9.348 1.762 -5.059 {"}'M' greentint -9.856 0.782 -4.843 {"}'M' greentint -9.858 1.032 -4.832 {"}'M' greentint -9.798 1.275 -4.821 {"}'M' greentint -9.679 1.496 -4.812 {"}'M' greentint -9.509 1.68 -4.804 {"}'M' greentint -9.298 1.816 -4.798 {"}'M' greentint -9.831 0.904 -4.578 {"}'M' greentint -9.798 1.153 -4.568 {"}'M' greentint -9.702 1.386 -4.557 {"}'M' greentint -9.548 1.586 -4.549 {"}'M' greentint -9.348 1.739 -4.542 {"}'M' greentint -9.723 1.014 -4.332 {"}'M' greentint -9.649 1.261 -4.321 {"}'M' greentint -9.505 1.476 -4.312 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 85 B}'M' green -9.508 1.378 -5.478 {"}'M' green -9.631 1.157 -5.488 {"}'M' green -9.266 1.851 -4.962 {"}'M' green -9.266 1.848 -4.704 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 85 B}'M' greentint -9.336 1.615 -5.227 {"}'M' greentint -9.407 1.369 -5.237 {"}'M' greentint -9.523 1.141 -5.247 {"}'M' greentint -9.68 0.939 -5.256 {"}'M' greentint -9.29 1.595 -4.973 {"}'M' greentint -9.36 1.348 -4.984 {"}'M' greentint -9.475 1.117 -4.994 {"}'M' greentint -9.63 0.912 -5.003 {"}'M' greentint -9.82 0.739 -5.011 {"}'M' greentint -9.288 1.592 -4.715 {"}'M' greentint -9.357 1.344 -4.726 {"}'M' greentint -9.47 1.113 -4.736 {"}'M' greentint -9.624 0.907 -4.745 {"}'M' greentint -9.813 0.733 -4.752 {"}'M' greentint -9.338 1.574 -4.461 {"}'M' greentint -9.41 1.328 -4.472 {"}'M' greentint -9.527 1.101 -4.482 {"}'M' greentint -9.685 0.9 -4.491 {"}'M' greentint -9.505 1.331 -4.231 {"}'M' greentint -9.627 1.109 -4.24 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n val A 4 1j31A_6Y_231G}P -11.349 -0.678 1.446 {"}-11.349 -0.678 1.446 { ca val A 4 1j31A_6Y_231G}-10.368 -1.316 0.551 { c val A 4 1j31A_6Y_231G}-10.529 -0.684 -0.814 { o val A 4 1j31A_6Y_231G}-11.558 -0.067 -1.096 { c val A 4 1j31A_6Y_231G}P -10.529 -0.684 -0.814 { n gly A 5 1j31A_6Y_231G}-9.527 -0.843 -1.673 { ca gly A 5 1j31A_6Y_231G}-9.664 -0.215 -2.976 { c gly A 5 1j31A_6Y_231G}-8.762 -0.763 -4.054 { o gly A 5 1j31A_6Y_231G}-7.83 -1.534 -3.784 { c gly A 5 1j31A_6Y_231G}P -8.762 -0.763 -4.054 { n tyr A 6 1j31A_6Y_231G}-9.099 -0.412 -5.299 { ca tyr A 6 1j31A_6Y_231G}-8.259 -0.754 -6.439 { c tyr A 6 1j31A_6Y_231G}-7.561 0.515 -6.901 { o tyr A 6 1j31A_6Y_231G}-8.049 1.636 -6.644 { c tyr A 6 1j31A_6Y_231G}P -7.561 0.515 -6.901 { n ile A 7 1j31A_6Y_231G}-6.397 0.326 -7.503 { ca ile A 7 1j31A_6Y_231G}-5.625 1.412 -8.1 { c ile A 7 1j31A_6Y_231G}-5.641 1.12 -9.607 { o ile A 7 1j31A_6Y_231G}-4.985 0.169 -10.046 { c ile A 7 1j31A_6Y_231G}P -5.641 1.12 -9.607 { n gln A 8 1j31A_6Y_231G}-6.396 1.91 -10.39 { ca gln A 8 1j31A_6Y_231G}-6.452 1.707 -11.842 { c gln A 8 1j31A_6Y_231G}-5.445 2.671 -12.429 { o gln A 8 1j31A_6Y_231G}-5.646 3.877 -12.394 { n glu A 229 1j31A_6Y_231G}P -7.536 6.085 -12.081 {"}-7.536 6.085 -12.081 { ca glu A 229 1j31A_6Y_231G}-8.358 6.511 -10.954 { c glu A 229 1j31A_6Y_231G}-8.28 5.477 -9.834 { o glu A 229 1j31A_6Y_231G}-7.774 4.374 -10.026 { c glu A 229 1j31A_6Y_231G}P -8.28 5.477 -9.834 { n ile A 230 1j31A_6Y_231G}-8.768 5.836 -8.658 { ca ile A 230 1j31A_6Y_231G}-8.824 4.879 -7.549 { c ile A 230 1j31A_6Y_231G}-10.323 4.633 -7.264 { o ile A 230 1j31A_6Y_231G}-11.188 5.379 -7.729 { c ile A 230 1j31A_6Y_231G}P -10.323 4.633 -7.264 { n gly A 231 1j31A_6Y_231G}-10.623 3.543 -6.565 { ca gly A 231 1j31A_6Y_231G}-11.972 3.197 -6.19 { c gly A 231 1j31A_6Y_231G}-11.834 2.621 -4.797 { o gly A 231 1j31A_6Y_231G}-11.251 1.543 -4.634 { c gly A 231 1j31A_6Y_231G}P -11.834 2.621 -4.797 { n val A 232 1j31A_6Y_231G}-12.345 3.344 -3.791 { ca val A 232 1j31A_6Y_231G}-12.244 2.91 -2.402 { c val A 232 1j31A_6Y_231G}-13.643 2.779 -1.827 { o val A 232 1j31A_6Y_231G}-14.444 3.716 -1.907 { c val A 232 1j31A_6Y_231G}P -13.643 2.779 -1.827 { n val A 233 1j31A_6Y_231G}-13.938 1.622 -1.244 { ca val A 233 1j31A_6Y_231G}-15.249 1.405 -0.647 { c val A 233 1j31A_6Y_231G}-15.168 0.64 0.67 { o val A 233 1j31A_6Y_231G}-14.225 -0.114 0.918 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n val A 4 1j31A_6Y_231G}P -11.349 -0.678 1.446 { ca val A 4 1j31A_6Y_231G}P -10.368 -1.316 0.551 { n gly A 5 1j31A_6Y_231G}P -9.527 -0.843 -1.673 { ca gly A 5 1j31A_6Y_231G}P -9.664 -0.215 -2.976 {"}P -9.664 -0.215 -2.976 { n tyr A 6 1j31A_6Y_231G}P -9.099 -0.412 -5.299 { ca tyr A 6 1j31A_6Y_231G}P -8.259 -0.754 -6.439 { n ile A 7 1j31A_6Y_231G}P -6.397 0.326 -7.503 { ca ile A 7 1j31A_6Y_231G}P -5.625 1.412 -8.1 { n gln A 8 1j31A_6Y_231G}P -6.396 1.91 -10.39 { ca gln A 8 1j31A_6Y_231G}P -6.452 1.707 -11.842 { n glu A 229 1j31A_6Y_231G}P -7.536 6.085 -12.081 { ca glu A 229 1j31A_6Y_231G}P -8.358 6.511 -10.954 { n ile A 230 1j31A_6Y_231G}P -8.768 5.836 -8.658 { ca ile A 230 1j31A_6Y_231G}P -8.824 4.879 -7.549 { n gly A 231 1j31A_6Y_231G}P -10.623 3.543 -6.565 { ca gly A 231 1j31A_6Y_231G}P -11.972 3.197 -6.19 {"}P -11.972 3.197 -6.19 { n val A 232 1j31A_6Y_231G}P -12.345 3.344 -3.791 { ca val A 232 1j31A_6Y_231G}P -12.244 2.91 -2.402 { n val A 233 1j31A_6Y_231G}P -13.938 1.622 -1.244 { ca val A 233 1j31A_6Y_231G}P -15.249 1.405 -0.647 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca val A 4 1j31A_6Y_231G}P -10.368 -1.316 0.551 {"}-10.368 -1.316 0.551 { ca gly A 5 1j31A_6Y_231G}-9.664 -0.215 -2.976 { ca tyr A 6 1j31A_6Y_231G}-8.259 -0.754 -6.439 { ca ile A 7 1j31A_6Y_231G}-5.625 1.412 -8.1 { ca gln A 8 1j31A_6Y_231G}-6.452 1.707 -11.842 { ca glu A 229 1j31A_6Y_231G}P -8.358 6.511 -10.954 {"}-8.358 6.511 -10.954 { ca ile A 230 1j31A_6Y_231G}-8.824 4.879 -7.549 { ca gly A 231 1j31A_6Y_231G}-11.972 3.197 -6.19 { ca val A 232 1j31A_6Y_231G}-12.244 2.91 -2.402 { ca val A 233 1j31A_6Y_231G}-15.249 1.405 -0.647 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca val A 4 1j31A_6Y_231G}P -10.368 -1.316 0.551 { ca tyr A 6 1j31A_6Y_231G}P -8.259 -0.754 -6.439 { cb tyr A 6 1j31A_6Y_231G}-9.06 -1.327 -7.644 { cg tyr A 6 1j31A_6Y_231G}-10.24 -0.483 -8.11 { cd1 tyr A 6 1j31A_6Y_231G}-10.068 0.757 -8.784 { ce1 tyr A 6 1j31A_6Y_231G}-11.208 1.515 -9.211 { cz tyr A 6 1j31A_6Y_231G}-12.49 1.019 -8.944 { oh tyr A 6 1j31A_6Y_231G}-13.63 1.755 -9.257 { cg tyr A 6 1j31A_6Y_231G}P -10.24 -0.483 -8.11 { cd2 tyr A 6 1j31A_6Y_231G}-11.534 -0.929 -7.887 { ce2 tyr A 6 1j31A_6Y_231G}-12.651 -0.185 -8.301 { cz tyr A 6 1j31A_6Y_231G}ghost -12.49 1.019 -8.944 { ca ile A 7 1j31A_6Y_231G}P -5.625 1.412 -8.1 { ca gln A 8 1j31A_6Y_231G}P -6.452 1.707 -11.842 { ca glu A 229 1j31A_6Y_231G}P -8.358 6.511 -10.954 { ca ile A 230 1j31A_6Y_231G}P -8.824 4.879 -7.549 { ca val A 232 1j31A_6Y_231G}P -12.244 2.91 -2.402 { ca val A 233 1j31A_6Y_231G}P -15.249 1.405 -0.647 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 6 1j31A_6Y_231G}P -9.06 -1.327 -7.644 {"}P -9.06 -1.327 -7.644 { cd1 tyr A 6 1j31A_6Y_231G}P -10.068 0.757 -8.784 { cd2 tyr A 6 1j31A_6Y_231G}P -11.534 -0.929 -7.887 { ce1 tyr A 6 1j31A_6Y_231G}P -11.208 1.515 -9.211 { ce2 tyr A 6 1j31A_6Y_231G}P -12.651 -0.185 -8.301 { oh tyr A 6 1j31A_6Y_231G}P -13.63 1.755 -9.257 @subgroup {sidechain} off @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 6 1j31A_6Y_231G}P -8.259 -0.754 -6.439 { cb tyr A 6 1j31A_6Y_231G}-9.06 -1.327 -7.644 { cg tyr A 6 1j31A_6Y_231G}-10.24 -0.483 -8.11 { cd1 tyr A 6 1j31A_6Y_231G}-10.068 0.757 -8.784 { ce1 tyr A 6 1j31A_6Y_231G}-11.208 1.515 -9.211 { cz tyr A 6 1j31A_6Y_231G}-12.49 1.019 -8.944 { oh tyr A 6 1j31A_6Y_231G}-13.63 1.755 -9.257 { cg tyr A 6 1j31A_6Y_231G}P -10.24 -0.483 -8.11 { cd2 tyr A 6 1j31A_6Y_231G}-11.534 -0.929 -7.887 { ce2 tyr A 6 1j31A_6Y_231G}-12.651 -0.185 -8.301 { cz tyr A 6 1j31A_6Y_231G}ghost -12.49 1.019 -8.944 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 6 1j31A_6Y_231G}P -9.06 -1.327 -7.644 {"}P -9.06 -1.327 -7.644 { cd1 tyr A 6 1j31A_6Y_231G}P -10.068 0.757 -8.784 { cd2 tyr A 6 1j31A_6Y_231G}P -11.534 -0.929 -7.887 { ce1 tyr A 6 1j31A_6Y_231G}P -11.208 1.515 -9.211 { ce2 tyr A 6 1j31A_6Y_231G}P -12.651 -0.185 -8.301 { oh tyr A 6 1j31A_6Y_231G}P -13.63 1.755 -9.257 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 6 A}'P' sky -12.854 1.119 -7.152 {"}'P' sky -12.09 1.014 -7.156 {"}'P' blue -12.587 0.946 -6.968 {"}'P' blue -12.333 0.905 -6.969 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 6 A}'P' green -12.11 2.495 -8.076 {"}'P' green -11.899 2.647 -8.069 {"}'P' green -11.649 2.564 -7.881 {"}'P' green -11.659 1.692 -7.529 {"}'P' green -11.473 1.884 -7.521 { CE2 TYR 6 A}'P' sea -12.594 1.133 -7.151 {"}'P' sea -12.336 1.098 -7.153 { CZ TYR 6 A}'P' green -13.158 1.947 -7.619 {"}'P' green -12.755 1.388 -7.254 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 TYR 6 A}'P' P -11.876 2.443 -7.886 {"}'P' -11.869 2.433 -7.901 {"}'P' P -11.708 2.301 -7.729 {"}'P' -11.699 2.287 -7.756 {"}'P' P -11.79 1.934 -7.615 {"}'P' -11.777 1.925 -7.65 {"}'P' P -11.588 2.103 -7.607 {"}'P' -11.585 2.1 -7.616 { CZ TYR 6 A}'P' P -12.683 2.483 -8.004 {"}'P' -12.681 2.475 -8.009 {"}'P' P -12.426 2.494 -8.004 {"}'P' -12.427 2.471 -8.018 {"}'P' P -12.171 2.461 -8.005 {"}'P' -12.173 2.45 -8.012 {"}'P' P -12.945 2.26 -7.798 {"}'P' -12.933 2.228 -7.828 {"}'P' P -12.693 2.323 -7.795 {"}'P' -12.681 2.246 -7.863 {"}'P' P -12.433 2.337 -7.794 {"}'P' -12.437 2.242 -7.877 {"}'P' P -12.175 2.302 -7.796 {"}'P' -12.195 2.222 -7.867 {"}'P' P -12.931 2.068 -7.614 {"}'P' -12.907 2.011 -7.686 {"}'P' P -12.683 2.137 -7.611 {"}'P' -12.665 2.032 -7.736 {"}'P' P -12.426 2.15 -7.611 {"}'P' -12.433 2.027 -7.755 {"}'P' P -12.172 2.109 -7.612 {"}'P' -12.201 2.007 -7.737 {"}'P' P -11.932 2.014 -7.617 {"}'P' -11.963 1.96 -7.688 {"}'P' P -12.99 1.805 -7.462 {"}'P' -12.973 1.778 -7.512 {"}'P' P -12.753 1.905 -7.458 {"}'P' -12.731 1.83 -7.585 {"}'P' P -12.498 1.941 -7.456 {"}'P' -12.497 1.838 -7.622 {"}'P' P -12.243 1.909 -7.458 {"}'P' -12.268 1.819 -7.609 {"}'P' P -12.004 1.813 -7.462 {"}'P' -12.034 1.765 -7.551 {"}'P' P -11.799 1.658 -7.469 {"}'P' -11.799 1.658 -7.47 {"}'P' P -12.87 1.607 -7.34 {"}'P' -12.859 1.591 -7.383 {"}'P' P -12.622 1.697 -7.336 {"}'P' -12.612 1.648 -7.453 {"}'P' P -12.358 1.697 -7.336 {"}'P' -12.369 1.643 -7.464 {"}'P' P -12.11 1.607 -7.34 {"}'P' -12.127 1.581 -7.411 {"}'P' P -12.499 1.461 -7.251 {"}'P' -12.498 1.449 -7.298 {"}'P' P -12.24 1.397 -7.254 {"}'P' -12.242 1.394 -7.267 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 6 A}'P' blue -13.203 2.55 -8.187 {"}'P' sky -13.261 2.341 -8.04 {"}'P' sky -13.384 2.14 -7.933 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 231 A}'P' blue -12.094 1.34 -6.936 {"}'P' sky -12.344 1.299 -6.938 {"}'P' sky -12.596 1.313 -6.937 {"}'P' sky -12.84 1.38 -6.934 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 231 A}'P' sea -11.972 2.773 -7.929 {"}'P' green -11.899 2.52 -7.94 {"}'P' green -11.678 2.506 -7.801 {"}'P' green -11.527 2.248 -7.627 {"}'P' green -11.474 1.999 -7.416 {"}'P' green -11.618 1.79 -7.425 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 231 A}'P' P -12.407 2.517 -8.056 {"}'P' -12.407 2.517 -8.053 {"}'P' P -12.277 2.291 -8.036 {"}'P' -12.286 2.304 -7.951 {"}'P' P -12.537 2.291 -8.036 {"}'P' -12.527 2.305 -7.945 {"}'P' P -11.963 2.266 -7.951 {"}'P' -11.982 2.274 -7.905 {"}'P' P -12.146 2.077 -7.959 {"}'P' -12.175 2.121 -7.838 {"}'P' P -12.399 2.005 -7.962 {"}'P' -12.4 2.075 -7.799 {"}'P' P -12.653 2.069 -7.959 {"}'P' -12.622 2.12 -7.821 {"}'P' P -12.842 2.251 -7.952 {"}'P' -12.818 2.263 -7.893 {"}'P' P -11.722 2.257 -7.812 {"}'P' -11.746 2.264 -7.778 {"}'P' P -11.848 2.037 -7.821 {"}'P' -11.88 2.062 -7.768 {"}'P' P -12.042 1.875 -7.828 {"}'P' -12.085 1.944 -7.718 {"}'P' P -12.28 1.788 -7.832 {"}'P' -12.301 1.899 -7.678 {"}'P' P -12.534 1.788 -7.832 {"}'P' -12.512 1.903 -7.672 {"}'P' P -12.772 1.875 -7.828 {"}'P' -12.722 1.955 -7.701 {"}'P' P -12.966 2.037 -7.821 {"}'P' -12.927 2.067 -7.757 {"}'P' P -11.633 2.011 -7.637 {"}'P' -11.648 2.02 -7.622 {"}'P' P -11.802 1.813 -7.646 {"}'P' -11.822 1.835 -7.62 {"}'P' P -12.019 1.67 -7.652 {"}'P' -12.057 1.748 -7.577 {"}'P' P -12.269 1.594 -7.655 {"}'P' -12.288 1.714 -7.55 {"}'P' P -12.529 1.592 -7.655 {"}'P' -12.511 1.719 -7.544 {"}'P' P -12.779 1.663 -7.652 {"}'P' -12.735 1.758 -7.561 {"}'P' P -13 1.802 -7.646 {"}'P' -12.961 1.845 -7.597 {"}'P' P -12.033 1.503 -7.437 {"}'P' -12.05 1.546 -7.413 {"}'P' P -12.28 1.443 -7.44 {"}'P' -12.289 1.518 -7.399 {"}'P' P -12.534 1.443 -7.44 {"}'P' -12.524 1.524 -7.396 {"}'P' P -12.781 1.503 -7.437 {"}'P' -12.758 1.561 -7.404 {"}'P' P -13.006 1.621 -7.432 {"}'P' -12.995 1.637 -7.422 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 6 A}'M' sky -8.937 2.664 -6.983 {"}'M' sky -9.389 1.747 -6.256 {"}'M' sky -8.982 2.213 -5.774 @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 6 A}'M' sea -9.25 2.262 -7 {"}'M' sea -9.112 2.478 -6.991 {"}'M' sea -9.419 1.898 -6.762 {"}'M' green -9.349 2.145 -6.751 {"}'M' green -9.079 2.58 -6.732 {"}'M' sea -8.889 2.753 -6.725 {"}'M' sea -9.421 1.878 -6.504 {"}'M' green -8.896 2.737 -6.467 {"}'M' green -9.341 1.998 -6.245 {"}'M' green -8.931 2.636 -6.217 {"}'M' sea -8.722 2.784 -6.21 {"}'M' sea -9.247 1.976 -6.005 {"}'M' green -9.149 2.209 -5.994 {"}'M' green -9.005 2.418 -5.985 {"}'M' sea -8.822 2.594 -5.978 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 6 A}'M' greentint -9.234 2.375 -6.741 {"}'M' greentint -9.352 2.126 -6.493 {"}'M' greentint -9.239 2.357 -6.483 {"}'M' greentint -9.085 2.563 -6.474 {"}'M' greentint -9.246 2.236 -6.234 {"}'M' greentint -9.107 2.451 -6.225 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 231 A}'M' sea -9.277 2.664 -6.967 {"}'M' sea -9.413 2.443 -6.976 {"}'M' green -9.106 2.663 -6.759 {"}'M' green -9.216 2.429 -6.77 {"}'M' green -9.39 2.239 -6.778 {"}'M' sea -9.612 2.107 -6.784 {"}'M' sea -9.07 2.918 -6.748 {"}'M' green -9.453 2.064 -6.544 {"}'M' sea -8.97 2.899 -6.508 {"}'M' green -8.965 2.647 -6.26 {"}'M' green -9.393 2.049 -6.286 {"}'M' sea -9.619 1.94 -6.29 {"}'M' sea -8.936 2.896 -6.249 {"}'M' green -9.003 2.627 -6.001 {"}'M' green -9.099 2.394 -6.011 {"}'M' green -9.253 2.194 -6.02 {"}'M' sea -9.453 2.041 -6.027 {"}'M' sea -9.216 2.386 -5.77 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 231 A}'M' greentint -9.003 2.65 -6.518 {"}'M' greentint -9.099 2.417 -6.529 {"}'M' greentint -9.253 2.217 -6.537 {"}'M' greentint -9.056 2.414 -6.27 {"}'M' greentint -9.202 2.21 -6.279 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 6 A}'M' green -10.611 0.791 -5.762 {"}'M' green -10.411 0.944 -5.755 {"}'M' green -10.861 0.457 -5.517 {"}'M' green -10.123 1.077 -5.49 {"}'M' green -10.861 0.335 -5.264 {"}'M' green -10.786 0.196 -5.028 {"}'M' green -10.623 0.196 -4.821 {"}'M' green -10.365 0.302 -4.657 {"}'M' green -10.185 0.488 -4.649 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 6 A}'M' greentint -10.742 0.678 -5.508 {"}'M' greentint -10.572 0.862 -5.5 {"}'M' greentint -10.361 0.998 -5.494 {"}'M' greentint -10.765 0.568 -5.253 {"}'M' greentint -10.611 0.768 -5.245 {"}'M' greentint -10.411 0.921 -5.238 {"}'M' greentint -10.178 1.018 -5.234 {"}'M' greentint -10.712 0.443 -5.017 {"}'M' greentint -10.568 0.658 -5.008 {"}'M' greentint -10.368 0.82 -5.001 {"}'M' greentint -10.129 0.917 -4.997 {"}'M' greentint -10.529 0.438 -4.81 {"}'M' greentint -10.354 0.63 -4.802 {"}'M' greentint -10.122 0.746 -4.797 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 231 A}'M' green -10.445 1.099 -5.689 {"}'M' green -10.607 0.899 -5.698 {"}'M' green -10.817 0.751 -5.704 {"}'M' green -10.249 1.086 -5.498 {"}'M' green -10.099 1.076 -5.279 {"}'M' green -9.998 1.067 -5.038 {"}'M' green -10.926 0.254 -5.074 {"}'M' green -10.066 0.815 -4.795 {"}'M' green -10.63 0.302 -4.817 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 231 A}'M' greentint -10.39 0.869 -5.508 {"}'M' greentint -10.577 0.689 -5.516 {"}'M' greentint -10.801 0.558 -5.521 {"}'M' greentint -10.222 0.855 -5.289 {"}'M' greentint -10.388 0.663 -5.297 {"}'M' greentint -10.588 0.508 -5.304 {"}'M' greentint -10.816 0.396 -5.309 {"}'M' greentint -10.114 0.839 -5.048 {"}'M' greentint -10.271 0.637 -5.057 {"}'M' greentint -10.463 0.469 -5.064 {"}'M' greentint -10.684 0.339 -5.07 {"}'M' greentint -10.221 0.61 -4.804 {"}'M' greentint -10.411 0.437 -4.812 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n met B 212 1jmxB_214Y_234}P -12.317 -2.375 0.233 {"}-12.317 -2.375 0.233 { ca met B 212 1jmxB_214Y_234}-10.903 -2.284 -0.095 { c met B 212 1jmxB_214Y_234}-10.727 -1.212 -1.152 { o met B 212 1jmxB_214Y_234}-11.644 -0.957 -1.927 { c met B 212 1jmxB_214Y_234}P -10.727 -1.212 -1.152 { n leu B 213 1jmxB_214Y_234}-9.575 -0.542 -1.145 { ca leu B 213 1jmxB_214Y_234}-9.276 0.456 -2.165 { c leu B 213 1jmxB_214Y_234}-8.519 -0.282 -3.268 { o leu B 213 1jmxB_214Y_234}-7.959 -1.365 -3.049 { c leu B 213 1jmxB_214Y_234}P -8.519 -0.282 -3.268 { n tyr B 214 1jmxB_214Y_234}-8.538 0.292 -4.46 { ca tyr B 214 1jmxB_214Y_234}-7.825 -0.267 -5.591 { c tyr B 214 1jmxB_214Y_234}-7.444 0.877 -6.515 { o tyr B 214 1jmxB_214Y_234}-7.924 1.996 -6.344 { c tyr B 214 1jmxB_214Y_234}P -7.444 0.877 -6.515 { n thr B 215 1jmxB_214Y_234}-6.508 0.622 -7.423 { ca thr B 215 1jmxB_214Y_234}-6.104 1.624 -8.397 { c thr B 215 1jmxB_214Y_234}-6.347 0.981 -9.745 { o thr B 215 1jmxB_214Y_234}-6.352 -0.247 -9.859 { c thr B 215 1jmxB_214Y_234}P -6.347 0.981 -9.745 { n ile B 216 1jmxB_214Y_234}-6.602 1.796 -10.756 { ca ile B 216 1jmxB_214Y_234}-6.845 1.269 -12.091 { c ile B 216 1jmxB_214Y_234}-6.429 2.308 -13.118 { o ile B 216 1jmxB_214Y_234}-6.51 3.507 -12.859 { n leu B 232 1jmxB_214Y_234}P -6.305 6.153 -11.549 {"}-6.305 6.153 -11.549 { ca leu B 232 1jmxB_214Y_234}-7.454 6.457 -10.704 { c leu B 232 1jmxB_214Y_234}-7.501 5.584 -9.448 { o leu B 232 1jmxB_214Y_234}-6.962 4.476 -9.424 { c leu B 232 1jmxB_214Y_234}P -7.501 5.584 -9.448 { n tyr B 233 1jmxB_214Y_234}-8.13 6.102 -8.398 { ca tyr B 233 1jmxB_214Y_234}-8.313 5.34 -7.175 { c tyr B 233 1jmxB_214Y_234}-9.779 4.945 -7.143 { o tyr B 233 1jmxB_214Y_234}-10.656 5.717 -7.535 { c tyr B 233 1jmxB_214Y_234}P -9.779 4.945 -7.143 { n gly B 234 1jmxB_214Y_234}-10.032 3.715 -6.729 { ca gly B 234 1jmxB_214Y_234}-11.387 3.231 -6.656 { c gly B 234 1jmxB_214Y_234}-11.691 2.654 -5.293 { o gly B 234 1jmxB_214Y_234}-10.81 2.481 -4.442 { c gly B 234 1jmxB_214Y_234}P -11.691 2.654 -5.293 { n tyr B 235 1jmxB_214Y_234}-12.963 2.35 -5.101 { ca tyr B 235 1jmxB_214Y_234}-13.461 1.786 -3.869 { c tyr B 235 1jmxB_214Y_234}-14.352 0.62 -4.262 { o tyr B 235 1jmxB_214Y_234}-15.21 0.733 -5.139 { c tyr B 235 1jmxB_214Y_234}P -14.352 0.62 -4.262 { n leu B 236 1jmxB_214Y_234}-14.102 -0.512 -3.628 { ca leu B 236 1jmxB_214Y_234}-14.858 -1.726 -3.863 { c leu B 236 1jmxB_214Y_234}-15.519 -2.041 -2.531 { o leu B 236 1jmxB_214Y_234}-15.006 -1.669 -1.482 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n met B 212 1jmxB_214Y_234}P -12.317 -2.375 0.233 { ca met B 212 1jmxB_214Y_234}P -10.903 -2.284 -0.095 { n leu B 213 1jmxB_214Y_234}P -9.575 -0.542 -1.145 { ca leu B 213 1jmxB_214Y_234}P -9.276 0.456 -2.165 { n tyr B 214 1jmxB_214Y_234}P -8.538 0.292 -4.46 { ca tyr B 214 1jmxB_214Y_234}P -7.825 -0.267 -5.591 { n thr B 215 1jmxB_214Y_234}P -6.508 0.622 -7.423 { ca thr B 215 1jmxB_214Y_234}P -6.104 1.624 -8.397 { n ile B 216 1jmxB_214Y_234}P -6.602 1.796 -10.756 { ca ile B 216 1jmxB_214Y_234}P -6.845 1.269 -12.091 { n leu B 232 1jmxB_214Y_234}P -6.305 6.153 -11.549 { ca leu B 232 1jmxB_214Y_234}P -7.454 6.457 -10.704 { n tyr B 233 1jmxB_214Y_234}P -8.13 6.102 -8.398 { ca tyr B 233 1jmxB_214Y_234}P -8.313 5.34 -7.175 { n gly B 234 1jmxB_214Y_234}P -10.032 3.715 -6.729 { ca gly B 234 1jmxB_214Y_234}P -11.387 3.231 -6.656 {"}P -11.387 3.231 -6.656 { n tyr B 235 1jmxB_214Y_234}P -12.963 2.35 -5.101 { ca tyr B 235 1jmxB_214Y_234}P -13.461 1.786 -3.869 { n leu B 236 1jmxB_214Y_234}P -14.102 -0.512 -3.628 { ca leu B 236 1jmxB_214Y_234}P -14.858 -1.726 -3.863 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca met B 212 1jmxB_214Y_234}P -10.903 -2.284 -0.095 {"}-10.903 -2.284 -0.095 { ca leu B 213 1jmxB_214Y_234}-9.276 0.456 -2.165 { ca tyr B 214 1jmxB_214Y_234}-7.825 -0.267 -5.591 { ca thr B 215 1jmxB_214Y_234}-6.104 1.624 -8.397 { ca ile B 216 1jmxB_214Y_234}-6.845 1.269 -12.091 { ca leu B 232 1jmxB_214Y_234}P -7.454 6.457 -10.704 {"}-7.454 6.457 -10.704 { ca tyr B 233 1jmxB_214Y_234}-8.313 5.34 -7.175 { ca gly B 234 1jmxB_214Y_234}-11.387 3.231 -6.656 { ca tyr B 235 1jmxB_214Y_234}-13.461 1.786 -3.869 { ca leu B 236 1jmxB_214Y_234}-14.858 -1.726 -3.863 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca met B 212 1jmxB_214Y_234}P -10.903 -2.284 -0.095 { ca leu B 213 1jmxB_214Y_234}P -9.276 0.456 -2.165 { ca tyr B 214 1jmxB_214Y_234}P -7.825 -0.267 -5.591 { cb tyr B 214 1jmxB_214Y_234}-8.679 -1.312 -6.334 { cg tyr B 214 1jmxB_214Y_234}-9.93 -0.792 -7.013 { cd1 tyr B 214 1jmxB_214Y_234}-9.883 -0.276 -8.309 { ce1 tyr B 214 1jmxB_214Y_234}-11.042 0.162 -8.953 { cz tyr B 214 1jmxB_214Y_234}-12.261 0.09 -8.297 { oh tyr B 214 1jmxB_214Y_234}-13.396 0.518 -8.924 { cg tyr B 214 1jmxB_214Y_234}P -9.93 -0.792 -7.013 { cd2 tyr B 214 1jmxB_214Y_234}-11.172 -0.855 -6.372 { ce2 tyr B 214 1jmxB_214Y_234}-12.342 -0.415 -7.009 { cz tyr B 214 1jmxB_214Y_234}ghost -12.261 0.09 -8.297 { ca thr B 215 1jmxB_214Y_234}P -6.104 1.624 -8.397 { ca ile B 216 1jmxB_214Y_234}P -6.845 1.269 -12.091 { ca leu B 232 1jmxB_214Y_234}P -7.454 6.457 -10.704 { ca tyr B 233 1jmxB_214Y_234}P -8.313 5.34 -7.175 { ca tyr B 235 1jmxB_214Y_234}P -13.461 1.786 -3.869 { ca leu B 236 1jmxB_214Y_234}P -14.858 -1.726 -3.863 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr B 214 1jmxB_214Y_234}P -8.679 -1.312 -6.334 {"}P -8.679 -1.312 -6.334 { cd1 tyr B 214 1jmxB_214Y_234}P -9.883 -0.276 -8.309 { cd2 tyr B 214 1jmxB_214Y_234}P -11.172 -0.855 -6.372 { ce1 tyr B 214 1jmxB_214Y_234}P -11.042 0.162 -8.953 { ce2 tyr B 214 1jmxB_214Y_234}P -12.342 -0.415 -7.009 { oh tyr B 214 1jmxB_214Y_234}P -13.396 0.518 -8.924 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr B 214 1jmxB_214Y_234}P -7.825 -0.267 -5.591 { cb tyr B 214 1jmxB_214Y_234}-8.679 -1.312 -6.334 { cg tyr B 214 1jmxB_214Y_234}-9.93 -0.792 -7.013 { cd1 tyr B 214 1jmxB_214Y_234}-9.883 -0.276 -8.309 { ce1 tyr B 214 1jmxB_214Y_234}-11.042 0.162 -8.953 { cz tyr B 214 1jmxB_214Y_234}-12.261 0.09 -8.297 { oh tyr B 214 1jmxB_214Y_234}-13.396 0.518 -8.924 { cg tyr B 214 1jmxB_214Y_234}P -9.93 -0.792 -7.013 { cd2 tyr B 214 1jmxB_214Y_234}-11.172 -0.855 -6.372 { ce2 tyr B 214 1jmxB_214Y_234}-12.342 -0.415 -7.009 { cz tyr B 214 1jmxB_214Y_234}ghost -12.261 0.09 -8.297 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr B 214 1jmxB_214Y_234}P -8.679 -1.312 -6.334 {"}P -8.679 -1.312 -6.334 { cd1 tyr B 214 1jmxB_214Y_234}P -9.883 -0.276 -8.309 { cd2 tyr B 214 1jmxB_214Y_234}P -11.172 -0.855 -6.372 { ce1 tyr B 214 1jmxB_214Y_234}P -11.042 0.162 -8.953 { ce2 tyr B 214 1jmxB_214Y_234}P -12.342 -0.415 -7.009 { oh tyr B 214 1jmxB_214Y_234}P -13.396 0.518 -8.924 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 214 B}'P' sky -12.472 1.329 -7.064 {"}'P' sky -12.22 1.318 -6.802 {"}'P' sky -11.477 1.093 -6.812 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 214 B}'P' green -11.494 1.789 -8.492 {"}'P' green -11.238 1.838 -8.49 {"}'P' sea -10.977 1.848 -8.49 {"}'P' green -11.05 1.762 -8.243 {"}'P' sea -10.795 1.743 -8.244 {"}'P' sea -10.723 1.604 -8.014 {"}'P' green -10.985 1.48 -7.803 {"}'P' sea -10.727 1.445 -7.805 {"}'P' green -10.978 1.293 -7.62 { CE2 TYR 214 B}'P' green -11.704 1.214 -7.069 {"}'P' sea -11.469 1.101 -7.074 {"}'P' sea -11.962 1.281 -6.804 {"}'P' sea -11.712 1.205 -6.807 { CZ TYR 214 B}'P' green -12.131 1.834 -8.352 {"}'P' green -11.873 1.795 -8.353 {"}'P' green -11.623 1.719 -8.357 {"}'P' green -12.4 1.822 -8.09 {"}'P' green -12.457 1.766 -7.834 {"}'P' green -12.524 1.668 -7.588 {"}'P' green -12.454 1.554 -7.357 {"}'P' green -12.204 1.408 -7.147 {"}'P' green -11.946 1.373 -7.149 {"}'P' green -11.7 1.289 -7.152 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 TYR 214 B}'P' P -11.305 1.74 -8.244 {"}'P' -11.301 1.717 -8.255 {"}'P' P -11.235 1.626 -8.013 {"}'P' -11.229 1.583 -8.041 {"}'P' P -10.978 1.637 -8.013 {"}'P' -10.978 1.633 -8.015 {"}'P' P -11.245 1.466 -7.804 {"}'P' -11.241 1.443 -7.825 { CZ TYR 214 B}'P' P -12.139 1.823 -8.09 {"}'P' -12.141 1.787 -8.095 {"}'P' P -11.881 1.786 -8.092 {"}'P' -11.899 1.707 -8.102 {"}'P' P -11.631 1.71 -8.095 {"}'P' -11.66 1.636 -8.105 {"}'P' P -12.196 1.776 -7.834 {"}'P' -12.198 1.708 -7.852 {"}'P' P -11.936 1.746 -7.835 {"}'P' -11.96 1.624 -7.869 {"}'P' P -11.684 1.677 -7.838 {"}'P' -11.729 1.553 -7.874 {"}'P' P -11.446 1.57 -7.843 {"}'P' -11.488 1.494 -7.866 {"}'P' P -12.269 1.69 -7.587 {"}'P' -12.269 1.644 -7.607 {"}'P' P -12.014 1.671 -7.588 {"}'P' -12.031 1.564 -7.636 {"}'P' P -11.765 1.612 -7.591 {"}'P' -11.805 1.492 -7.647 {"}'P' P -11.529 1.516 -7.595 {"}'P' -11.572 1.431 -7.637 {"}'P' P -11.31 1.384 -7.601 {"}'P' -11.324 1.364 -7.611 {"}'P' P -12.197 1.565 -7.357 {"}'P' -12.198 1.54 -7.373 {"}'P' P -11.942 1.532 -7.358 {"}'P' -11.956 1.467 -7.4 {"}'P' P -11.696 1.457 -7.361 {"}'P' -11.72 1.398 -7.402 {"}'P' P -11.466 1.341 -7.367 {"}'P' -11.477 1.325 -7.378 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 234 B}'P' sky -11.419 1.394 -6.964 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 234 B}'P' sea -11.285 2.073 -8.498 {"}'P' sea -11.538 2.001 -8.501 {"}'P' sea -10.987 2.033 -8.36 {"}'P' green -11.181 1.871 -8.367 {"}'P' green -11.419 1.784 -8.371 {"}'P' green -11.673 1.784 -8.371 {"}'P' green -11.911 1.871 -8.367 {"}'P' green -10.941 1.809 -8.185 {"}'P' sea -10.757 1.786 -7.964 {"}'P' green -10.947 1.617 -7.971 {"}'P' green -10.828 1.587 -7.725 {"}'P' green -11.044 1.45 -7.731 {"}'P' green -12.433 1.756 -7.717 {"}'P' sea -10.998 1.429 -7.471 {"}'P' green -11.233 1.336 -7.475 {"}'P' green -12.395 1.658 -7.461 {"}'P' green -11.538 1.311 -7.216 {"}'P' green -12.251 1.555 -7.205 {"}'P' sea -11.673 1.394 -6.964 {"}'P' sea -11.92 1.455 -6.962 {"}'P' sea -12.145 1.573 -6.957 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 234 B}'P' P -11.158 1.666 -8.191 {"}'P' -11.168 1.686 -8.171 {"}'P' P -11.408 1.59 -8.194 {"}'P' -11.413 1.625 -8.164 {"}'P' P -11.668 1.588 -8.194 {"}'P' -11.661 1.639 -8.15 {"}'P' P -11.918 1.659 -8.191 {"}'P' -11.896 1.707 -8.145 {"}'P' P -12.139 1.798 -8.185 {"}'P' -12.13 1.807 -8.174 {"}'P' P -11.172 1.499 -7.976 {"}'P' -11.186 1.536 -7.955 {"}'P' P -11.419 1.439 -7.979 {"}'P' -11.426 1.495 -7.948 {"}'P' P -11.673 1.439 -7.979 {"}'P' -11.66 1.546 -7.921 {"}'P' P -11.92 1.499 -7.976 {"}'P' -11.878 1.608 -7.914 {"}'P' P -12.145 1.617 -7.971 {"}'P' -12.098 1.684 -7.928 {"}'P' P -12.335 1.786 -7.964 {"}'P' -12.328 1.792 -7.959 {"}'P' P -11.284 1.364 -7.735 {"}'P' -11.29 1.387 -7.728 {"}'P' P -11.538 1.334 -7.736 {"}'P' -11.539 1.433 -7.709 {"}'P' P -11.792 1.361 -7.735 {"}'P' -11.762 1.494 -7.697 {"}'P' P -12.034 1.443 -7.731 {"}'P' -11.978 1.559 -7.696 {"}'P' P -12.251 1.577 -7.725 {"}'P' -12.204 1.637 -7.705 {"}'P' P -11.483 1.295 -7.477 {"}'P' -11.485 1.344 -7.475 {"}'P' P -11.735 1.309 -7.476 {"}'P' -11.72 1.402 -7.472 {"}'P' P -11.979 1.376 -7.473 {"}'P' -11.943 1.468 -7.469 {"}'P' P -12.203 1.495 -7.468 {"}'P' -12.169 1.543 -7.466 {"}'P' P -11.792 1.338 -7.214 {"}'P' -11.788 1.354 -7.217 {"}'P' P -12.034 1.42 -7.211 {"}'P' -12.03 1.428 -7.212 @subgroup {1->2} dominant @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { O TYR 214 B}'M' P -9.109 2.735 -6.441 {"}'M' -9.106 2.733 -6.441 {"}'M' P -8.954 2.94 -6.432 {"}'M' -8.953 2.939 -6.432 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 214 B}'M' greentint -8.862 2.639 -7.16 {"}'M' greentint -8.697 2.839 -7.152 {"}'M' greentint -9.12 2.398 -6.951 {"}'M' greentint -9.02 2.631 -6.941 {"}'M' greentint -8.875 2.839 -6.932 {"}'M' greentint -8.691 3.013 -6.924 {"}'M' greentint -8.476 3.147 -6.918 {"}'M' greentint -9.265 2.132 -6.722 {"}'M' greentint -9.218 2.384 -6.711 {"}'M' greentint -9.125 2.622 -6.7 {"}'M' greentint -8.987 2.838 -6.691 {"}'M' greentint -8.812 3.024 -6.683 {"}'M' greentint -8.604 3.174 -6.676 {"}'M' greentint -9.294 2.258 -6.462 {"}'M' greentint -9.224 2.505 -6.451 {"}'M' greentint -8.764 3.113 -6.425 {"}'M' greentint -8.545 3.248 -6.419 {"}'M' greentint -9.296 2.238 -6.204 {"}'M' greentint -9.227 2.486 -6.193 {"}'M' greentint -9.114 2.717 -6.183 {"}'M' greentint -8.96 2.923 -6.174 {"}'M' greentint -8.771 3.097 -6.167 {"}'M' greentint -8.553 3.233 -6.161 {"}'M' greentint -9.216 2.358 -5.945 {"}'M' greentint -9.121 2.596 -5.934 {"}'M' greentint -8.982 2.811 -5.925 {"}'M' greentint -8.806 2.996 -5.917 {"}'M' greentint -8.597 3.144 -5.91 {"}'M' greentint -9.024 2.569 -5.694 {"}'M' greentint -8.88 2.778 -5.685 @subgroup {2->1} dominant @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { H GLY 234 B}'M' P -8.453 2.582 -6.469 {"}'M' -8.453 2.582 -6.469 {"}'M' P -8.599 2.378 -6.478 {"}'M' -8.603 2.382 -6.477 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 234 B}'M' greentint -8.674 2.832 -7.166 {"}'M' greentint -8.81 2.611 -7.175 {"}'M' greentint -8.503 2.831 -6.958 {"}'M' greentint -8.613 2.597 -6.969 {"}'M' greentint -8.787 2.407 -6.977 {"}'M' greentint -9.009 2.275 -6.983 {"}'M' greentint -8.467 3.086 -6.947 {"}'M' greentint -8.4 2.818 -6.717 {"}'M' greentint -8.496 2.585 -6.728 {"}'M' greentint -8.65 2.385 -6.736 {"}'M' greentint -8.85 2.232 -6.743 {"}'M' greentint -9.083 2.135 -6.747 {"}'M' greentint -8.367 3.067 -6.707 {"}'M' greentint -8.362 2.815 -6.459 {"}'M' greentint -8.79 2.217 -6.485 {"}'M' greentint -9.016 2.108 -6.489 {"}'M' greentint -9.262 2.059 -6.492 {"}'M' greentint -8.366 3.312 -6.437 {"}'M' greentint -8.333 3.064 -6.448 {"}'M' greentint -8.4 2.795 -6.2 {"}'M' greentint -8.496 2.562 -6.21 {"}'M' greentint -8.65 2.362 -6.219 {"}'M' greentint -8.85 2.209 -6.226 {"}'M' greentint -9.083 2.113 -6.23 {"}'M' greentint -8.4 3.294 -6.179 {"}'M' greentint -8.367 3.045 -6.189 {"}'M' greentint -8.503 2.787 -5.959 {"}'M' greentint -8.613 2.554 -5.969 {"}'M' greentint -8.787 2.363 -5.978 {"}'M' greentint -9.009 2.232 -5.984 {"}'M' greentint -9.26 2.172 -5.986 {"}'M' greentint -8.467 3.042 -5.948 {"}'M' greentint -8.674 2.77 -5.753 {"}'M' greentint -8.81 2.549 -5.762 {"}'M' greentint -9.018 2.393 -5.769 {"}'M' greentint -8.626 3.025 -5.742 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 214 B}'M' green -9.818 1.526 -5.146 {"}'M' green -9.674 1.74 -5.137 {"}'M' green -9.967 1.397 -4.911 {"}'M' green -9.517 1.983 -4.885 {"}'M' green -10.027 1.253 -4.658 {"}'M' green -9.467 2.037 -4.624 {"}'M' sea -10 1.125 -4.404 {"}'M' sea -9.284 2.057 -4.364 {"}'M' sea -9.892 1.235 -4.158 {"}'M' green -9.818 1.482 -4.147 {"}'M' green -9.674 1.697 -4.138 {"}'M' green -9.474 1.859 -4.131 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 214 B}'M' greentint -9.871 1.63 -4.901 {"}'M' greentint -9.717 1.83 -4.892 {"}'M' greentint -9.967 1.496 -4.647 {"}'M' greentint -9.848 1.717 -4.638 {"}'M' greentint -9.678 1.901 -4.63 {"}'M' greentint -9.967 1.374 -4.394 {"}'M' greentint -9.871 1.607 -4.383 {"}'M' greentint -9.717 1.807 -4.375 {"}'M' greentint -9.517 1.96 -4.368 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 234 B}'M' sea -9.658 2.014 -5.087 {"}'M' green -9.781 1.793 -5.097 {"}'M' green -9.947 1.601 -5.105 {"}'M' sea -9.486 2.251 -4.836 {"}'M' green -9.557 2.005 -4.846 {"}'M' green -10.022 1.407 -4.872 {"}'M' sea -9.44 2.231 -4.582 {"}'M' sea -10.189 1.24 -4.625 {"}'M' sea -9.438 2.228 -4.324 {"}'M' green -9.507 1.98 -4.335 {"}'M' green -9.963 1.369 -4.361 {"}'M' sea -10.181 1.232 -4.367 {"}'M' green -9.56 1.964 -4.081 {"}'M' green -9.677 1.737 -4.091 {"}'M' green -9.835 1.536 -4.1 {"}'M' sea -10.029 1.368 -4.107 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 234 B}'M' greentint -9.673 1.777 -4.856 {"}'M' greentint -9.83 1.575 -4.865 {"}'M' greentint -9.51 1.984 -4.593 {"}'M' greentint -9.625 1.753 -4.603 {"}'M' greentint -9.78 1.548 -4.612 {"}'M' greentint -9.97 1.375 -4.62 {"}'M' greentint -9.62 1.749 -4.345 {"}'M' greentint -9.774 1.543 -4.354 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n leu A 565 1kdgA_567F_583}P -11.813 -1.556 1.257 {"}-11.813 -1.556 1.257 { ca leu A 565 1kdgA_567F_583}-11.016 -1.964 0.105 { c leu A 565 1kdgA_567F_583}-10.69 -0.759 -0.744 { o leu A 565 1kdgA_567F_583}-11.519 0.097 -0.944 { c leu A 565 1kdgA_567F_583}P -10.69 -0.759 -0.744 { n asn A 566 1kdgA_567F_583}-9.485 -0.749 -1.294 { ca asn A 566 1kdgA_567F_583}-9.051 0.272 -2.214 { c asn A 566 1kdgA_567F_583}-8.439 -0.346 -3.415 { o asn A 566 1kdgA_567F_583}-7.756 -1.397 -3.269 { c asn A 566 1kdgA_567F_583}P -8.439 -0.346 -3.415 { n phe A 567 1kdgA_567F_583}-8.623 0.284 -4.578 { ca phe A 567 1kdgA_567F_583}-8.042 -0.249 -5.833 { c phe A 567 1kdgA_567F_583}-7.655 0.87 -6.755 { o phe A 567 1kdgA_567F_583}-8.181 1.975 -6.679 { c phe A 567 1kdgA_567F_583}P -7.655 0.87 -6.755 { n trp A 568 1kdgA_567F_583}-6.742 0.564 -7.67 { ca trp A 568 1kdgA_567F_583}-6.33 1.546 -8.651 { c trp A 568 1kdgA_567F_583}-6.179 0.934 -10.013 { o trp A 568 1kdgA_567F_583}-5.891 -0.288 -10.128 { c trp A 568 1kdgA_567F_583}P -6.179 0.934 -10.013 { n arg A 569 1kdgA_567F_583}-6.261 1.774 -11.037 { ca arg A 569 1kdgA_567F_583}-6.069 1.348 -12.409 { c arg A 569 1kdgA_567F_583}-5.613 2.501 -13.27 { o arg A 569 1kdgA_567F_583}-6.112 3.599 -13.176 { n ala A 581 1kdgA_567F_583}P -7.279 5.825 -11.924 {"}-7.279 5.825 -11.924 { ca ala A 581 1kdgA_567F_583}-8.558 5.833 -11.247 { c ala A 581 1kdgA_567F_583}-8.323 5.122 -9.929 { o ala A 581 1kdgA_567F_583}-7.457 4.212 -9.83 { c ala A 581 1kdgA_567F_583}P -8.323 5.122 -9.929 { n gln A 582 1kdgA_567F_583}-9.008 5.596 -8.886 { ca gln A 582 1kdgA_567F_583}-9.01 4.95 -7.583 { c gln A 582 1kdgA_567F_583}-10.421 4.623 -7.177 { o gln A 582 1kdgA_567F_583}-11.306 5.402 -7.367 { c gln A 582 1kdgA_567F_583}P -10.421 4.623 -7.177 { n gly A 583 1kdgA_567F_583}-10.597 3.447 -6.611 { ca gly A 583 1kdgA_567F_583}-11.832 3.077 -5.994 { c gly A 583 1kdgA_567F_583}-11.641 2.946 -4.487 { o gly A 583 1kdgA_567F_583}-10.572 2.491 -3.966 { c gly A 583 1kdgA_567F_583}P -11.641 2.946 -4.487 { n thr A 584 1kdgA_567F_583}-12.692 3.332 -3.76 { ca thr A 584 1kdgA_567F_583}-12.737 3.121 -2.331 { c thr A 584 1kdgA_567F_583}-14.105 2.452 -2.056 { o thr A 584 1kdgA_567F_583}-15.152 2.994 -2.426 { c thr A 584 1kdgA_567F_583}P -14.105 2.452 -2.056 { n val A 585 1kdgA_567F_583}-14.098 1.33 -1.354 { ca val A 585 1kdgA_567F_583}-15.323 0.624 -1.055 { c val A 585 1kdgA_567F_583}-15.624 0.684 0.447 { o val A 585 1kdgA_567F_583}-14.726 0.516 1.266 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n leu A 565 1kdgA_567F_583}P -11.813 -1.556 1.257 { ca leu A 565 1kdgA_567F_583}P -11.016 -1.964 0.105 { n asn A 566 1kdgA_567F_583}P -9.485 -0.749 -1.294 { ca asn A 566 1kdgA_567F_583}P -9.051 0.272 -2.214 { n phe A 567 1kdgA_567F_583}P -8.623 0.284 -4.578 { ca phe A 567 1kdgA_567F_583}P -8.042 -0.249 -5.833 { n trp A 568 1kdgA_567F_583}P -6.742 0.564 -7.67 { ca trp A 568 1kdgA_567F_583}P -6.33 1.546 -8.651 { n arg A 569 1kdgA_567F_583}P -6.261 1.774 -11.037 { ca arg A 569 1kdgA_567F_583}P -6.069 1.348 -12.409 { n ala A 581 1kdgA_567F_583}P -7.279 5.825 -11.924 { ca ala A 581 1kdgA_567F_583}P -8.558 5.833 -11.247 { n gln A 582 1kdgA_567F_583}P -9.008 5.596 -8.886 { ca gln A 582 1kdgA_567F_583}P -9.01 4.95 -7.583 { n gly A 583 1kdgA_567F_583}P -10.597 3.447 -6.611 { ca gly A 583 1kdgA_567F_583}P -11.832 3.077 -5.994 {"}P -11.832 3.077 -5.994 { n thr A 584 1kdgA_567F_583}P -12.692 3.332 -3.76 { ca thr A 584 1kdgA_567F_583}P -12.737 3.121 -2.331 { n val A 585 1kdgA_567F_583}P -14.098 1.33 -1.354 { ca val A 585 1kdgA_567F_583}P -15.323 0.624 -1.055 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca leu A 565 1kdgA_567F_583}P -11.016 -1.964 0.105 {"}-11.016 -1.964 0.105 { ca asn A 566 1kdgA_567F_583}-9.051 0.272 -2.214 { ca phe A 567 1kdgA_567F_583}-8.042 -0.249 -5.833 { ca trp A 568 1kdgA_567F_583}-6.33 1.546 -8.651 { ca arg A 569 1kdgA_567F_583}-6.069 1.348 -12.409 { ca ala A 581 1kdgA_567F_583}P -8.558 5.833 -11.247 {"}-8.558 5.833 -11.247 { ca gln A 582 1kdgA_567F_583}-9.01 4.95 -7.583 { ca gly A 583 1kdgA_567F_583}-11.832 3.077 -5.994 { ca thr A 584 1kdgA_567F_583}-12.737 3.121 -2.331 { ca val A 585 1kdgA_567F_583}-15.323 0.624 -1.055 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca leu A 565 1kdgA_567F_583}P -11.016 -1.964 0.105 { ca asn A 566 1kdgA_567F_583}P -9.051 0.272 -2.214 { ca phe A 567 1kdgA_567F_583}P -8.042 -0.249 -5.833 { cb phe A 567 1kdgA_567F_583}-8.975 -1.239 -6.496 { cg phe A 567 1kdgA_567F_583}-10.255 -0.684 -7.026 { cd1 phe A 567 1kdgA_567F_583}-10.409 -0.213 -8.315 { ce1 phe A 567 1kdgA_567F_583}-11.649 0.216 -8.789 { cz phe A 567 1kdgA_567F_583}-12.784 0.17 -7.962 { cg phe A 567 1kdgA_567F_583}P -10.255 -0.684 -7.026 { cd2 phe A 567 1kdgA_567F_583}-11.405 -0.73 -6.215 { ce2 phe A 567 1kdgA_567F_583}-12.664 -0.334 -6.7 { cz phe A 567 1kdgA_567F_583}ghost -12.784 0.17 -7.962 { ca trp A 568 1kdgA_567F_583}P -6.33 1.546 -8.651 { ca arg A 569 1kdgA_567F_583}P -6.069 1.348 -12.409 { ca ala A 581 1kdgA_567F_583}P -8.558 5.833 -11.247 { ca gln A 582 1kdgA_567F_583}P -9.01 4.95 -7.583 { ca thr A 584 1kdgA_567F_583}P -12.737 3.121 -2.331 { ca val A 585 1kdgA_567F_583}P -15.323 0.624 -1.055 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 567 1kdgA_567F_583}P -8.975 -1.239 -6.496 {"}P -8.975 -1.239 -6.496 { cd1 phe A 567 1kdgA_567F_583}P -10.409 -0.213 -8.315 { cd2 phe A 567 1kdgA_567F_583}P -11.405 -0.73 -6.215 { ce1 phe A 567 1kdgA_567F_583}P -11.649 0.216 -8.789 { ce2 phe A 567 1kdgA_567F_583}P -12.664 -0.334 -6.7 { cz phe A 567 1kdgA_567F_583}P -12.784 0.17 -7.962 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 567 1kdgA_567F_583}P -8.042 -0.249 -5.833 { cb phe A 567 1kdgA_567F_583}-8.975 -1.239 -6.496 { cg phe A 567 1kdgA_567F_583}-10.255 -0.684 -7.026 { cd1 phe A 567 1kdgA_567F_583}-10.409 -0.213 -8.315 { ce1 phe A 567 1kdgA_567F_583}-11.649 0.216 -8.789 { cz phe A 567 1kdgA_567F_583}-12.784 0.17 -7.962 { cg phe A 567 1kdgA_567F_583}P -10.255 -0.684 -7.026 { cd2 phe A 567 1kdgA_567F_583}-11.405 -0.73 -6.215 { ce2 phe A 567 1kdgA_567F_583}-12.664 -0.334 -6.7 { cz phe A 567 1kdgA_567F_583}ghost -12.784 0.17 -7.962 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 567 1kdgA_567F_583}P -8.975 -1.239 -6.496 {"}P -8.975 -1.239 -6.496 { cd1 phe A 567 1kdgA_567F_583}P -10.409 -0.213 -8.315 { cd2 phe A 567 1kdgA_567F_583}P -11.405 -0.73 -6.215 { ce1 phe A 567 1kdgA_567F_583}P -11.649 0.216 -8.789 { ce2 phe A 567 1kdgA_567F_583}P -12.664 -0.334 -6.7 { cz phe A 567 1kdgA_567F_583}P -12.784 0.17 -7.962 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CD2 PHE 567 A}'P' sky -11.405 0.925 -6.783 {"}'P' sky -11.275 1.014 -6.27 {"}'P' sky -11.283 1.003 -6.008 {"}'P' sky -11.601 0.946 -5.752 { CE1 PHE 567 A}'P' blue -11.842 1.68 -7.849 {"}'P' sky -11.592 1.534 -7.639 {"}'P' sky -11.585 1.347 -7.456 {"}'P' blue -11.331 1.306 -7.457 {"}'P' blue -11.402 1.106 -7.303 @dotlist {x} color= white width= 1 master= {vdw contact} { CD2 PHE 567 A}'P' sea -11.348 0.991 -6.53 {"}'P' green -11.535 1.014 -6.27 {"}'P' sea -11.544 1.002 -6.008 { CZ PHE 567 A}'P' green -12.719 1.856 -7.499 {"}'P' green -11.969 1.65 -7.508 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 PHE 567 A}'P' P -12.276 1.371 -6.756 {"}'P' -12.313 1.207 -6.751 {"}'P' P -12.026 1.295 -6.76 {"}'P' -12.073 1.175 -6.755 {"}'P' P -11.791 1.182 -6.765 {"}'P' -11.813 1.143 -6.763 {"}'P' P -13.06 1.358 -6.495 {"}'P' -13.06 1.355 -6.496 {"}'P' P -12.803 1.398 -6.493 {"}'P' -12.794 1.291 -6.506 {"}'P' P -12.542 1.399 -6.493 {"}'P' -12.554 1.221 -6.515 {"}'P' P -12.284 1.362 -6.495 {"}'P' -12.327 1.169 -6.518 {"}'P' P -12.034 1.286 -6.498 {"}'P' -12.091 1.141 -6.516 {"}'P' P -11.799 1.174 -6.503 {"}'P' -11.833 1.114 -6.511 {"}'P' P -12.86 1.342 -6.237 {"}'P' -12.853 1.282 -6.254 {"}'P' P -12.599 1.352 -6.237 {"}'P' -12.604 1.218 -6.273 {"}'P' P -12.339 1.322 -6.238 {"}'P' -12.37 1.163 -6.282 {"}'P' P -12.087 1.253 -6.241 {"}'P' -12.133 1.128 -6.277 {"}'P' P -11.849 1.146 -6.246 {"}'P' -11.877 1.095 -6.261 {"}'P' P -12.672 1.266 -5.99 {"}'P' -12.672 1.221 -6.01 {"}'P' P -12.417 1.247 -5.991 {"}'P' -12.429 1.17 -6.025 {"}'P' P -12.168 1.188 -5.994 {"}'P' -12.189 1.126 -6.023 {"}'P' P -11.932 1.092 -5.998 {"}'P' -11.938 1.08 -6.003 { CZ PHE 567 A}'P' P -12.459 1.826 -7.5 {"}'P' -12.46 1.821 -7.501 {"}'P' P -12.207 1.757 -7.503 {"}'P' -12.211 1.748 -7.506 {"}'P' P -12.792 1.77 -7.252 {"}'P' -12.792 1.734 -7.268 {"}'P' P -12.537 1.751 -7.253 {"}'P' -12.55 1.666 -7.291 {"}'P' P -12.288 1.692 -7.256 {"}'P' -12.319 1.598 -7.3 {"}'P' P -12.052 1.596 -7.26 {"}'P' -12.086 1.53 -7.292 {"}'P' P -11.833 1.464 -7.266 {"}'P' -11.842 1.451 -7.272 {"}'P' P -12.977 1.634 -7.022 {"}'P' -12.973 1.609 -7.038 {"}'P' P -12.72 1.645 -7.022 {"}'P' -12.724 1.547 -7.084 {"}'P' P -12.465 1.612 -7.023 {"}'P' -12.495 1.477 -7.111 {"}'P' P -12.219 1.537 -7.026 {"}'P' -12.271 1.412 -7.112 {"}'P' P -11.989 1.421 -7.032 {"}'P' -12.038 1.345 -7.088 {"}'P' P -11.783 1.268 -7.038 {"}'P' -11.793 1.257 -7.047 {"}'P' P -12.987 1.474 -6.813 {"}'P' -12.983 1.45 -6.835 {"}'P' P -12.727 1.488 -6.812 {"}'P' -12.731 1.395 -6.893 {"}'P' P -12.469 1.453 -6.814 {"}'P' -12.5 1.328 -6.925 {"}'P' P -12.223 1.369 -6.817 {"}'P' -12.273 1.262 -6.92 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 583 A}'P' blue -11.745 1.924 -7.477 {"}'P' sky -11.801 1.264 -5.72 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 583 A}'P' green -11.824 1.533 -7.354 {"}'P' sea -11.432 1.233 -6.452 {"}'P' sea -11.471 1.227 -6.192 {"}'P' sea -11.59 1.235 -5.944 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 583 A}'P' P -12.181 1.663 -7.488 {"}'P' -12.181 1.677 -7.455 {"}'P' P -12.435 1.727 -7.485 {"}'P' -12.426 1.741 -7.446 {"}'P' P -12.062 1.446 -7.358 {"}'P' -12.071 1.494 -7.292 {"}'P' P -12.316 1.446 -7.358 {"}'P' -12.301 1.522 -7.252 {"}'P' P -12.554 1.533 -7.354 {"}'P' -12.516 1.593 -7.258 {"}'P' P -12.748 1.695 -7.347 {"}'P' -12.723 1.715 -7.305 {"}'P' P -11.801 1.328 -7.178 {"}'P' -11.808 1.342 -7.165 {"}'P' P -12.051 1.252 -7.181 {"}'P' -12.064 1.337 -7.107 {"}'P' P -12.311 1.25 -7.181 {"}'P' -12.293 1.376 -7.071 {"}'P' P -12.561 1.321 -7.178 {"}'P' -12.507 1.438 -7.067 {"}'P' P -12.782 1.46 -7.172 {"}'P' -12.722 1.527 -7.095 {"}'P' P -12.954 1.655 -7.164 {"}'P' -12.936 1.666 -7.146 {"}'P' P -11.815 1.161 -6.963 {"}'P' -11.822 1.178 -6.953 {"}'P' P -12.062 1.101 -6.966 {"}'P' -12.073 1.191 -6.917 {"}'P' P -12.316 1.101 -6.966 {"}'P' -12.299 1.236 -6.893 {"}'P' P -12.563 1.161 -6.963 {"}'P' -12.511 1.295 -6.887 {"}'P' P -12.788 1.279 -6.958 {"}'P' -12.723 1.371 -6.899 {"}'P' P -12.978 1.448 -6.951 {"}'P' -12.941 1.479 -6.926 {"}'P' P -11.687 1.112 -6.718 {"}'P' -11.688 1.114 -6.717 {"}'P' P -11.927 1.026 -6.722 {"}'P' -11.95 1.121 -6.695 {"}'P' P -12.181 0.996 -6.723 {"}'P' -12.182 1.157 -6.679 {"}'P' P -12.435 1.023 -6.722 {"}'P' -12.396 1.199 -6.672 {"}'P' P -12.677 1.105 -6.718 {"}'P' -12.612 1.24 -6.678 {"}'P' P -12.894 1.239 -6.712 {"}'P' -12.846 1.3 -6.692 {"}'P' P -11.876 0.998 -6.462 {"}'P' -11.901 1.086 -6.458 {"}'P' P -12.126 0.957 -6.464 {"}'P' -12.135 1.122 -6.457 {"}'P' P -12.378 0.971 -6.463 {"}'P' -12.346 1.165 -6.455 {"}'P' P -12.622 1.038 -6.46 {"}'P' -12.556 1.204 -6.453 {"}'P' P -12.846 1.157 -6.455 {"}'P' -12.781 1.251 -6.451 {"}'P' P -13.038 1.32 -6.448 {"}'P' -13.026 1.332 -6.448 {"}'P' P -11.927 1.003 -6.201 {"}'P' -11.943 1.072 -6.214 {"}'P' P -12.181 0.973 -6.203 {"}'P' -12.182 1.106 -6.227 {"}'P' P -12.435 1 -6.201 {"}'P' -12.403 1.148 -6.229 {"}'P' P -12.677 1.082 -6.198 {"}'P' -12.625 1.192 -6.221 {"}'P' P -12.894 1.217 -6.192 {"}'P' -12.863 1.256 -6.202 {"}'P' P -12.062 1.056 -5.951 {"}'P' -12.065 1.084 -5.963 {"}'P' P -12.316 1.056 -5.951 {"}'P' -12.309 1.117 -5.978 {"}'P' P -12.563 1.117 -5.949 {"}'P' -12.545 1.166 -5.971 {"}'P' P -12.788 1.235 -5.944 {"}'P' -12.787 1.237 -5.944 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 567 A}'M' greentint -9.377 2.377 -7.286 {"}'M' greentint -9.277 2.61 -7.276 {"}'M' greentint -9.522 2.111 -7.057 {"}'M' greentint -9.475 2.363 -7.046 {"}'M' greentint -9.382 2.601 -7.035 {"}'M' greentint -9.244 2.817 -7.026 {"}'M' greentint -9.069 3.003 -7.018 {"}'M' greentint -9.575 1.981 -6.808 {"}'M' greentint -9.551 2.237 -6.797 {"}'M' greentint -9.481 2.484 -6.786 {"}'M' greentint -9.366 2.714 -6.776 {"}'M' greentint -9.211 2.919 -6.767 {"}'M' greentint -9.021 3.092 -6.76 {"}'M' greentint -9.575 1.961 -6.55 {"}'M' greentint -9.553 2.217 -6.539 {"}'M' greentint -9.484 2.465 -6.528 {"}'M' greentint -9.371 2.696 -6.518 {"}'M' greentint -9.217 2.902 -6.509 {"}'M' greentint -9.028 3.076 -6.502 {"}'M' greentint -9.521 2.086 -6.291 {"}'M' greentint -9.473 2.337 -6.28 {"}'M' greentint -9.378 2.575 -6.269 {"}'M' greentint -9.239 2.79 -6.26 {"}'M' greentint -9.063 2.975 -6.252 {"}'M' greentint -9.429 2.066 -6.05 {"}'M' greentint -9.379 2.315 -6.04 {"}'M' greentint -9.281 2.548 -6.029 {"}'M' greentint -9.137 2.757 -6.02 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 583 A}'M' greentint -9.232 2.516 -7.289 {"}'M' greentint -9.368 2.295 -7.298 {"}'M' greentint -9.061 2.515 -7.081 {"}'M' greentint -9.171 2.281 -7.092 {"}'M' greentint -9.345 2.091 -7.1 {"}'M' greentint -9.025 2.77 -7.07 {"}'M' greentint -8.958 2.502 -6.84 {"}'M' greentint -9.054 2.269 -6.851 {"}'M' greentint -9.208 2.069 -6.859 {"}'M' greentint -9.408 1.916 -6.866 {"}'M' greentint -8.958 3.001 -6.819 {"}'M' greentint -8.925 2.751 -6.83 {"}'M' greentint -8.92 2.499 -6.582 {"}'M' greentint -9.011 2.266 -6.592 {"}'M' greentint -9.157 2.062 -6.601 {"}'M' greentint -9.348 1.901 -6.608 {"}'M' greentint -8.924 2.996 -6.56 {"}'M' greentint -8.891 2.748 -6.571 {"}'M' greentint -8.958 2.479 -6.323 {"}'M' greentint -9.054 2.246 -6.333 {"}'M' greentint -9.208 2.046 -6.342 {"}'M' greentint -9.408 1.893 -6.349 {"}'M' greentint -8.958 2.978 -6.302 {"}'M' greentint -8.925 2.729 -6.312 {"}'M' greentint -9.061 2.471 -6.082 {"}'M' greentint -9.171 2.238 -6.092 {"}'M' greentint -9.345 2.047 -6.101 {"}'M' greentint -9.025 2.726 -6.071 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 567 A}'M' green -9.982 1.624 -4.923 {"}'M' green -9.628 1.977 -4.907 {"}'M' green -9.34 2.11 -4.642 {"}'M' green -10.003 1.229 -4.18 {"}'M' green -9.84 1.229 -3.973 {"}'M' green -9.339 1.779 -3.949 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 567 A}'M' greentint -9.828 1.824 -4.914 {"}'M' greentint -10.078 1.49 -4.669 {"}'M' greentint -9.959 1.711 -4.66 {"}'M' greentint -9.789 1.895 -4.652 {"}'M' greentint -9.578 2.031 -4.646 {"}'M' greentint -10.078 1.368 -4.416 {"}'M' greentint -9.982 1.601 -4.405 {"}'M' greentint -9.828 1.801 -4.397 {"}'M' greentint -9.628 1.954 -4.39 {"}'M' greentint -9.395 2.051 -4.386 {"}'M' greentint -9.929 1.476 -4.169 {"}'M' greentint -9.785 1.691 -4.16 {"}'M' greentint -9.585 1.853 -4.153 {"}'M' greentint -9.346 1.95 -4.149 {"}'M' greentint -9.746 1.471 -3.962 {"}'M' greentint -9.571 1.663 -3.954 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 583 A}'M' green -9.57 2.034 -4.83 {"}'M' green -10.122 1.506 -4.853 {"}'M' green -10.137 1.344 -4.641 {"}'M' green -9.272 1.994 -4.117 {"}'M' green -9.382 1.759 -3.869 {"}'M' green -9.725 1.379 -3.885 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 583 A}'M' greentint -9.711 1.817 -4.84 {"}'M' greentint -9.898 1.637 -4.848 {"}'M' greentint -9.42 2.024 -4.611 {"}'M' greentint -9.543 1.803 -4.621 {"}'M' greentint -9.709 1.611 -4.629 {"}'M' greentint -9.909 1.456 -4.636 {"}'M' greentint -9.319 2.015 -4.37 {"}'M' greentint -9.435 1.787 -4.38 {"}'M' greentint -9.592 1.585 -4.389 {"}'M' greentint -9.784 1.417 -4.396 {"}'M' greentint -10.005 1.287 -4.402 {"}'M' greentint -9.387 1.763 -4.127 {"}'M' greentint -9.542 1.558 -4.136 {"}'M' greentint -9.732 1.385 -4.144 {"}'M' greentint -9.951 1.25 -4.149 {"}'M' greentint -9.536 1.553 -3.878 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ile A 142 1khbA_144F_157}P -12.043 -2.115 0.155 {"}-12.043 -2.115 0.155 { ca ile A 142 1khbA_144F_157}-10.948 -2.402 -0.769 { c ile A 142 1khbA_144F_157}-10.531 -1.118 -1.51 { o ile A 142 1khbA_144F_157}-11.261 -0.661 -2.397 { c ile A 142 1khbA_144F_157}P -10.531 -1.118 -1.51 { n pro A 143 1khbA_144F_157}-9.391 -0.506 -1.159 { ca pro A 143 1khbA_144F_157}-8.909 0.646 -1.917 { c pro A 143 1khbA_144F_157}-8.144 0.067 -3.117 { o pro A 143 1khbA_144F_157}-7.218 -0.738 -2.941 { c pro A 143 1khbA_144F_157}P -8.144 0.067 -3.117 { n phe A 144 1khbA_144F_157}-8.497 0.482 -4.324 { ca phe A 144 1khbA_144F_157}-7.791 -0.086 -5.451 { c phe A 144 1khbA_144F_157}-7.445 0.954 -6.524 { o phe A 144 1khbA_144F_157}-8.198 1.896 -6.776 { c phe A 144 1khbA_144F_157}P -7.445 0.954 -6.524 { n ser A 145 1khbA_144F_157}-6.383 0.664 -7.249 { ca ser A 145 1khbA_144F_157}-5.955 1.524 -8.357 { c ser A 145 1khbA_144F_157}-6.1 0.781 -9.688 { o ser A 145 1khbA_144F_157}-5.591 -0.375 -9.813 { c ser A 145 1khbA_144F_157}P -6.1 0.781 -9.688 { n met A 146 1khbA_144F_157}-6.755 1.428 -10.66 { ca met A 146 1khbA_144F_157}-6.855 0.935 -12.046 { c met A 146 1khbA_144F_157}-5.749 1.667 -12.81 { o met A 146 1khbA_144F_157}-5.801 2.891 -12.947 { n lys A 155 1khbA_144F_157}P -6.85 5.633 -12.217 {"}-6.85 5.633 -12.217 { ca lys A 155 1khbA_144F_157}-8.018 6.104 -11.51 { c lys A 155 1khbA_144F_157}-8.162 5.186 -10.303 { o lys A 155 1khbA_144F_157}-7.825 3.995 -10.417 { c lys A 155 1khbA_144F_157}P -8.162 5.186 -10.303 { n ile A 156 1khbA_144F_157}-8.61 5.747 -9.198 { ca ile A 156 1khbA_144F_157}-8.785 4.969 -7.967 { c ile A 156 1khbA_144F_157}-10.254 4.759 -7.593 { o ile A 156 1khbA_144F_157}-11.127 5.616 -7.849 { c ile A 156 1khbA_144F_157}P -10.254 4.759 -7.593 { n gly A 157 1khbA_144F_157}-10.542 3.655 -6.92 { ca gly A 157 1khbA_144F_157}-11.883 3.412 -6.456 { c gly A 157 1khbA_144F_157}-11.788 2.827 -5.07 { o gly A 157 1khbA_144F_157}-10.709 2.439 -4.583 { c gly A 157 1khbA_144F_157}P -11.788 2.827 -5.07 { n ile A 158 1khbA_144F_157}-12.92 2.807 -4.398 { ca ile A 158 1khbA_144F_157}-13.007 2.145 -3.105 { c ile A 158 1khbA_144F_157}-14.137 1.168 -3.268 { o ile A 158 1khbA_144F_157}-15.218 1.61 -3.624 { c ile A 158 1khbA_144F_157}P -14.137 1.168 -3.268 { n glu A 159 1khbA_144F_157}-13.933 -0.15 -3.069 { ca glu A 159 1khbA_144F_157}-15.097 -1.034 -3.237 { c glu A 159 1khbA_144F_157}-15.472 -1.552 -1.874 { o glu A 159 1khbA_144F_157}-14.63 -2.12 -1.217 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ile A 142 1khbA_144F_157}P -12.043 -2.115 0.155 { ca ile A 142 1khbA_144F_157}P -10.948 -2.402 -0.769 { ca pro A 143 1khbA_144F_157}P -8.909 0.646 -1.917 { n phe A 144 1khbA_144F_157}P -8.497 0.482 -4.324 { ca phe A 144 1khbA_144F_157}P -7.791 -0.086 -5.451 { n ser A 145 1khbA_144F_157}P -6.383 0.664 -7.249 { ca ser A 145 1khbA_144F_157}P -5.955 1.524 -8.357 { n met A 146 1khbA_144F_157}P -6.755 1.428 -10.66 { ca met A 146 1khbA_144F_157}P -6.855 0.935 -12.046 { n lys A 155 1khbA_144F_157}P -6.85 5.633 -12.217 { ca lys A 155 1khbA_144F_157}P -8.018 6.104 -11.51 { n ile A 156 1khbA_144F_157}P -8.61 5.747 -9.198 { ca ile A 156 1khbA_144F_157}P -8.785 4.969 -7.967 { n gly A 157 1khbA_144F_157}P -10.542 3.655 -6.92 { ca gly A 157 1khbA_144F_157}P -11.883 3.412 -6.456 {"}P -11.883 3.412 -6.456 { n ile A 158 1khbA_144F_157}P -12.92 2.807 -4.398 { ca ile A 158 1khbA_144F_157}P -13.007 2.145 -3.105 { n glu A 159 1khbA_144F_157}P -13.933 -0.15 -3.069 { ca glu A 159 1khbA_144F_157}P -15.097 -1.034 -3.237 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ile A 142 1khbA_144F_157}P -10.948 -2.402 -0.769 {"}-10.948 -2.402 -0.769 { ca pro A 143 1khbA_144F_157}-8.909 0.646 -1.917 { ca phe A 144 1khbA_144F_157}-7.791 -0.086 -5.451 { ca ser A 145 1khbA_144F_157}-5.955 1.524 -8.357 { ca met A 146 1khbA_144F_157}-6.855 0.935 -12.046 { ca lys A 155 1khbA_144F_157}P -8.018 6.104 -11.51 {"}-8.018 6.104 -11.51 { ca ile A 156 1khbA_144F_157}-8.785 4.969 -7.967 { ca gly A 157 1khbA_144F_157}-11.883 3.412 -6.456 { ca ile A 158 1khbA_144F_157}-13.007 2.145 -3.105 { ca glu A 159 1khbA_144F_157}-15.097 -1.034 -3.237 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ile A 142 1khbA_144F_157}P -10.948 -2.402 -0.769 { ca pro A 143 1khbA_144F_157}P -8.909 0.646 -1.917 { n pro A 143 1khbA_144F_157}P -9.391 -0.506 -1.159 { ca phe A 144 1khbA_144F_157}P -7.791 -0.086 -5.451 { cb phe A 144 1khbA_144F_157}-8.614 -1.268 -6.094 { cg phe A 144 1khbA_144F_157}-9.976 -0.845 -6.697 { cd1 phe A 144 1khbA_144F_157}-10.098 -0.568 -8.071 { ce1 phe A 144 1khbA_144F_157}-11.312 -0.12 -8.627 { cz phe A 144 1khbA_144F_157}-12.458 -0.006 -7.831 { cg phe A 144 1khbA_144F_157}P -9.976 -0.845 -6.697 { cd2 phe A 144 1khbA_144F_157}-11.113 -0.729 -5.913 { ce2 phe A 144 1khbA_144F_157}-12.34 -0.283 -6.438 { cz phe A 144 1khbA_144F_157}ghost -12.458 -0.006 -7.831 { ca ser A 145 1khbA_144F_157}P -5.955 1.524 -8.357 { ca met A 146 1khbA_144F_157}P -6.855 0.935 -12.046 { ca lys A 155 1khbA_144F_157}P -8.018 6.104 -11.51 { ca ile A 156 1khbA_144F_157}P -8.785 4.969 -7.967 { ca ile A 158 1khbA_144F_157}P -13.007 2.145 -3.105 { ca glu A 159 1khbA_144F_157}P -15.097 -1.034 -3.237 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 144 1khbA_144F_157}P -8.614 -1.268 -6.094 {"}P -8.614 -1.268 -6.094 { cd1 phe A 144 1khbA_144F_157}P -10.098 -0.568 -8.071 { cd2 phe A 144 1khbA_144F_157}P -11.113 -0.729 -5.913 { ce1 phe A 144 1khbA_144F_157}P -11.312 -0.12 -8.627 { ce2 phe A 144 1khbA_144F_157}P -12.34 -0.283 -6.438 { cz phe A 144 1khbA_144F_157}P -12.458 -0.006 -7.831 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 144 1khbA_144F_157}P -7.791 -0.086 -5.451 { cb phe A 144 1khbA_144F_157}-8.614 -1.268 -6.094 { cg phe A 144 1khbA_144F_157}-9.976 -0.845 -6.697 { cd1 phe A 144 1khbA_144F_157}-10.098 -0.568 -8.071 { ce1 phe A 144 1khbA_144F_157}-11.312 -0.12 -8.627 { cz phe A 144 1khbA_144F_157}-12.458 -0.006 -7.831 { cg phe A 144 1khbA_144F_157}P -9.976 -0.845 -6.697 { cd2 phe A 144 1khbA_144F_157}-11.113 -0.729 -5.913 { ce2 phe A 144 1khbA_144F_157}-12.34 -0.283 -6.438 { cz phe A 144 1khbA_144F_157}ghost -12.458 -0.006 -7.831 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 144 1khbA_144F_157}P -8.614 -1.268 -6.094 {"}P -8.614 -1.268 -6.094 { cd1 phe A 144 1khbA_144F_157}P -10.098 -0.568 -8.071 { cd2 phe A 144 1khbA_144F_157}P -11.113 -0.729 -5.913 { ce1 phe A 144 1khbA_144F_157}P -11.312 -0.12 -8.627 { ce2 phe A 144 1khbA_144F_157}P -12.34 -0.283 -6.438 { cz phe A 144 1khbA_144F_157}P -12.458 -0.006 -7.831 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 144 A}'P' sky -12.8 1.375 -6.755 {"}'P' sky -12.728 1.422 -6.494 { CZ PHE 144 A}'P' sky -12.401 1.715 -8.146 {"}'P' sky -13.156 1.532 -7.374 {"}'P' sky -12.902 1.404 -6.894 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 144 A}'P' sea -12.544 1.426 -6.753 {"}'P' sea -12.283 1.438 -6.753 {"}'P' sea -12.023 1.409 -6.754 {"}'P' sea -12.47 1.461 -6.493 { CZ PHE 144 A}'P' sea -12.846 1.699 -7.887 {"}'P' green -12.588 1.738 -7.886 {"}'P' green -12.328 1.738 -7.886 {"}'P' green -12.07 1.699 -7.887 {"}'P' sea -13.103 1.608 -7.63 {"}'P' green -12.854 1.686 -7.626 {"}'P' green -12.078 1.69 -7.626 {"}'P' sea -11.828 1.614 -7.629 {"}'P' green -12.91 1.621 -7.37 {"}'P' green -11.881 1.581 -7.372 {"}'P' sea -12.969 1.511 -7.125 {"}'P' green -12.721 1.572 -7.122 {"}'P' green -11.962 1.516 -7.125 {"}'P' green -12.651 1.458 -6.891 {"}'P' green -12.394 1.469 -6.891 {"}'P' sea -12.139 1.436 -6.892 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 144 A}'P' P -12.597 1.726 -7.624 {"}'P' -12.595 1.704 -7.627 {"}'P' P -12.336 1.727 -7.624 {"}'P' -12.338 1.697 -7.628 {"}'P' P -12.654 1.67 -7.368 {"}'P' -12.65 1.638 -7.377 {"}'P' P -12.393 1.68 -7.368 {"}'P' -12.395 1.63 -7.381 {"}'P' P -12.133 1.65 -7.369 {"}'P' -12.137 1.631 -7.374 {"}'P' P -12.466 1.594 -7.121 {"}'P' -12.466 1.574 -7.13 {"}'P' P -12.211 1.575 -7.122 {"}'P' -12.212 1.571 -7.124 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 157 A}'P' sky -11.904 1.684 -6.917 {"}'P' sky -12.78 1.712 -6.668 {"}'P' sky -12.528 1.781 -6.443 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 157 A}'P' sea -12.018 1.923 -7.897 {"}'P' green -12.268 1.847 -7.9 {"}'P' green -12.528 1.845 -7.9 {"}'P' sea -12.778 1.916 -7.897 {"}'P' sea -11.807 1.874 -7.677 {"}'P' green -12.032 1.756 -7.682 {"}'P' green -12.78 1.756 -7.682 {"}'P' sea -13.005 1.874 -7.677 {"}'P' green -11.904 1.707 -7.437 {"}'P' green -12.894 1.7 -7.437 {"}'P' sea -13.111 1.834 -7.431 {"}'P' sea -11.858 1.686 -7.177 {"}'P' green -12.093 1.593 -7.181 {"}'P' green -12.839 1.633 -7.179 {"}'P' sea -13.063 1.752 -7.174 {"}'P' green -12.144 1.598 -6.92 {"}'P' green -12.398 1.568 -6.922 {"}'P' green -12.652 1.595 -6.92 {"}'P' sea -12.894 1.677 -6.917 {"}'P' sea -12.279 1.651 -6.67 {"}'P' sea -12.533 1.651 -6.67 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 157 A}'P' P -12.279 1.696 -7.685 {"}'P' -12.281 1.71 -7.677 {"}'P' P -12.533 1.696 -7.685 {"}'P' -12.531 1.713 -7.675 {"}'P' P -12.144 1.621 -7.441 {"}'P' -12.15 1.643 -7.434 {"}'P' P -12.398 1.591 -7.442 {"}'P' -12.398 1.642 -7.428 {"}'P' P -12.652 1.618 -7.441 {"}'P' -12.645 1.65 -7.432 {"}'P' P -12.343 1.552 -7.183 {"}'P' -12.344 1.581 -7.182 {"}'P' P -12.595 1.566 -7.182 {"}'P' -12.592 1.587 -7.181 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 144 A}'M' green -9.149 2.739 -7.364 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 144 A}'M' greentint -9.294 2.531 -7.373 {"}'M' greentint -9.492 2.284 -7.143 {"}'M' greentint -9.399 2.522 -7.132 {"}'M' greentint -9.261 2.738 -7.123 {"}'M' greentint -9.086 2.924 -7.115 {"}'M' greentint -9.568 2.158 -6.894 {"}'M' greentint -9.498 2.405 -6.883 {"}'M' greentint -9.383 2.635 -6.873 {"}'M' greentint -9.228 2.84 -6.864 {"}'M' greentint -9.038 3.013 -6.857 {"}'M' greentint -9.57 2.138 -6.636 {"}'M' greentint -9.501 2.386 -6.625 {"}'M' greentint -9.388 2.617 -6.615 {"}'M' greentint -9.234 2.823 -6.606 {"}'M' greentint -9.045 2.997 -6.599 {"}'M' greentint -9.49 2.258 -6.377 {"}'M' greentint -9.395 2.496 -6.366 {"}'M' greentint -9.256 2.711 -6.357 {"}'M' greentint -9.08 2.896 -6.349 {"}'M' greentint -9.298 2.469 -6.126 {"}'M' greentint -9.154 2.678 -6.117 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 157 A}'M' greentint -9.051 2.715 -7.204 {"}'M' greentint -9.161 2.481 -7.215 {"}'M' greentint -9.335 2.291 -7.223 {"}'M' greentint -8.948 2.702 -6.963 {"}'M' greentint -9.044 2.469 -6.974 {"}'M' greentint -9.198 2.269 -6.982 {"}'M' greentint -9.398 2.116 -6.989 {"}'M' greentint -8.915 2.951 -6.953 {"}'M' greentint -8.91 2.699 -6.705 {"}'M' greentint -9.001 2.466 -6.715 {"}'M' greentint -9.147 2.262 -6.724 {"}'M' greentint -9.338 2.101 -6.731 {"}'M' greentint -9.564 1.992 -6.735 {"}'M' greentint -8.881 2.948 -6.694 {"}'M' greentint -8.948 2.679 -6.446 {"}'M' greentint -9.044 2.446 -6.456 {"}'M' greentint -9.198 2.246 -6.465 {"}'M' greentint -9.398 2.093 -6.472 {"}'M' greentint -8.915 2.929 -6.435 {"}'M' greentint -9.051 2.671 -6.205 {"}'M' greentint -9.161 2.438 -6.215 {"}'M' greentint -9.335 2.247 -6.224 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 144 A}'M' greentint -10.066 1.296 -5.028 {"}'M' greentint -9.992 1.543 -5.017 {"}'M' greentint -9.848 1.757 -5.008 {"}'M' greentint -9.648 1.92 -5.001 {"}'M' greentint -10.174 1.164 -4.793 {"}'M' greentint -10.141 1.414 -4.782 {"}'M' greentint -10.045 1.647 -4.772 {"}'M' greentint -9.891 1.847 -4.763 {"}'M' greentint -9.691 2 -4.756 {"}'M' greentint -9.458 2.096 -4.752 {"}'M' greentint -10.201 1.27 -4.529 {"}'M' greentint -10.141 1.513 -4.518 {"}'M' greentint -10.022 1.734 -4.509 {"}'M' greentint -9.852 1.918 -4.501 {"}'M' greentint -9.641 2.054 -4.495 {"}'M' greentint -9.403 2.133 -4.491 {"}'M' greentint -10.141 1.391 -4.265 {"}'M' greentint -10.045 1.624 -4.254 {"}'M' greentint -9.891 1.824 -4.246 {"}'M' greentint -9.691 1.977 -4.239 {"}'M' greentint -9.458 2.074 -4.235 {"}'M' greentint -9.992 1.499 -4.018 {"}'M' greentint -9.848 1.714 -4.009 {"}'M' greentint -9.648 1.876 -4.002 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 157 A}'M' green -9.554 1.925 -3.981 {"}'M' green -10.039 1.354 -4.006 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 157 A}'M' greentint -9.456 1.963 -4.987 {"}'M' greentint -9.572 1.735 -4.997 {"}'M' greentint -9.729 1.533 -5.006 {"}'M' greentint -9.921 1.365 -5.013 {"}'M' greentint -9.409 1.942 -4.734 {"}'M' greentint -9.524 1.711 -4.744 {"}'M' greentint -9.679 1.506 -4.753 {"}'M' greentint -9.869 1.333 -4.761 {"}'M' greentint -10.088 1.198 -4.766 {"}'M' greentint -9.406 1.938 -4.476 {"}'M' greentint -9.519 1.707 -4.486 {"}'M' greentint -9.673 1.501 -4.495 {"}'M' greentint -9.862 1.327 -4.502 {"}'M' greentint -10.08 1.19 -4.508 {"}'M' greentint -9.459 1.922 -4.222 {"}'M' greentint -9.576 1.695 -4.232 {"}'M' greentint -9.734 1.494 -4.241 {"}'M' greentint -9.928 1.326 -4.248 {"}'M' greentint -10.15 1.199 -4.254 {"}'M' greentint -9.676 1.703 -3.99 {"}'M' greentint -9.84 1.51 -3.999 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n thr A 143 1lwdA_145F_179}P -11.772 -1.434 0.998 {"}-11.772 -1.434 0.998 { ca thr A 143 1lwdA_145F_179}-11.143 -2.151 -0.092 { c thr A 143 1lwdA_145F_179}-10.877 -1.076 -1.14 { o thr A 143 1lwdA_145F_179}-11.809 -0.558 -1.747 { c thr A 143 1lwdA_145F_179}P -10.877 -1.076 -1.14 { n asp A 144 1lwdA_145F_179}-9.611 -0.719 -1.334 { ca asp A 144 1lwdA_145F_179}-9.271 0.303 -2.312 { c asp A 144 1lwdA_145F_179}-8.277 -0.249 -3.315 { o asp A 144 1lwdA_145F_179}-7.503 -1.158 -3.006 { c asp A 144 1lwdA_145F_179}P -8.277 -0.249 -3.315 { n phe A 145 1lwdA_145F_179}-8.301 0.305 -4.521 { ca phe A 145 1lwdA_145F_179}-7.429 -0.177 -5.577 { c phe A 145 1lwdA_145F_179}-7.126 0.874 -6.63 { o phe A 145 1lwdA_145F_179}-7.844 1.864 -6.775 { c phe A 145 1lwdA_145F_179}P -7.126 0.874 -6.63 { n val A 146 1lwdA_145F_179}-6.054 0.636 -7.374 { ca val A 146 1lwdA_145F_179}-5.67 1.523 -8.456 { c val A 146 1lwdA_145F_179}-6.169 0.904 -9.761 { o val A 146 1lwdA_145F_179}-6.083 -0.308 -9.957 { c val A 146 1lwdA_145F_179}P -6.169 0.904 -9.761 { n val A 147 1lwdA_145F_179}-6.709 1.745 -10.634 { ca val A 147 1lwdA_145F_179}-7.201 1.321 -11.942 { c val A 147 1lwdA_145F_179}-6.144 1.833 -12.919 { o val A 147 1lwdA_145F_179}-5.789 3.01 -12.883 { n gly A 177 1lwdA_145F_179}P -7.125 5.553 -12.717 {"}-7.125 5.553 -12.717 { ca gly A 177 1lwdA_145F_179}-7.676 6.236 -11.562 { c gly A 177 1lwdA_145F_179}-7.646 5.366 -10.322 { o gly A 177 1lwdA_145F_179}-6.826 4.451 -10.217 { c gly A 177 1lwdA_145F_179}P -7.646 5.366 -10.322 { n val A 178 1lwdA_145F_179}-8.53 5.657 -9.371 { ca val A 178 1lwdA_145F_179}-8.61 4.883 -8.137 { c val A 178 1lwdA_145F_179}-10.059 4.636 -7.765 { o val A 178 1lwdA_145F_179}-10.949 5.413 -8.125 { c val A 178 1lwdA_145F_179}P -10.059 4.636 -7.765 { n gly A 179 1lwdA_145F_179}-10.284 3.548 -7.042 { ca gly A 179 1lwdA_145F_179}-11.626 3.212 -6.616 { c gly A 179 1lwdA_145F_179}-11.564 2.582 -5.245 { o gly A 179 1lwdA_145F_179}-10.515 2.086 -4.835 { c gly A 179 1lwdA_145F_179}P -11.564 2.582 -5.245 { n met A 180 1lwdA_145F_179}-12.676 2.627 -4.518 { ca met A 180 1lwdA_145F_179}-12.718 2.007 -3.204 { c met A 180 1lwdA_145F_179}-14.141 1.766 -2.754 { o met A 180 1lwdA_145F_179}-15.079 2.406 -3.227 { c met A 180 1lwdA_145F_179}P -14.141 1.766 -2.754 { n gly A 181 1lwdA_145F_179}-14.282 0.82 -1.838 { ca gly A 181 1lwdA_145F_179}-15.579 0.505 -1.289 { c gly A 181 1lwdA_145F_179}-15.39 0.401 0.206 { o gly A 181 1lwdA_145F_179}-14.338 -0.051 0.668 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n thr A 143 1lwdA_145F_179}P -11.772 -1.434 0.998 { ca thr A 143 1lwdA_145F_179}P -11.143 -2.151 -0.092 { n asp A 144 1lwdA_145F_179}P -9.611 -0.719 -1.334 { ca asp A 144 1lwdA_145F_179}P -9.271 0.303 -2.312 { n phe A 145 1lwdA_145F_179}P -8.301 0.305 -4.521 { ca phe A 145 1lwdA_145F_179}P -7.429 -0.177 -5.577 { n val A 146 1lwdA_145F_179}P -6.054 0.636 -7.374 { ca val A 146 1lwdA_145F_179}P -5.67 1.523 -8.456 { n val A 147 1lwdA_145F_179}P -6.709 1.745 -10.634 { ca val A 147 1lwdA_145F_179}P -7.201 1.321 -11.942 { n gly A 177 1lwdA_145F_179}P -7.125 5.553 -12.717 { ca gly A 177 1lwdA_145F_179}P -7.676 6.236 -11.562 {"}P -7.676 6.236 -11.562 { n val A 178 1lwdA_145F_179}P -8.53 5.657 -9.371 { ca val A 178 1lwdA_145F_179}P -8.61 4.883 -8.137 { n gly A 179 1lwdA_145F_179}P -10.284 3.548 -7.042 { ca gly A 179 1lwdA_145F_179}P -11.626 3.212 -6.616 {"}P -11.626 3.212 -6.616 { n met A 180 1lwdA_145F_179}P -12.676 2.627 -4.518 { ca met A 180 1lwdA_145F_179}P -12.718 2.007 -3.204 { n gly A 181 1lwdA_145F_179}P -14.282 0.82 -1.838 { ca gly A 181 1lwdA_145F_179}P -15.579 0.505 -1.289 {"}P -15.579 0.505 -1.289 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca thr A 143 1lwdA_145F_179}P -11.143 -2.151 -0.092 {"}-11.143 -2.151 -0.092 { ca asp A 144 1lwdA_145F_179}-9.271 0.303 -2.312 { ca phe A 145 1lwdA_145F_179}-7.429 -0.177 -5.577 { ca val A 146 1lwdA_145F_179}-5.67 1.523 -8.456 { ca val A 147 1lwdA_145F_179}-7.201 1.321 -11.942 { ca gly A 177 1lwdA_145F_179}-7.676 6.236 -11.562 { ca val A 178 1lwdA_145F_179}-8.61 4.883 -8.137 { ca gly A 179 1lwdA_145F_179}-11.626 3.212 -6.616 { ca met A 180 1lwdA_145F_179}-12.718 2.007 -3.204 { ca gly A 181 1lwdA_145F_179}-15.579 0.505 -1.289 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca thr A 143 1lwdA_145F_179}P -11.143 -2.151 -0.092 { ca asp A 144 1lwdA_145F_179}P -9.271 0.303 -2.312 { ca phe A 145 1lwdA_145F_179}P -7.429 -0.177 -5.577 { cb phe A 145 1lwdA_145F_179}-8.089 -1.37 -6.273 { cg phe A 145 1lwdA_145F_179}-9.507 -1.104 -6.711 { cd1 phe A 145 1lwdA_145F_179}-10.561 -1.217 -5.809 { ce1 phe A 145 1lwdA_145F_179}-11.87 -0.926 -6.196 { cz phe A 145 1lwdA_145F_179}-12.134 -0.517 -7.497 { cg phe A 145 1lwdA_145F_179}P -9.507 -1.104 -6.711 { cd2 phe A 145 1lwdA_145F_179}-9.785 -0.695 -8.012 { ce2 phe A 145 1lwdA_145F_179}-11.088 -0.401 -8.409 { cz phe A 145 1lwdA_145F_179}ghost -12.134 -0.517 -7.497 { ca val A 146 1lwdA_145F_179}P -5.67 1.523 -8.456 { ca val A 147 1lwdA_145F_179}P -7.201 1.321 -11.942 { ca val A 178 1lwdA_145F_179}P -8.61 4.883 -8.137 { ca met A 180 1lwdA_145F_179}P -12.718 2.007 -3.204 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 145 1lwdA_145F_179}P -8.089 -1.37 -6.273 {"}P -8.089 -1.37 -6.273 { cd1 phe A 145 1lwdA_145F_179}P -10.561 -1.217 -5.809 { cd2 phe A 145 1lwdA_145F_179}P -9.785 -0.695 -8.012 { ce1 phe A 145 1lwdA_145F_179}P -11.87 -0.926 -6.196 { ce2 phe A 145 1lwdA_145F_179}P -11.088 -0.401 -8.409 { cz phe A 145 1lwdA_145F_179}P -12.134 -0.517 -7.497 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 145 1lwdA_145F_179}P -7.429 -0.177 -5.577 { cb phe A 145 1lwdA_145F_179}-8.089 -1.37 -6.273 { cg phe A 145 1lwdA_145F_179}-9.507 -1.104 -6.711 { cd1 phe A 145 1lwdA_145F_179}-10.561 -1.217 -5.809 { ce1 phe A 145 1lwdA_145F_179}-11.87 -0.926 -6.196 { cz phe A 145 1lwdA_145F_179}-12.134 -0.517 -7.497 { cg phe A 145 1lwdA_145F_179}P -9.507 -1.104 -6.711 { cd2 phe A 145 1lwdA_145F_179}-9.785 -0.695 -8.012 { ce2 phe A 145 1lwdA_145F_179}-11.088 -0.401 -8.409 { cz phe A 145 1lwdA_145F_179}ghost -12.134 -0.517 -7.497 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 145 1lwdA_145F_179}P -8.089 -1.37 -6.273 {"}P -8.089 -1.37 -6.273 { cd1 phe A 145 1lwdA_145F_179}P -10.561 -1.217 -5.809 { cd2 phe A 145 1lwdA_145F_179}P -9.785 -0.695 -8.012 { ce1 phe A 145 1lwdA_145F_179}P -11.87 -0.926 -6.196 { ce2 phe A 145 1lwdA_145F_179}P -11.088 -0.401 -8.409 { cz phe A 145 1lwdA_145F_179}P -12.134 -0.517 -7.497 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 145 A}'P' blue -11.733 1.213 -8.208 {"}'P' blue -11.484 1.291 -8.204 {"}'P' blue -11.786 1.137 -7.952 {"}'P' blue -11.54 1.226 -7.948 {"}'P' blue -11.284 1.275 -7.946 {"}'P' blue -11.351 1.177 -7.7 { CZ PHE 145 A}'P' blue -12.134 1.138 -8.065 {"}'P' blue -12.594 1.141 -7.814 {"}'P' sky -12.338 1.192 -7.812 {"}'P' sky -11.817 1.175 -7.813 {"}'P' blue -11.496 1.112 -7.557 {"}'P' blue -11.504 1.103 -7.295 {"}'P' blue -12.586 1.11 -7.036 {"}'P' sky -11.809 1.139 -7.035 {"}'P' blue -11.557 1.07 -7.038 {"}'P' blue -12.142 1.083 -6.787 {"}'P' blue -11.887 1.064 -6.788 @dotlist {x} color= white width= 1 master= {vdw contact} { CZ PHE 145 A}'P' sea -12.077 1.204 -7.812 {"}'P' sea -12.522 1.188 -7.553 {"}'P' sea -12.264 1.227 -7.552 {"}'P' green -12.004 1.227 -7.552 {"}'P' sea -11.746 1.188 -7.553 {"}'P' sea -12.53 1.175 -7.292 {"}'P' green -12.273 1.215 -7.29 {"}'P' green -12.012 1.216 -7.29 {"}'P' sea -11.754 1.179 -7.292 {"}'P' sea -12.33 1.159 -7.034 {"}'P' sea -12.069 1.169 -7.034 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 179 A}'P' blue -11.489 1.672 -7.877 {"}'P' blue -11.714 1.554 -7.882 {"}'P' sky -11.961 1.494 -7.885 {"}'P' sky -12.215 1.494 -7.885 {"}'P' blue -12.462 1.554 -7.882 {"}'P' blue -11.37 1.642 -7.631 {"}'P' sky -11.586 1.505 -7.637 {"}'P' sky -12.576 1.498 -7.637 {"}'P' sky -11.54 1.484 -7.377 {"}'P' blue -11.586 1.482 -7.117 {"}'P' sky -12.576 1.475 -7.117 {"}'P' sky -11.961 1.449 -6.87 {"}'P' sky -12.215 1.449 -6.87 {"}'P' blue -12.462 1.51 -6.868 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 179 A}'P' sea -11.826 1.419 -7.641 {"}'P' sea -12.08 1.389 -7.642 {"}'P' sea -12.334 1.416 -7.641 {"}'P' sea -11.775 1.391 -7.381 {"}'P' green -12.025 1.35 -7.383 {"}'P' green -12.277 1.364 -7.382 {"}'P' sea -12.521 1.431 -7.379 {"}'P' sea -11.826 1.396 -7.12 {"}'P' sea -12.08 1.366 -7.122 {"}'P' sea -12.334 1.393 -7.12 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 145 A}'M' green -9.04 2.266 -7.382 {"}'M' green -8.795 2.707 -7.363 {"}'M' green -8.944 2.437 -6.125 {"}'M' green -8.8 2.646 -6.116 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 145 A}'M' greentint -8.94 2.499 -7.372 {"}'M' greentint -9.138 2.252 -7.142 {"}'M' greentint -9.045 2.49 -7.131 {"}'M' greentint -8.907 2.706 -7.122 {"}'M' greentint -8.732 2.892 -7.114 {"}'M' greentint -9.214 2.126 -6.893 {"}'M' greentint -9.144 2.373 -6.882 {"}'M' greentint -9.029 2.603 -6.872 {"}'M' greentint -8.874 2.808 -6.863 {"}'M' greentint -8.684 2.981 -6.856 {"}'M' greentint -9.216 2.106 -6.635 {"}'M' greentint -9.147 2.354 -6.624 {"}'M' greentint -9.034 2.585 -6.614 {"}'M' greentint -8.88 2.791 -6.605 {"}'M' greentint -8.691 2.965 -6.598 {"}'M' greentint -9.136 2.226 -6.376 {"}'M' greentint -9.041 2.464 -6.365 {"}'M' greentint -8.902 2.679 -6.356 {"}'M' greentint -8.726 2.864 -6.348 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 179 A}'M' greentint -8.745 2.681 -7.259 {"}'M' greentint -8.855 2.447 -7.27 {"}'M' greentint -9.029 2.257 -7.278 {"}'M' greentint -8.642 2.668 -7.018 {"}'M' greentint -8.738 2.435 -7.029 {"}'M' greentint -8.892 2.235 -7.037 {"}'M' greentint -9.092 2.082 -7.044 {"}'M' greentint -8.609 2.917 -7.008 {"}'M' greentint -8.604 2.665 -6.76 {"}'M' greentint -8.695 2.432 -6.77 {"}'M' greentint -8.841 2.228 -6.779 {"}'M' greentint -9.032 2.067 -6.786 {"}'M' greentint -8.575 2.914 -6.749 {"}'M' greentint -8.642 2.645 -6.501 {"}'M' greentint -8.738 2.412 -6.511 {"}'M' greentint -8.892 2.212 -6.52 {"}'M' greentint -9.092 2.059 -6.527 {"}'M' greentint -8.609 2.895 -6.49 {"}'M' greentint -8.745 2.637 -6.26 {"}'M' greentint -8.855 2.404 -6.27 {"}'M' greentint -9.029 2.213 -6.279 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 145 A}'M' greentint -9.497 1.467 -5.473 {"}'M' greentint -9.754 1.207 -5.277 {"}'M' greentint -9.68 1.454 -5.266 {"}'M' greentint -9.536 1.668 -5.257 {"}'M' greentint -9.336 1.831 -5.25 {"}'M' greentint -9.862 1.075 -5.042 {"}'M' greentint -9.829 1.325 -5.031 {"}'M' greentint -9.733 1.558 -5.021 {"}'M' greentint -9.579 1.758 -5.012 {"}'M' greentint -9.379 1.911 -5.005 {"}'M' greentint -9.146 2.007 -5.001 {"}'M' greentint -9.887 0.931 -4.789 {"}'M' greentint -9.889 1.181 -4.778 {"}'M' greentint -9.829 1.424 -4.767 {"}'M' greentint -9.71 1.645 -4.758 {"}'M' greentint -9.54 1.829 -4.75 {"}'M' greentint -9.329 1.965 -4.744 {"}'M' greentint -9.862 1.053 -4.524 {"}'M' greentint -9.829 1.302 -4.514 {"}'M' greentint -9.733 1.535 -4.503 {"}'M' greentint -9.579 1.735 -4.495 {"}'M' greentint -9.379 1.888 -4.488 {"}'M' greentint -9.754 1.163 -4.278 {"}'M' greentint -9.68 1.41 -4.267 {"}'M' greentint -9.536 1.625 -4.258 {"}'M' greentint -9.336 1.787 -4.251 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 179 A}'M' greentint -9.486 1.398 -5.49 {"}'M' greentint -9.191 1.856 -5.229 {"}'M' greentint -9.262 1.61 -5.239 {"}'M' greentint -9.378 1.382 -5.249 {"}'M' greentint -9.535 1.18 -5.258 {"}'M' greentint -9.727 1.012 -5.265 {"}'M' greentint -9.145 1.836 -4.975 {"}'M' greentint -9.215 1.589 -4.986 {"}'M' greentint -9.33 1.358 -4.996 {"}'M' greentint -9.485 1.153 -5.005 {"}'M' greentint -9.675 0.98 -5.013 {"}'M' greentint -9.143 1.833 -4.717 {"}'M' greentint -9.212 1.585 -4.728 {"}'M' greentint -9.325 1.354 -4.738 {"}'M' greentint -9.479 1.148 -4.747 {"}'M' greentint -9.668 0.974 -4.754 {"}'M' greentint -9.193 1.815 -4.463 {"}'M' greentint -9.265 1.569 -4.474 {"}'M' greentint -9.382 1.342 -4.484 {"}'M' greentint -9.54 1.141 -4.493 {"}'M' greentint -9.734 0.973 -4.5 {"}'M' greentint -9.36 1.572 -4.233 {"}'M' greentint -9.482 1.35 -4.242 {"}'M' greentint -9.646 1.157 -4.251 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n gly A 4 1mk0A_6Y_19G}P -11.89 -3.303 -0.462 {"}-11.89 -3.303 -0.462 { ca gly A 4 1mk0A_6Y_19G}-10.892 -2.303 -0.143 { c gly A 4 1mk0A_6Y_19G}-10.744 -1.241 -1.208 { o gly A 4 1mk0A_6Y_19G}-11.66 -0.993 -1.996 { c gly A 4 1mk0A_6Y_19G}P -10.744 -1.241 -1.208 { n ile A 5 1mk0A_6Y_19G}-9.571 -0.622 -1.223 { ca ile A 5 1mk0A_6Y_19G}-9.256 0.436 -2.17 { c ile A 5 1mk0A_6Y_19G}-8.345 -0.129 -3.249 { o ile A 5 1mk0A_6Y_19G}-7.443 -0.92 -2.965 { c ile A 5 1mk0A_6Y_19G}P -8.345 -0.129 -3.249 { n tyr A 6 1mk0A_6Y_19G}-8.576 0.284 -4.489 { ca tyr A 6 1mk0A_6Y_19G}-7.775 -0.205 -5.6 { c tyr A 6 1mk0A_6Y_19G}-7.396 0.92 -6.55 { o tyr A 6 1mk0A_6Y_19G}-7.897 2.038 -6.444 { c tyr A 6 1mk0A_6Y_19G}P -7.396 0.92 -6.55 { n gln A 7 1mk0A_6Y_19G}-6.5 0.611 -7.48 { ca gln A 7 1mk0A_6Y_19G}-6.103 1.574 -8.492 { c gln A 7 1mk0A_6Y_19G}-6.165 0.873 -9.844 { o gln A 7 1mk0A_6Y_19G}-5.932 -0.335 -9.942 { c gln A 7 1mk0A_6Y_19G}P -6.165 0.873 -9.844 { n ile A 8 1mk0A_6Y_19G}-6.53 1.631 -10.874 { ca ile A 8 1mk0A_6Y_19G}-6.572 1.128 -12.242 { c ile A 8 1mk0A_6Y_19G}-5.56 2.039 -12.916 { o ile A 8 1mk0A_6Y_19G}-5.785 3.242 -13.034 { n tyr A 17 1mk0A_6Y_19G}P -6.697 5.576 -11.662 {"}-6.697 5.576 -11.662 { ca tyr A 17 1mk0A_6Y_19G}-8.066 5.802 -11.229 { c tyr A 17 1mk0A_6Y_19G}-8.115 5.076 -9.888 { o tyr A 17 1mk0A_6Y_19G}-7.776 3.895 -9.812 { c tyr A 17 1mk0A_6Y_19G}P -8.115 5.076 -9.888 { n val A 18 1mk0A_6Y_19G}-8.507 5.781 -8.834 { ca val A 18 1mk0A_6Y_19G}-8.606 5.18 -7.508 { c val A 18 1mk0A_6Y_19G}-10.071 4.913 -7.187 { o val A 18 1mk0A_6Y_19G}-10.924 5.765 -7.398 { c val A 18 1mk0A_6Y_19G}P -10.071 4.913 -7.187 { n gly A 19 1mk0A_6Y_19G}-10.366 3.72 -6.682 { ca gly A 19 1mk0A_6Y_19G}-11.742 3.4 -6.349 { c gly A 19 1mk0A_6Y_19G}-11.845 2.463 -5.163 { o gly A 19 1mk0A_6Y_19G}-10.837 2.082 -4.579 { c gly A 19 1mk0A_6Y_19G}P -11.845 2.463 -5.163 { n ser A 20 1mk0A_6Y_19G}-13.072 2.102 -4.8 { ca ser A 20 1mk0A_6Y_19G}-13.303 1.193 -3.682 { c ser A 20 1mk0A_6Y_19G}-14.245 0.09 -4.146 { o ser A 20 1mk0A_6Y_19G}-15.076 0.306 -5.025 { c ser A 20 1mk0A_6Y_19G}P -14.245 0.09 -4.146 { n ala A 21 1mk0A_6Y_19G}-14.122 -1.097 -3.565 { ca ala A 21 1mk0A_6Y_19G}-14.983 -2.193 -3.986 { c ala A 21 1mk0A_6Y_19G}-15.344 -3.171 -2.889 { o ala A 21 1mk0A_6Y_19G}-14.575 -3.388 -1.948 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n gly A 4 1mk0A_6Y_19G}P -11.89 -3.303 -0.462 { ca gly A 4 1mk0A_6Y_19G}P -10.892 -2.303 -0.143 {"}P -10.892 -2.303 -0.143 { n ile A 5 1mk0A_6Y_19G}P -9.571 -0.622 -1.223 { ca ile A 5 1mk0A_6Y_19G}P -9.256 0.436 -2.17 { n tyr A 6 1mk0A_6Y_19G}P -8.576 0.284 -4.489 { ca tyr A 6 1mk0A_6Y_19G}P -7.775 -0.205 -5.6 { n gln A 7 1mk0A_6Y_19G}P -6.5 0.611 -7.48 { ca gln A 7 1mk0A_6Y_19G}P -6.103 1.574 -8.492 { n ile A 8 1mk0A_6Y_19G}P -6.53 1.631 -10.874 { ca ile A 8 1mk0A_6Y_19G}P -6.572 1.128 -12.242 { n tyr A 17 1mk0A_6Y_19G}P -6.697 5.576 -11.662 { ca tyr A 17 1mk0A_6Y_19G}P -8.066 5.802 -11.229 { n val A 18 1mk0A_6Y_19G}P -8.507 5.781 -8.834 { ca val A 18 1mk0A_6Y_19G}P -8.606 5.18 -7.508 { n gly A 19 1mk0A_6Y_19G}P -10.366 3.72 -6.682 { ca gly A 19 1mk0A_6Y_19G}P -11.742 3.4 -6.349 {"}P -11.742 3.4 -6.349 { n ser A 20 1mk0A_6Y_19G}P -13.072 2.102 -4.8 { ca ser A 20 1mk0A_6Y_19G}P -13.303 1.193 -3.682 { n ala A 21 1mk0A_6Y_19G}P -14.122 -1.097 -3.565 { ca ala A 21 1mk0A_6Y_19G}P -14.983 -2.193 -3.986 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca gly A 4 1mk0A_6Y_19G}P -10.892 -2.303 -0.143 {"}-10.892 -2.303 -0.143 { ca ile A 5 1mk0A_6Y_19G}-9.256 0.436 -2.17 { ca tyr A 6 1mk0A_6Y_19G}-7.775 -0.205 -5.6 { ca gln A 7 1mk0A_6Y_19G}-6.103 1.574 -8.492 { ca ile A 8 1mk0A_6Y_19G}-6.572 1.128 -12.242 { ca tyr A 17 1mk0A_6Y_19G}P -8.066 5.802 -11.229 {"}-8.066 5.802 -11.229 { ca val A 18 1mk0A_6Y_19G}-8.606 5.18 -7.508 { ca gly A 19 1mk0A_6Y_19G}-11.742 3.4 -6.349 { ca ser A 20 1mk0A_6Y_19G}-13.303 1.193 -3.682 { ca ala A 21 1mk0A_6Y_19G}-14.983 -2.193 -3.986 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ile A 5 1mk0A_6Y_19G}P -9.256 0.436 -2.17 { ca tyr A 6 1mk0A_6Y_19G}P -7.775 -0.205 -5.6 { cb tyr A 6 1mk0A_6Y_19G}-8.569 -1.261 -6.373 { cg tyr A 6 1mk0A_6Y_19G}-9.827 -0.704 -7.005 { cd1 tyr A 6 1mk0A_6Y_19G}-9.776 -0.014 -8.219 { ce1 tyr A 6 1mk0A_6Y_19G}-10.915 0.558 -8.769 { cz tyr A 6 1mk0A_6Y_19G}-12.123 0.445 -8.102 { oh tyr A 6 1mk0A_6Y_19G}-13.247 1.026 -8.622 { cg tyr A 6 1mk0A_6Y_19G}P -9.827 -0.704 -7.005 { cd2 tyr A 6 1mk0A_6Y_19G}-11.055 -0.809 -6.36 { ce2 tyr A 6 1mk0A_6Y_19G}-12.201 -0.238 -6.899 { cz tyr A 6 1mk0A_6Y_19G}ghost -12.123 0.445 -8.102 { ca gln A 7 1mk0A_6Y_19G}P -6.103 1.574 -8.492 { ca ile A 8 1mk0A_6Y_19G}P -6.572 1.128 -12.242 { ca tyr A 17 1mk0A_6Y_19G}P -8.066 5.802 -11.229 { ca val A 18 1mk0A_6Y_19G}P -8.606 5.18 -7.508 { ca ser A 20 1mk0A_6Y_19G}P -13.303 1.193 -3.682 { ca ala A 21 1mk0A_6Y_19G}P -14.983 -2.193 -3.986 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 6 1mk0A_6Y_19G}P -8.569 -1.261 -6.373 {"}P -8.569 -1.261 -6.373 { cd1 tyr A 6 1mk0A_6Y_19G}P -9.776 -0.014 -8.219 { cd2 tyr A 6 1mk0A_6Y_19G}P -11.055 -0.809 -6.36 { ce1 tyr A 6 1mk0A_6Y_19G}P -10.915 0.558 -8.769 { ce2 tyr A 6 1mk0A_6Y_19G}P -12.201 -0.238 -6.899 { oh tyr A 6 1mk0A_6Y_19G}P -13.247 1.026 -8.622 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 6 1mk0A_6Y_19G}P -7.775 -0.205 -5.6 { cb tyr A 6 1mk0A_6Y_19G}-8.569 -1.261 -6.373 { cg tyr A 6 1mk0A_6Y_19G}-9.827 -0.704 -7.005 { cd1 tyr A 6 1mk0A_6Y_19G}-9.776 -0.014 -8.219 { ce1 tyr A 6 1mk0A_6Y_19G}-10.915 0.558 -8.769 { cz tyr A 6 1mk0A_6Y_19G}-12.123 0.445 -8.102 { oh tyr A 6 1mk0A_6Y_19G}-13.247 1.026 -8.622 { cg tyr A 6 1mk0A_6Y_19G}P -9.827 -0.704 -7.005 { cd2 tyr A 6 1mk0A_6Y_19G}-11.055 -0.809 -6.36 { ce2 tyr A 6 1mk0A_6Y_19G}-12.201 -0.238 -6.899 { cz tyr A 6 1mk0A_6Y_19G}ghost -12.123 0.445 -8.102 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 6 1mk0A_6Y_19G}P -8.569 -1.261 -6.373 {"}P -8.569 -1.261 -6.373 { cd1 tyr A 6 1mk0A_6Y_19G}P -9.776 -0.014 -8.219 { cd2 tyr A 6 1mk0A_6Y_19G}P -11.055 -0.809 -6.36 { ce1 tyr A 6 1mk0A_6Y_19G}P -10.915 0.558 -8.769 { ce2 tyr A 6 1mk0A_6Y_19G}P -12.201 -0.238 -6.899 { oh tyr A 6 1mk0A_6Y_19G}P -13.247 1.026 -8.622 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 6 A}'P' blue -11.367 2.185 -8.308 {"}'P' sky -11.426 2.075 -8.063 {"}'P' blue -11.178 2.136 -8.06 @dotlist {x} color= white width= 1 master= {vdw contact} { CZ TYR 6 A}'P' green -12.511 2.15 -8.158 {"}'P' green -12.253 2.189 -8.157 {"}'P' green -11.993 2.189 -8.157 {"}'P' green -12.821 1.983 -7.645 {"}'P' green -11.546 2.032 -7.643 {"}'P' green -12.87 1.863 -7.4 {"}'P' green -12.805 1.759 -7.169 {"}'P' green -12.326 1.749 -6.953 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ TYR 6 A}'P' P -12.519 2.137 -7.897 {"}'P' -12.51 2.098 -7.902 {"}'P' P -12.262 2.177 -7.895 {"}'P' -12.256 2.103 -7.904 {"}'P' P -12.001 2.178 -7.895 {"}'P' -12.005 2.116 -7.903 {"}'P' P -11.743 2.141 -7.897 {"}'P' -11.744 2.134 -7.898 {"}'P' P -12.575 2.072 -7.641 {"}'P' -12.556 2.004 -7.66 {"}'P' P -12.319 2.121 -7.639 {"}'P' -12.305 2.003 -7.672 {"}'P' P -12.058 2.131 -7.639 {"}'P' -12.062 2.014 -7.671 {"}'P' P -11.798 2.101 -7.64 {"}'P' -11.811 2.037 -7.658 {"}'P' P -12.634 1.962 -7.396 {"}'P' -12.62 1.92 -7.416 {"}'P' P -12.386 2.023 -7.393 {"}'P' -12.369 1.922 -7.439 {"}'P' P -12.131 2.045 -7.392 {"}'P' -12.131 1.929 -7.443 {"}'P' P -11.876 2.026 -7.393 {"}'P' -11.888 1.947 -7.428 {"}'P' P -11.627 1.967 -7.396 {"}'P' -11.629 1.962 -7.398 {"}'P' P -12.567 1.855 -7.165 {"}'P' -12.563 1.841 -7.173 {"}'P' P -12.316 1.909 -7.162 {"}'P' -12.308 1.853 -7.198 {"}'P' P -12.059 1.92 -7.162 {"}'P' -12.061 1.863 -7.198 {"}'P' P -11.804 1.887 -7.163 {"}'P' -11.807 1.874 -7.172 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 6 A}'P' sky -12.873 2.362 -8.434 {"}'P' sky -12.633 2.271 -8.438 {"}'P' sky -12.413 2.137 -8.444 {"}'P' sky -13.183 2.353 -8.181 {"}'P' sky -13.319 2.249 -7.944 {"}'P' sky -13.312 2.103 -7.73 { HH TYR 6 A}'P' blue -13.422 2.019 -7.594 {"}'P' blue -13.372 1.855 -7.36 {"}'P' blue -13.194 1.667 -7.368 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 6 A}'P' sea -12.93 2.317 -8.182 {"}'P' green -12.688 2.233 -8.186 {"}'P' green -13.065 2.238 -7.944 {"}'P' green -12.819 2.176 -7.947 {"}'P' green -13.053 2.088 -7.731 {"}'P' sea -13.063 1.905 -7.548 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 19 A}'P' sky -12.478 2.543 -8.292 {"}'P' blue -11.458 2.485 -7.97 {"}'P' sky -13.165 2.473 -7.749 {"}'P' blue -13.081 2.136 -7.255 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 19 A}'P' green -12.105 2.262 -8.165 {"}'P' green -12.359 2.262 -8.165 {"}'P' green -12.597 2.349 -8.161 {"}'P' sea -12.791 2.511 -8.154 {"}'P' green -12.604 2.137 -7.985 {"}'P' green -12.825 2.276 -7.979 {"}'P' sea -12.997 2.471 -7.971 {"}'P' green -11.633 2.095 -7.765 {"}'P' green -12.831 2.095 -7.765 {"}'P' green -13.021 2.264 -7.758 {"}'P' green -11.514 2.065 -7.519 {"}'P' green -12.937 2.055 -7.519 {"}'P' sea -13.119 2.234 -7.511 {"}'P' green -12.478 1.816 -7.008 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 19 A}'P' P -11.844 2.144 -7.985 {"}'P' -11.848 2.152 -7.977 {"}'P' P -12.094 2.068 -7.988 {"}'P' -12.101 2.114 -7.948 {"}'P' P -12.354 2.066 -7.988 {"}'P' -12.348 2.107 -7.953 {"}'P' P -11.858 1.977 -7.77 {"}'P' -11.884 2.043 -7.733 {"}'P' P -12.105 1.917 -7.773 {"}'P' -12.118 2.022 -7.716 {"}'P' P -12.359 1.917 -7.773 {"}'P' -12.347 2.014 -7.72 {"}'P' P -12.606 1.977 -7.77 {"}'P' -12.588 2.022 -7.744 {"}'P' P -11.73 1.928 -7.525 {"}'P' -11.753 1.976 -7.51 {"}'P' P -11.97 1.842 -7.529 {"}'P' -11.996 1.951 -7.498 {"}'P' P -12.224 1.812 -7.53 {"}'P' -12.225 1.939 -7.495 {"}'P' P -12.478 1.839 -7.529 {"}'P' -12.457 1.934 -7.502 {"}'P' P -12.72 1.921 -7.525 {"}'P' -12.708 1.946 -7.518 {"}'P' P -11.684 1.907 -7.265 {"}'P' -11.686 1.911 -7.265 {"}'P' P -11.919 1.814 -7.269 {"}'P' -11.937 1.879 -7.266 {"}'P' P -12.169 1.773 -7.271 {"}'P' -12.174 1.864 -7.267 {"}'P' P -12.421 1.787 -7.27 {"}'P' -12.41 1.857 -7.267 {"}'P' P -12.665 1.854 -7.267 {"}'P' -12.66 1.866 -7.267 {"}'P' P -12.224 1.789 -7.01 {"}'P' -12.224 1.797 -7.011 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 6 A}'M' green -8.848 2.881 -7.032 {"}'M' green -9.291 2.044 -6.573 {"}'M' green -9.237 2.149 -6.056 {"}'M' green -8.779 3.038 -6.017 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 6 A}'M' greentint -9.093 2.44 -7.051 {"}'M' greentint -8.993 2.673 -7.041 {"}'M' greentint -9.238 2.174 -6.822 {"}'M' greentint -9.191 2.426 -6.811 {"}'M' greentint -9.098 2.664 -6.8 {"}'M' greentint -8.96 2.88 -6.791 {"}'M' greentint -8.785 3.066 -6.783 {"}'M' greentint -9.267 2.3 -6.562 {"}'M' greentint -9.197 2.547 -6.551 {"}'M' greentint -9.082 2.777 -6.541 {"}'M' greentint -8.927 2.982 -6.532 {"}'M' greentint -8.737 3.155 -6.525 {"}'M' greentint -9.269 2.28 -6.304 {"}'M' greentint -9.2 2.528 -6.293 {"}'M' greentint -9.087 2.759 -6.283 {"}'M' greentint -8.933 2.965 -6.274 {"}'M' greentint -8.744 3.139 -6.267 {"}'M' greentint -9.189 2.4 -6.045 {"}'M' greentint -9.094 2.638 -6.034 {"}'M' greentint -8.955 2.853 -6.025 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 19 A}'M' green -9.156 2.344 -7.033 {"}'M' green -8.836 2.979 -6.004 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 19 A}'M' greentint -8.872 2.768 -7.014 {"}'M' greentint -8.982 2.534 -7.025 {"}'M' greentint -8.769 2.755 -6.773 {"}'M' greentint -8.865 2.522 -6.784 {"}'M' greentint -9.019 2.322 -6.792 {"}'M' greentint -9.219 2.169 -6.799 {"}'M' greentint -8.736 3.004 -6.763 {"}'M' greentint -8.731 2.752 -6.515 {"}'M' greentint -8.822 2.519 -6.525 {"}'M' greentint -8.968 2.315 -6.534 {"}'M' greentint -9.159 2.154 -6.541 {"}'M' greentint -8.702 3.001 -6.504 {"}'M' greentint -8.769 2.732 -6.256 {"}'M' greentint -8.865 2.499 -6.266 {"}'M' greentint -9.019 2.299 -6.275 {"}'M' greentint -9.219 2.146 -6.282 {"}'M' greentint -8.736 2.982 -6.245 {"}'M' greentint -8.872 2.724 -6.015 {"}'M' greentint -8.982 2.491 -6.025 {"}'M' greentint -9.156 2.3 -6.034 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 6 A}'M' greentint -10.147 1.079 -5.237 {"}'M' greentint -10.073 1.326 -5.226 {"}'M' greentint -9.929 1.54 -5.217 {"}'M' greentint -9.729 1.703 -5.21 {"}'M' greentint -10.255 0.947 -5.002 {"}'M' greentint -10.222 1.197 -4.991 {"}'M' greentint -10.126 1.43 -4.981 {"}'M' greentint -9.972 1.63 -4.972 {"}'M' greentint -9.772 1.783 -4.965 {"}'M' greentint -9.539 1.879 -4.961 {"}'M' greentint -10.282 1.053 -4.738 {"}'M' greentint -10.222 1.296 -4.727 {"}'M' greentint -10.103 1.517 -4.718 {"}'M' greentint -9.933 1.701 -4.71 {"}'M' greentint -9.722 1.837 -4.704 {"}'M' greentint -9.484 1.916 -4.7 {"}'M' greentint -10.255 0.925 -4.484 {"}'M' greentint -10.222 1.174 -4.474 {"}'M' greentint -10.126 1.407 -4.463 {"}'M' greentint -9.972 1.607 -4.455 {"}'M' greentint -9.772 1.76 -4.448 {"}'M' greentint -9.539 1.857 -4.444 {"}'M' greentint -10.147 1.035 -4.238 {"}'M' greentint -10.073 1.282 -4.227 {"}'M' greentint -9.929 1.497 -4.218 {"}'M' greentint -9.729 1.659 -4.211 {"}'M' greentint -9.89 1.277 -4.02 {"}'M' greentint -9.715 1.469 -4.012 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 19 A}'M' greentint -9.685 1.615 -5.224 {"}'M' greentint -9.808 1.394 -5.234 {"}'M' greentint -9.974 1.202 -5.242 {"}'M' greentint -9.513 1.852 -4.973 {"}'M' greentint -9.584 1.606 -4.983 {"}'M' greentint -9.7 1.378 -4.993 {"}'M' greentint -9.857 1.176 -5.002 {"}'M' greentint -10.049 1.008 -5.009 {"}'M' greentint -9.467 1.832 -4.719 {"}'M' greentint -9.537 1.585 -4.73 {"}'M' greentint -9.652 1.354 -4.74 {"}'M' greentint -9.807 1.149 -4.749 {"}'M' greentint -9.997 0.976 -4.757 {"}'M' greentint -10.216 0.841 -4.762 {"}'M' greentint -9.465 1.829 -4.461 {"}'M' greentint -9.534 1.581 -4.472 {"}'M' greentint -9.647 1.35 -4.482 {"}'M' greentint -9.801 1.144 -4.491 {"}'M' greentint -9.99 0.97 -4.498 {"}'M' greentint -10.208 0.833 -4.504 {"}'M' greentint -9.587 1.565 -4.218 {"}'M' greentint -9.704 1.338 -4.228 {"}'M' greentint -9.862 1.137 -4.237 {"}'M' greentint -10.056 0.969 -4.244 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n arg A 90 1nlsA_213F_92G}P -7.497 5.255 -12.714 {"}-7.497 5.255 -12.714 { ca arg A 90 1nlsA_213F_92G}-8.585 5.718 -11.833 { c arg A 90 1nlsA_213F_92G}-8.361 5.079 -10.455 { o arg A 90 1nlsA_213F_92G}-7.753 4.018 -10.34 { c arg A 90 1nlsA_213F_92G}P -8.361 5.079 -10.455 { n val A 91 1nlsA_213F_92G}-8.888 5.762 -9.427 { ca val A 91 1nlsA_213F_92G}-8.834 5.269 -8.045 { c val A 91 1nlsA_213F_92G}-10.294 5.02 -7.57 { o val A 91 1nlsA_213F_92G}-11.226 5.687 -8.013 { c val A 91 1nlsA_213F_92G}P -10.294 5.02 -7.57 { n gly A 92 1nlsA_213F_92G}-10.436 4.013 -6.686 { ca gly A 92 1nlsA_213F_92G}-11.764 3.614 -6.293 { c gly A 92 1nlsA_213F_92G}-11.818 2.829 -4.995 { o gly A 92 1nlsA_213F_92G}-10.798 2.47 -4.4 { c gly A 92 1nlsA_213F_92G}P -11.818 2.829 -4.995 { n leu A 93 1nlsA_213F_92G}-13.068 2.584 -4.597 { ca leu A 93 1nlsA_213F_92G}-13.407 1.667 -3.492 { c leu A 93 1nlsA_213F_92G}-14.273 0.536 -4.051 { o leu A 93 1nlsA_213F_92G}-15.153 0.799 -4.889 { c leu A 93 1nlsA_213F_92G}P -14.273 0.536 -4.051 { n ser A 94 1nlsA_213F_92G}-14.084 -0.665 -3.577 { ca ser A 94 1nlsA_213F_92G}-14.847 -1.856 -4.034 { c ser A 94 1nlsA_213F_92G}-15.243 -2.664 -2.792 { o ser A 94 1nlsA_213F_92G}-14.546 -2.685 -1.788 { n ala A 211 1nlsA_213F_92G}P -12.124 -2.907 -0.371 {"}-12.124 -2.907 -0.371 { ca ala A 211 1nlsA_213F_92G}-10.763 -2.612 -0.848 { c ala A 211 1nlsA_213F_92G}-10.72 -1.17 -1.401 { o ala A 211 1nlsA_213F_92G}-11.654 -0.676 -2.033 { c ala A 211 1nlsA_213F_92G}P -10.72 -1.17 -1.401 { n phe A 212 1nlsA_213F_92G}-9.561 -0.528 -1.19 { ca phe A 212 1nlsA_213F_92G}-9.151 0.669 -1.977 { c phe A 212 1nlsA_213F_92G}-8.307 0.154 -3.135 { o phe A 212 1nlsA_213F_92G}-7.403 -0.68 -2.933 { c phe A 212 1nlsA_213F_92G}P -8.307 0.154 -3.135 { n phe A 213 1nlsA_213F_92G}-8.599 0.613 -4.349 { ca phe A 213 1nlsA_213F_92G}-7.864 0.086 -5.52 { c phe A 213 1nlsA_213F_92G}-7.522 1.23 -6.486 { o phe A 213 1nlsA_213F_92G}-8.093 2.305 -6.508 { c phe A 213 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-8.248 {"}'P' blue -12.036 1.96 -8.248 {"}'P' sky -12.61 1.854 -7.994 {"}'P' sky -12.354 1.903 -7.992 {"}'P' sky -11.833 1.883 -7.993 {"}'P' sky -12.669 1.744 -7.749 {"}'P' sky -11.662 1.749 -7.749 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 213 A}'P' sea -12.69 1.708 -7.411 {"}'P' green -12.434 1.759 -7.409 {"}'P' green -12.173 1.771 -7.409 {"}'P' sea -11.913 1.742 -7.41 {"}'P' green -12.618 1.755 -7.15 {"}'P' green -12.36 1.794 -7.149 {"}'P' green -12.1 1.794 -7.149 {"}'P' green -11.842 1.755 -7.15 {"}'P' sea -12.626 1.742 -6.889 {"}'P' green -12.369 1.782 -6.887 {"}'P' green -12.108 1.783 -6.887 {"}'P' sea -11.85 1.746 -6.889 {"}'P' sea -12.426 1.726 -6.631 {"}'P' sea -12.165 1.736 -6.631 { CZ PHE 213 A}'P' sea -12.093 1.913 -7.992 {"}'P' sea -12.421 1.805 -7.746 {"}'P' sea -12.166 1.827 -7.745 {"}'P' sea -11.911 1.808 -7.746 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 92 A}'P' blue -12.078 2.326 -8.041 {"}'P' blue -12.332 2.326 -8.041 {"}'P' sky -11.817 2.208 -7.861 {"}'P' blue -12.577 2.201 -7.861 {"}'P' sky -11.831 2.041 -7.646 {"}'P' sky -12.579 2.041 -7.646 {"}'P' sky -11.703 1.992 -7.401 {"}'P' sky -12.693 1.985 -7.401 {"}'P' sky -11.657 1.971 -7.141 {"}'P' sky -12.862 2.037 -7.138 {"}'P' sky -12.579 1.997 -6.632 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 92 A}'P' sea -12.067 2.132 -7.864 {"}'P' sea -12.327 2.13 -7.864 {"}'P' sea -12.078 1.981 -7.649 {"}'P' sea -12.332 1.981 -7.649 {"}'P' sea -11.943 1.906 -7.405 {"}'P' green -12.197 1.876 -7.406 {"}'P' green -12.451 1.903 -7.405 {"}'P' green -11.892 1.878 -7.145 {"}'P' green -12.142 1.837 -7.147 {"}'P' green -12.394 1.851 -7.146 {"}'P' sea -12.638 1.918 -7.143 {"}'P' green -11.943 1.883 -6.884 {"}'P' green -12.197 1.853 -6.886 {"}'P' green -12.451 1.88 -6.884 {"}'P' sea -12.693 1.962 -6.881 {"}'P' sea -12.332 1.936 -6.634 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 213 A}'M' green -9.463 2.567 -6.626 {"}'M' green -8.714 3.557 -6.583 {"}'M' green -9.291 2.645 -5.869 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 213 A}'M' greentint -9.294 2.931 -6.864 {"}'M' greentint -9.156 3.147 -6.855 {"}'M' greentint -8.981 3.333 -6.847 {"}'M' greentint -9.393 2.814 -6.615 {"}'M' greentint -9.278 3.044 -6.605 {"}'M' greentint -9.123 3.249 -6.596 {"}'M' greentint -8.933 3.422 -6.589 {"}'M' greentint -9.465 2.547 -6.368 {"}'M' greentint -9.396 2.795 -6.357 {"}'M' greentint -9.283 3.026 -6.347 {"}'M' greentint -9.129 3.232 -6.338 {"}'M' greentint -8.94 3.406 -6.331 {"}'M' greentint -8.722 3.542 -6.325 {"}'M' greentint -9.385 2.667 -6.109 {"}'M' greentint -9.29 2.905 -6.098 {"}'M' greentint -9.151 3.12 -6.089 {"}'M' greentint -8.975 3.305 -6.081 {"}'M' greentint -8.766 3.453 -6.074 {"}'M' greentint -9.193 2.878 -5.858 {"}'M' greentint -9.049 3.087 -5.849 {"}'M' greentint -8.866 3.263 -5.842 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 92 A}'M' greentint -9.164 3.057 -6.993 {"}'M' greentint -8.857 3.277 -6.776 {"}'M' greentint -8.967 3.043 -6.787 {"}'M' greentint -9.141 2.853 -6.795 {"}'M' greentint -9.363 2.721 -6.801 {"}'M' greentint -8.754 3.264 -6.535 {"}'M' greentint -8.85 3.031 -6.546 {"}'M' greentint -9.004 2.831 -6.554 {"}'M' greentint -9.204 2.678 -6.561 {"}'M' greentint -9.437 2.581 -6.565 {"}'M' greentint -8.721 3.513 -6.525 {"}'M' greentint -8.716 3.261 -6.277 {"}'M' greentint -8.807 3.028 -6.287 {"}'M' greentint -8.953 2.824 -6.296 {"}'M' greentint -9.144 2.663 -6.303 {"}'M' greentint -9.37 2.554 -6.307 {"}'M' greentint -8.687 3.51 -6.266 {"}'M' greentint -8.754 3.241 -6.018 {"}'M' greentint -8.85 3.008 -6.028 {"}'M' greentint -9.004 2.808 -6.037 {"}'M' greentint -9.204 2.655 -6.044 {"}'M' greentint -8.967 3 -5.787 {"}'M' greentint -9.141 2.809 -5.796 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 213 A}'M' greentint -10.15 1.447 -5.044 {"}'M' greentint -10.076 1.694 -5.033 {"}'M' greentint -9.932 1.908 -5.024 {"}'M' greentint -9.732 2.071 -5.017 {"}'M' greentint -10.258 1.315 -4.809 {"}'M' greentint -10.225 1.565 -4.798 {"}'M' greentint -10.129 1.798 -4.788 {"}'M' greentint -9.975 1.998 -4.779 {"}'M' greentint -9.775 2.151 -4.772 {"}'M' greentint -9.542 2.247 -4.768 {"}'M' greentint -10.285 1.421 -4.545 {"}'M' greentint -10.225 1.664 -4.534 {"}'M' greentint -10.106 1.885 -4.525 {"}'M' greentint -9.936 2.069 -4.517 {"}'M' greentint -9.725 2.205 -4.511 {"}'M' greentint -9.487 2.284 -4.507 {"}'M' greentint -10.258 1.293 -4.291 {"}'M' greentint -10.225 1.542 -4.281 {"}'M' greentint -10.129 1.775 -4.27 {"}'M' greentint -9.975 1.975 -4.262 {"}'M' greentint -9.775 2.128 -4.255 {"}'M' greentint -9.542 2.225 -4.251 {"}'M' greentint -10.15 1.403 -4.045 {"}'M' greentint -10.076 1.65 -4.034 {"}'M' greentint -9.932 1.865 -4.025 {"}'M' greentint -9.732 2.027 -4.018 {"}'M' greentint -9.893 1.645 -3.827 {"}'M' greentint -9.718 1.837 -3.819 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 92 A}'M' greentint -9.646 2.003 -5.045 {"}'M' greentint -9.769 1.782 -5.055 {"}'M' greentint -9.935 1.59 -5.063 {"}'M' greentint -10.135 1.435 -5.07 {"}'M' greentint -9.474 2.24 -4.794 {"}'M' greentint -9.545 1.994 -4.804 {"}'M' greentint -9.661 1.766 -4.814 {"}'M' greentint -9.818 1.564 -4.823 {"}'M' greentint -10.01 1.396 -4.83 {"}'M' greentint -10.231 1.266 -4.836 {"}'M' greentint -9.428 2.22 -4.54 {"}'M' greentint -9.498 1.973 -4.551 {"}'M' greentint -9.613 1.742 -4.561 {"}'M' greentint -9.768 1.537 -4.57 {"}'M' greentint -9.958 1.364 -4.578 {"}'M' greentint -10.177 1.229 -4.583 {"}'M' greentint -9.426 2.217 -4.282 {"}'M' greentint -9.495 1.969 -4.293 {"}'M' greentint -9.608 1.738 -4.303 {"}'M' greentint -9.762 1.532 -4.312 {"}'M' greentint -9.951 1.358 -4.319 {"}'M' greentint -10.169 1.221 -4.325 {"}'M' greentint -9.548 1.953 -4.039 {"}'M' greentint -9.665 1.726 -4.049 {"}'M' greentint -9.823 1.525 -4.058 {"}'M' greentint -10.017 1.357 -4.065 {"}'M' greentint -9.765 1.734 -3.807 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n phe A 662 1o91A_664Y_701}P -11.724 -1.791 1.149 {"}-11.724 -1.791 1.149 { ca phe A 662 1o91A_664Y_701}-10.961 -2.167 -0.031 { c phe A 662 1o91A_664Y_701}-10.637 -0.924 -0.84 { o phe A 662 1o91A_664Y_701}-11.432 0.011 -0.9 { c phe A 662 1o91A_664Y_701}P -10.637 -0.924 -0.84 { n ala A 663 1o91A_664Y_701}-9.464 -0.918 -1.462 { ca ala A 663 1o91A_664Y_701}-9.044 0.207 -2.283 { c ala A 663 1o91A_664Y_701}-8.367 -0.346 -3.526 { o ala A 663 1o91A_664Y_701}-7.668 -1.356 -3.462 { c ala A 663 1o91A_664Y_701}P -8.367 -0.346 -3.526 { n tyr A 664 1o91A_664Y_701}-8.58 0.306 -4.661 { ca tyr A 664 1o91A_664Y_701}-7.973 -0.155 -5.898 { c tyr A 664 1o91A_664Y_701}-7.619 1.001 -6.811 { o tyr A 664 1o91A_664Y_701}-8.256 2.057 -6.782 { c tyr A 664 1o91A_664Y_701}P -7.619 1.001 -6.811 { n his A 665 1o91A_664Y_701}-6.581 0.795 -7.611 { ca his A 665 1o91A_664Y_701}-6.11 1.804 -8.547 { c his A 665 1o91A_664Y_701}-5.793 1.1 -9.852 { o his A 665 1o91A_664Y_701}-4.964 0.188 -9.885 { c his A 665 1o91A_664Y_701}P -5.793 1.1 -9.852 { n val A 666 1o91A_664Y_701}-6.457 1.515 -10.924 { ca val A 666 1o91A_664Y_701}-6.24 0.894 -12.221 { c val A 666 1o91A_664Y_701}-5.82 1.888 -13.294 { o val A 666 1o91A_664Y_701}-6.417 2.957 -13.444 { n ala A 699 1o91A_664Y_701}P -7.563 5.559 -12.727 {"}-7.563 5.559 -12.727 { ca ala A 699 1o91A_664Y_701}-8.835 5.759 -12.044 { c ala A 699 1o91A_664Y_701}-8.77 4.905 -10.78 { o ala A 699 1o91A_664Y_701}-8.124 3.856 -10.766 { c ala A 699 1o91A_664Y_701}P -8.77 4.905 -10.78 { n ser A 700 1o91A_664Y_701}-9.435 5.344 -9.719 { ca ser A 700 1o91A_664Y_701}-9.392 4.601 -8.47 { c ser A 700 1o91A_664Y_701}-10.757 4.45 -7.826 { o ser A 700 1o91A_664Y_701}-11.747 5.024 -8.281 { c ser A 700 1o91A_664Y_701}P -10.757 4.45 -7.826 { n gly A 701 1o91A_664Y_701}-10.785 3.677 -6.745 { ca gly A 701 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-0.585 -6.947 { cd2 tyr A 664 1o91A_664Y_701}-11.355 -0.752 -6.068 { ce2 tyr A 664 1o91A_664Y_701}-12.62 -0.243 -6.367 { cz tyr A 664 1o91A_664Y_701}ghost -12.819 0.442 -7.558 { ca his A 665 1o91A_664Y_701}P -6.11 1.804 -8.547 { ca val A 666 1o91A_664Y_701}P -6.24 0.894 -12.221 { ca ala A 699 1o91A_664Y_701}P -8.835 5.759 -12.044 { ca ser A 700 1o91A_664Y_701}P -9.392 4.601 -8.47 { ca ser A 702 1o91A_664Y_701}P -12.493 2.286 -2.445 { ca ala A 703 1o91A_664Y_701}P -15.332 0.829 -0.427 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 664 1o91A_664Y_701}P -8.911 -1.141 -6.611 {"}P -8.911 -1.141 -6.611 { cd1 tyr A 664 1o91A_664Y_701}P -10.503 0.108 -8.137 { cd2 tyr A 664 1o91A_664Y_701}P -11.355 -0.752 -6.068 { ce1 tyr A 664 1o91A_664Y_701}P -11.771 0.624 -8.448 { ce2 tyr A 664 1o91A_664Y_701}P -12.62 -0.243 -6.367 { oh tyr A 664 1o91A_664Y_701}P -14.068 0.938 -7.859 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 664 1o91A_664Y_701}P -7.973 -0.155 -5.898 { cb tyr A 664 1o91A_664Y_701}-8.911 -1.141 -6.611 { cg tyr A 664 1o91A_664Y_701}-10.281 -0.585 -6.947 { cd1 tyr A 664 1o91A_664Y_701}-10.503 0.108 -8.137 { ce1 tyr A 664 1o91A_664Y_701}-11.771 0.624 -8.448 { cz tyr A 664 1o91A_664Y_701}-12.819 0.442 -7.558 { oh tyr A 664 1o91A_664Y_701}-14.068 0.938 -7.859 { cg tyr A 664 1o91A_664Y_701}P -10.281 -0.585 -6.947 { cd2 tyr A 664 1o91A_664Y_701}-11.355 -0.752 -6.068 { ce2 tyr A 664 1o91A_664Y_701}-12.62 -0.243 -6.367 { cz tyr A 664 1o91A_664Y_701}ghost -12.819 0.442 -7.558 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 664 1o91A_664Y_701}P -8.911 -1.141 -6.611 {"}P -8.911 -1.141 -6.611 { cd1 tyr A 664 1o91A_664Y_701}P -10.503 0.108 -8.137 { cd2 tyr A 664 1o91A_664Y_701}P -11.355 -0.752 -6.068 { ce1 tyr A 664 1o91A_664Y_701}P -11.771 0.624 -8.448 { ce2 tyr A 664 1o91A_664Y_701}P -12.62 -0.243 -6.367 { oh tyr A 664 1o91A_664Y_701}P -14.068 0.938 -7.859 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 664 A}'P' blue -12.469 2.162 -7.991 {"}'P' blue -12.223 2.251 -7.987 {"}'P' sky -12.034 2.202 -7.739 { CE2 TYR 664 A}'P' sky -12.816 1.433 -5.904 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 664 A}'P' sea -12.282 2.141 -7.742 {"}'P' sea -11.964 2.088 -7.508 { CE2 TYR 664 A}'P' sea -12.498 1.49 -6.16 { CZ TYR 664 A}'P' green -12.949 2.186 -7.613 {"}'P' green -12.689 2.186 -7.613 {"}'P' green -12.004 1.922 -7.104 {"}'P' green -12.258 1.641 -6.413 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ TYR 664 A}'P' P -13.215 2.134 -7.353 {"}'P' -13.212 2.119 -7.355 {"}'P' P -12.958 2.174 -7.351 {"}'P' -12.952 2.098 -7.361 {"}'P' P -12.697 2.175 -7.351 {"}'P' -12.704 2.078 -7.363 {"}'P' P -12.439 2.138 -7.353 {"}'P' -12.455 2.068 -7.362 {"}'P' P -12.189 2.062 -7.356 {"}'P' -12.192 2.056 -7.357 {"}'P' P -13.271 2.069 -7.097 {"}'P' -13.257 2.018 -7.112 {"}'P' P -13.015 2.118 -7.095 {"}'P' -13 1.989 -7.131 {"}'P' P -12.754 2.128 -7.095 {"}'P' -12.76 1.964 -7.14 {"}'P' P -12.494 2.098 -7.096 {"}'P' -12.522 1.955 -7.136 {"}'P' P -12.242 2.029 -7.099 {"}'P' -12.27 1.954 -7.121 {"}'P' P -13.33 1.959 -6.852 {"}'P' -13.318 1.922 -6.869 {"}'P' P -13.082 2.02 -6.849 {"}'P' -13.062 1.899 -6.904 {"}'P' P -12.827 2.042 -6.848 {"}'P' -12.826 1.871 -6.924 {"}'P' P -12.572 2.023 -6.849 {"}'P' -12.598 1.858 -6.923 {"}'P' P -12.323 1.964 -6.852 {"}'P' -12.358 1.857 -6.901 {"}'P' P -12.087 1.868 -6.856 {"}'P' -12.098 1.845 -6.867 {"}'P' P -13.263 1.852 -6.621 {"}'P' -13.254 1.824 -6.639 {"}'P' P -13.012 1.906 -6.618 {"}'P' -12.999 1.809 -6.681 {"}'P' P -12.755 1.917 -6.618 {"}'P' -12.76 1.789 -6.699 {"}'P' P -12.5 1.884 -6.619 {"}'P' -12.523 1.778 -6.688 {"}'P' P -12.254 1.809 -6.622 {"}'P' -12.272 1.764 -6.653 {"}'P' P -13.022 1.746 -6.409 {"}'P' -13.018 1.722 -6.43 {"}'P' P -12.762 1.76 -6.408 {"}'P' -12.764 1.711 -6.451 {"}'P' P -12.504 1.725 -6.41 {"}'P' -12.512 1.693 -6.439 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 664 A}'P' sky -13.454 2.183 -7.675 {"}'P' sky -13.751 2.229 -7.419 {"}'P' sky -13.886 2.15 -7.181 { HH TYR 664 A}'P' blue -13.991 2.088 -6.982 {"}'P' blue -14.037 2.064 -6.724 {"}'P' sky -13.837 1.911 -6.731 {"}'P' blue -13.987 1.9 -6.49 {"}'P' blue -13.809 1.712 -6.498 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 664 A}'P' sea -13.509 2.145 -7.423 {"}'P' sea -13.64 2.088 -7.184 {"}'P' sea -13.625 1.926 -6.971 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 701 A}'P' blue -13.546 2.545 -7.328 {"}'P' sky -13.695 2.289 -6.87 {"}'P' sky -13.674 2.176 -6.614 {"}'P' blue -13.558 2.051 -6.359 {"}'P' blue -12.793 1.841 -5.899 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 701 A}'P' sea -12.112 2.35 -7.522 {"}'P' green -13.036 2.188 -7.529 {"}'P' sea -13.436 2.31 -7.339 {"}'P' sea -13.604 2.312 -7.117 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 701 A}'P' P -12.544 2.101 -7.533 {"}'P' -12.548 2.121 -7.506 {"}'P' P -12.798 2.101 -7.533 {"}'P' -12.793 2.127 -7.497 {"}'P' P -12.283 1.983 -7.353 {"}'P' -12.301 2.019 -7.318 {"}'P' P -12.533 1.907 -7.356 {"}'P' -12.547 1.998 -7.276 {"}'P' P -12.793 1.905 -7.356 {"}'P' -12.779 2.007 -7.267 {"}'P' P -13.043 1.976 -7.353 {"}'P' -13.014 2.04 -7.292 {"}'P' P -13.264 2.115 -7.347 {"}'P' -13.262 2.117 -7.345 {"}'P' P -12.072 1.934 -7.133 {"}'P' -12.079 1.944 -7.127 {"}'P' P -12.297 1.816 -7.138 {"}'P' -12.333 1.907 -7.086 {"}'P' P -12.544 1.756 -7.141 {"}'P' -12.563 1.906 -7.059 {"}'P' P -12.798 1.756 -7.141 {"}'P' -12.778 1.918 -7.053 {"}'P' P -13.045 1.816 -7.138 {"}'P' -12.998 1.938 -7.069 {"}'P' P -13.27 1.934 -7.133 {"}'P' -13.236 1.983 -7.102 {"}'P' P -12.169 1.767 -6.893 {"}'P' -12.197 1.824 -6.876 {"}'P' P -12.409 1.681 -6.897 {"}'P' -12.441 1.816 -6.859 {"}'P' P -12.663 1.651 -6.898 {"}'P' -12.664 1.826 -6.85 {"}'P' P -12.917 1.678 -6.897 {"}'P' -12.881 1.84 -6.851 {"}'P' P -13.159 1.76 -6.893 {"}'P' -13.11 1.862 -6.862 {"}'P' P -13.376 1.894 -6.887 {"}'P' -13.359 1.916 -6.88 {"}'P' P -12.123 1.746 -6.633 {"}'P' -12.124 1.749 -6.633 {"}'P' P -12.358 1.653 -6.637 {"}'P' -12.379 1.73 -6.634 {"}'P' P -12.608 1.612 -6.639 {"}'P' -12.614 1.735 -6.634 {"}'P' P -12.86 1.626 -6.638 {"}'P' -12.84 1.749 -6.633 {"}'P' P -13.104 1.693 -6.635 {"}'P' -13.073 1.772 -6.632 {"}'P' P -13.328 1.812 -6.63 {"}'P' -13.322 1.82 -6.63 {"}'P' P -12.409 1.658 -6.376 {"}'P' -12.41 1.661 -6.377 {"}'P' P -12.663 1.628 -6.378 {"}'P' -12.663 1.662 -6.384 {"}'P' P -12.917 1.655 -6.376 {"}'P' -12.911 1.681 -6.381 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 664 A}'M' green -9.457 2.683 -7.138 {"}'M' green -9.319 2.899 -7.129 {"}'M' green -9.626 2.319 -6.9 {"}'M' green -9.096 3.174 -6.863 {"}'M' green -9.628 2.299 -6.642 {"}'M' green -9.596 2.168 -6.394 {"}'M' green -8.929 3.205 -6.348 {"}'M' green -9.029 3.015 -6.116 {"}'M' green -9.189 2.634 -5.912 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 664 A}'M' greentint -9.556 2.566 -6.889 {"}'M' greentint -9.441 2.796 -6.879 {"}'M' greentint -9.286 3.001 -6.87 {"}'M' greentint -9.559 2.547 -6.631 {"}'M' greentint -9.446 2.778 -6.621 {"}'M' greentint -9.292 2.984 -6.612 {"}'M' greentint -9.103 3.158 -6.605 {"}'M' greentint -9.548 2.419 -6.383 {"}'M' greentint -9.453 2.657 -6.372 {"}'M' greentint -9.314 2.872 -6.363 {"}'M' greentint -9.138 3.057 -6.355 {"}'M' greentint -9.454 2.397 -6.143 {"}'M' greentint -9.356 2.63 -6.132 {"}'M' greentint -9.212 2.839 -6.123 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 701 A}'M' green -9.325 2.988 -7.086 {"}'M' green -9.461 2.767 -7.095 {"}'M' green -9.66 2.431 -6.903 {"}'M' green -9.118 3.242 -6.867 {"}'M' green -9.018 3.223 -6.627 {"}'M' green -9.667 2.264 -6.409 {"}'M' green -8.984 3.22 -6.368 {"}'M' green -9.501 2.365 -6.146 {"}'M' green -9.264 2.71 -5.889 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 701 A}'M' greentint -9.154 2.987 -6.878 {"}'M' greentint -9.264 2.753 -6.889 {"}'M' greentint -9.438 2.563 -6.897 {"}'M' greentint -9.051 2.974 -6.637 {"}'M' greentint -9.147 2.741 -6.648 {"}'M' greentint -9.301 2.541 -6.656 {"}'M' greentint -9.501 2.388 -6.663 {"}'M' greentint -9.013 2.971 -6.379 {"}'M' greentint -9.104 2.738 -6.389 {"}'M' greentint -9.25 2.534 -6.398 {"}'M' greentint -9.441 2.373 -6.405 {"}'M' greentint -9.051 2.951 -6.12 {"}'M' greentint -9.147 2.718 -6.13 {"}'M' greentint -9.301 2.518 -6.139 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 664 A}'M' greentint -9.932 1.515 -5.231 {"}'M' greentint -9.788 1.729 -5.222 {"}'M' greentint -9.588 1.892 -5.215 {"}'M' greentint -10.081 1.386 -4.996 {"}'M' greentint -9.985 1.619 -4.986 {"}'M' greentint -9.831 1.819 -4.977 {"}'M' greentint -9.631 1.972 -4.97 {"}'M' greentint -9.398 2.068 -4.966 {"}'M' greentint -10.141 1.242 -4.743 {"}'M' greentint -10.081 1.485 -4.732 {"}'M' greentint -9.962 1.706 -4.723 {"}'M' greentint -9.792 1.89 -4.715 {"}'M' greentint -9.581 2.026 -4.709 {"}'M' greentint -9.343 2.105 -4.705 {"}'M' greentint -10.114 1.114 -4.489 {"}'M' greentint -10.081 1.363 -4.479 {"}'M' greentint -9.985 1.596 -4.468 {"}'M' greentint -9.831 1.796 -4.46 {"}'M' greentint -9.631 1.949 -4.453 {"}'M' greentint -9.398 2.046 -4.449 {"}'M' greentint -10.006 1.224 -4.243 {"}'M' greentint -9.932 1.471 -4.232 {"}'M' greentint -9.788 1.686 -4.223 {"}'M' greentint -9.588 1.848 -4.216 {"}'M' greentint -9.349 1.945 -4.212 {"}'M' greentint -9.749 1.466 -4.025 {"}'M' greentint -9.574 1.658 -4.017 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 701 A}'M' greentint -9.712 1.688 -5.312 {"}'M' greentint -9.421 1.895 -5.083 {"}'M' greentint -9.544 1.674 -5.093 {"}'M' greentint -9.71 1.482 -5.101 {"}'M' greentint -9.91 1.327 -5.108 {"}'M' greentint -9.32 1.886 -4.842 {"}'M' greentint -9.436 1.658 -4.852 {"}'M' greentint -9.593 1.456 -4.861 {"}'M' greentint -9.785 1.288 -4.868 {"}'M' greentint -10.006 1.158 -4.874 {"}'M' greentint -9.273 1.865 -4.589 {"}'M' greentint -9.388 1.634 -4.599 {"}'M' greentint -9.543 1.429 -4.608 {"}'M' greentint -9.733 1.256 -4.616 {"}'M' greentint -9.952 1.121 -4.621 {"}'M' greentint -9.27 1.861 -4.331 {"}'M' greentint -9.383 1.63 -4.341 {"}'M' greentint -9.537 1.424 -4.35 {"}'M' greentint -9.726 1.25 -4.357 {"}'M' greentint -9.944 1.113 -4.363 {"}'M' greentint -9.323 1.845 -4.077 {"}'M' greentint -9.44 1.618 -4.087 {"}'M' greentint -9.598 1.417 -4.096 {"}'M' greentint -9.792 1.249 -4.103 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n leu A 259 1oygA_261F_314}P -12.314 -2.324 -0.098 {"}-12.314 -2.324 -0.098 { ca leu A 259 1oygA_261F_314}-11.021 -2.307 -0.776 { c leu A 259 1oygA_261F_314}-10.9 -0.995 -1.524 { o leu A 259 1oygA_261F_314}-11.827 -0.592 -2.214 { c leu A 259 1oygA_261F_314}P -10.9 -0.995 -1.524 { n val A 260 1oygA_261F_314}-9.761 -0.329 -1.37 { ca val A 260 1oygA_261F_314}-9.39 0.788 -2.227 { c val A 260 1oygA_261F_314}-8.22 0.299 -3.082 { o val A 260 1oygA_261F_314}-7.335 -0.384 -2.589 { c val A 260 1oygA_261F_314}P -8.22 0.299 -3.082 { n phe A 261 1oygA_261F_314}-8.222 0.63 -4.365 { ca phe A 261 1oygA_261F_314}-7.33 -0.025 -5.309 { c phe A 261 1oygA_261F_314}-6.951 0.894 -6.458 { o phe A 261 1oygA_261F_314}-7.61 1.899 -6.708 { c phe A 261 1oygA_261F_314}P -6.951 0.894 -6.458 { n glu A 262 1oygA_261F_314}-5.875 0.547 -7.148 { ca glu A 262 1oygA_261F_314}-5.535 1.205 -8.402 { c glu A 262 1oygA_261F_314}-6.46 0.742 -9.521 { o glu A 262 1oygA_261F_314}-6.685 -0.452 -9.704 { c glu A 262 1oygA_261F_314}P -6.46 0.742 -9.521 { n ala A 263 1oygA_261F_314}-6.946 1.693 -10.302 { ca ala A 263 1oygA_261F_314}-7.817 1.39 -11.425 { c ala A 263 1oygA_261F_314}-7.715 2.471 -12.486 { o ala A 263 1oygA_261F_314}-6.821 3.321 -12.45 { n ala A 312 1oygA_261F_314}P -7.256 6.099 -11.593 {"}-7.256 6.099 -11.593 { ca ala A 312 1oygA_261F_314}-8.218 6.301 -10.516 { c ala A 312 1oygA_261F_314}-7.829 5.466 -9.308 { o ala A 312 1oygA_261F_314}-7.238 4.399 -9.454 { c ala A 312 1oygA_261F_314}P -7.829 5.466 -9.308 { n leu A 313 1oygA_261F_314}-8.131 5.972 -8.118 { ca leu A 313 1oygA_261F_314}-8.134 5.145 -6.919 { c leu A 313 1oygA_261F_314}-9.586 4.76 -6.676 { o leu A 313 1oygA_261F_314}-10.417 5.599 -6.315 { c leu A 313 1oygA_261F_314}P -9.586 4.76 -6.676 { n gly A 314 1oygA_261F_314}-9.898 3.499 -6.959 { ca gly A 314 1oygA_261F_314}-11.249 2.98 -6.857 { c gly A 314 1oygA_261F_314}-11.597 2.469 -5.479 { o gly A 314 1oygA_261F_314}-10.73 2.322 -4.631 { c gly A 314 1oygA_261F_314}P -11.597 2.469 -5.479 { n met A 315 1oygA_261F_314}-12.879 2.204 -5.264 { ca met A 315 1oygA_261F_314}-13.373 1.668 -4.004 { c met A 315 1oygA_261F_314}-14.531 0.711 -4.261 { o met A 315 1oygA_261F_314}-15.39 0.974 -5.096 { c met A 315 1oygA_261F_314}P -14.531 0.711 -4.261 { n ile A 316 1oygA_261F_314}-14.527 -0.407 -3.542 { ca ile A 316 1oygA_261F_314}-15.682 -1.294 -3.453 { c ile A 316 1oygA_261F_314}-15.926 -1.64 -1.989 { o ile A 316 1oygA_261F_314}-14.996 -1.627 -1.18 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n leu A 259 1oygA_261F_314}P -12.314 -2.324 -0.098 { ca leu A 259 1oygA_261F_314}P -11.021 -2.307 -0.776 { n val A 260 1oygA_261F_314}P -9.761 -0.329 -1.37 { ca val A 260 1oygA_261F_314}P -9.39 0.788 -2.227 { n phe A 261 1oygA_261F_314}P -8.222 0.63 -4.365 { ca phe A 261 1oygA_261F_314}P -7.33 -0.025 -5.309 { n glu A 262 1oygA_261F_314}P -5.875 0.547 -7.148 { ca glu A 262 1oygA_261F_314}P -5.535 1.205 -8.402 { n ala A 263 1oygA_261F_314}P -6.946 1.693 -10.302 { ca ala A 263 1oygA_261F_314}P -7.817 1.39 -11.425 { n ala A 312 1oygA_261F_314}P -7.256 6.099 -11.593 { ca ala A 312 1oygA_261F_314}P -8.218 6.301 -10.516 { n leu A 313 1oygA_261F_314}P -8.131 5.972 -8.118 { ca leu A 313 1oygA_261F_314}P -8.134 5.145 -6.919 { n gly A 314 1oygA_261F_314}P -9.898 3.499 -6.959 { ca gly A 314 1oygA_261F_314}P -11.249 2.98 -6.857 {"}P -11.249 2.98 -6.857 { n met A 315 1oygA_261F_314}P -12.879 2.204 -5.264 { ca met A 315 1oygA_261F_314}P -13.373 1.668 -4.004 { n ile A 316 1oygA_261F_314}P -14.527 -0.407 -3.542 { ca ile A 316 1oygA_261F_314}P -15.682 -1.294 -3.453 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca leu A 259 1oygA_261F_314}P -11.021 -2.307 -0.776 {"}-11.021 -2.307 -0.776 { ca val A 260 1oygA_261F_314}-9.39 0.788 -2.227 { ca phe A 261 1oygA_261F_314}-7.33 -0.025 -5.309 { ca glu A 262 1oygA_261F_314}-5.535 1.205 -8.402 { ca ala A 263 1oygA_261F_314}-7.817 1.39 -11.425 { ca ala A 312 1oygA_261F_314}P -8.218 6.301 -10.516 {"}-8.218 6.301 -10.516 { ca leu A 313 1oygA_261F_314}-8.134 5.145 -6.919 { ca gly A 314 1oygA_261F_314}-11.249 2.98 -6.857 { ca met A 315 1oygA_261F_314}-13.373 1.668 -4.004 { ca ile A 316 1oygA_261F_314}-15.682 -1.294 -3.453 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca leu A 259 1oygA_261F_314}P -11.021 -2.307 -0.776 { ca val A 260 1oygA_261F_314}P -9.39 0.788 -2.227 { ca phe A 261 1oygA_261F_314}P -7.33 -0.025 -5.309 { cb phe A 261 1oygA_261F_314}-7.991 -1.302 -5.859 { cg phe A 261 1oygA_261F_314}-9.388 -1.094 -6.386 { cd1 phe A 261 1oygA_261F_314}-9.607 -0.813 -7.729 { ce1 phe A 261 1oygA_261F_314}-10.895 -0.623 -8.213 { cz phe A 261 1oygA_261F_314}-11.975 -0.706 -7.354 { cg phe A 261 1oygA_261F_314}P -9.388 -1.094 -6.386 { cd2 phe A 261 1oygA_261F_314}-10.482 -1.181 -5.541 { ce2 phe A 261 1oygA_261F_314}-11.767 -0.986 -6.021 { cz phe A 261 1oygA_261F_314}ghost -11.975 -0.706 -7.354 { ca glu A 262 1oygA_261F_314}P -5.535 1.205 -8.402 { ca ala A 263 1oygA_261F_314}P -7.817 1.39 -11.425 { ca ala A 312 1oygA_261F_314}P -8.218 6.301 -10.516 { ca leu A 313 1oygA_261F_314}P -8.134 5.145 -6.919 { ca met A 315 1oygA_261F_314}P -13.373 1.668 -4.004 { ca ile A 316 1oygA_261F_314}P -15.682 -1.294 -3.453 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 261 1oygA_261F_314}P -7.991 -1.302 -5.859 {"}P -7.991 -1.302 -5.859 { cd1 phe A 261 1oygA_261F_314}P -9.607 -0.813 -7.729 { cd2 phe A 261 1oygA_261F_314}P -10.482 -1.181 -5.541 { ce1 phe A 261 1oygA_261F_314}P -10.895 -0.623 -8.213 { ce2 phe A 261 1oygA_261F_314}P -11.767 -0.986 -6.021 { cz phe A 261 1oygA_261F_314}P -11.975 -0.706 -7.354 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 261 1oygA_261F_314}P -7.33 -0.025 -5.309 { cb phe A 261 1oygA_261F_314}-7.991 -1.302 -5.859 { cg phe A 261 1oygA_261F_314}-9.388 -1.094 -6.386 { cd1 phe A 261 1oygA_261F_314}-9.607 -0.813 -7.729 { ce1 phe A 261 1oygA_261F_314}-10.895 -0.623 -8.213 { cz phe A 261 1oygA_261F_314}-11.975 -0.706 -7.354 { cg phe A 261 1oygA_261F_314}P -9.388 -1.094 -6.386 { cd2 phe A 261 1oygA_261F_314}-10.482 -1.181 -5.541 { ce2 phe A 261 1oygA_261F_314}-11.767 -0.986 -6.021 { cz phe A 261 1oygA_261F_314}ghost -11.975 -0.706 -7.354 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 261 1oygA_261F_314}P -7.991 -1.302 -5.859 {"}P -7.991 -1.302 -5.859 { cd1 phe A 261 1oygA_261F_314}P -9.607 -0.813 -7.729 { cd2 phe A 261 1oygA_261F_314}P -10.482 -1.181 -5.541 { ce1 phe A 261 1oygA_261F_314}P -10.895 -0.623 -8.213 { ce2 phe A 261 1oygA_261F_314}P -11.767 -0.986 -6.021 { cz phe A 261 1oygA_261F_314}P -11.975 -0.706 -7.354 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 261 A}'P' sky -11.355 1.035 -8.53 {"}'P' sky -11.099 1.086 -8.528 {"}'P' blue -10.838 1.098 -8.528 {"}'P' sky -11.768 0.893 -8.278 {"}'P' sky -10.515 1.073 -8.008 {"}'P' sky -10.831 0.852 -7.273 { CZ PHE 261 A}'P' blue -11.919 0.845 -8.162 {"}'P' blue -12.23 0.929 -7.923 {"}'P' blue -12.363 0.999 -7.41 {"}'P' sky -12.114 1.026 -7.147 {"}'P' sky -11.11 0.802 -7.157 {"}'P' sky -11.91 0.98 -6.891 {"}'P' sky -11.65 0.95 -6.892 {"}'P' sky -11.398 0.881 -6.895 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 261 A}'P' sea -11.533 1.006 -8.273 {"}'P' green -11.283 1.082 -8.269 {"}'P' green -11.025 1.121 -8.268 {"}'P' sea -10.765 1.121 -8.268 {"}'P' green -11.54 0.991 -8.012 {"}'P' green -11.291 1.069 -8.008 {"}'P' green -11.034 1.109 -8.006 {"}'P' green -10.773 1.11 -8.006 {"}'P' green -11.347 1.004 -7.752 {"}'P' green -10.83 1.063 -7.75 {"}'P' sea -10.57 1.033 -7.751 {"}'P' green -11.158 0.955 -7.504 {"}'P' green -10.903 0.977 -7.503 {"}'P' sea -10.648 0.958 -7.504 {"}'P' sea -11.088 0.841 -7.273 { CZ PHE 261 A}'P' sea -11.975 0.949 -7.922 {"}'P' sea -11.72 0.929 -7.923 {"}'P' sea -12.179 1.003 -7.669 {"}'P' green -11.918 1.015 -7.669 {"}'P' green -11.658 0.986 -7.67 {"}'P' sea -12.105 1.038 -7.409 {"}'P' green -11.845 1.038 -7.409 {"}'P' green -11.587 0.999 -7.41 {"}'P' green -11.337 0.923 -7.414 {"}'P' green -11.853 1.027 -7.147 {"}'P' green -11.595 0.99 -7.149 {"}'P' sea -11.345 0.914 -7.152 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 PHE 261 A}'P' P -11.091 1.053 -7.75 {"}'P' -11.09 1.048 -7.752 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 314 A}'P' sky -11.496 1.29 -8.352 {"}'P' sky -11.748 1.201 -8.134 {"}'P' sky -12.079 1.279 -7.883 {"}'P' sky -10.617 1.273 -7.623 {"}'P' sky -12.223 1.36 -7.619 {"}'P' sky -10.656 1.267 -7.363 {"}'P' sky -11 1.157 -7.12 {"}'P' blue -11.236 1.229 -6.895 {"}'P' sky -11.496 1.226 -6.895 {"}'P' sky -11.746 1.297 -6.892 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 314 A}'P' sea -10.986 1.368 -8.349 {"}'P' sea -11.236 1.292 -8.352 {"}'P' sea -10.775 1.319 -8.129 {"}'P' green -11 1.201 -8.134 {"}'P' green -11.247 1.141 -8.137 {"}'P' green -11.501 1.141 -8.137 {"}'P' sea -10.656 1.289 -7.883 {"}'P' green -10.872 1.152 -7.889 {"}'P' green -11.366 1.036 -7.894 {"}'P' green -11.62 1.063 -7.893 {"}'P' sea -11.862 1.145 -7.889 {"}'P' green -10.826 1.131 -7.629 {"}'P' green -11.061 1.038 -7.633 {"}'P' green -11.311 0.997 -7.635 {"}'P' green -11.563 1.011 -7.634 {"}'P' green -11.807 1.078 -7.631 {"}'P' sea -12.031 1.197 -7.626 {"}'P' sea -10.872 1.129 -7.369 {"}'P' green -11.112 1.043 -7.372 {"}'P' green -11.366 1.013 -7.374 {"}'P' green -11.62 1.04 -7.372 {"}'P' green -11.862 1.122 -7.369 {"}'P' sea -12.079 1.257 -7.363 {"}'P' sea -11.247 1.096 -7.122 {"}'P' green -11.501 1.096 -7.122 {"}'P' green -11.748 1.157 -7.12 {"}'P' sea -11.973 1.275 -7.115 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 314 A}'P' P -11.112 1.066 -7.893 {"}'P' -11.114 1.074 -7.89 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 261 A}'M' greentint -8.721 2.057 -7.546 {"}'M' greentint -8.663 2.31 -7.535 {"}'M' greentint -8.548 2.542 -7.524 {"}'M' greentint -8.383 2.742 -7.516 {"}'M' greentint -8.857 2.053 -7.326 {"}'M' greentint -8.806 2.301 -7.315 {"}'M' greentint -8.706 2.534 -7.305 {"}'M' greentint -8.561 2.742 -7.296 {"}'M' greentint -8.377 2.916 -7.288 {"}'M' greentint -8.951 2.035 -7.086 {"}'M' greentint -8.904 2.287 -7.075 {"}'M' greentint -8.811 2.525 -7.064 {"}'M' greentint -8.673 2.741 -7.055 {"}'M' greentint -8.498 2.927 -7.047 {"}'M' greentint -8.29 3.077 -7.04 {"}'M' greentint -8.98 2.161 -6.826 {"}'M' greentint -8.91 2.408 -6.815 {"}'M' greentint -8.795 2.638 -6.805 {"}'M' greentint -8.64 2.843 -6.796 {"}'M' greentint -8.45 3.016 -6.789 {"}'M' greentint -8.913 2.389 -6.557 {"}'M' greentint -8.8 2.62 -6.547 {"}'M' greentint -8.646 2.826 -6.538 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 314 A}'M' greentint -8.294 2.584 -7.53 {"}'M' greentint -8.39 2.351 -7.541 {"}'M' greentint -8.544 2.151 -7.549 {"}'M' greentint -8.261 2.833 -7.52 {"}'M' greentint -8.256 2.581 -7.272 {"}'M' greentint -8.347 2.348 -7.282 {"}'M' greentint -8.493 2.144 -7.291 {"}'M' greentint -8.684 1.983 -7.298 {"}'M' greentint -8.227 2.83 -7.261 {"}'M' greentint -8.294 2.561 -7.013 {"}'M' greentint -8.39 2.328 -7.023 {"}'M' greentint -8.544 2.128 -7.032 {"}'M' greentint -8.744 1.975 -7.039 {"}'M' greentint -8.294 3.06 -6.992 {"}'M' greentint -8.261 2.811 -7.002 {"}'M' greentint -8.397 2.553 -6.772 {"}'M' greentint -8.507 2.32 -6.782 {"}'M' greentint -8.681 2.129 -6.791 {"}'M' greentint -8.903 1.998 -6.797 {"}'M' greentint -8.361 2.808 -6.761 {"}'M' greentint -8.568 2.536 -6.566 {"}'M' greentint -8.704 2.315 -6.575 {"}'M' greentint -8.912 2.159 -6.582 {"}'M' greentint -8.52 2.791 -6.555 {"}'M' greentint -8.79 2.542 -6.406 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 261 A}'M' green -9.672 1.473 -5.259 {"}'M' green -9.598 1.72 -5.248 {"}'M' green -9.454 1.934 -5.239 {"}'M' green -9.78 1.341 -5.024 {"}'M' green -9.297 2.177 -4.987 {"}'M' green -9.805 1.197 -4.771 {"}'M' green -9.247 2.231 -4.726 {"}'M' green -9.297 2.154 -4.47 {"}'M' green -9.672 1.429 -4.26 {"}'M' green -9.454 1.891 -4.24 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 261 A}'M' greentint -9.747 1.591 -5.013 {"}'M' greentint -9.651 1.824 -5.003 {"}'M' greentint -9.497 2.024 -4.994 {"}'M' greentint -9.807 1.447 -4.76 {"}'M' greentint -9.747 1.69 -4.749 {"}'M' greentint -9.628 1.911 -4.74 {"}'M' greentint -9.458 2.095 -4.732 {"}'M' greentint -9.78 1.319 -4.506 {"}'M' greentint -9.747 1.568 -4.496 {"}'M' greentint -9.651 1.801 -4.485 {"}'M' greentint -9.497 2.001 -4.477 {"}'M' greentint -9.598 1.676 -4.249 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 314 A}'M' green -9.502 2.097 -5.265 {"}'M' green -9.578 1.855 -5.276 {"}'M' green -9.701 1.634 -5.286 {"}'M' green -9.89 1.216 -4.809 {"}'M' green -9.336 2.328 -4.76 {"}'M' green -9.883 1.21 -4.55 {"}'M' sea -9.336 2.325 -4.502 {"}'M' green -9.408 2.051 -4.259 {"}'M' green -9.755 1.377 -4.289 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 314 A}'M' greentint -9.406 2.092 -5.025 {"}'M' greentint -9.477 1.846 -5.035 {"}'M' greentint -9.593 1.618 -5.045 {"}'M' greentint -9.75 1.416 -5.054 {"}'M' greentint -9.36 2.072 -4.771 {"}'M' greentint -9.43 1.825 -4.782 {"}'M' greentint -9.545 1.594 -4.792 {"}'M' greentint -9.7 1.389 -4.801 {"}'M' greentint -9.358 2.069 -4.513 {"}'M' greentint -9.427 1.821 -4.524 {"}'M' greentint -9.54 1.59 -4.534 {"}'M' greentint -9.694 1.384 -4.543 {"}'M' greentint -9.48 1.805 -4.27 {"}'M' greentint -9.597 1.578 -4.28 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n thr B 200 1pbyB_202F_220}P -12.066 -2.353 0.237 {"}-12.066 -2.353 0.237 { ca thr B 200 1pbyB_202F_220}-10.654 -2.14 -0.048 { c thr B 200 1pbyB_202F_220}-10.482 -1.154 -1.198 { o thr B 200 1pbyB_202F_220}-11.28 -1.113 -2.127 { c thr B 200 1pbyB_202F_220}P -10.482 -1.154 -1.198 { n pro B 201 1pbyB_202F_220}-9.452 -0.313 -1.122 { ca pro B 201 1pbyB_202F_220}-9.304 0.587 -2.226 { c pro B 201 1pbyB_202F_220}-8.668 -0.256 -3.339 { o pro B 201 1pbyB_202F_220}-8.157 -1.345 -3.078 { c pro B 201 1pbyB_202F_220}P -8.668 -0.256 -3.339 { n phe B 202 1pbyB_202F_220}-8.743 0.22 -4.57 { ca phe B 202 1pbyB_202F_220}-8.108 -0.475 -5.671 { c phe B 202 1pbyB_202F_220}-7.621 0.62 -6.601 { o phe B 202 1pbyB_202F_220}-8.112 1.757 -6.55 { c phe B 202 1pbyB_202F_220}P -7.621 0.62 -6.601 { n tyr B 203 1pbyB_202F_220}-6.636 0.297 -7.423 { ca tyr B 203 1pbyB_202F_220}-6.076 1.299 -8.306 { c tyr B 203 1pbyB_202F_220}-6.216 0.905 -9.764 { o tyr B 203 1pbyB_202F_220}-6.061 -0.255 -10.125 { c tyr B 203 1pbyB_202F_220}P -6.216 0.905 -9.764 { n thr B 204 1pbyB_202F_220}-6.527 1.89 -10.597 { ca thr B 204 1pbyB_202F_220}-6.741 1.629 -12.004 { c thr B 204 1pbyB_202F_220}-6.401 2.878 -12.823 { o thr B 204 1pbyB_202F_220}-5.792 3.819 -12.313 { n arg B 218 1pbyB_202F_220}P -6.595 6.495 -11.455 {"}-6.595 6.495 -11.455 { ca arg B 218 1pbyB_202F_220}-7.699 6.7 -10.533 { c arg B 218 1pbyB_202F_220}-7.707 5.713 -9.362 { o arg B 218 1pbyB_202F_220}-7.213 4.587 -9.469 { c arg B 218 1pbyB_202F_220}P -7.707 5.713 -9.362 { n thr B 219 1pbyB_202F_220}-8.284 6.163 -8.251 { ca thr B 219 1pbyB_202F_220}-8.423 5.359 -7.051 { c thr B 219 1pbyB_202F_220}-9.884 4.926 -6.963 { o thr B 219 1pbyB_202F_220}-10.791 5.756 -7.014 { c thr B 219 1pbyB_202F_220}P -9.884 4.926 -6.963 { n gly B 220 1pbyB_202F_220}-10.104 3.626 -6.84 { ca gly B 220 1pbyB_202F_220}-11.457 3.129 -6.741 { c gly B 220 1pbyB_202F_220}-11.68 2.503 -5.386 { o gly B 220 1pbyB_202F_220}-10.735 2.282 -4.628 { c gly B 220 1pbyB_202F_220}P -11.68 2.503 -5.386 {"}P -11.68 2.503 -5.386 { c aleu B 221 1pbyB_202F_220}P -14.124 0.364 -4.089 { c bleu B 221 1pbyB_202F_220}P -14.116 0.356 -4.106 { c aleu B 221 1pbyB_202F_220}P -14.124 0.364 -4.089 { c bleu B 221 1pbyB_202F_220}P -14.116 0.356 -4.106 { c aleu B 221 1pbyB_202F_220}P -14.124 0.364 -4.089 { n leu B 222 1pbyB_202F_220}-13.731 -0.765 -3.512 { ca leu B 222 1pbyB_202F_220}-14.46 -2.009 -3.705 { c leu B 222 1pbyB_202F_220}-15.183 -2.282 -2.389 { o leu B 222 1pbyB_202F_220}-14.564 -2.286 -1.332 { c bleu B 221 1pbyB_202F_220}P -14.116 0.356 -4.106 { n leu B 222 1pbyB_202F_220}-13.731 -0.765 -3.512 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n thr B 200 1pbyB_202F_220}P -12.066 -2.353 0.237 { ca thr B 200 1pbyB_202F_220}P -10.654 -2.14 -0.048 { ca pro B 201 1pbyB_202F_220}P -9.304 0.587 -2.226 { n phe B 202 1pbyB_202F_220}P -8.743 0.22 -4.57 { ca phe B 202 1pbyB_202F_220}P -8.108 -0.475 -5.671 { n tyr B 203 1pbyB_202F_220}P -6.636 0.297 -7.423 { ca tyr B 203 1pbyB_202F_220}P -6.076 1.299 -8.306 { n thr B 204 1pbyB_202F_220}P -6.527 1.89 -10.597 { ca thr B 204 1pbyB_202F_220}P -6.741 1.629 -12.004 { n arg B 218 1pbyB_202F_220}P -6.595 6.495 -11.455 { ca arg B 218 1pbyB_202F_220}P -7.699 6.7 -10.533 { n thr B 219 1pbyB_202F_220}P -8.284 6.163 -8.251 { ca thr B 219 1pbyB_202F_220}P -8.423 5.359 -7.051 { n gly B 220 1pbyB_202F_220}P -10.104 3.626 -6.84 { ca gly B 220 1pbyB_202F_220}P -11.457 3.129 -6.741 {"}P -11.457 3.129 -6.741 { n leu B 222 1pbyB_202F_220}P -13.731 -0.765 -3.512 { ca leu B 222 1pbyB_202F_220}P -14.46 -2.009 -3.705 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca thr B 200 1pbyB_202F_220}P -10.654 -2.14 -0.048 {"}-10.654 -2.14 -0.048 { ca pro B 201 1pbyB_202F_220}-9.304 0.587 -2.226 { ca phe B 202 1pbyB_202F_220}-8.108 -0.475 -5.671 { ca tyr B 203 1pbyB_202F_220}-6.076 1.299 -8.306 { ca thr B 204 1pbyB_202F_220}-6.741 1.629 -12.004 { ca arg B 218 1pbyB_202F_220}P -7.699 6.7 -10.533 {"}-7.699 6.7 -10.533 { ca thr B 219 1pbyB_202F_220}-8.423 5.359 -7.051 { ca gly B 220 1pbyB_202F_220}-11.457 3.129 -6.741 {"}P -11.457 3.129 -6.741 { ca leu B 222 1pbyB_202F_220}P -14.46 -2.009 -3.705 {"}P -14.46 -2.009 -3.705 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca thr B 200 1pbyB_202F_220}P -10.654 -2.14 -0.048 { ca pro B 201 1pbyB_202F_220}P -9.304 0.587 -2.226 { n pro B 201 1pbyB_202F_220}P -9.452 -0.313 -1.122 { ca phe B 202 1pbyB_202F_220}P -8.108 -0.475 -5.671 { cb phe B 202 1pbyB_202F_220}-9.069 -1.493 -6.361 { cg phe B 202 1pbyB_202F_220}-10.205 -0.872 -7.132 { cd1 phe B 202 1pbyB_202F_220}-10.018 -0.419 -8.436 { ce1 phe B 202 1pbyB_202F_220}-11.087 0.081 -9.182 { cz phe B 202 1pbyB_202F_220}-12.364 0.137 -8.617 { cg phe B 202 1pbyB_202F_220}P -10.205 -0.872 -7.132 { cd2 phe B 202 1pbyB_202F_220}-11.482 -0.807 -6.578 { ce2 phe B 202 1pbyB_202F_220}-12.56 -0.307 -7.311 { cz phe B 202 1pbyB_202F_220}ghost -12.364 0.137 -8.617 { ca tyr B 203 1pbyB_202F_220}P -6.076 1.299 -8.306 { ca thr B 204 1pbyB_202F_220}P -6.741 1.629 -12.004 { ca arg B 218 1pbyB_202F_220}P -7.699 6.7 -10.533 { ca thr B 219 1pbyB_202F_220}P -8.423 5.359 -7.051 { ca leu B 222 1pbyB_202F_220}P -14.46 -2.009 -3.705 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe B 202 1pbyB_202F_220}P -9.069 -1.493 -6.361 {"}P -9.069 -1.493 -6.361 { cd1 phe B 202 1pbyB_202F_220}P -10.018 -0.419 -8.436 { cd2 phe B 202 1pbyB_202F_220}P -11.482 -0.807 -6.578 { ce1 phe B 202 1pbyB_202F_220}P -11.087 0.081 -9.182 { ce2 phe B 202 1pbyB_202F_220}P -12.56 -0.307 -7.311 { cz phe B 202 1pbyB_202F_220}P -12.364 0.137 -8.617 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe B 202 1pbyB_202F_220}P -8.108 -0.475 -5.671 { cb phe B 202 1pbyB_202F_220}-9.069 -1.493 -6.361 { cg phe B 202 1pbyB_202F_220}-10.205 -0.872 -7.132 { cd1 phe B 202 1pbyB_202F_220}-10.018 -0.419 -8.436 { ce1 phe B 202 1pbyB_202F_220}-11.087 0.081 -9.182 { cz phe B 202 1pbyB_202F_220}-12.364 0.137 -8.617 { cg phe B 202 1pbyB_202F_220}P -10.205 -0.872 -7.132 { cd2 phe B 202 1pbyB_202F_220}-11.482 -0.807 -6.578 { ce2 phe B 202 1pbyB_202F_220}-12.56 -0.307 -7.311 { cz phe B 202 1pbyB_202F_220}ghost -12.364 0.137 -8.617 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe B 202 1pbyB_202F_220}P -9.069 -1.493 -6.361 {"}P -9.069 -1.493 -6.361 { cd1 phe B 202 1pbyB_202F_220}P -10.018 -0.419 -8.436 { cd2 phe B 202 1pbyB_202F_220}P -11.482 -0.807 -6.578 { ce1 phe B 202 1pbyB_202F_220}P -11.087 0.081 -9.182 { ce2 phe B 202 1pbyB_202F_220}P -12.56 -0.307 -7.311 { cz phe B 202 1pbyB_202F_220}P -12.364 0.137 -8.617 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 202 B}'P' sky -11.022 1.767 -8.719 {"}'P' sky -10.84 1.662 -8.473 {"}'P' sky -10.768 1.523 -8.243 {"}'P' sky -10.772 1.364 -8.034 {"}'P' sky -11.095 1.003 -7.694 { CE2 PHE 202 B}'P' sky -12.69 1.437 -7.366 {"}'P' sky -12.699 1.425 -7.104 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 202 B}'P' sea -11.539 1.708 -8.721 {"}'P' sea -11.283 1.757 -8.719 {"}'P' green -11.35 1.659 -8.473 {"}'P' green -11.095 1.681 -8.472 {"}'P' green -11.023 1.556 -8.242 {"}'P' green -11.03 1.399 -8.032 {"}'P' sea -11.023 1.212 -7.849 { CE2 PHE 202 B}'P' green -12.43 1.437 -7.366 {"}'P' green -11.687 1.209 -7.376 {"}'P' sea -11.472 1.062 -7.382 {"}'P' green -12.438 1.426 -7.104 {"}'P' green -12.18 1.389 -7.106 {"}'P' green -11.93 1.313 -7.109 {"}'P' green -11.695 1.201 -7.114 {"}'P' sea -11.478 1.056 -7.121 {"}'P' sea -11.983 1.28 -6.852 {"}'P' sea -11.745 1.173 -6.857 { CZ PHE 202 B}'P' green -12.242 1.87 -8.41 {"}'P' green -12.56 1.813 -8.154 {"}'P' green -12.627 1.715 -7.908 {"}'P' green -12.557 1.601 -7.677 {"}'P' green -11.363 1.235 -7.693 {"}'P' green -11.577 1.208 -7.478 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 PHE 202 B}'P' P -11.28 1.545 -8.242 {"}'P' -11.279 1.541 -8.244 { CE2 PHE 202 B}'P' P -12.172 1.398 -7.367 {"}'P' -12.176 1.381 -7.367 {"}'P' P -11.922 1.322 -7.371 {"}'P' -11.932 1.296 -7.37 { CZ PHE 202 B}'P' P -11.984 1.833 -8.412 {"}'P' -11.992 1.797 -8.416 {"}'P' P -11.734 1.757 -8.415 {"}'P' -11.749 1.72 -8.42 {"}'P' P -11.499 1.645 -8.42 {"}'P' -11.499 1.644 -8.42 {"}'P' P -12.299 1.823 -8.154 {"}'P' -12.301 1.773 -8.167 {"}'P' P -12.039 1.793 -8.155 {"}'P' -12.06 1.688 -8.184 {"}'P' P -11.787 1.724 -8.158 {"}'P' -11.828 1.613 -8.19 {"}'P' P -11.549 1.617 -8.163 {"}'P' -11.588 1.546 -8.185 {"}'P' P -12.372 1.737 -7.907 {"}'P' -12.372 1.68 -7.932 {"}'P' P -12.117 1.718 -7.908 {"}'P' -12.136 1.597 -7.962 {"}'P' P -11.868 1.659 -7.911 {"}'P' -11.913 1.521 -7.975 {"}'P' P -11.632 1.563 -7.915 {"}'P' -11.686 1.457 -7.967 {"}'P' P -11.413 1.431 -7.921 {"}'P' -11.443 1.39 -7.943 {"}'P' P -12.3 1.612 -7.677 {"}'P' -12.302 1.551 -7.715 {"}'P' P -12.045 1.579 -7.678 {"}'P' -12.068 1.474 -7.746 {"}'P' P -11.799 1.504 -7.681 {"}'P' -11.841 1.403 -7.751 {"}'P' P -11.569 1.388 -7.687 {"}'P' -11.604 1.333 -7.728 {"}'P' P -12.307 1.455 -7.467 {"}'P' -12.308 1.447 -7.475 {"}'P' P -12.049 1.42 -7.469 {"}'P' -12.06 1.377 -7.507 {"}'P' P -11.803 1.336 -7.472 {"}'P' -11.82 1.301 -7.506 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 220 B}'P' sky -11.383 2 -8.604 {"}'P' sky -11.085 1.96 -8.466 {"}'P' sky -10.87 1.934 -8.282 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 220 B}'P' green -11.279 1.798 -8.473 {"}'P' green -11.517 1.711 -8.477 {"}'P' green -11.039 1.736 -8.291 {"}'P' green -11.256 1.593 -8.297 {"}'P' green -12.409 1.92 -8.283 {"}'P' sea -10.855 1.713 -8.07 {"}'P' green -11.045 1.544 -8.077 {"}'P' sea -10.926 1.514 -7.831 {"}'P' green -11.142 1.377 -7.837 {"}'P' green -12.493 1.585 -7.567 {"}'P' sea -11.382 1.268 -7.32 {"}'P' green -11.636 1.238 -7.322 {"}'P' green -12.349 1.482 -7.311 {"}'P' sea -12.531 1.661 -7.303 {"}'P' sea -11.517 1.321 -7.07 {"}'P' green -11.771 1.321 -7.07 {"}'P' green -12.018 1.382 -7.068 {"}'P' green -12.243 1.5 -7.063 {"}'P' sea -12.433 1.669 -7.055 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 220 B}'P' P -11.771 1.711 -8.477 {"}'P' -11.767 1.729 -8.452 {"}'P' P -12.009 1.798 -8.473 {"}'P' -12.002 1.809 -8.455 {"}'P' P -11.506 1.517 -8.3 {"}'P' -11.511 1.552 -8.269 {"}'P' P -11.766 1.515 -8.3 {"}'P' -11.755 1.595 -8.23 {"}'P' P -12.016 1.586 -8.297 {"}'P' -11.98 1.664 -8.223 {"}'P' P -12.237 1.725 -8.291 {"}'P' -12.205 1.76 -8.251 {"}'P' P -11.27 1.426 -8.082 {"}'P' -11.271 1.428 -8.082 {"}'P' P -11.517 1.366 -8.085 {"}'P' -11.526 1.438 -8.046 {"}'P' P -11.771 1.366 -8.085 {"}'P' -11.756 1.491 -8.017 {"}'P' P -12.018 1.426 -8.082 {"}'P' -11.968 1.555 -8.009 {"}'P' P -12.243 1.544 -8.077 {"}'P' -12.182 1.63 -8.022 {"}'P' P -12.433 1.713 -8.07 {"}'P' -12.406 1.736 -8.051 {"}'P' P -11.382 1.291 -7.841 {"}'P' -11.388 1.313 -7.834 {"}'P' P -11.636 1.261 -7.842 {"}'P' -11.637 1.359 -7.815 {"}'P' P -11.89 1.288 -7.841 {"}'P' -11.86 1.421 -7.803 {"}'P' P -12.132 1.37 -7.837 {"}'P' -12.075 1.489 -7.802 {"}'P' P -12.349 1.504 -7.831 {"}'P' -12.297 1.57 -7.809 {"}'P' P -12.531 1.683 -7.823 {"}'P' -12.529 1.685 -7.823 {"}'P' P -11.581 1.222 -7.583 {"}'P' -11.582 1.251 -7.582 {"}'P' P -11.833 1.236 -7.582 {"}'P' -11.821 1.31 -7.579 {"}'P' P -12.077 1.303 -7.579 {"}'P' -12.047 1.379 -7.576 {"}'P' P -12.301 1.422 -7.574 {"}'P' -12.274 1.461 -7.573 {"}'P' P -11.89 1.265 -7.32 {"}'P' -11.886 1.285 -7.324 {"}'P' P -12.132 1.347 -7.317 {"}'P' -12.123 1.366 -7.321 @subgroup {1->2} dominant @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { O PHE 202 B}'M' P -9.142 2.701 -6.638 {"}'M' -9.133 2.692 -6.637 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 202 B}'M' greentint -9.165 2.168 -7.377 {"}'M' greentint -9.05 2.4 -7.366 {"}'M' greentint -8.885 2.6 -7.358 {"}'M' greentint -8.678 2.756 -7.351 {"}'M' greentint -9.308 2.159 -7.157 {"}'M' greentint -9.208 2.392 -7.147 {"}'M' greentint -9.063 2.6 -7.138 {"}'M' greentint -8.879 2.774 -7.13 {"}'M' greentint -8.664 2.908 -7.124 {"}'M' greentint -9.406 2.145 -6.917 {"}'M' greentint -9.313 2.383 -6.906 {"}'M' greentint -9.175 2.599 -6.897 {"}'M' greentint -9 2.785 -6.889 {"}'M' greentint -8.792 2.935 -6.882 {"}'M' greentint -8.56 3.042 -6.877 {"}'M' greentint -9.482 2.019 -6.668 {"}'M' greentint -9.412 2.266 -6.657 {"}'M' greentint -9.297 2.496 -6.647 {"}'M' greentint -8.952 2.874 -6.631 {"}'M' greentint -8.733 3.009 -6.625 {"}'M' greentint -8.493 3.102 -6.621 {"}'M' greentint -9.415 2.247 -6.399 {"}'M' greentint -9.302 2.478 -6.389 {"}'M' greentint -9.148 2.684 -6.38 {"}'M' greentint -8.959 2.858 -6.373 {"}'M' greentint -8.741 2.994 -6.367 {"}'M' greentint -9.309 2.357 -6.14 {"}'M' greentint -9.17 2.572 -6.131 {"}'M' greentint -8.994 2.757 -6.123 {"}'M' greentint -8.785 2.905 -6.116 @subgroup {2->1} dominant @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { H GLY 220 B}'M' P -8.655 2.248 -6.837 {"}'M' -8.66 2.253 -6.836 {"}'M' P -8.706 2.232 -6.578 {"}'M' -8.719 2.246 -6.583 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 220 B}'M' greentint -8.559 2.701 -7.317 {"}'M' greentint -8.669 2.467 -7.328 {"}'M' greentint -8.843 2.277 -7.336 {"}'M' greentint -9.065 2.145 -7.342 {"}'M' greentint -8.456 2.688 -7.076 {"}'M' greentint -8.552 2.455 -7.087 {"}'M' greentint -8.706 2.255 -7.095 {"}'M' greentint -8.906 2.102 -7.102 {"}'M' greentint -9.139 2.005 -7.106 {"}'M' greentint -8.423 2.937 -7.066 {"}'M' greentint -8.418 2.685 -6.818 {"}'M' greentint -8.509 2.452 -6.828 {"}'M' greentint -8.846 2.087 -6.844 {"}'M' greentint -9.072 1.978 -6.848 {"}'M' greentint -9.318 1.929 -6.851 {"}'M' greentint -8.389 2.934 -6.807 {"}'M' greentint -8.456 2.665 -6.559 {"}'M' greentint -8.552 2.432 -6.569 {"}'M' greentint -8.906 2.079 -6.585 {"}'M' greentint -9.139 1.983 -6.589 {"}'M' greentint -9.389 1.95 -6.591 {"}'M' greentint -8.423 2.915 -6.548 {"}'M' greentint -8.559 2.657 -6.318 {"}'M' greentint -8.669 2.424 -6.328 {"}'M' greentint -8.843 2.233 -6.337 {"}'M' greentint -9.065 2.102 -6.343 {"}'M' greentint -9.316 2.042 -6.345 {"}'M' greentint -8.523 2.912 -6.307 {"}'M' greentint -8.73 2.64 -6.112 {"}'M' greentint -8.866 2.419 -6.121 {"}'M' greentint -9.074 2.263 -6.128 {"}'M' greentint -9.324 2.192 -6.131 {"}'M' greentint -8.682 2.895 -6.101 {"}'M' greentint -8.952 2.646 -5.952 {"}'M' greentint -9.132 2.46 -5.961 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 202 B}'M' greentint -10.007 1.45 -5.307 {"}'M' greentint -9.863 1.664 -5.298 {"}'M' greentint -9.663 1.827 -5.291 {"}'M' greentint -10.156 1.321 -5.072 {"}'M' greentint -10.06 1.554 -5.062 {"}'M' greentint -9.906 1.754 -5.053 {"}'M' greentint -9.706 1.907 -5.046 {"}'M' greentint -9.473 2.003 -5.042 {"}'M' greentint -10.216 1.177 -4.819 {"}'M' greentint -10.156 1.42 -4.808 {"}'M' greentint -10.037 1.641 -4.799 {"}'M' greentint -9.867 1.825 -4.791 {"}'M' greentint -9.656 1.961 -4.785 {"}'M' greentint -9.418 2.04 -4.781 {"}'M' greentint -10.189 1.049 -4.565 {"}'M' greentint -10.156 1.298 -4.555 {"}'M' greentint -10.06 1.531 -4.544 {"}'M' greentint -9.906 1.731 -4.536 {"}'M' greentint -9.706 1.884 -4.529 {"}'M' greentint -9.473 1.981 -4.525 {"}'M' greentint -10.081 1.159 -4.319 {"}'M' greentint -10.007 1.406 -4.308 {"}'M' greentint -9.863 1.621 -4.299 {"}'M' greentint -9.663 1.783 -4.292 {"}'M' greentint -9.824 1.401 -4.101 {"}'M' greentint -9.649 1.593 -4.093 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 220 B}'M' greentint -9.583 1.815 -5.273 {"}'M' greentint -9.706 1.594 -5.283 {"}'M' greentint -9.872 1.402 -5.291 {"}'M' greentint -10.072 1.247 -5.298 {"}'M' greentint -9.482 1.806 -5.032 {"}'M' greentint -9.598 1.578 -5.042 {"}'M' greentint -9.755 1.376 -5.051 {"}'M' greentint -9.947 1.208 -5.058 {"}'M' greentint -10.168 1.078 -5.064 {"}'M' greentint -9.365 2.032 -4.768 {"}'M' greentint -9.435 1.785 -4.779 {"}'M' greentint -9.55 1.554 -4.789 {"}'M' greentint -9.705 1.349 -4.798 {"}'M' greentint -9.895 1.176 -4.806 {"}'M' greentint -10.114 1.041 -4.811 {"}'M' greentint -9.432 1.781 -4.521 {"}'M' greentint -9.545 1.55 -4.531 {"}'M' greentint -9.699 1.344 -4.54 {"}'M' greentint -9.888 1.17 -4.547 {"}'M' greentint -10.106 1.033 -4.553 {"}'M' greentint -9.485 1.765 -4.267 {"}'M' greentint -9.602 1.538 -4.277 {"}'M' greentint -9.76 1.337 -4.286 {"}'M' greentint -9.954 1.169 -4.293 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ile A 201 1phmA_321Y_203}P -6.305 5.533 -11.45 {"}-6.305 5.533 -11.45 { ca ile A 201 1phmA_321Y_203}-7.465 6.062 -10.763 { c ile A 201 1phmA_321Y_203}-7.791 5.188 -9.594 { o ile A 201 1phmA_321Y_203}-7.806 3.953 -9.711 { c ile A 201 1phmA_321Y_203}P -7.791 5.188 -9.594 { n ala A 202 1phmA_321Y_203}-7.992 5.837 -8.442 { ca ala A 202 1phmA_321Y_203}-8.335 5.161 -7.215 { c ala A 202 1phmA_321Y_203}-9.822 4.91 -7.199 { o ala A 202 1phmA_321Y_203}-10.606 5.734 -7.667 { c ala A 202 1phmA_321Y_203}P -9.822 4.91 -7.199 { n gly A 203 1phmA_321Y_203}-10.213 3.786 -6.608 { ca gly A 203 1phmA_321Y_203}-11.613 3.448 -6.524 { c gly A 203 1phmA_321Y_203}-11.791 2.615 -5.286 { o gly A 203 1phmA_321Y_203}-10.816 2.321 -4.562 { c gly A 203 1phmA_321Y_203}P -11.791 2.615 -5.286 { n met A 204 1phmA_321Y_203}-13.025 2.192 -5.043 { ca met A 204 1phmA_321Y_203}-13.33 1.431 -3.851 { c met A 204 1phmA_321Y_203}-14.229 0.249 -4.168 { o met A 204 1phmA_321Y_203}-15.229 0.391 -4.888 { c met A 204 1phmA_321Y_203}P -14.229 0.249 -4.168 { n tyr A 205 1phmA_321Y_203}-13.875 -0.908 -3.624 { ca tyr A 205 1phmA_321Y_203}-14.696 -2.088 -3.797 { c tyr A 205 1phmA_321Y_203}-15.169 -2.386 -2.402 { o tyr A 205 1phmA_321Y_203}-14.374 -2.792 -1.548 { n ile A 319 1phmA_321Y_203}P -12.153 -2.089 0.166 {"}-12.153 -2.089 0.166 { ca ile A 319 1phmA_321Y_203}-10.968 -2.456 -0.543 { c ile A 319 1phmA_321Y_203}-10.634 -1.314 -1.461 { o ile A 319 1phmA_321Y_203}-11.332 -1.076 -2.463 { c ile A 319 1phmA_321Y_203}P -10.634 -1.314 -1.461 { n met A 320 1phmA_321Y_203}-9.545 -0.613 -1.162 { ca met A 320 1phmA_321Y_203}-9.153 0.51 -1.988 { c met A 320 1phmA_321Y_203}-8.194 0.023 -3.047 { o met A 320 1phmA_321Y_203}-7.179 -0.613 -2.735 { c met A 320 1phmA_321Y_203}P -8.194 0.023 -3.047 { n tyr A 321 1phmA_321Y_203}-8.41 0.461 -4.278 { ca tyr A 321 1phmA_321Y_203}-7.597 -0.027 -5.388 { c tyr A 321 1phmA_321Y_203}-7.28 1.051 -6.375 { o tyr A 321 1phmA_321Y_203}-7.816 2.146 -6.279 { c tyr A 321 1phmA_321Y_203}P -7.28 1.051 -6.375 { n tyr A 322 1phmA_321Y_203}-6.416 0.733 -7.341 { ca tyr A 322 1phmA_321Y_203}-6.139 1.64 -8.439 { c tyr A 322 1phmA_321Y_203}-6.34 0.837 -9.729 { o tyr A 322 1phmA_321Y_203}-6.242 -0.421 -9.727 { c tyr A 322 1phmA_321Y_203}P -6.34 0.837 -9.729 { n met A 323 1phmA_321Y_203}-6.671 1.545 -10.802 { ca met A 323 1phmA_321Y_203}-6.869 0.915 -12.113 { c met A 323 1phmA_321Y_203}-6.273 1.855 -13.136 { o met A 323 1phmA_321Y_203}-6.117 3.048 -12.866 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ile A 201 1phmA_321Y_203}P -6.305 5.533 -11.45 { ca ile A 201 1phmA_321Y_203}P -7.465 6.062 -10.763 { n ala A 202 1phmA_321Y_203}P -7.992 5.837 -8.442 { ca ala A 202 1phmA_321Y_203}P -8.335 5.161 -7.215 { n gly A 203 1phmA_321Y_203}P -10.213 3.786 -6.608 { ca gly A 203 1phmA_321Y_203}P -11.613 3.448 -6.524 {"}P -11.613 3.448 -6.524 { n met A 204 1phmA_321Y_203}P -13.025 2.192 -5.043 { ca met A 204 1phmA_321Y_203}P -13.33 1.431 -3.851 { n tyr A 205 1phmA_321Y_203}P -13.875 -0.908 -3.624 { ca tyr A 205 1phmA_321Y_203}P -14.696 -2.088 -3.797 { n ile A 319 1phmA_321Y_203}P -12.153 -2.089 0.166 { ca ile A 319 1phmA_321Y_203}P -10.968 -2.456 -0.543 { n met A 320 1phmA_321Y_203}P -9.545 -0.613 -1.162 { ca met A 320 1phmA_321Y_203}P -9.153 0.51 -1.988 { n tyr A 321 1phmA_321Y_203}P -8.41 0.461 -4.278 { ca tyr A 321 1phmA_321Y_203}P -7.597 -0.027 -5.388 { n tyr A 322 1phmA_321Y_203}P -6.416 0.733 -7.341 { ca tyr A 322 1phmA_321Y_203}P -6.139 1.64 -8.439 { n met A 323 1phmA_321Y_203}P -6.671 1.545 -10.802 { ca met A 323 1phmA_321Y_203}P -6.869 0.915 -12.113 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ile A 201 1phmA_321Y_203}P -7.465 6.062 -10.763 {"}-7.465 6.062 -10.763 { ca ala A 202 1phmA_321Y_203}-8.335 5.161 -7.215 { ca gly A 203 1phmA_321Y_203}-11.613 3.448 -6.524 { ca met A 204 1phmA_321Y_203}-13.33 1.431 -3.851 { ca tyr A 205 1phmA_321Y_203}-14.696 -2.088 -3.797 { ca ile A 319 1phmA_321Y_203}-10.968 -2.456 -0.543 { ca met A 320 1phmA_321Y_203}-9.153 0.51 -1.988 { ca tyr A 321 1phmA_321Y_203}-7.597 -0.027 -5.388 { ca tyr A 322 1phmA_321Y_203}-6.139 1.64 -8.439 { ca met A 323 1phmA_321Y_203}-6.869 0.915 -12.113 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ile A 201 1phmA_321Y_203}P -7.465 6.062 -10.763 { ca ala A 202 1phmA_321Y_203}P -8.335 5.161 -7.215 { ca met A 204 1phmA_321Y_203}P -13.33 1.431 -3.851 { ca tyr A 205 1phmA_321Y_203}P -14.696 -2.088 -3.797 { ca ile A 319 1phmA_321Y_203}P -10.968 -2.456 -0.543 { ca met A 320 1phmA_321Y_203}P -9.153 0.51 -1.988 { ca tyr A 321 1phmA_321Y_203}P -7.597 -0.027 -5.388 { cb tyr A 321 1phmA_321Y_203}-8.424 -1.111 -6.149 { cg tyr A 321 1phmA_321Y_203}-9.748 -0.607 -6.759 { cd1 tyr A 321 1phmA_321Y_203}-9.754 0.178 -7.904 { ce1 tyr A 321 1phmA_321Y_203}-10.939 0.648 -8.466 { cz tyr A 321 1phmA_321Y_203}-12.126 0.322 -7.879 { oh tyr A 321 1phmA_321Y_203}-13.286 0.824 -8.43 { cg tyr A 321 1phmA_321Y_203}P -9.748 -0.607 -6.759 { cd2 tyr A 321 1phmA_321Y_203}-10.974 -0.918 -6.187 { ce2 tyr A 321 1phmA_321Y_203}-12.16 -0.463 -6.742 { cz tyr A 321 1phmA_321Y_203}ghost -12.126 0.322 -7.879 { ca tyr A 322 1phmA_321Y_203}P -6.139 1.64 -8.439 { ca met A 323 1phmA_321Y_203}P -6.869 0.915 -12.113 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 321 1phmA_321Y_203}P -8.424 -1.111 -6.149 {"}P -8.424 -1.111 -6.149 { cd1 tyr A 321 1phmA_321Y_203}P -9.754 0.178 -7.904 { cd2 tyr A 321 1phmA_321Y_203}P -10.974 -0.918 -6.187 { ce1 tyr A 321 1phmA_321Y_203}P -10.939 0.648 -8.466 { ce2 tyr A 321 1phmA_321Y_203}P -12.16 -0.463 -6.742 { oh tyr A 321 1phmA_321Y_203}P -13.286 0.824 -8.43 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 321 1phmA_321Y_203}P -7.597 -0.027 -5.388 { cb tyr A 321 1phmA_321Y_203}-8.424 -1.111 -6.149 { cg tyr A 321 1phmA_321Y_203}-9.748 -0.607 -6.759 { cd1 tyr A 321 1phmA_321Y_203}-9.754 0.178 -7.904 { ce1 tyr A 321 1phmA_321Y_203}-10.939 0.648 -8.466 { cz tyr A 321 1phmA_321Y_203}-12.126 0.322 -7.879 { oh tyr A 321 1phmA_321Y_203}-13.286 0.824 -8.43 { cg tyr A 321 1phmA_321Y_203}P -9.748 -0.607 -6.759 { cd2 tyr A 321 1phmA_321Y_203}-10.974 -0.918 -6.187 { ce2 tyr A 321 1phmA_321Y_203}-12.16 -0.463 -6.742 { cz tyr A 321 1phmA_321Y_203}ghost -12.126 0.322 -7.879 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 321 1phmA_321Y_203}P -8.424 -1.111 -6.149 {"}P -8.424 -1.111 -6.149 { cd1 tyr A 321 1phmA_321Y_203}P -9.754 0.178 -7.904 { cd2 tyr A 321 1phmA_321Y_203}P -10.974 -0.918 -6.187 { ce1 tyr A 321 1phmA_321Y_203}P -10.939 0.648 -8.466 { ce2 tyr A 321 1phmA_321Y_203}P -12.16 -0.463 -6.742 { oh tyr A 321 1phmA_321Y_203}P -13.286 0.824 -8.43 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 321 A}'P' green -11.577 2.277 -8.526 {"}'P' green -11.335 2.34 -8.261 {"}'P' green -11.078 2.38 -8.259 {"}'P' sea -10.874 2.334 -8.003 {"}'P' green -10.947 2.248 -7.756 { CZ TYR 321 A}'P' green -12.33 2.031 -8.194 {"}'P' green -12.637 1.839 -7.173 {"}'P' green -12.319 1.786 -6.939 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 TYR 321 A}'P' P -11.819 2.148 -8.27 {"}'P' -11.81 2.134 -8.271 {"}'P' P -11.584 2.262 -8.265 {"}'P' -11.574 2.235 -8.268 {"}'P' P -11.866 2.062 -8.014 {"}'P' -11.828 2.003 -8.033 {"}'P' P -11.637 2.186 -8.009 {"}'P' -11.596 2.097 -8.036 {"}'P' P -11.391 2.275 -8.005 {"}'P' -11.37 2.2 -8.026 {"}'P' P -11.135 2.324 -8.003 {"}'P' -11.133 2.311 -8.007 {"}'P' P -11.686 2.066 -7.764 {"}'P' -11.634 1.969 -7.813 {"}'P' P -11.45 2.165 -7.76 {"}'P' -11.416 2.064 -7.807 {"}'P' P -11.202 2.226 -7.757 {"}'P' -11.193 2.17 -7.782 {"}'P' P -11.621 1.962 -7.533 {"}'P' -11.586 1.893 -7.582 {"}'P' P -11.383 2.058 -7.529 {"}'P' -11.362 1.991 -7.573 {"}'P' P -11.132 2.112 -7.526 {"}'P' -11.129 2.092 -7.539 {"}'P' P -11.394 1.889 -7.32 {"}'P' -11.391 1.879 -7.329 { CZ TYR 321 A}'P' P -12.069 2.043 -8.194 {"}'P' -12.069 2.037 -8.193 {"}'P' P -12.514 2.027 -7.935 {"}'P' -12.513 2.024 -7.935 {"}'P' P -12.256 2.066 -7.934 {"}'P' -12.251 1.994 -7.931 {"}'P' P -11.996 2.066 -7.934 {"}'P' -12.003 1.969 -7.931 {"}'P' P -12.522 2.014 -7.674 {"}'P' -12.513 1.974 -7.679 {"}'P' P -12.265 2.054 -7.672 {"}'P' -12.255 1.938 -7.686 {"}'P' P -12.004 2.055 -7.672 {"}'P' -12.014 1.91 -7.69 {"}'P' P -11.746 2.018 -7.674 {"}'P' -11.772 1.901 -7.688 {"}'P' P -12.578 1.949 -7.418 {"}'P' -12.574 1.935 -7.422 {"}'P' P -12.322 1.998 -7.416 {"}'P' -12.311 1.904 -7.442 {"}'P' P -12.061 2.008 -7.416 {"}'P' -12.066 1.874 -7.452 {"}'P' P -11.801 1.978 -7.417 {"}'P' -11.824 1.861 -7.45 {"}'P' P -12.389 1.9 -7.17 {"}'P' -12.385 1.877 -7.181 {"}'P' P -12.134 1.922 -7.169 {"}'P' -12.134 1.853 -7.2 {"}'P' P -11.879 1.903 -7.17 {"}'P' -11.89 1.835 -7.2 {"}'P' P -11.63 1.844 -7.173 {"}'P' -11.638 1.821 -7.183 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 321 A}'P' sky -12.912 2.16 -8.242 {"}'P' sky -13.104 2.036 -7.752 {"}'P' blue -13.092 1.886 -7.539 { HH TYR 321 A}'P' blue -12.748 2.307 -8.576 {"}'P' sky -12.524 2.18 -8.582 {"}'P' blue -12.346 1.992 -8.59 {"}'P' blue -12.992 2.193 -8.374 {"}'P' sky -12.742 2.122 -8.377 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 321 A}'P' sea -12.672 2.069 -8.246 {"}'P' sea -12.969 2.115 -7.99 {"}'P' green -12.727 2.031 -7.994 {"}'P' sea -12.858 1.974 -7.755 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 203 A}'P' sky -12.493 2.462 -8.351 {"}'P' sky -12.699 2.422 -8.168 {"}'P' sky -12.867 2.424 -7.946 {"}'P' blue -12.958 2.401 -7.699 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 203 A}'P' green -11.375 2.462 -8.351 {"}'P' green -11.569 2.3 -8.358 {"}'P' green -11.807 2.213 -8.362 {"}'P' green -11.16 2.436 -8.167 {"}'P' green -12.306 2.088 -8.182 {"}'P' sea -12.527 2.227 -8.176 {"}'P' green -11.001 2.424 -7.946 {"}'P' green -12.533 2.046 -7.962 {"}'P' sea -12.723 2.215 -7.955 {"}'P' green -12.639 2.006 -7.716 {"}'P' sea -12.821 2.185 -7.708 {"}'P' green -12.308 1.884 -6.953 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 203 A}'P' P -11.329 2.238 -8.176 {"}'P' -11.351 2.262 -8.147 {"}'P' P -11.546 2.095 -8.182 {"}'P' -11.572 2.148 -8.131 {"}'P' P -11.796 2.019 -8.185 {"}'P' -11.802 2.06 -8.15 {"}'P' P -12.056 2.017 -8.185 {"}'P' -12.055 2.027 -8.177 {"}'P' P -11.145 2.215 -7.955 {"}'P' -11.175 2.241 -7.934 {"}'P' P -11.335 2.046 -7.962 {"}'P' -11.389 2.123 -7.913 {"}'P' P -11.56 1.928 -7.967 {"}'P' -11.599 2.028 -7.91 {"}'P' P -11.807 1.868 -7.97 {"}'P' -11.816 1.943 -7.929 {"}'P' P -12.061 1.868 -7.97 {"}'P' -12.05 1.955 -7.922 {"}'P' P -12.308 1.928 -7.967 {"}'P' -12.287 1.982 -7.936 {"}'P' P -11.037 2.198 -7.708 {"}'P' -11.045 2.205 -7.705 {"}'P' P -11.216 2.016 -7.716 {"}'P' -11.267 2.078 -7.695 {"}'P' P -11.432 1.879 -7.722 {"}'P' -11.481 1.978 -7.692 {"}'P' P -11.672 1.793 -7.726 {"}'P' -11.695 1.888 -7.699 {"}'P' P -11.926 1.763 -7.727 {"}'P' -11.927 1.901 -7.689 {"}'P' P -12.18 1.79 -7.726 {"}'P' -12.151 1.918 -7.69 {"}'P' P -12.422 1.872 -7.722 {"}'P' -12.387 1.944 -7.701 {"}'P' P -11.177 2 -7.456 {"}'P' -11.191 2.017 -7.455 {"}'P' P -11.386 1.858 -7.462 {"}'P' -11.413 1.909 -7.46 {"}'P' P -11.621 1.765 -7.466 {"}'P' -11.643 1.845 -7.463 {"}'P' P -11.871 1.724 -7.468 {"}'P' -11.878 1.857 -7.462 {"}'P' P -12.123 1.738 -7.467 {"}'P' -12.101 1.873 -7.461 {"}'P' P -12.367 1.805 -7.464 {"}'P' -12.332 1.894 -7.461 {"}'P' P -12.591 1.924 -7.459 {"}'P' -12.582 1.936 -7.459 {"}'P' P -11.672 1.77 -7.205 {"}'P' -11.682 1.813 -7.213 {"}'P' P -11.926 1.74 -7.207 {"}'P' -11.926 1.823 -7.222 {"}'P' P -12.18 1.767 -7.205 {"}'P' -12.164 1.841 -7.219 {"}'P' P -12.422 1.849 -7.202 {"}'P' -12.41 1.873 -7.207 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 321 A}'M' green -8.912 2.781 -6.876 {"}'M' green -9.157 2.282 -6.657 {"}'M' green -9.156 2.257 -5.891 {"}'M' green -9.014 2.486 -5.64 {"}'M' green -8.772 2.928 -5.62 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 321 A}'M' greentint -9.11 2.534 -6.646 {"}'M' greentint -9.017 2.772 -6.635 {"}'M' greentint -8.879 2.988 -6.626 {"}'M' greentint -8.704 3.174 -6.618 {"}'M' greentint -9.186 2.408 -6.397 {"}'M' greentint -9.116 2.655 -6.386 {"}'M' greentint -9.001 2.885 -6.376 {"}'M' greentint -8.846 3.09 -6.367 {"}'M' greentint -8.656 3.263 -6.36 {"}'M' greentint -9.188 2.388 -6.139 {"}'M' greentint -9.119 2.636 -6.128 {"}'M' greentint -9.006 2.867 -6.118 {"}'M' greentint -8.852 3.073 -6.109 {"}'M' greentint -8.663 3.247 -6.102 {"}'M' greentint -9.108 2.508 -5.88 {"}'M' greentint -9.013 2.746 -5.869 {"}'M' greentint -8.874 2.961 -5.86 {"}'M' greentint -8.698 3.146 -5.852 {"}'M' greentint -8.916 2.719 -5.629 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 203 A}'M' greentint -8.763 2.894 -6.704 {"}'M' greentint -8.873 2.66 -6.715 {"}'M' greentint -9.047 2.47 -6.723 {"}'M' greentint -8.66 2.881 -6.463 {"}'M' greentint -8.756 2.648 -6.474 {"}'M' greentint -8.91 2.448 -6.482 {"}'M' greentint -9.11 2.295 -6.489 {"}'M' greentint -8.627 3.13 -6.453 {"}'M' greentint -8.622 2.878 -6.205 {"}'M' greentint -8.713 2.645 -6.215 {"}'M' greentint -8.859 2.441 -6.224 {"}'M' greentint -9.05 2.28 -6.231 {"}'M' greentint -8.593 3.127 -6.194 {"}'M' greentint -8.66 2.858 -5.946 {"}'M' greentint -8.756 2.625 -5.956 {"}'M' greentint -8.91 2.425 -5.965 {"}'M' greentint -9.11 2.272 -5.972 {"}'M' greentint -8.627 3.108 -5.935 {"}'M' greentint -8.763 2.85 -5.705 {"}'M' greentint -8.873 2.617 -5.715 {"}'M' greentint -9.047 2.426 -5.724 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 321 A}'M' green -9.969 1.271 -5.022 {"}'M' green -9.551 1.895 -4.995 {"}'M' green -10.077 1.139 -4.787 {"}'M' green -10.077 1.117 -4.269 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 321 A}'M' greentint -9.895 1.518 -5.011 {"}'M' greentint -9.751 1.732 -5.002 {"}'M' greentint -10.044 1.389 -4.776 {"}'M' greentint -9.948 1.622 -4.766 {"}'M' greentint -9.794 1.822 -4.757 {"}'M' greentint -9.594 1.975 -4.75 {"}'M' greentint -10.104 1.245 -4.523 {"}'M' greentint -10.044 1.488 -4.512 {"}'M' greentint -9.925 1.709 -4.503 {"}'M' greentint -9.755 1.893 -4.495 {"}'M' greentint -9.544 2.029 -4.489 {"}'M' greentint -10.044 1.366 -4.259 {"}'M' greentint -9.948 1.599 -4.248 {"}'M' greentint -9.794 1.799 -4.24 {"}'M' greentint -9.594 1.952 -4.233 {"}'M' greentint -9.895 1.474 -4.012 {"}'M' greentint -9.751 1.689 -4.003 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 203 A}'M' green -9.787 1.633 -5.217 {"}'M' green -10.028 1.247 -4.992 {"}'M' green -9.446 2.071 -4.702 {"}'M' green -9.444 2.068 -4.444 {"}'M' green -10.187 1.072 -4.487 {"}'M' green -9.494 2.05 -4.19 {"}'M' green -9.661 1.807 -3.96 {"}'M' green -9.947 1.392 -3.978 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 203 A}'M' greentint -9.563 1.845 -4.966 {"}'M' greentint -9.679 1.617 -4.976 {"}'M' greentint -9.836 1.415 -4.985 {"}'M' greentint -9.516 1.824 -4.713 {"}'M' greentint -9.631 1.593 -4.723 {"}'M' greentint -9.786 1.388 -4.732 {"}'M' greentint -9.976 1.215 -4.74 {"}'M' greentint -9.513 1.82 -4.455 {"}'M' greentint -9.626 1.589 -4.465 {"}'M' greentint -9.78 1.383 -4.474 {"}'M' greentint -9.969 1.209 -4.481 {"}'M' greentint -9.566 1.804 -4.201 {"}'M' greentint -9.683 1.577 -4.211 {"}'M' greentint -9.841 1.376 -4.22 {"}'M' greentint -10.035 1.208 -4.227 {"}'M' greentint -9.783 1.585 -3.969 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n phe B 143 1pk6B_145Y_183}P -11.37 -1.52 1.481 {"}-11.37 -1.52 1.481 { ca phe B 143 1pk6B_145Y_183}-10.961 -2.057 0.192 { c phe B 143 1pk6B_145Y_183}-10.685 -0.92 -0.783 { o phe B 143 1pk6B_145Y_183}-11.42 0.073 -0.819 { c phe B 143 1pk6B_145Y_183}P -10.685 -0.92 -0.783 { n thr B 144 1pk6B_145Y_183}-9.638 -1.087 -1.582 { ca thr B 144 1pk6B_145Y_183}-9.246 -0.046 -2.513 { c thr B 144 1pk6B_145Y_183}-8.497 -0.563 -3.742 { o thr B 144 1pk6B_145Y_183}-7.935 -1.662 -3.734 { c thr B 144 1pk6B_145Y_183}P -8.497 -0.563 -3.742 { n tyr B 145 1pk6B_145Y_183}-8.505 0.229 -4.808 { ca tyr B 145 1pk6B_145Y_183}-7.791 -0.168 -6.002 { c tyr B 145 1pk6B_145Y_183}-7.38 1.05 -6.807 { o tyr B 145 1pk6B_145Y_183}-7.943 2.142 -6.658 { c tyr B 145 1pk6B_145Y_183}P -7.38 1.05 -6.807 { n his B 146 1pk6B_145Y_183}-6.365 0.847 -7.635 { ca his B 146 1pk6B_145Y_183}-5.87 1.879 -8.535 { c his B 146 1pk6B_145Y_183}-5.694 1.131 -9.847 { o his B 146 1pk6B_145Y_183}-4.906 0.189 -9.948 { c his B 146 1pk6B_145Y_183}P -5.694 1.131 -9.847 { n ala B 147 1pk6B_145Y_183}-6.451 1.532 -10.854 { ca ala B 147 1pk6B_145Y_183}-6.379 0.863 -12.146 { c ala B 147 1pk6B_145Y_183}-5.842 1.743 -13.265 { o ala B 147 1pk6B_145Y_183}-6.394 2.819 -13.524 { n thr B 181 1pk6B_145Y_183}P -7.085 5.397 -12.421 {"}-7.085 5.397 -12.421 { ca thr B 181 1pk6B_145Y_183}-8.277 5.732 -11.672 { c thr B 181 1pk6B_145Y_183}-8.309 4.977 -10.356 { o thr B 181 1pk6B_145Y_183}-7.552 4.024 -10.153 { c thr B 181 1pk6B_145Y_183}P -8.309 4.977 -10.356 { n thr B 182 1pk6B_145Y_183}-9.185 5.405 -9.463 { ca thr B 182 1pk6B_145Y_183}-9.255 4.752 -8.18 { c thr B 182 1pk6B_145Y_183}-10.66 4.695 -7.593 { o thr B 182 1pk6B_145Y_183}-11.553 5.457 -7.975 { c thr B 182 1pk6B_145Y_183}P -10.66 4.695 -7.593 { n gly B 183 1pk6B_145Y_183}-10.828 3.758 -6.666 { ca gly B 183 1pk6B_145Y_183}-12.093 3.559 -5.992 { c gly B 183 1pk6B_145Y_183}-11.755 2.949 -4.648 { o gly B 183 1pk6B_145Y_183}-10.672 2.366 -4.479 { c gly B 183 1pk6B_145Y_183}P -11.755 2.949 -4.648 { n gly B 184 1pk6B_145Y_183}-12.67 3.089 -3.695 { ca gly B 184 1pk6B_145Y_183}-12.455 2.55 -2.364 { c gly B 184 1pk6B_145Y_183}-13.757 2.44 -1.593 { o gly B 184 1pk6B_145Y_183}-14.728 3.163 -1.867 { c gly B 184 1pk6B_145Y_183}P -13.757 2.44 -1.593 { n met B 185 1pk6B_145Y_183}-13.772 1.547 -0.606 { ca met B 185 1pk6B_145Y_183}-14.976 1.34 0.188 { c met B 185 1pk6B_145Y_183}-14.707 0.67 1.531 { o met B 185 1pk6B_145Y_183}-13.849 -0.227 1.641 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n phe B 143 1pk6B_145Y_183}P -11.37 -1.52 1.481 { ca phe B 143 1pk6B_145Y_183}P -10.961 -2.057 0.192 { n thr B 144 1pk6B_145Y_183}P -9.638 -1.087 -1.582 { ca thr B 144 1pk6B_145Y_183}P -9.246 -0.046 -2.513 { n tyr B 145 1pk6B_145Y_183}P -8.505 0.229 -4.808 { ca tyr B 145 1pk6B_145Y_183}P -7.791 -0.168 -6.002 { n his B 146 1pk6B_145Y_183}P -6.365 0.847 -7.635 { ca his B 146 1pk6B_145Y_183}P -5.87 1.879 -8.535 { n ala B 147 1pk6B_145Y_183}P -6.451 1.532 -10.854 { ca ala B 147 1pk6B_145Y_183}P -6.379 0.863 -12.146 { n thr B 181 1pk6B_145Y_183}P -7.085 5.397 -12.421 { ca thr B 181 1pk6B_145Y_183}P -8.277 5.732 -11.672 { n thr B 182 1pk6B_145Y_183}P -9.185 5.405 -9.463 { ca thr B 182 1pk6B_145Y_183}P -9.255 4.752 -8.18 { n gly B 183 1pk6B_145Y_183}P -10.828 3.758 -6.666 { ca gly B 183 1pk6B_145Y_183}P -12.093 3.559 -5.992 {"}P -12.093 3.559 -5.992 { n gly B 184 1pk6B_145Y_183}P -12.67 3.089 -3.695 { ca gly B 184 1pk6B_145Y_183}P -12.455 2.55 -2.364 {"}P -12.455 2.55 -2.364 { n met B 185 1pk6B_145Y_183}P -13.772 1.547 -0.606 { ca met B 185 1pk6B_145Y_183}P -14.976 1.34 0.188 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca phe B 143 1pk6B_145Y_183}P -10.961 -2.057 0.192 {"}-10.961 -2.057 0.192 { ca thr B 144 1pk6B_145Y_183}-9.246 -0.046 -2.513 { ca tyr B 145 1pk6B_145Y_183}-7.791 -0.168 -6.002 { ca his B 146 1pk6B_145Y_183}-5.87 1.879 -8.535 { ca ala B 147 1pk6B_145Y_183}-6.379 0.863 -12.146 { ca thr B 181 1pk6B_145Y_183}P -8.277 5.732 -11.672 {"}-8.277 5.732 -11.672 { ca thr B 182 1pk6B_145Y_183}-9.255 4.752 -8.18 { ca gly B 183 1pk6B_145Y_183}-12.093 3.559 -5.992 { ca gly B 184 1pk6B_145Y_183}-12.455 2.55 -2.364 { ca met B 185 1pk6B_145Y_183}-14.976 1.34 0.188 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca phe B 143 1pk6B_145Y_183}P -10.961 -2.057 0.192 { ca thr B 144 1pk6B_145Y_183}P -9.246 -0.046 -2.513 { ca tyr B 145 1pk6B_145Y_183}P -7.791 -0.168 -6.002 { cb tyr B 145 1pk6B_145Y_183}-8.653 -1.083 -6.882 { cg tyr B 145 1pk6B_145Y_183}-9.774 -0.375 -7.608 { cd1 tyr B 145 1pk6B_145Y_183}-9.556 0.24 -8.843 { ce1 tyr B 145 1pk6B_145Y_183}-10.562 0.941 -9.48 { cz tyr B 145 1pk6B_145Y_183}-11.801 1.035 -8.884 { oh tyr B 145 1pk6B_145Y_183}-12.788 1.745 -9.518 { cg tyr B 145 1pk6B_145Y_183}P -9.774 -0.375 -7.608 { cd2 tyr B 145 1pk6B_145Y_183}-11.037 -0.272 -7.036 { ce2 tyr B 145 1pk6B_145Y_183}-12.05 0.43 -7.662 { cz tyr B 145 1pk6B_145Y_183}ghost -11.801 1.035 -8.884 { ca his B 146 1pk6B_145Y_183}P -5.87 1.879 -8.535 { ca ala B 147 1pk6B_145Y_183}P -6.379 0.863 -12.146 { ca thr B 181 1pk6B_145Y_183}P -8.277 5.732 -11.672 { ca thr B 182 1pk6B_145Y_183}P -9.255 4.752 -8.18 { ca met B 185 1pk6B_145Y_183}P -14.976 1.34 0.188 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr B 145 1pk6B_145Y_183}P -8.653 -1.083 -6.882 {"}P -8.653 -1.083 -6.882 { cd1 tyr B 145 1pk6B_145Y_183}P -9.556 0.24 -8.843 { cd2 tyr B 145 1pk6B_145Y_183}P -11.037 -0.272 -7.036 { ce1 tyr B 145 1pk6B_145Y_183}P -10.562 0.941 -9.48 { ce2 tyr B 145 1pk6B_145Y_183}P -12.05 0.43 -7.662 { oh tyr B 145 1pk6B_145Y_183}P -12.788 1.745 -9.518 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr B 145 1pk6B_145Y_183}P -7.791 -0.168 -6.002 { cb tyr B 145 1pk6B_145Y_183}-8.653 -1.083 -6.882 { cg tyr B 145 1pk6B_145Y_183}-9.774 -0.375 -7.608 { cd1 tyr B 145 1pk6B_145Y_183}-9.556 0.24 -8.843 { ce1 tyr B 145 1pk6B_145Y_183}-10.562 0.941 -9.48 { cz tyr B 145 1pk6B_145Y_183}-11.801 1.035 -8.884 { oh tyr B 145 1pk6B_145Y_183}-12.788 1.745 -9.518 { cg tyr B 145 1pk6B_145Y_183}P -9.774 -0.375 -7.608 { cd2 tyr B 145 1pk6B_145Y_183}-11.037 -0.272 -7.036 { ce2 tyr B 145 1pk6B_145Y_183}-12.05 0.43 -7.662 { cz tyr B 145 1pk6B_145Y_183}ghost -11.801 1.035 -8.884 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr B 145 1pk6B_145Y_183}P -8.653 -1.083 -6.882 {"}P -8.653 -1.083 -6.882 { cd1 tyr B 145 1pk6B_145Y_183}P -9.556 0.24 -8.843 { cd2 tyr B 145 1pk6B_145Y_183}P -11.037 -0.272 -7.036 { ce1 tyr B 145 1pk6B_145Y_183}P -10.562 0.941 -9.48 { ce2 tyr B 145 1pk6B_145Y_183}P -12.05 0.43 -7.662 { oh tyr B 145 1pk6B_145Y_183}P -12.788 1.745 -9.518 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 145 B}'P' sky -12.688 2.059 -7.722 { CZ TYR 145 B}'P' blue -12.702 2.214 -7.957 {"}'P' sky -12.483 2.349 -7.951 {"}'P' blue -12.245 2.445 -7.947 {"}'P' sky -12.004 2.339 -7.735 { HE2 TYR 145 B}'P' blue -13.293 1.428 -6.896 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 145 B}'P' sea -12.93 1.93 -7.466 {"}'P' green -12.695 2.044 -7.461 {"}'P' green -12.446 2.122 -7.457 {"}'P' green -12.189 2.162 -7.455 {"}'P' sea -11.928 2.163 -7.455 {"}'P' green -12.977 1.844 -7.21 {"}'P' green -11.985 2.116 -7.199 {"}'P' green -13.014 1.714 -6.966 {"}'P' green -12.058 2.03 -6.952 {"}'P' green -12.951 1.609 -6.735 {"}'P' sea -12.741 1.562 -6.52 {"}'P' green -12.505 1.671 -6.516 {"}'P' green -12.253 1.734 -6.513 { CZ TYR 145 B}'P' sea -12.492 2.167 -7.742 {"}'P' sea -12.256 2.276 -7.738 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 TYR 145 B}'P' P -12.748 1.968 -7.205 {"}'P' -12.738 1.947 -7.211 {"}'P' P -12.502 2.057 -7.201 {"}'P' -12.49 2.013 -7.214 {"}'P' P -12.246 2.106 -7.199 {"}'P' -12.243 2.085 -7.205 {"}'P' P -12.797 1.848 -6.96 {"}'P' -12.785 1.827 -6.971 {"}'P' P -12.561 1.947 -6.956 {"}'P' -12.542 1.891 -6.982 {"}'P' P -12.313 2.008 -6.953 {"}'P' -12.305 1.958 -6.976 {"}'P' P -12.732 1.744 -6.729 {"}'P' -12.731 1.741 -6.731 {"}'P' P -12.494 1.84 -6.725 {"}'P' -12.484 1.81 -6.744 {"}'P' P -12.243 1.894 -6.722 {"}'P' -12.24 1.878 -6.732 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 183 B}'P' blue -12.305 2.695 -7.637 {"}'P' sky -12.488 2.506 -7.645 {"}'P' sky -12.741 2.434 -7.648 {"}'P' sky -12.19 2.466 -7.507 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 183 B}'P' sea -12.384 2.304 -7.514 {"}'P' green -12.622 2.217 -7.518 {"}'P' sea -12.876 2.217 -7.518 {"}'P' green -12.144 2.242 -7.332 {"}'P' green -12.871 2.021 -7.341 {"}'P' green -11.96 2.219 -7.111 {"}'P' sea -13.123 1.932 -7.123 {"}'P' green -12.031 2.02 -6.872 {"}'P' green -12.995 1.794 -6.882 {"}'P' green -12.201 1.862 -6.618 {"}'P' green -12.686 1.728 -6.624 {"}'P' green -12.938 1.742 -6.623 {"}'P' sea -12.487 1.774 -6.361 {"}'P' sea -12.741 1.744 -6.363 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 183 B}'P' P -12.361 2.099 -7.338 {"}'P' -12.365 2.106 -7.331 {"}'P' P -12.611 2.023 -7.341 {"}'P' -12.612 2.035 -7.331 {"}'P' P -12.15 2.05 -7.118 {"}'P' -12.16 2.064 -7.109 {"}'P' P -12.375 1.932 -7.123 {"}'P' -12.395 1.982 -7.095 {"}'P' P -12.622 1.872 -7.126 {"}'P' -12.628 1.919 -7.1 {"}'P' P -12.876 1.872 -7.126 {"}'P' -12.876 1.873 -7.125 {"}'P' P -12.247 1.883 -6.878 {"}'P' -12.265 1.921 -6.866 {"}'P' P -12.487 1.797 -6.882 {"}'P' -12.5 1.852 -6.866 {"}'P' P -12.741 1.767 -6.883 {"}'P' -12.741 1.794 -6.876 {"}'P' P -12.436 1.769 -6.622 {"}'P' -12.438 1.774 -6.622 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 145 B}'M' sky -9.006 2.984 -7.005 {"}'M' sky -9.337 2.148 -6.787 {"}'M' sky -9.337 2.128 -6.529 {"}'M' sky -9.191 2.233 -6.029 @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 145 B}'M' sea -9.237 2.53 -7.025 {"}'M' sea -9.144 2.768 -7.014 {"}'M' green -9.313 2.404 -6.776 {"}'M' green -9.243 2.651 -6.765 {"}'M' green -9.128 2.881 -6.755 {"}'M' sea -8.973 3.086 -6.746 {"}'M' green -9.315 2.384 -6.518 {"}'M' green -9.246 2.632 -6.507 {"}'M' green -9.133 2.863 -6.497 {"}'M' sea -9.283 2.253 -6.27 {"}'M' green -9.235 2.504 -6.259 {"}'M' green -9.14 2.742 -6.248 {"}'M' green -9.001 2.957 -6.239 {"}'M' sea -9.141 2.482 -6.019 {"}'M' sea -9.043 2.715 -6.008 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 183 B}'M' -9.445 2.909 -7.09 {"}'M' -9.558 2.484 -6.901 {"}'M' -9.238 3.163 -6.871 {"}'M' -9.621 2.309 -6.667 {"}'M' -9.274 2.864 -5.883 {"}'M' -9.384 2.631 -5.893 @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 183 B}'M' sea -9.274 2.908 -6.882 {"}'M' sea -9.384 2.674 -6.893 {"}'M' green -9.171 2.895 -6.641 {"}'M' green -9.267 2.662 -6.652 {"}'M' green -9.421 2.462 -6.66 {"}'M' sea -9.138 3.144 -6.631 {"}'M' green -9.133 2.892 -6.383 {"}'M' green -9.224 2.659 -6.393 {"}'M' green -9.37 2.455 -6.402 {"}'M' sea -9.561 2.294 -6.409 {"}'M' green -9.171 2.872 -6.124 {"}'M' green -9.267 2.639 -6.134 {"}'M' sea -9.421 2.439 -6.143 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 145 B}'M' green -9.617 1.713 -5.338 {"}'M' green -9.91 1.37 -5.112 {"}'M' green -9.46 1.956 -5.086 {"}'M' green -9.943 1.098 -4.605 {"}'M' green -9.227 2.03 -4.565 {"}'M' green -9.835 1.208 -4.359 {"}'M' green -9.578 1.45 -4.141 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 145 B}'M' greentint -9.814 1.603 -5.102 {"}'M' greentint -9.66 1.803 -5.093 {"}'M' greentint -9.97 1.226 -4.859 {"}'M' greentint -9.91 1.469 -4.848 {"}'M' greentint -9.791 1.69 -4.839 {"}'M' greentint -9.621 1.874 -4.831 {"}'M' greentint -9.41 2.01 -4.825 {"}'M' greentint -9.91 1.347 -4.595 {"}'M' greentint -9.814 1.58 -4.584 {"}'M' greentint -9.66 1.78 -4.576 {"}'M' greentint -9.46 1.933 -4.569 {"}'M' greentint -9.761 1.455 -4.348 {"}'M' greentint -9.617 1.67 -4.339 {"}'M' greentint -9.417 1.832 -4.332 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 183 B}'M' green -9.811 1.692 -5.353 {"}'M' green -10.009 1.331 -5.149 {"}'M' green -9.348 2.136 -4.873 {"}'M' green -10.105 1.162 -4.915 {"}'M' green -9.302 2.116 -4.619 {"}'M' green -10.051 1.125 -4.662 {"}'M' green -9.539 1.622 -4.128 {"}'M' green -9.697 1.421 -4.137 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 183 B}'M' greentint -9.52 1.899 -5.124 {"}'M' greentint -9.643 1.678 -5.134 {"}'M' greentint -9.809 1.486 -5.142 {"}'M' greentint -9.419 1.89 -4.883 {"}'M' greentint -9.535 1.662 -4.893 {"}'M' greentint -9.692 1.46 -4.902 {"}'M' greentint -9.884 1.292 -4.909 {"}'M' greentint -9.372 1.869 -4.63 {"}'M' greentint -9.487 1.638 -4.64 {"}'M' greentint -9.642 1.433 -4.649 {"}'M' greentint -9.832 1.26 -4.657 {"}'M' greentint -9.369 1.865 -4.372 {"}'M' greentint -9.482 1.634 -4.382 {"}'M' greentint -9.636 1.428 -4.391 {"}'M' greentint -9.825 1.254 -4.398 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n phe C 140 1pk6C_142Y_177}P -11.328 -1.664 1.362 {"}-11.328 -1.664 1.362 { ca phe C 140 1pk6C_142Y_177}-10.951 -2.145 0.03 { c phe C 140 1pk6C_142Y_177}-10.668 -0.919 -0.835 { o phe C 140 1pk6C_142Y_177}-11.414 0.064 -0.793 { c phe C 140 1pk6C_142Y_177}P -10.668 -0.919 -0.835 { n val C 141 1pk6C_142Y_177}-9.584 -0.983 -1.6 { ca val C 141 1pk6C_142Y_177}-9.188 0.118 -2.464 { c val C 141 1pk6C_142Y_177}-8.436 -0.429 -3.686 { o val C 141 1pk6C_142Y_177}-7.78 -1.481 -3.617 { c val C 141 1pk6C_142Y_177}P -8.436 -0.429 -3.686 { n tyr C 142 1pk6C_142Y_177}-8.57 0.259 -4.815 { ca tyr C 142 1pk6C_142Y_177}-7.888 -0.16 -6.028 { c tyr C 142 1pk6C_142Y_177}-7.456 1.081 -6.805 { o tyr C 142 1pk6C_142Y_177}-8.023 2.165 -6.634 { c tyr C 142 1pk6C_142Y_177}P -7.456 1.081 -6.805 { n his C 143 1pk6C_142Y_177}-6.432 0.905 -7.636 { ca his C 143 1pk6C_142Y_177}-5.902 1.949 -8.508 { c his C 143 1pk6C_142Y_177}-5.62 1.2 -9.81 { o his C 143 1pk6C_142Y_177}-4.65 0.436 -9.901 { c his C 143 1pk6C_142Y_177}P -5.62 1.2 -9.81 { n ala C 144 1pk6C_142Y_177}-6.48 1.414 -10.804 { ca ala C 144 1pk6C_142Y_177}-6.373 0.742 -12.105 { c ala C 144 1pk6C_142Y_177}-5.976 1.667 -13.257 { o ala C 144 1pk6C_142Y_177}-6.664 2.656 -13.531 { n asn C 175 1pk6C_142Y_177}P -7.748 4.983 -12.606 {"}-7.748 4.983 -12.606 { ca asn C 175 1pk6C_142Y_177}-9.099 4.934 -12.075 { c asn C 175 1pk6C_142Y_177}-8.947 4.419 -10.634 { o asn C 175 1pk6C_142Y_177}-8.338 3.357 -10.408 { c asn C 175 1pk6C_142Y_177}P -8.947 4.419 -10.634 { n ser C 176 1pk6C_142Y_177}-9.479 5.159 -9.669 { ca ser C 176 1pk6C_142Y_177}-9.372 4.722 -8.284 { c ser C 176 1pk6C_142Y_177}-10.739 4.598 -7.635 { o ser C 176 1pk6C_142Y_177}-11.719 5.252 -8.036 { c ser C 176 1pk6C_142Y_177}P -10.739 4.598 -7.635 { n gly C 177 1pk6C_142Y_177}-10.797 3.746 -6.621 { ca gly C 177 1pk6C_142Y_177}-12.039 3.526 -5.92 { c gly C 177 1pk6C_142Y_177}-11.788 2.783 -4.625 { o gly C 177 1pk6C_142Y_177}-10.755 2.105 -4.467 { c gly C 177 1pk6C_142Y_177}P -11.788 2.783 -4.625 { n gly C 178 1pk6C_142Y_177}-12.738 2.898 -3.704 { ca gly C 178 1pk6C_142Y_177}-12.596 2.237 -2.422 { c gly C 178 1pk6C_142Y_177}-13.823 2.348 -1.544 { o gly C 178 1pk6C_142Y_177}-14.676 3.218 -1.749 { c gly C 178 1pk6C_142Y_177}P -13.823 2.348 -1.544 { n val C 179 1pk6C_142Y_177}-13.898 1.47 -0.546 { ca val C 179 1pk6C_142Y_177}-15.051 1.449 0.346 { c val C 179 1pk6C_142Y_177}-14.785 0.641 1.619 { o val C 179 1pk6C_142Y_177}-14.004 -0.322 1.608 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n phe C 140 1pk6C_142Y_177}P -11.328 -1.664 1.362 { ca phe C 140 1pk6C_142Y_177}P -10.951 -2.145 0.03 { n val C 141 1pk6C_142Y_177}P -9.584 -0.983 -1.6 { ca val C 141 1pk6C_142Y_177}P -9.188 0.118 -2.464 { n tyr C 142 1pk6C_142Y_177}P -8.57 0.259 -4.815 { ca tyr C 142 1pk6C_142Y_177}P -7.888 -0.16 -6.028 { n his C 143 1pk6C_142Y_177}P -6.432 0.905 -7.636 { ca his C 143 1pk6C_142Y_177}P -5.902 1.949 -8.508 { n ala C 144 1pk6C_142Y_177}P -6.48 1.414 -10.804 { ca ala C 144 1pk6C_142Y_177}P -6.373 0.742 -12.105 { n asn C 175 1pk6C_142Y_177}P -7.748 4.983 -12.606 { ca asn C 175 1pk6C_142Y_177}P -9.099 4.934 -12.075 { n ser C 176 1pk6C_142Y_177}P -9.479 5.159 -9.669 { ca ser C 176 1pk6C_142Y_177}P -9.372 4.722 -8.284 { n gly C 177 1pk6C_142Y_177}P -10.797 3.746 -6.621 { ca gly C 177 1pk6C_142Y_177}P -12.039 3.526 -5.92 {"}P -12.039 3.526 -5.92 { n gly C 178 1pk6C_142Y_177}P -12.738 2.898 -3.704 { ca gly C 178 1pk6C_142Y_177}P -12.596 2.237 -2.422 {"}P -12.596 2.237 -2.422 { n val C 179 1pk6C_142Y_177}P -13.898 1.47 -0.546 { ca val C 179 1pk6C_142Y_177}P -15.051 1.449 0.346 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca phe C 140 1pk6C_142Y_177}P -10.951 -2.145 0.03 {"}-10.951 -2.145 0.03 { ca val C 141 1pk6C_142Y_177}-9.188 0.118 -2.464 { ca tyr C 142 1pk6C_142Y_177}-7.888 -0.16 -6.028 { ca his C 143 1pk6C_142Y_177}-5.902 1.949 -8.508 { ca ala C 144 1pk6C_142Y_177}-6.373 0.742 -12.105 { ca asn C 175 1pk6C_142Y_177}P -9.099 4.934 -12.075 {"}-9.099 4.934 -12.075 { ca ser C 176 1pk6C_142Y_177}-9.372 4.722 -8.284 { ca gly C 177 1pk6C_142Y_177}-12.039 3.526 -5.92 { ca gly C 178 1pk6C_142Y_177}-12.596 2.237 -2.422 { ca val C 179 1pk6C_142Y_177}-15.051 1.449 0.346 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca phe C 140 1pk6C_142Y_177}P -10.951 -2.145 0.03 { ca val C 141 1pk6C_142Y_177}P -9.188 0.118 -2.464 { ca tyr C 142 1pk6C_142Y_177}P -7.888 -0.16 -6.028 { cb tyr C 142 1pk6C_142Y_177}-8.816 -1.006 -6.906 { cg tyr C 142 1pk6C_142Y_177}-9.93 -0.223 -7.564 { cd1 tyr C 142 1pk6C_142Y_177}-9.701 0.511 -8.742 { ce1 tyr C 142 1pk6C_142Y_177}-10.691 1.313 -9.284 { cz tyr C 142 1pk6C_142Y_177}-11.922 1.396 -8.657 { oh tyr C 142 1pk6C_142Y_177}-12.895 2.207 -9.187 { cg tyr C 142 1pk6C_142Y_177}P -9.93 -0.223 -7.564 { cd2 tyr C 142 1pk6C_142Y_177}-11.18 -0.128 -6.96 { ce2 tyr C 142 1pk6C_142Y_177}-12.176 0.672 -7.494 { cz tyr C 142 1pk6C_142Y_177}ghost -11.922 1.396 -8.657 { ca his C 143 1pk6C_142Y_177}P -5.902 1.949 -8.508 { ca ala C 144 1pk6C_142Y_177}P -6.373 0.742 -12.105 { ca asn C 175 1pk6C_142Y_177}P -9.099 4.934 -12.075 { ca ser C 176 1pk6C_142Y_177}P -9.372 4.722 -8.284 { ca val C 179 1pk6C_142Y_177}P -15.051 1.449 0.346 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr C 142 1pk6C_142Y_177}P -8.816 -1.006 -6.906 {"}P -8.816 -1.006 -6.906 { cd1 tyr C 142 1pk6C_142Y_177}P -9.701 0.511 -8.742 { cd2 tyr C 142 1pk6C_142Y_177}P -11.18 -0.128 -6.96 { ce1 tyr C 142 1pk6C_142Y_177}P -10.691 1.313 -9.284 { ce2 tyr C 142 1pk6C_142Y_177}P -12.176 0.672 -7.494 { oh tyr C 142 1pk6C_142Y_177}P -12.895 2.207 -9.187 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr C 142 1pk6C_142Y_177}P -7.888 -0.16 -6.028 { cb tyr C 142 1pk6C_142Y_177}-8.816 -1.006 -6.906 { cg tyr C 142 1pk6C_142Y_177}-9.93 -0.223 -7.564 { cd1 tyr C 142 1pk6C_142Y_177}-9.701 0.511 -8.742 { ce1 tyr C 142 1pk6C_142Y_177}-10.691 1.313 -9.284 { cz tyr C 142 1pk6C_142Y_177}-11.922 1.396 -8.657 { oh tyr C 142 1pk6C_142Y_177}-12.895 2.207 -9.187 { cg tyr C 142 1pk6C_142Y_177}P -9.93 -0.223 -7.564 { cd2 tyr C 142 1pk6C_142Y_177}-11.18 -0.128 -6.96 { ce2 tyr C 142 1pk6C_142Y_177}-12.176 0.672 -7.494 { cz tyr C 142 1pk6C_142Y_177}ghost -11.922 1.396 -8.657 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr C 142 1pk6C_142Y_177}P -8.816 -1.006 -6.906 {"}P -8.816 -1.006 -6.906 { cd1 tyr C 142 1pk6C_142Y_177}P -9.701 0.511 -8.742 { cd2 tyr C 142 1pk6C_142Y_177}P -11.18 -0.128 -6.96 { ce1 tyr C 142 1pk6C_142Y_177}P -10.691 1.313 -9.284 { ce2 tyr C 142 1pk6C_142Y_177}P -12.176 0.672 -7.494 { oh tyr C 142 1pk6C_142Y_177}P -12.895 2.207 -9.187 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HE2 TYR 142 C}'P' sky -13.41 1.656 -6.705 {"}'P' blue -13.361 1.555 -6.468 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 142 C}'P' green -12.867 1.804 -6.352 { CZ TYR 142 C}'P' sea -13.016 2.405 -7.737 {"}'P' green -12.823 2.575 -7.73 {"}'P' green -12.604 2.71 -7.724 {"}'P' green -12.366 2.806 -7.72 {"}'P' green -12.115 2.86 -7.717 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 TYR 142 C}'P' P -13.056 2.172 -7.298 {"}'P' -13.044 2.152 -7.3 {"}'P' P -12.821 2.286 -7.293 {"}'P' -12.789 2.206 -7.303 {"}'P' P -12.572 2.364 -7.289 {"}'P' -12.548 2.259 -7.302 {"}'P' P -13.103 2.086 -7.042 {"}'P' -13.074 2.041 -7.057 {"}'P' P -12.874 2.21 -7.037 {"}'P' -12.819 2.089 -7.073 {"}'P' P -12.628 2.299 -7.033 {"}'P' -12.582 2.133 -7.08 {"}'P' P -12.372 2.348 -7.031 {"}'P' -12.354 2.193 -7.074 {"}'P' P -12.111 2.358 -7.031 {"}'P' -12.114 2.266 -7.056 {"}'P' P -13.14 1.956 -6.798 {"}'P' -13.121 1.931 -6.812 {"}'P' P -12.923 2.09 -6.792 {"}'P' -12.868 1.986 -6.844 {"}'P' P -12.687 2.189 -6.788 {"}'P' -12.632 2.027 -6.863 {"}'P' P -12.439 2.25 -6.785 {"}'P' -12.41 2.079 -6.862 {"}'P' P -12.184 2.272 -6.784 {"}'P' -12.184 2.148 -6.839 {"}'P' P -13.077 1.851 -6.567 {"}'P' -13.073 1.845 -6.572 {"}'P' P -12.858 1.986 -6.561 {"}'P' -12.82 1.911 -6.614 {"}'P' P -12.62 2.082 -6.557 {"}'P' -12.582 1.962 -6.636 {"}'P' P -12.369 2.136 -6.554 {"}'P' -12.353 2.018 -6.63 {"}'P' P -12.631 1.913 -6.348 {"}'P' -12.617 1.875 -6.383 {"}'P' P -12.379 1.976 -6.345 {"}'P' -12.372 1.933 -6.383 { CZ TYR 142 C}'P' P -12.824 2.376 -7.522 {"}'P' -12.813 2.364 -7.536 {"}'P' P -12.613 2.528 -7.515 {"}'P' -12.591 2.491 -7.553 {"}'P' P -12.377 2.637 -7.511 {"}'P' -12.364 2.6 -7.545 {"}'P' P -12.125 2.7 -7.508 {"}'P' -12.124 2.695 -7.513 {"}'P' P -12.363 2.445 -7.327 {"}'P' -12.34 2.392 -7.395 {"}'P' P -12.115 2.514 -7.324 {"}'P' -12.109 2.484 -7.36 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 142 C}'P' blue -12.711 3.086 -8.113 {"}'P' blue -13.264 2.793 -7.97 {"}'P' sky -13.023 2.88 -7.966 {"}'P' blue -13.337 2.395 -7.872 {"}'P' sky -13.155 2.583 -7.864 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 142 C}'P' sea -12.767 2.88 -7.966 {"}'P' sea -12.903 2.655 -7.861 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 177 C}'P' sky -12.729 3 -7.724 {"}'P' sky -12.989 2.999 -7.695 {"}'P' sky -13.164 2.734 -7.62 {"}'P' blue -13.237 2.987 -7.608 {"}'P' blue -13.288 2.52 -7.489 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 177 C}'P' green -12.599 2.774 -7.704 {"}'P' sea -12.859 2.774 -7.704 {"}'P' sea -12.469 2.999 -7.695 {"}'P' green -12.975 2.552 -7.627 {"}'P' sea -12.221 3.003 -7.608 {"}'P' sea -13.094 2.358 -7.496 {"}'P' green -13.217 1.93 -6.86 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 177 C}'P' P -12.285 2.749 -7.619 {"}'P' -12.286 2.749 -7.616 {"}'P' P -12.468 2.56 -7.627 {"}'P' -12.479 2.577 -7.58 {"}'P' P -12.721 2.488 -7.63 {"}'P' -12.721 2.498 -7.606 {"}'P' P -12.17 2.52 -7.489 {"}'P' -12.196 2.541 -7.445 {"}'P' P -12.364 2.358 -7.496 {"}'P' -12.392 2.403 -7.424 {"}'P' P -12.602 2.271 -7.5 {"}'P' -12.61 2.314 -7.44 {"}'P' P -12.856 2.271 -7.5 {"}'P' -12.854 2.278 -7.49 {"}'P' P -12.124 2.296 -7.314 {"}'P' -12.155 2.329 -7.275 {"}'P' P -12.341 2.153 -7.32 {"}'P' -12.383 2.238 -7.238 {"}'P' P -12.591 2.077 -7.323 {"}'P' -12.607 2.18 -7.233 {"}'P' P -12.851 2.075 -7.323 {"}'P' -12.841 2.144 -7.263 {"}'P' P -13.101 2.146 -7.32 {"}'P' -13.101 2.146 -7.32 {"}'P' P -12.13 2.104 -7.1 {"}'P' -12.198 2.2 -7.039 {"}'P' P -12.355 1.986 -7.105 {"}'P' -12.414 2.138 -7.019 {"}'P' P -12.602 1.926 -7.108 {"}'P' -12.622 2.088 -7.02 {"}'P' P -12.856 1.926 -7.108 {"}'P' -12.841 2.045 -7.043 {"}'P' P -13.103 1.986 -7.105 {"}'P' -13.088 2.026 -7.083 {"}'P' P -12.227 1.937 -6.86 {"}'P' -12.298 2.082 -6.816 {"}'P' P -12.467 1.851 -6.864 {"}'P' -12.51 2.03 -6.813 {"}'P' P -12.721 1.821 -6.865 {"}'P' -12.722 1.981 -6.821 {"}'P' P -12.975 1.848 -6.864 {"}'P' -12.954 1.939 -6.838 {"}'P' P -12.181 1.916 -6.6 {"}'P' -12.232 2.012 -6.596 {"}'P' P -12.416 1.823 -6.604 {"}'P' -12.453 1.955 -6.598 {"}'P' P -12.666 1.782 -6.606 {"}'P' -12.672 1.905 -6.601 {"}'P' P -12.918 1.796 -6.605 {"}'P' -12.907 1.863 -6.602 {"}'P' P -12.467 1.828 -6.343 {"}'P' -12.478 1.873 -6.352 {"}'P' P -12.721 1.798 -6.345 {"}'P' -12.721 1.823 -6.349 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 142 C}'M' sea -9.317 2.553 -7.001 {"}'M' green -9.224 2.791 -6.99 {"}'M' sea -9.086 3.007 -6.981 {"}'M' green -9.393 2.427 -6.752 {"}'M' green -9.053 3.109 -6.722 {"}'M' sea -8.863 3.282 -6.715 {"}'M' sea -9.417 2.151 -6.505 {"}'M' green -9.395 2.407 -6.494 {"}'M' sea -8.87 3.266 -6.457 {"}'M' green -9.363 2.276 -6.246 {"}'M' green -8.905 3.165 -6.207 {"}'M' sea -9.271 2.256 -6.005 {"}'M' green -9.221 2.505 -5.995 {"}'M' green -9.123 2.738 -5.984 {"}'M' green -8.979 2.947 -5.975 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 142 C}'M' greentint -9.323 2.674 -6.741 {"}'M' greentint -9.208 2.904 -6.731 {"}'M' greentint -9.326 2.655 -6.483 {"}'M' greentint -9.213 2.886 -6.473 {"}'M' greentint -9.059 3.092 -6.464 {"}'M' greentint -9.315 2.527 -6.235 {"}'M' greentint -9.22 2.765 -6.224 {"}'M' greentint -9.081 2.98 -6.215 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 177 C}'M' sea -9.362 2.992 -7 {"}'M' sea -9.498 2.771 -7.009 {"}'M' green -9.191 2.991 -6.792 {"}'M' green -9.301 2.757 -6.803 {"}'M' green -9.475 2.567 -6.811 {"}'M' sea -9.155 3.246 -6.781 {"}'M' green -9.538 2.392 -6.577 {"}'M' green -9.055 3.227 -6.541 {"}'M' green -9.478 2.377 -6.319 {"}'M' green -9.021 3.224 -6.282 {"}'M' green -9.088 2.955 -6.034 {"}'M' green -9.184 2.722 -6.044 {"}'M' green -9.338 2.522 -6.053 {"}'M' sea -9.538 2.369 -6.06 {"}'M' sea -9.055 3.205 -6.023 {"}'M' sea -9.191 2.947 -5.793 {"}'M' sea -9.301 2.714 -5.803 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 177 C}'M' greentint -9.088 2.978 -6.551 {"}'M' greentint -9.184 2.745 -6.562 {"}'M' greentint -9.338 2.545 -6.57 {"}'M' greentint -9.05 2.975 -6.293 {"}'M' greentint -9.141 2.742 -6.303 {"}'M' greentint -9.287 2.538 -6.312 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 142 C}'M' greentint -10.094 1.095 -5.169 {"}'M' greentint -10.061 1.345 -5.158 {"}'M' greentint -9.965 1.578 -5.148 {"}'M' greentint -9.811 1.778 -5.139 {"}'M' greentint -9.611 1.931 -5.132 {"}'M' greentint -10.119 0.951 -4.916 {"}'M' greentint -10.121 1.201 -4.905 {"}'M' greentint -10.061 1.444 -4.894 {"}'M' greentint -9.942 1.665 -4.885 {"}'M' greentint -9.772 1.849 -4.877 {"}'M' greentint -9.561 1.985 -4.871 {"}'M' greentint -10.094 1.073 -4.651 {"}'M' greentint -10.061 1.322 -4.641 {"}'M' greentint -9.965 1.555 -4.63 {"}'M' greentint -9.811 1.755 -4.622 {"}'M' greentint -9.611 1.908 -4.615 {"}'M' greentint -9.378 2.005 -4.611 {"}'M' greentint -9.986 1.183 -4.405 {"}'M' greentint -9.912 1.43 -4.394 {"}'M' greentint -9.768 1.645 -4.385 {"}'M' greentint -9.568 1.807 -4.378 {"}'M' greentint -9.823 1.183 -4.198 {"}'M' greentint -9.729 1.425 -4.187 {"}'M' greentint -9.554 1.617 -4.179 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 177 C}'M' greentint -9.753 1.648 -5.331 {"}'M' greentint -9.894 1.431 -5.341 {"}'M' greentint -9.527 1.88 -5.101 {"}'M' greentint -9.603 1.638 -5.112 {"}'M' greentint -9.726 1.417 -5.122 {"}'M' greentint -9.892 1.225 -5.13 {"}'M' greentint -10.092 1.07 -5.137 {"}'M' greentint -9.431 1.875 -4.861 {"}'M' greentint -9.502 1.629 -4.871 {"}'M' greentint -9.618 1.401 -4.881 {"}'M' greentint -9.775 1.199 -4.89 {"}'M' greentint -9.967 1.031 -4.897 {"}'M' greentint -9.385 1.855 -4.607 {"}'M' greentint -9.455 1.608 -4.618 {"}'M' greentint -9.57 1.377 -4.628 {"}'M' greentint -9.725 1.172 -4.637 {"}'M' greentint -9.915 0.999 -4.645 {"}'M' greentint -9.383 1.852 -4.349 {"}'M' greentint -9.452 1.604 -4.36 {"}'M' greentint -9.565 1.373 -4.37 {"}'M' greentint -9.719 1.167 -4.379 {"}'M' greentint -9.908 0.993 -4.386 {"}'M' greentint -9.622 1.361 -4.116 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n glu A 36 1pkoA_99F_38G}P -8.064 5.181 -12.528 {"}-8.064 5.181 -12.528 { ca glu A 36 1pkoA_99F_38G}-9.366 4.996 -11.906 { c glu A 36 1pkoA_99F_38G}-8.978 4.582 -10.483 { o glu A 36 1pkoA_99F_38G}-8.157 3.676 -10.277 { c glu A 36 1pkoA_99F_38G}P -8.978 4.582 -10.483 { n val A 37 1pkoA_99F_38G}-9.551 5.249 -9.489 { ca val A 37 1pkoA_99F_38G}-9.197 4.963 -8.093 { c val A 37 1pkoA_99F_38G}-10.521 4.798 -7.392 { o val A 37 1pkoA_99F_38G}-11.388 5.669 -7.456 { c val A 37 1pkoA_99F_38G}P -10.521 4.798 -7.392 { n gly A 38 1pkoA_99F_38G}-10.685 3.664 -6.725 { ca gly A 38 1pkoA_99F_38G}-11.961 3.435 -6.069 { c gly A 38 1pkoA_99F_38G}-11.858 2.759 -4.738 { o gly A 38 1pkoA_99F_38G}-10.825 2.222 -4.349 { c gly A 38 1pkoA_99F_38G}P -11.858 2.759 -4.738 { n trp A 39 1pkoA_99F_38G}-12.982 2.828 -4.039 { ca trp A 39 1pkoA_99F_38G}-13.108 2.208 -2.736 { c trp A 39 1pkoA_99F_38G}-14.403 1.411 -2.719 { o trp A 39 1pkoA_99F_38G}-15.437 1.887 -3.18 { c trp A 39 1pkoA_99F_38G}P -14.403 1.411 -2.719 { n tyr A 40 1pkoA_99F_38G}-14.35 0.19 -2.211 { ca tyr A 40 1pkoA_99F_38G}-15.6 -0.552 -2.103 { c tyr A 40 1pkoA_99F_38G}-15.634 -1.314 -0.802 { o tyr A 40 1pkoA_99F_38G}-14.618 -1.44 -0.133 { n thr A 97 1pkoA_99F_38G}P -11.93 -1.977 0.606 {"}-11.93 -1.977 0.606 { ca thr A 97 1pkoA_99F_38G}-10.925 -2.317 -0.378 { c thr A 97 1pkoA_99F_38G}-10.695 -1.068 -1.242 { o thr A 97 1pkoA_99F_38G}-11.639 -0.465 -1.75 { c thr A 97 1pkoA_99F_38G}P -10.695 -1.068 -1.242 {"}P -10.695 -1.068 -1.242 { c acys A 98 1pkoA_99F_38G}P -8.32 -0.111 -3.418 { c bcys A 98 1pkoA_99F_38G}P -8.418 -0.158 -3.429 { c acys A 98 1pkoA_99F_38G}P -8.32 -0.111 -3.418 { c bcys A 98 1pkoA_99F_38G}P -8.418 -0.158 -3.429 { c acys A 98 1pkoA_99F_38G}P -8.32 -0.111 -3.418 { n phe A 99 1pkoA_99F_38G}-8.622 0.43 -4.591 { ca phe A 99 1pkoA_99F_38G}-7.956 -0.073 -5.797 { c phe A 99 1pkoA_99F_38G}-7.533 1.062 -6.688 { o phe A 99 1pkoA_99F_38G}-8.082 2.163 -6.629 { c bcys A 98 1pkoA_99F_38G}P -8.418 -0.158 -3.429 { n phe A 99 1pkoA_99F_38G}-8.622 0.43 -4.591 { c phe A 99 1pkoA_99F_38G}P -7.533 1.062 -6.688 { n phe A 100 1pkoA_99F_38G}-6.483 0.792 -7.457 { ca phe A 100 1pkoA_99F_38G}-5.978 1.723 -8.462 { c phe A 100 1pkoA_99F_38G}-5.926 0.926 -9.76 { o phe A 100 1pkoA_99F_38G}-5.369 -0.183 -9.787 { c phe A 100 1pkoA_99F_38G}P -5.926 0.926 -9.76 { n arg A 101 1pkoA_99F_38G}-6.495 1.49 -10.817 { ca arg A 101 1pkoA_99F_38G}-6.489 0.802 -12.092 { c arg A 101 1pkoA_99F_38G}-5.905 1.726 -13.152 { o arg A 101 1pkoA_99F_38G}-6.334 2.864 -13.333 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n glu A 36 1pkoA_99F_38G}P -8.064 5.181 -12.528 { ca glu A 36 1pkoA_99F_38G}P -9.366 4.996 -11.906 { n val A 37 1pkoA_99F_38G}P -9.551 5.249 -9.489 { ca val A 37 1pkoA_99F_38G}P -9.197 4.963 -8.093 { n gly A 38 1pkoA_99F_38G}P -10.685 3.664 -6.725 { ca gly A 38 1pkoA_99F_38G}P -11.961 3.435 -6.069 {"}P -11.961 3.435 -6.069 { n trp A 39 1pkoA_99F_38G}P -12.982 2.828 -4.039 { ca trp A 39 1pkoA_99F_38G}P -13.108 2.208 -2.736 { n tyr A 40 1pkoA_99F_38G}P -14.35 0.19 -2.211 { ca tyr A 40 1pkoA_99F_38G}P -15.6 -0.552 -2.103 { n thr A 97 1pkoA_99F_38G}P -11.93 -1.977 0.606 { ca thr A 97 1pkoA_99F_38G}P -10.925 -2.317 -0.378 { n phe A 99 1pkoA_99F_38G}P -8.622 0.43 -4.591 { ca phe A 99 1pkoA_99F_38G}P -7.956 -0.073 -5.797 { n phe A 100 1pkoA_99F_38G}P -6.483 0.792 -7.457 { ca phe A 100 1pkoA_99F_38G}P -5.978 1.723 -8.462 { n arg A 101 1pkoA_99F_38G}P -6.495 1.49 -10.817 { ca arg A 101 1pkoA_99F_38G}P -6.489 0.802 -12.092 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca glu A 36 1pkoA_99F_38G}P -9.366 4.996 -11.906 {"}-9.366 4.996 -11.906 { ca val A 37 1pkoA_99F_38G}-9.197 4.963 -8.093 { ca gly A 38 1pkoA_99F_38G}-11.961 3.435 -6.069 { ca trp A 39 1pkoA_99F_38G}-13.108 2.208 -2.736 { ca tyr A 40 1pkoA_99F_38G}-15.6 -0.552 -2.103 { ca thr A 97 1pkoA_99F_38G}P -10.925 -2.317 -0.378 {"}-10.925 -2.317 -0.378 {"}P -10.925 -2.317 -0.378 { ca phe A 99 1pkoA_99F_38G}P -7.956 -0.073 -5.797 {"}P -7.956 -0.073 -5.797 { ca phe A 100 1pkoA_99F_38G}-5.978 1.723 -8.462 { ca arg A 101 1pkoA_99F_38G}-6.489 0.802 -12.092 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca glu A 36 1pkoA_99F_38G}P -9.366 4.996 -11.906 { ca val A 37 1pkoA_99F_38G}P -9.197 4.963 -8.093 { ca trp A 39 1pkoA_99F_38G}P -13.108 2.208 -2.736 { ca tyr A 40 1pkoA_99F_38G}P -15.6 -0.552 -2.103 { ca thr A 97 1pkoA_99F_38G}P -10.925 -2.317 -0.378 { ca phe A 99 1pkoA_99F_38G}P -7.956 -0.073 -5.797 { cb phe A 99 1pkoA_99F_38G}-8.857 -1.039 -6.574 { cg phe A 99 1pkoA_99F_38G}-9.983 -0.376 -7.301 { cd1 phe A 99 1pkoA_99F_38G}-9.811 0.083 -8.611 { ce1 phe A 99 1pkoA_99F_38G}-10.874 0.654 -9.315 { cz phe A 99 1pkoA_99F_38G}-12.116 0.776 -8.727 { cg phe A 99 1pkoA_99F_38G}P -9.983 -0.376 -7.301 { cd2 phe A 99 1pkoA_99F_38G}-11.234 -0.248 -6.705 { ce2 phe A 99 1pkoA_99F_38G}-12.309 0.327 -7.41 { cz phe A 99 1pkoA_99F_38G}ghost -12.116 0.776 -8.727 { ca phe A 100 1pkoA_99F_38G}P -5.978 1.723 -8.462 { ca arg A 101 1pkoA_99F_38G}P -6.489 0.802 -12.092 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 99 1pkoA_99F_38G}P -8.857 -1.039 -6.574 {"}P -8.857 -1.039 -6.574 { cd1 phe A 99 1pkoA_99F_38G}P -9.811 0.083 -8.611 { cd2 phe A 99 1pkoA_99F_38G}P -11.234 -0.248 -6.705 { ce1 phe A 99 1pkoA_99F_38G}P -10.874 0.654 -9.315 { ce2 phe A 99 1pkoA_99F_38G}P -12.309 0.327 -7.41 { cz phe A 99 1pkoA_99F_38G}P -12.116 0.776 -8.727 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 99 1pkoA_99F_38G}P -7.956 -0.073 -5.797 { cb phe A 99 1pkoA_99F_38G}-8.857 -1.039 -6.574 { cg phe A 99 1pkoA_99F_38G}-9.983 -0.376 -7.301 { cd1 phe A 99 1pkoA_99F_38G}-9.811 0.083 -8.611 { ce1 phe A 99 1pkoA_99F_38G}-10.874 0.654 -9.315 { cz phe A 99 1pkoA_99F_38G}-12.116 0.776 -8.727 { cg phe A 99 1pkoA_99F_38G}P -9.983 -0.376 -7.301 { cd2 phe A 99 1pkoA_99F_38G}-11.234 -0.248 -6.705 { ce2 phe A 99 1pkoA_99F_38G}-12.309 0.327 -7.41 { cz phe A 99 1pkoA_99F_38G}ghost -12.116 0.776 -8.727 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 99 1pkoA_99F_38G}P -8.857 -1.039 -6.574 {"}P -8.857 -1.039 -6.574 { cd1 phe A 99 1pkoA_99F_38G}P -9.811 0.083 -8.611 { cd2 phe A 99 1pkoA_99F_38G}P -11.234 -0.248 -6.705 { ce1 phe A 99 1pkoA_99F_38G}P -10.874 0.654 -9.315 { ce2 phe A 99 1pkoA_99F_38G}P -12.309 0.327 -7.41 { cz phe A 99 1pkoA_99F_38G}P -12.116 0.776 -8.727 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CZ PHE 99 A}'P' sky -12.863 2.194 -8.025 {"}'P' sky -12.124 2.376 -8.017 {"}'P' sky -13.017 1.955 -7.8 {"}'P' sky -11.797 2.218 -7.788 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 99 A}'P' green -12.947 1.956 -7.47 {"}'P' green -11.921 2.032 -7.466 {"}'P' green -13.189 1.827 -7.214 {"}'P' green -13.236 1.741 -6.958 {"}'P' green -13.056 1.745 -6.708 {"}'P' green -12.991 1.641 -6.477 { CZ PHE 99 A}'P' sea -12.627 2.293 -8.021 {"}'P' sea -12.379 2.354 -8.018 {"}'P' green -12.798 2.09 -7.794 {"}'P' green -12.56 2.186 -7.79 {"}'P' green -12.309 2.24 -7.787 {"}'P' sea -12.052 2.251 -7.787 {"}'P' green -12.059 2.094 -7.577 {"}'P' sea -11.801 2.059 -7.579 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 PHE 99 A}'P' P -12.697 2.032 -7.466 {"}'P' -12.688 1.992 -7.465 {"}'P' P -12.439 2.071 -7.465 {"}'P' -12.435 2.019 -7.463 {"}'P' P -12.179 2.071 -7.465 {"}'P' -12.18 2.053 -7.464 {"}'P' P -12.954 1.941 -7.209 {"}'P' -12.935 1.894 -7.214 {"}'P' P -12.705 2.019 -7.205 {"}'P' -12.68 1.909 -7.219 {"}'P' P -12.448 2.059 -7.203 {"}'P' -12.438 1.932 -7.219 {"}'P' P -12.187 2.06 -7.203 {"}'P' -12.193 1.97 -7.214 {"}'P' P -11.929 2.023 -7.205 {"}'P' -11.931 2.011 -7.206 {"}'P' P -13.007 1.865 -6.953 {"}'P' -12.987 1.821 -6.966 {"}'P' P -12.761 1.954 -6.949 {"}'P' -12.728 1.835 -6.983 {"}'P' P -12.505 2.003 -6.947 {"}'P' -12.487 1.852 -6.989 {"}'P' P -12.244 2.013 -6.947 {"}'P' -12.248 1.888 -6.981 {"}'P' P -11.984 1.983 -6.948 {"}'P' -11.994 1.933 -6.962 {"}'P' P -12.82 1.844 -6.704 {"}'P' -12.796 1.773 -6.737 {"}'P' P -12.572 1.905 -6.701 {"}'P' -12.553 1.793 -6.752 {"}'P' P -12.317 1.927 -6.7 {"}'P' -12.317 1.822 -6.747 {"}'P' P -12.062 1.908 -6.701 {"}'P' -12.07 1.859 -6.723 {"}'P' P -12.753 1.737 -6.473 {"}'P' -12.748 1.72 -6.484 {"}'P' P -12.502 1.791 -6.47 {"}'P' -12.496 1.749 -6.497 {"}'P' P -12.245 1.802 -6.47 {"}'P' -12.246 1.777 -6.485 { CZ PHE 99 A}'P' P -12.319 2.08 -7.578 {"}'P' -12.318 2.077 -7.58 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 38 A}'P' sky -12.465 2.65 -7.878 {"}'P' sky -12.151 2.625 -7.793 {"}'P' sky -12.841 2.428 -7.801 {"}'P' sky -11.821 2.37 -7.479 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 38 A}'P' sea -12.334 2.436 -7.801 {"}'P' green -12.587 2.364 -7.804 {"}'P' sea -12.036 2.396 -7.663 {"}'P' green -12.23 2.234 -7.67 {"}'P' green -12.468 2.147 -7.674 {"}'P' green -12.722 2.147 -7.674 {"}'P' sea -12.96 2.234 -7.67 {"}'P' green -11.99 2.172 -7.488 {"}'P' green -12.967 2.022 -7.494 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 38 A}'P' P -12.207 2.029 -7.494 {"}'P' -12.215 2.044 -7.48 {"}'P' P -12.457 1.953 -7.497 {"}'P' -12.463 1.996 -7.46 {"}'P' P -12.717 1.951 -7.497 {"}'P' -12.713 1.978 -7.473 {"}'P' P -11.996 1.98 -7.274 {"}'P' -12.012 2.003 -7.26 {"}'P' P -12.221 1.862 -7.279 {"}'P' -12.254 1.947 -7.231 {"}'P' P -12.468 1.802 -7.282 {"}'P' -12.482 1.916 -7.22 {"}'P' P -12.722 1.802 -7.282 {"}'P' -12.71 1.895 -7.231 {"}'P' P -12.969 1.862 -7.279 {"}'P' -12.957 1.893 -7.262 {"}'P' P -11.877 1.95 -7.028 {"}'P' -11.886 1.961 -7.024 {"}'P' P -12.093 1.813 -7.034 {"}'P' -12.136 1.9 -7.007 {"}'P' P -12.333 1.727 -7.038 {"}'P' -12.367 1.868 -6.998 {"}'P' P -12.587 1.697 -7.039 {"}'P' -12.588 1.843 -6.999 {"}'P' P -12.841 1.724 -7.038 {"}'P' -12.819 1.822 -7.01 {"}'P' P -13.083 1.806 -7.034 {"}'P' -13.074 1.823 -7.029 {"}'P' P -12.047 1.792 -6.774 {"}'P' -12.078 1.85 -6.772 {"}'P' P -12.282 1.699 -6.778 {"}'P' -12.314 1.814 -6.773 {"}'P' P -12.532 1.658 -6.78 {"}'P' -12.539 1.788 -6.774 {"}'P' P -12.784 1.672 -6.779 {"}'P' -12.769 1.766 -6.775 {"}'P' P -13.028 1.739 -6.776 {"}'P' -13.02 1.759 -6.776 {"}'P' P -12.333 1.704 -6.517 {"}'P' -12.345 1.756 -6.527 {"}'P' P -12.587 1.674 -6.519 {"}'P' -12.587 1.729 -6.529 {"}'P' P -12.841 1.701 -6.517 {"}'P' -12.838 1.714 -6.52 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 99 A}'M' green -9.278 2.565 -7.236 {"}'M' green -9.178 2.798 -7.226 {"}'M' green -9.28 2.503 -5.99 {"}'M' green -9.182 2.736 -5.979 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 99 A}'M' greentint -9.423 2.299 -7.007 {"}'M' greentint -9.376 2.551 -6.996 {"}'M' greentint -9.283 2.789 -6.985 {"}'M' greentint -9.145 3.005 -6.976 {"}'M' greentint -9.476 2.169 -6.758 {"}'M' greentint -9.452 2.425 -6.747 {"}'M' greentint -9.382 2.672 -6.736 {"}'M' greentint -9.267 2.902 -6.726 {"}'M' greentint -9.112 3.107 -6.717 {"}'M' greentint -9.476 2.149 -6.5 {"}'M' greentint -9.454 2.405 -6.489 {"}'M' greentint -9.385 2.653 -6.478 {"}'M' greentint -9.272 2.884 -6.468 {"}'M' greentint -9.118 3.09 -6.459 {"}'M' greentint -9.422 2.274 -6.241 {"}'M' greentint -9.374 2.525 -6.23 {"}'M' greentint -9.279 2.763 -6.219 {"}'M' greentint -9.14 2.978 -6.21 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 38 A}'M' green -9.138 2.968 -7.128 {"}'M' green -9.071 3.199 -6.877 {"}'M' green -9.037 3.194 -6.618 {"}'M' green -9.071 3.176 -6.36 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 38 A}'M' greentint -9.174 2.713 -7.139 {"}'M' greentint -9.284 2.479 -7.15 {"}'M' greentint -9.071 2.7 -6.898 {"}'M' greentint -9.167 2.467 -6.909 {"}'M' greentint -9.321 2.267 -6.917 {"}'M' greentint -9.038 2.949 -6.888 {"}'M' greentint -9.033 2.697 -6.64 {"}'M' greentint -9.124 2.464 -6.65 {"}'M' greentint -9.27 2.26 -6.659 {"}'M' greentint -9.461 2.099 -6.666 {"}'M' greentint -9.004 2.946 -6.629 {"}'M' greentint -9.071 2.677 -6.381 {"}'M' greentint -9.167 2.444 -6.391 {"}'M' greentint -9.321 2.244 -6.4 {"}'M' greentint -9.038 2.927 -6.37 {"}'M' greentint -9.174 2.669 -6.14 {"}'M' greentint -9.284 2.436 -6.15 {"}'M' greentint -9.138 2.924 -6.129 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H APHE 99 A}'M' greentint -10.063 1.56 -5.218 {"}'M' greentint -9.919 1.774 -5.209 {"}'M' greentint -10.245 1.181 -4.994 {"}'M' greentint -10.212 1.431 -4.983 {"}'M' greentint -10.116 1.664 -4.973 {"}'M' greentint -9.962 1.864 -4.964 {"}'M' greentint -9.762 2.017 -4.957 {"}'M' greentint -10.27 1.037 -4.741 {"}'M' greentint -10.272 1.287 -4.73 {"}'M' greentint -10.212 1.53 -4.719 {"}'M' greentint -10.093 1.751 -4.71 {"}'M' greentint -9.923 1.935 -4.702 {"}'M' greentint -9.712 2.071 -4.696 {"}'M' greentint -9.474 2.15 -4.692 {"}'M' greentint -10.245 1.159 -4.476 {"}'M' greentint -10.212 1.408 -4.466 {"}'M' greentint -10.116 1.641 -4.455 {"}'M' greentint -9.962 1.841 -4.447 {"}'M' greentint -9.762 1.994 -4.44 {"}'M' greentint -9.529 2.091 -4.436 {"}'M' greentint -10.134 1.011 -4.241 {"}'M' greentint -10.137 1.269 -4.23 {"}'M' greentint -10.063 1.516 -4.219 {"}'M' greentint -9.919 1.731 -4.21 {"}'M' greentint -9.719 1.893 -4.203 {"}'M' greentint -9.48 1.99 -4.199 {"}'M' greentint -9.974 1.269 -4.023 {"}'M' greentint -9.88 1.511 -4.012 {"}'M' greentint -9.705 1.703 -4.004 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 38 A}'M' greentint -9.823 1.765 -5.213 {"}'M' greentint -9.964 1.548 -5.223 {"}'M' greentint -9.597 1.997 -4.983 {"}'M' greentint -9.673 1.755 -4.994 {"}'M' greentint -9.796 1.534 -5.004 {"}'M' greentint -9.962 1.342 -5.012 {"}'M' greentint -10.162 1.187 -5.019 {"}'M' greentint -9.501 1.992 -4.743 {"}'M' greentint -9.572 1.746 -4.753 {"}'M' greentint -9.688 1.518 -4.763 {"}'M' greentint -9.845 1.316 -4.772 {"}'M' greentint -10.037 1.148 -4.779 {"}'M' greentint -10.258 1.018 -4.785 {"}'M' greentint -9.455 1.972 -4.489 {"}'M' greentint -9.525 1.725 -4.5 {"}'M' greentint -9.64 1.494 -4.51 {"}'M' greentint -9.795 1.289 -4.519 {"}'M' greentint -9.985 1.116 -4.527 {"}'M' greentint -10.204 0.981 -4.532 {"}'M' greentint -9.453 1.969 -4.231 {"}'M' greentint -9.522 1.721 -4.242 {"}'M' greentint -9.635 1.49 -4.252 {"}'M' greentint -9.789 1.284 -4.261 {"}'M' greentint -9.978 1.11 -4.268 {"}'M' greentint -9.575 1.705 -3.988 {"}'M' greentint -9.692 1.478 -3.998 {"}'M' greentint -9.85 1.277 -4.007 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n phe A 44 1pl3A_119F_46G}P -7.676 5.481 -12.633 {"}-7.676 5.481 -12.633 { ca phe A 44 1pl3A_119F_46G}-8.445 6.002 -11.51 { c phe A 44 1pl3A_119F_46G}-8.239 5.155 -10.282 { o phe A 44 1pl3A_119F_46G}-7.637 4.06 -10.328 { c phe A 44 1pl3A_119F_46G}P -8.239 5.155 -10.282 { n ile A 45 1pl3A_119F_46G}-8.701 5.688 -9.168 { ca ile A 45 1pl3A_119F_46G}-8.684 5.006 -7.893 { c ile A 45 1pl3A_119F_46G}-10.111 4.797 -7.439 { o ile A 45 1pl3A_119F_46G}-10.974 5.698 -7.577 { c ile A 45 1pl3A_119F_46G}P -10.111 4.797 -7.439 { n gly A 46 1pl3A_119F_46G}-10.381 3.595 -6.909 { ca gly A 46 1pl3A_119F_46G}-11.688 3.348 -6.351 { c gly A 46 1pl3A_119F_46G}-11.688 2.736 -5 { o gly A 46 1pl3A_119F_46G}-10.641 2.419 -4.472 { c gly A 46 1pl3A_119F_46G}P -11.688 2.736 -5 { n glu A 47 1pl3A_119F_46G}-12.879 2.573 -4.423 { ca glu A 47 1pl3A_119F_46G}-13.052 1.777 -3.224 { c glu A 47 1pl3A_119F_46G}-14.416 1.106 -3.175 { o glu A 47 1pl3A_119F_46G}-15.406 1.6 -3.723 { c glu A 47 1pl3A_119F_46G}P -14.416 1.106 -3.175 { n val A 48 1pl3A_119F_46G}-14.437 -0.063 -2.578 { ca val A 48 1pl3A_119F_46G}-15.667 -0.753 -2.197 { c val A 48 1pl3A_119F_46G}-15.547 -0.926 -0.686 { o val A 48 1pl3A_119F_46G}-14.559 -1.419 -0.219 { n trp A 117 1pl3A_119F_46G}P -11.94 -2.227 0.241 {"}-11.94 -2.227 0.241 { ca trp A 117 1pl3A_119F_46G}-11.021 -2.423 -0.845 { c trp A 117 1pl3A_119F_46G}-10.752 -1.121 -1.517 { o trp A 117 1pl3A_119F_46G}-11.643 -0.557 -2.095 { c trp A 117 1pl3A_119F_46G}P -10.752 -1.121 -1.517 { n val A 118 1pl3A_119F_46G}-9.523 -0.627 -1.376 { ca val A 118 1pl3A_119F_46G}-9.067 0.573 -2.039 { c val A 118 1pl3A_119F_46G}-8.064 0.207 -3.113 { o val A 118 1pl3A_119F_46G}-7.034 -0.447 -2.834 { c val A 118 1pl3A_119F_46G}P -8.064 0.207 -3.113 { n phe A 119 1pl3A_119F_46G}-8.357 0.641 -4.33 { ca phe A 119 1pl3A_119F_46G}-7.644 0.141 -5.503 { c phe A 119 1pl3A_119F_46G}-7.301 1.203 -6.503 { o phe A 119 1pl3A_119F_46G}-7.949 2.224 -6.604 { c phe A 119 1pl3A_119F_46G}P -7.301 1.203 -6.503 { n arg A 120 1pl3A_119F_46G}-6.232 0.914 -7.243 { ca arg A 120 1pl3A_119F_46G}-5.831 1.657 -8.41 { c arg A 120 1pl3A_119F_46G}-6.112 0.785 -9.621 { o arg A 120 1pl3A_119F_46G}-5.791 -0.421 -9.661 { c arg A 120 1pl3A_119F_46G}P -6.112 0.785 -9.621 { n cys A 121 1pl3A_119F_46G}-6.747 1.388 -10.599 { ca cys A 121 1pl3A_119F_46G}-7.09 0.734 -11.849 { c cys A 121 1pl3A_119F_46G}-6.389 1.493 -12.987 { o cys A 121 1pl3A_119F_46G}-6.824 2.532 -13.404 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n phe A 44 1pl3A_119F_46G}P -7.676 5.481 -12.633 { ca phe A 44 1pl3A_119F_46G}P -8.445 6.002 -11.51 { n ile A 45 1pl3A_119F_46G}P -8.701 5.688 -9.168 { ca ile A 45 1pl3A_119F_46G}P -8.684 5.006 -7.893 { n gly A 46 1pl3A_119F_46G}P -10.381 3.595 -6.909 { ca gly A 46 1pl3A_119F_46G}P -11.688 3.348 -6.351 {"}P -11.688 3.348 -6.351 { n glu A 47 1pl3A_119F_46G}P -12.879 2.573 -4.423 { ca glu A 47 1pl3A_119F_46G}P -13.052 1.777 -3.224 { n val A 48 1pl3A_119F_46G}P -14.437 -0.063 -2.578 { ca val A 48 1pl3A_119F_46G}P -15.667 -0.753 -2.197 { n trp A 117 1pl3A_119F_46G}P -11.94 -2.227 0.241 { ca trp A 117 1pl3A_119F_46G}P -11.021 -2.423 -0.845 { n val A 118 1pl3A_119F_46G}P -9.523 -0.627 -1.376 { ca val A 118 1pl3A_119F_46G}P -9.067 0.573 -2.039 { n phe A 119 1pl3A_119F_46G}P -8.357 0.641 -4.33 { ca phe A 119 1pl3A_119F_46G}P -7.644 0.141 -5.503 { n arg A 120 1pl3A_119F_46G}P -6.232 0.914 -7.243 { ca arg A 120 1pl3A_119F_46G}P -5.831 1.657 -8.41 { n cys A 121 1pl3A_119F_46G}P -6.747 1.388 -10.599 { ca cys A 121 1pl3A_119F_46G}P -7.09 0.734 -11.849 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca phe A 44 1pl3A_119F_46G}P -8.445 6.002 -11.51 {"}-8.445 6.002 -11.51 { ca ile A 45 1pl3A_119F_46G}-8.684 5.006 -7.893 { ca gly A 46 1pl3A_119F_46G}-11.688 3.348 -6.351 { ca glu A 47 1pl3A_119F_46G}-13.052 1.777 -3.224 { ca val A 48 1pl3A_119F_46G}-15.667 -0.753 -2.197 { ca trp A 117 1pl3A_119F_46G}P -11.021 -2.423 -0.845 {"}-11.021 -2.423 -0.845 { ca val A 118 1pl3A_119F_46G}-9.067 0.573 -2.039 { ca phe A 119 1pl3A_119F_46G}-7.644 0.141 -5.503 { ca arg A 120 1pl3A_119F_46G}-5.831 1.657 -8.41 { ca cys A 121 1pl3A_119F_46G}-7.09 0.734 -11.849 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca phe A 44 1pl3A_119F_46G}P -8.445 6.002 -11.51 { ca ile A 45 1pl3A_119F_46G}P -8.684 5.006 -7.893 { ca glu A 47 1pl3A_119F_46G}P -13.052 1.777 -3.224 { ca val A 48 1pl3A_119F_46G}P -15.667 -0.753 -2.197 { ca trp A 117 1pl3A_119F_46G}P -11.021 -2.423 -0.845 { ca val A 118 1pl3A_119F_46G}P -9.067 0.573 -2.039 { ca phe A 119 1pl3A_119F_46G}P -7.644 0.141 -5.503 { cb phe A 119 1pl3A_119F_46G}-8.38 -1.019 -6.181 { cg phe A 119 1pl3A_119F_46G}-9.735 -0.66 -6.731 { cd1 phe A 119 1pl3A_119F_46G}-10.854 -0.764 -5.933 { ce1 phe A 119 1pl3A_119F_46G}-12.088 -0.394 -6.415 { cz phe A 119 1pl3A_119F_46G}-12.197 0.071 -7.725 { cg phe A 119 1pl3A_119F_46G}P -9.735 -0.66 -6.731 { cd2 phe A 119 1pl3A_119F_46G}-9.864 -0.159 -8.018 { ce2 phe A 119 1pl3A_119F_46G}-11.088 0.203 -8.504 { cz phe A 119 1pl3A_119F_46G}ghost -12.197 0.071 -7.725 { ca arg A 120 1pl3A_119F_46G}P -5.831 1.657 -8.41 { ca cys A 121 1pl3A_119F_46G}P -7.09 0.734 -11.849 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 119 1pl3A_119F_46G}P -8.38 -1.019 -6.181 {"}P -8.38 -1.019 -6.181 { cd1 phe A 119 1pl3A_119F_46G}P -10.854 -0.764 -5.933 { cd2 phe A 119 1pl3A_119F_46G}P -9.864 -0.159 -8.018 { ce1 phe A 119 1pl3A_119F_46G}P -12.088 -0.394 -6.415 { ce2 phe A 119 1pl3A_119F_46G}P -11.088 0.203 -8.504 { cz phe A 119 1pl3A_119F_46G}P -12.197 0.071 -7.725 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 119 1pl3A_119F_46G}P -7.644 0.141 -5.503 { cb phe A 119 1pl3A_119F_46G}-8.38 -1.019 -6.181 { cg phe A 119 1pl3A_119F_46G}-9.735 -0.66 -6.731 { cd1 phe A 119 1pl3A_119F_46G}-10.854 -0.764 -5.933 { ce1 phe A 119 1pl3A_119F_46G}-12.088 -0.394 -6.415 { cz phe A 119 1pl3A_119F_46G}-12.197 0.071 -7.725 { cg phe A 119 1pl3A_119F_46G}P -9.735 -0.66 -6.731 { cd2 phe A 119 1pl3A_119F_46G}-9.864 -0.159 -8.018 { ce2 phe A 119 1pl3A_119F_46G}-11.088 0.203 -8.504 { cz phe A 119 1pl3A_119F_46G}ghost -12.197 0.071 -7.725 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 119 1pl3A_119F_46G}P -8.38 -1.019 -6.181 {"}P -8.38 -1.019 -6.181 { cd1 phe A 119 1pl3A_119F_46G}P -10.854 -0.764 -5.933 { cd2 phe A 119 1pl3A_119F_46G}P -9.864 -0.159 -8.018 { ce1 phe A 119 1pl3A_119F_46G}P -12.088 -0.394 -6.415 { ce2 phe A 119 1pl3A_119F_46G}P -11.088 0.203 -8.504 { cz phe A 119 1pl3A_119F_46G}P -12.197 0.071 -7.725 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 119 A}'P' sky -12.476 1.311 -6.471 {"}'P' sky -12.218 1.35 -6.47 { CE2 PHE 119 A}'P' sky -11.786 1.741 -8.047 {"}'P' sky -11.54 1.83 -8.043 {"}'P' sky -11.351 1.781 -7.795 {"}'P' sky -11.281 1.667 -7.564 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 119 A}'P' sea -11.599 1.72 -7.798 { CZ PHE 119 A}'P' sea -12.401 1.78 -8.04 {"}'P' sea -12.14 1.792 -8.04 {"}'P' green -12.585 1.776 -7.781 {"}'P' green -11.809 1.776 -7.781 {"}'P' green -12.842 1.685 -7.524 {"}'P' green -11.567 1.691 -7.523 {"}'P' green -12.895 1.609 -7.268 {"}'P' green -11.62 1.658 -7.266 {"}'P' green -12.708 1.588 -7.019 {"}'P' green -11.701 1.593 -7.019 {"}'P' green -12.641 1.481 -6.788 {"}'P' green -12.39 1.535 -6.785 {"}'P' green -12.133 1.546 -6.785 {"}'P' green -11.878 1.513 -6.786 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 119 A}'P' P -12.327 1.815 -7.78 {"}'P' -12.327 1.806 -7.779 {"}'P' P -12.067 1.815 -7.78 {"}'P' -12.067 1.811 -7.78 {"}'P' P -12.593 1.763 -7.52 {"}'P' -12.586 1.731 -7.524 {"}'P' P -12.336 1.803 -7.518 {"}'P' -12.33 1.726 -7.528 {"}'P' P -12.075 1.804 -7.518 {"}'P' -12.08 1.732 -7.527 {"}'P' P -11.817 1.767 -7.52 {"}'P' -11.822 1.746 -7.523 {"}'P' P -12.649 1.698 -7.264 {"}'P' -12.64 1.663 -7.274 {"}'P' P -12.393 1.747 -7.262 {"}'P' -12.382 1.657 -7.287 {"}'P' P -12.132 1.757 -7.262 {"}'P' -12.135 1.659 -7.289 {"}'P' P -11.872 1.727 -7.263 {"}'P' -11.883 1.674 -7.278 {"}'P' P -12.46 1.649 -7.016 {"}'P' -12.452 1.601 -7.038 {"}'P' P -12.205 1.671 -7.015 {"}'P' -12.205 1.602 -7.046 {"}'P' P -11.95 1.652 -7.016 {"}'P' -11.957 1.611 -7.034 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 46 A}'P' sky -11.638 2.037 -7.794 {"}'P' sky -11.454 2.014 -7.573 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 46 A}'P' green -11.855 1.894 -7.8 {"}'P' green -12.105 1.818 -7.803 {"}'P' green -12.365 1.816 -7.803 {"}'P' green -12.615 1.887 -7.8 {"}'P' green -11.644 1.845 -7.58 {"}'P' green -12.842 1.845 -7.58 {"}'P' sea -11.525 1.815 -7.334 {"}'P' green -11.695 1.657 -7.08 {"}'P' sea -12.9 1.723 -7.077 {"}'P' green -11.741 1.655 -6.82 {"}'P' green -11.981 1.569 -6.823 {"}'P' green -12.489 1.566 -6.823 {"}'P' green -12.731 1.648 -6.82 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 46 A}'P' P -11.869 1.727 -7.585 {"}'P' -11.878 1.75 -7.572 {"}'P' P -12.116 1.667 -7.588 {"}'P' -12.124 1.731 -7.553 {"}'P' P -12.37 1.667 -7.588 {"}'P' -12.363 1.728 -7.555 {"}'P' P -12.617 1.727 -7.585 {"}'P' -12.611 1.742 -7.577 {"}'P' P -11.741 1.678 -7.34 {"}'P' -11.748 1.694 -7.335 {"}'P' P -11.981 1.592 -7.344 {"}'P' -12 1.671 -7.322 {"}'P' P -12.235 1.562 -7.345 {"}'P' -12.236 1.664 -7.317 {"}'P' P -12.489 1.589 -7.344 {"}'P' -12.472 1.663 -7.323 {"}'P' P -12.731 1.671 -7.34 {"}'P' -12.726 1.68 -7.337 {"}'P' P -11.93 1.564 -7.084 {"}'P' -11.944 1.614 -7.082 {"}'P' P -12.18 1.523 -7.086 {"}'P' -12.184 1.604 -7.082 {"}'P' P -12.432 1.537 -7.085 {"}'P' -12.421 1.602 -7.082 {"}'P' P -12.676 1.604 -7.082 {"}'P' -12.672 1.613 -7.082 {"}'P' P -12.235 1.539 -6.825 {"}'P' -12.235 1.553 -6.827 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 119 A}'M' greentint -9.06 2.382 -7.442 {"}'M' greentint -9.002 2.635 -7.431 {"}'M' greentint -9.196 2.125 -7.233 {"}'M' greentint -9.196 2.378 -7.222 {"}'M' greentint -9.145 2.626 -7.211 {"}'M' greentint -9.045 2.859 -7.201 {"}'M' greentint -8.9 3.067 -7.192 {"}'M' greentint -9.289 2.105 -6.993 {"}'M' greentint -9.29 2.36 -6.982 {"}'M' greentint -9.243 2.612 -6.971 {"}'M' greentint -9.15 2.85 -6.96 {"}'M' greentint -9.012 3.066 -6.951 {"}'M' greentint -9.319 1.974 -6.744 {"}'M' greentint -9.343 2.23 -6.733 {"}'M' greentint -9.319 2.486 -6.722 {"}'M' greentint -9.249 2.733 -6.711 {"}'M' greentint -9.134 2.963 -6.701 {"}'M' greentint -8.979 3.168 -6.692 {"}'M' greentint -9.343 2.21 -6.475 {"}'M' greentint -9.321 2.466 -6.464 {"}'M' greentint -9.252 2.714 -6.453 {"}'M' greentint -9.139 2.945 -6.443 {"}'M' greentint -8.985 3.151 -6.434 {"}'M' greentint -9.289 2.335 -6.216 {"}'M' greentint -9.241 2.586 -6.205 {"}'M' greentint -9.146 2.824 -6.194 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 46 A}'M' greentint -8.91 2.604 -7.374 {"}'M' greentint -9.02 2.37 -7.385 {"}'M' greentint -8.874 2.859 -7.363 {"}'M' greentint -8.807 2.591 -7.133 {"}'M' greentint -8.903 2.358 -7.144 {"}'M' greentint -9.057 2.158 -7.152 {"}'M' greentint -8.807 3.09 -7.112 {"}'M' greentint -8.774 2.84 -7.123 {"}'M' greentint -8.769 2.588 -6.875 {"}'M' greentint -8.86 2.355 -6.885 {"}'M' greentint -9.006 2.151 -6.894 {"}'M' greentint -9.197 1.99 -6.901 {"}'M' greentint -8.773 3.085 -6.853 {"}'M' greentint -8.74 2.837 -6.864 {"}'M' greentint -8.807 2.568 -6.616 {"}'M' greentint -8.903 2.335 -6.626 {"}'M' greentint -9.057 2.135 -6.635 {"}'M' greentint -9.257 1.982 -6.642 {"}'M' greentint -8.807 3.067 -6.595 {"}'M' greentint -8.774 2.818 -6.605 {"}'M' greentint -8.91 2.56 -6.375 {"}'M' greentint -9.02 2.327 -6.385 {"}'M' greentint -9.194 2.136 -6.394 {"}'M' greentint -8.915 3.07 -6.353 {"}'M' greentint -8.874 2.815 -6.364 {"}'M' greentint -9.081 2.543 -6.169 {"}'M' greentint -9.217 2.322 -6.178 {"}'M' greentint -9.033 2.798 -6.158 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 119 A}'M' greentint -9.921 1.463 -5.023 {"}'M' greentint -9.847 1.71 -5.012 {"}'M' greentint -9.703 1.924 -5.003 {"}'M' greentint -9.503 2.087 -4.996 {"}'M' greentint -10.029 1.331 -4.788 {"}'M' greentint -9.996 1.581 -4.777 {"}'M' greentint -9.9 1.814 -4.767 {"}'M' greentint -9.746 2.014 -4.758 {"}'M' greentint -9.546 2.167 -4.751 {"}'M' greentint -9.313 2.263 -4.747 {"}'M' greentint -10.054 1.187 -4.535 {"}'M' greentint -10.056 1.437 -4.524 {"}'M' greentint -9.996 1.68 -4.513 {"}'M' greentint -9.877 1.901 -4.504 {"}'M' greentint -9.707 2.085 -4.496 {"}'M' greentint -9.496 2.221 -4.49 {"}'M' greentint -9.258 2.3 -4.486 {"}'M' greentint -10.029 1.309 -4.27 {"}'M' greentint -9.996 1.558 -4.26 {"}'M' greentint -9.9 1.791 -4.249 {"}'M' greentint -9.746 1.991 -4.241 {"}'M' greentint -9.546 2.144 -4.234 {"}'M' greentint -9.313 2.241 -4.23 {"}'M' greentint -9.921 1.419 -4.024 {"}'M' greentint -9.847 1.666 -4.013 {"}'M' greentint -9.703 1.881 -4.004 {"}'M' greentint -9.503 2.043 -3.997 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 46 A}'M' greentint -9.489 1.952 -5.117 {"}'M' greentint -9.612 1.731 -5.127 {"}'M' greentint -9.778 1.539 -5.135 {"}'M' greentint -9.317 2.189 -4.866 {"}'M' greentint -9.388 1.943 -4.876 {"}'M' greentint -9.504 1.715 -4.886 {"}'M' greentint -9.661 1.513 -4.895 {"}'M' greentint -9.853 1.345 -4.902 {"}'M' greentint -9.271 2.169 -4.612 {"}'M' greentint -9.341 1.922 -4.623 {"}'M' greentint -9.456 1.691 -4.633 {"}'M' greentint -9.611 1.486 -4.642 {"}'M' greentint -9.801 1.313 -4.65 {"}'M' greentint -10.02 1.178 -4.655 {"}'M' greentint -9.269 2.166 -4.354 {"}'M' greentint -9.338 1.918 -4.365 {"}'M' greentint -9.451 1.687 -4.375 {"}'M' greentint -9.605 1.481 -4.384 {"}'M' greentint -9.794 1.307 -4.391 {"}'M' greentint -10.012 1.17 -4.397 {"}'M' greentint -9.319 2.148 -4.1 {"}'M' greentint -9.391 1.902 -4.111 {"}'M' greentint -9.508 1.675 -4.121 {"}'M' greentint -9.666 1.474 -4.13 {"}'M' greentint -9.86 1.306 -4.137 {"}'M' greentint -9.486 1.905 -3.87 {"}'M' greentint -9.608 1.683 -3.879 {"}'M' greentint -9.772 1.49 -3.888 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n thr A 132 1qj4A_134F_145}P -12.268 -1.479 1.068 {"}-12.268 -1.479 1.068 { ca thr A 132 1qj4A_134F_145}-11.103 -1.855 0.323 { c thr A 132 1qj4A_134F_145}-10.889 -0.889 -0.83 { o thr A 132 1qj4A_134F_145}-11.83 -0.225 -1.291 { c thr A 132 1qj4A_134F_145}P -10.889 -0.889 -0.83 { n tyr A 133 1qj4A_134F_145}-9.647 -0.813 -1.285 { ca tyr A 133 1qj4A_134F_145}-9.246 0.123 -2.302 { c tyr A 133 1qj4A_134F_145}-8.465 -0.576 -3.405 { o tyr A 133 1qj4A_134F_145}-7.823 -1.62 -3.193 { c tyr A 133 1qj4A_134F_145}P -8.465 -0.576 -3.405 { n phe A 134 1qj4A_134F_145}-8.48 0.023 -4.595 { ca phe A 134 1qj4A_134F_145}-7.69 -0.458 -5.714 { c phe A 134 1qj4A_134F_145}-7.352 0.731 -6.597 { o phe A 134 1qj4A_134F_145}-7.907 1.816 -6.414 { c phe A 134 1qj4A_134F_145}P -7.352 0.731 -6.597 { n thr A 135 1qj4A_134F_145}-6.44 0.509 -7.538 { ca thr A 135 1qj4A_134F_145}-6.152 1.577 -8.484 { c thr A 135 1qj4A_134F_145}-6.319 1.045 -9.908 { o thr A 135 1qj4A_134F_145}-6.104 -0.148 -10.185 { c thr A 135 1qj4A_134F_145}P -6.319 1.045 -9.908 { n tyr A 136 1qj4A_134F_145}-6.714 1.965 -10.767 { ca tyr A 136 1qj4A_134F_145}-6.738 1.672 -12.193 { c tyr A 136 1qj4A_134F_145}-6.306 2.937 -12.919 { o tyr A 136 1qj4A_134F_145}-6.296 4.021 -12.379 { n ile A 143 1qj4A_134F_145}P -6.449 6.323 -10.881 {"}-6.449 6.323 -10.881 { ca ile A 143 1qj4A_134F_145}-7.68 6.56 -10.151 { c ile A 143 1qj4A_134F_145}-7.737 5.543 -9.011 { o ile A 143 1qj4A_134F_145}-7.442 4.38 -9.214 { c ile A 143 1qj4A_134F_145}P -7.737 5.543 -9.011 { n thr A 144 1qj4A_134F_145}-8.13 6.068 -7.838 { ca thr A 144 1qj4A_134F_145}-8.353 5.193 -6.68 { c thr A 144 1qj4A_134F_145}-9.809 4.79 -6.642 { o thr A 144 1qj4A_134F_145}-10.68 5.639 -6.526 { c thr A 144 1qj4A_134F_145}P -9.809 4.79 -6.642 { n gly A 145 1qj4A_134F_145}-10.071 3.504 -6.782 { ca gly A 145 1qj4A_134F_145}-11.411 2.97 -6.627 { c gly A 145 1qj4A_134F_145}-11.562 2.43 -5.189 { o gly A 145 1qj4A_134F_145}-10.601 2.187 -4.488 { c gly A 145 1qj4A_134F_145}P -11.562 2.43 -5.189 { n leu A 146 1qj4A_134F_145}-12.837 2.243 -4.811 { ca leu A 146 1qj4A_134F_145}-13.153 1.692 -3.489 { c leu A 146 1qj4A_134F_145}-14.356 0.777 -3.612 { o leu A 146 1qj4A_134F_145}-15.21 0.897 -4.49 { c leu A 146 1qj4A_134F_145}P -14.356 0.777 -3.612 { n lys A 147 1qj4A_134F_145}-14.413 -0.138 -2.667 { ca lys A 147 1qj4A_134F_145}-15.589 -0.97 -2.439 { c lys A 147 1qj4A_134F_145}-15.926 -0.839 -0.952 { o lys A 147 1qj4A_134F_145}-15.134 -1.203 -0.059 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n thr A 132 1qj4A_134F_145}P -12.268 -1.479 1.068 { ca thr A 132 1qj4A_134F_145}P -11.103 -1.855 0.323 { n tyr A 133 1qj4A_134F_145}P -9.647 -0.813 -1.285 { ca tyr A 133 1qj4A_134F_145}P -9.246 0.123 -2.302 { n phe A 134 1qj4A_134F_145}P -8.48 0.023 -4.595 { ca phe A 134 1qj4A_134F_145}P -7.69 -0.458 -5.714 { n thr A 135 1qj4A_134F_145}P -6.44 0.509 -7.538 { ca thr A 135 1qj4A_134F_145}P -6.152 1.577 -8.484 { n tyr A 136 1qj4A_134F_145}P -6.714 1.965 -10.767 { ca tyr A 136 1qj4A_134F_145}P -6.738 1.672 -12.193 { n ile A 143 1qj4A_134F_145}P -6.449 6.323 -10.881 { ca ile A 143 1qj4A_134F_145}P -7.68 6.56 -10.151 { n thr A 144 1qj4A_134F_145}P -8.13 6.068 -7.838 { ca thr A 144 1qj4A_134F_145}P -8.353 5.193 -6.68 { n gly A 145 1qj4A_134F_145}P -10.071 3.504 -6.782 { ca gly A 145 1qj4A_134F_145}P -11.411 2.97 -6.627 {"}P -11.411 2.97 -6.627 { n leu A 146 1qj4A_134F_145}P -12.837 2.243 -4.811 { ca leu A 146 1qj4A_134F_145}P -13.153 1.692 -3.489 { n lys A 147 1qj4A_134F_145}P -14.413 -0.138 -2.667 { ca lys A 147 1qj4A_134F_145}P -15.589 -0.97 -2.439 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca thr A 132 1qj4A_134F_145}P -11.103 -1.855 0.323 {"}-11.103 -1.855 0.323 { ca tyr A 133 1qj4A_134F_145}-9.246 0.123 -2.302 { ca phe A 134 1qj4A_134F_145}-7.69 -0.458 -5.714 { ca thr A 135 1qj4A_134F_145}-6.152 1.577 -8.484 { ca tyr A 136 1qj4A_134F_145}-6.738 1.672 -12.193 { ca ile A 143 1qj4A_134F_145}P -7.68 6.56 -10.151 {"}-7.68 6.56 -10.151 { ca thr A 144 1qj4A_134F_145}-8.353 5.193 -6.68 { ca gly A 145 1qj4A_134F_145}-11.411 2.97 -6.627 { ca leu A 146 1qj4A_134F_145}-13.153 1.692 -3.489 { ca lys A 147 1qj4A_134F_145}-15.589 -0.97 -2.439 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca thr A 132 1qj4A_134F_145}P -11.103 -1.855 0.323 { ca tyr A 133 1qj4A_134F_145}P -9.246 0.123 -2.302 { ca phe A 134 1qj4A_134F_145}P -7.69 -0.458 -5.714 { cb phe A 134 1qj4A_134F_145}-8.48 -1.545 -6.455 { cg phe A 134 1qj4A_134F_145}-9.815 -1.103 -7.025 { cd1 phe A 134 1qj4A_134F_145}-10.964 -1.091 -6.213 { ce1 phe A 134 1qj4A_134F_145}-12.188 -0.641 -6.696 { cz phe A 134 1qj4A_134F_145}-12.296 -0.206 -8 { cg phe A 134 1qj4A_134F_145}P -9.815 -1.103 -7.025 { cd2 phe A 134 1qj4A_134F_145}-9.964 -0.694 -8.329 { ce2 phe A 134 1qj4A_134F_145}-11.177 -0.231 -8.834 { cz phe A 134 1qj4A_134F_145}ghost -12.296 -0.206 -8 { ca thr A 135 1qj4A_134F_145}P -6.152 1.577 -8.484 { ca tyr A 136 1qj4A_134F_145}P -6.738 1.672 -12.193 { ca ile A 143 1qj4A_134F_145}P -7.68 6.56 -10.151 { ca thr A 144 1qj4A_134F_145}P -8.353 5.193 -6.68 { ca leu A 146 1qj4A_134F_145}P -13.153 1.692 -3.489 { ca lys A 147 1qj4A_134F_145}P -15.589 -0.97 -2.439 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 134 1qj4A_134F_145}P -8.48 -1.545 -6.455 {"}P -8.48 -1.545 -6.455 { cd1 phe A 134 1qj4A_134F_145}P -10.964 -1.091 -6.213 { cd2 phe A 134 1qj4A_134F_145}P -9.964 -0.694 -8.329 { ce1 phe A 134 1qj4A_134F_145}P -12.188 -0.641 -6.696 { ce2 phe A 134 1qj4A_134F_145}P -11.177 -0.231 -8.834 { cz phe A 134 1qj4A_134F_145}P -12.296 -0.206 -8 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 134 1qj4A_134F_145}P -7.69 -0.458 -5.714 { cb phe A 134 1qj4A_134F_145}-8.48 -1.545 -6.455 { cg phe A 134 1qj4A_134F_145}-9.815 -1.103 -7.025 { cd1 phe A 134 1qj4A_134F_145}-10.964 -1.091 -6.213 { ce1 phe A 134 1qj4A_134F_145}-12.188 -0.641 -6.696 { cz phe A 134 1qj4A_134F_145}-12.296 -0.206 -8 { cg phe A 134 1qj4A_134F_145}P -9.815 -1.103 -7.025 { cd2 phe A 134 1qj4A_134F_145}-9.964 -0.694 -8.329 { ce2 phe A 134 1qj4A_134F_145}-11.177 -0.231 -8.834 { cz phe A 134 1qj4A_134F_145}ghost -12.296 -0.206 -8 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 134 1qj4A_134F_145}P -8.48 -1.545 -6.455 {"}P -8.48 -1.545 -6.455 { cd1 phe A 134 1qj4A_134F_145}P -10.964 -1.091 -6.213 { cd2 phe A 134 1qj4A_134F_145}P -9.964 -0.694 -8.329 { ce1 phe A 134 1qj4A_134F_145}P -12.188 -0.641 -6.696 { ce2 phe A 134 1qj4A_134F_145}P -11.177 -0.231 -8.834 { cz phe A 134 1qj4A_134F_145}P -12.296 -0.206 -8 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 134 A}'P' blue -11.16 0.737 -7.026 {"}'P' sky -12.318 1.103 -6.751 {"}'P' sky -11.315 0.875 -6.761 { CE2 PHE 134 A}'P' sky -11.573 1.461 -8.629 {"}'P' sky -11.316 1.501 -8.627 {"}'P' sky -10.852 1.425 -8.372 {"}'P' sky -10.681 1.291 -8.128 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 134 A}'P' green -12.058 1.103 -6.751 {"}'P' green -11.8 1.064 -6.752 {"}'P' sea -11.55 0.988 -6.756 { CE2 PHE 134 A}'P' green -11.629 1.396 -8.373 {"}'P' green -11.373 1.445 -8.371 {"}'P' sea -11.112 1.455 -8.371 {"}'P' green -11.185 1.369 -8.124 {"}'P' green -10.93 1.35 -8.125 {"}'P' green -10.858 1.211 -7.895 {"}'P' green -11.12 1.087 -7.684 {"}'P' sea -10.862 1.052 -7.686 { CZ PHE 134 A}'P' green -11.979 1.486 -8.316 {"}'P' green -11.727 1.418 -8.319 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 PHE 134 A}'P' P -11.44 1.347 -8.125 {"}'P' -11.437 1.331 -8.132 {"}'P' P -11.113 1.244 -7.894 {"}'P' -11.113 1.244 -7.894 { CZ PHE 134 A}'P' P -12.166 1.538 -8.055 {"}'P' -12.168 1.505 -8.054 {"}'P' P -11.908 1.499 -8.056 {"}'P' -11.924 1.426 -8.054 {"}'P' P -11.658 1.423 -8.06 {"}'P' -11.685 1.356 -8.057 {"}'P' P -12.435 1.526 -7.793 {"}'P' -12.434 1.516 -7.795 {"}'P' P -12.174 1.527 -7.793 {"}'P' -12.181 1.429 -7.805 {"}'P' P -11.916 1.49 -7.795 {"}'P' -11.948 1.345 -7.813 {"}'P' P -11.666 1.414 -7.798 {"}'P' -11.719 1.279 -7.815 {"}'P' P -11.431 1.302 -7.803 {"}'P' -11.476 1.223 -7.814 {"}'P' P -12.492 1.47 -7.537 {"}'P' -12.491 1.463 -7.539 {"}'P' P -12.231 1.48 -7.537 {"}'P' -12.235 1.378 -7.565 {"}'P' P -11.971 1.45 -7.538 {"}'P' -12.002 1.291 -7.582 {"}'P' P -11.719 1.381 -7.541 {"}'P' -11.777 1.222 -7.587 {"}'P' P -11.481 1.274 -7.546 {"}'P' -11.539 1.168 -7.578 {"}'P' P -11.262 1.133 -7.552 {"}'P' -11.282 1.107 -7.56 {"}'P' P -12.304 1.394 -7.29 {"}'P' -12.304 1.342 -7.313 {"}'P' P -12.049 1.375 -7.291 {"}'P' -12.067 1.262 -7.342 {"}'P' P -11.8 1.316 -7.294 {"}'P' -11.841 1.19 -7.352 {"}'P' P -11.564 1.22 -7.298 {"}'P' -11.61 1.13 -7.342 {"}'P' P -11.345 1.088 -7.304 {"}'P' -11.362 1.065 -7.316 {"}'P' P -12.232 1.269 -7.06 {"}'P' -12.232 1.258 -7.066 {"}'P' P -11.977 1.236 -7.061 {"}'P' -11.987 1.187 -7.093 {"}'P' P -11.731 1.161 -7.064 {"}'P' -11.749 1.117 -7.094 {"}'P' P -11.501 1.045 -7.07 {"}'P' -11.503 1.042 -7.072 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 145 A}'P' sky -11.58 1.707 -8.432 {"}'P' sky -11.029 1.739 -8.291 {"}'P' sky -11.214 1.161 -6.893 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 145 A}'P' green -11.223 1.577 -8.298 {"}'P' green -11.461 1.49 -8.302 {"}'P' green -10.983 1.515 -8.116 {"}'P' green -11.2 1.372 -8.122 {"}'P' sea -10.799 1.492 -7.895 {"}'P' green -10.989 1.323 -7.902 {"}'P' sea -10.87 1.293 -7.656 {"}'P' green -11.086 1.156 -7.662 {"}'P' green -11.461 1.1 -6.895 {"}'P' sea -11.71 1.23 -6.668 {"}'P' sea -11.96 1.301 -6.665 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 145 A}'P' P -11.45 1.296 -8.125 {"}'P' -11.452 1.313 -8.111 {"}'P' P -11.71 1.294 -8.125 {"}'P' -11.703 1.344 -8.081 {"}'P' P -11.96 1.365 -8.122 {"}'P' -11.938 1.413 -8.077 {"}'P' P -12.181 1.504 -8.116 {"}'P' -12.173 1.513 -8.106 {"}'P' P -11.214 1.205 -7.907 {"}'P' -11.221 1.222 -7.898 {"}'P' P -11.461 1.145 -7.91 {"}'P' -11.47 1.214 -7.872 {"}'P' P -11.715 1.145 -7.91 {"}'P' -11.7 1.266 -7.844 {"}'P' P -11.962 1.205 -7.907 {"}'P' -11.914 1.327 -7.837 {"}'P' P -12.187 1.323 -7.902 {"}'P' -12.132 1.401 -7.852 {"}'P' P -12.377 1.492 -7.895 {"}'P' -12.361 1.505 -7.884 {"}'P' P -11.326 1.07 -7.666 {"}'P' -11.339 1.123 -7.651 {"}'P' P -11.58 1.04 -7.667 {"}'P' -11.581 1.172 -7.63 {"}'P' P -11.834 1.067 -7.666 {"}'P' -11.797 1.234 -7.619 {"}'P' P -12.076 1.149 -7.662 {"}'P' -12.006 1.295 -7.618 {"}'P' P -12.293 1.283 -7.656 {"}'P' -12.226 1.367 -7.628 {"}'P' P -12.475 1.462 -7.648 {"}'P' -12.461 1.473 -7.644 {"}'P' P -11.275 1.042 -7.406 {"}'P' -11.279 1.057 -7.406 {"}'P' P -11.525 1.001 -7.408 {"}'P' -11.53 1.101 -7.404 {"}'P' P -11.777 1.015 -7.407 {"}'P' -11.753 1.161 -7.401 {"}'P' P -12.021 1.082 -7.404 {"}'P' -11.965 1.223 -7.398 {"}'P' P -12.245 1.201 -7.399 {"}'P' -12.183 1.291 -7.395 {"}'P' P -12.437 1.364 -7.392 {"}'P' -12.416 1.385 -7.391 {"}'P' P -11.58 1.017 -7.147 {"}'P' -11.58 1.064 -7.155 {"}'P' P -11.834 1.044 -7.145 {"}'P' -11.816 1.124 -7.161 {"}'P' P -12.076 1.126 -7.142 {"}'P' -12.044 1.193 -7.156 {"}'P' P -12.293 1.261 -7.136 {"}'P' -12.278 1.279 -7.141 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 134 A}'M' greentint -8.772 2.237 -7.431 {"}'M' greentint -8.639 2.456 -7.422 {"}'M' greentint -9.018 1.974 -7.252 {"}'M' greentint -8.96 2.227 -7.241 {"}'M' greentint -8.845 2.459 -7.23 {"}'M' greentint -8.68 2.659 -7.222 {"}'M' greentint -8.473 2.815 -7.215 {"}'M' greentint -9.154 1.97 -7.032 {"}'M' greentint -9.103 2.218 -7.021 {"}'M' greentint -9.003 2.451 -7.011 {"}'M' greentint -8.858 2.659 -7.002 {"}'M' greentint -8.674 2.833 -6.994 {"}'M' greentint -8.459 2.967 -6.988 {"}'M' greentint -9.248 1.952 -6.792 {"}'M' greentint -9.201 2.204 -6.781 {"}'M' greentint -9.108 2.442 -6.77 {"}'M' greentint -8.97 2.658 -6.761 {"}'M' greentint -8.795 2.844 -6.753 {"}'M' greentint -8.587 2.994 -6.746 {"}'M' greentint -9.277 2.078 -6.532 {"}'M' greentint -9.207 2.325 -6.521 {"}'M' greentint -9.092 2.555 -6.511 {"}'M' greentint -8.937 2.76 -6.502 {"}'M' greentint -8.747 2.933 -6.495 {"}'M' greentint -9.21 2.306 -6.263 {"}'M' greentint -9.097 2.537 -6.253 {"}'M' greentint -8.943 2.743 -6.244 {"}'M' greentint -8.754 2.917 -6.237 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 145 A}'M' greentint -8.445 2.579 -7.269 {"}'M' greentint -8.541 2.346 -7.28 {"}'M' greentint -8.695 2.146 -7.288 {"}'M' greentint -8.895 1.993 -7.295 {"}'M' greentint -8.407 2.576 -7.011 {"}'M' greentint -8.498 2.343 -7.021 {"}'M' greentint -8.644 2.139 -7.03 {"}'M' greentint -8.835 1.978 -7.037 {"}'M' greentint -9.061 1.869 -7.041 {"}'M' greentint -8.378 2.825 -7 {"}'M' greentint -8.445 2.556 -6.752 {"}'M' greentint -8.541 2.323 -6.762 {"}'M' greentint -8.695 2.123 -6.771 {"}'M' greentint -8.895 1.97 -6.778 {"}'M' greentint -9.128 1.874 -6.782 {"}'M' greentint -8.445 3.055 -6.731 {"}'M' greentint -8.412 2.806 -6.741 {"}'M' greentint -8.548 2.548 -6.511 {"}'M' greentint -8.658 2.315 -6.521 {"}'M' greentint -8.832 2.124 -6.53 {"}'M' greentint -9.054 1.993 -6.536 {"}'M' greentint -8.512 2.803 -6.5 {"}'M' greentint -8.719 2.531 -6.305 {"}'M' greentint -8.855 2.31 -6.314 {"}'M' greentint -9.063 2.154 -6.321 {"}'M' greentint -8.671 2.786 -6.294 {"}'M' greentint -8.941 2.537 -6.145 {"}'M' greentint -9.121 2.351 -6.154 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 134 A}'M' green -9.812 1.224 -5.283 {"}'M' green -9.668 1.438 -5.274 {"}'M' green -9.223 1.814 -4.757 {"}'M' green -9.886 0.933 -4.295 {"}'M' green -9.629 1.175 -4.077 {"}'M' green -9.454 1.367 -4.069 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 134 A}'M' greentint -9.961 1.095 -5.048 {"}'M' greentint -9.865 1.328 -5.038 {"}'M' greentint -9.711 1.528 -5.029 {"}'M' greentint -9.511 1.681 -5.022 {"}'M' greentint -10.021 0.951 -4.795 {"}'M' greentint -9.961 1.194 -4.784 {"}'M' greentint -9.842 1.415 -4.775 {"}'M' greentint -9.672 1.599 -4.767 {"}'M' greentint -9.461 1.735 -4.761 {"}'M' greentint -9.961 1.072 -4.531 {"}'M' greentint -9.865 1.305 -4.52 {"}'M' greentint -9.711 1.505 -4.512 {"}'M' greentint -9.511 1.658 -4.505 {"}'M' greentint -9.278 1.755 -4.501 {"}'M' greentint -9.812 1.18 -4.284 {"}'M' greentint -9.668 1.395 -4.275 {"}'M' greentint -9.468 1.557 -4.268 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 145 A}'M' green -9.449 1.72 -5.133 {"}'M' green -9.938 1.152 -5.158 {"}'M' green -10.034 0.983 -4.924 {"}'M' green -9.972 0.938 -4.413 {"}'M' green -9.468 1.443 -4.137 {"}'M' green -9.82 1.074 -4.153 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 145 A}'M' greentint -9.572 1.499 -5.143 {"}'M' greentint -9.738 1.307 -5.151 {"}'M' greentint -9.348 1.711 -4.892 {"}'M' greentint -9.464 1.483 -4.902 {"}'M' greentint -9.621 1.281 -4.911 {"}'M' greentint -9.813 1.113 -4.918 {"}'M' greentint -9.301 1.69 -4.639 {"}'M' greentint -9.416 1.459 -4.649 {"}'M' greentint -9.571 1.254 -4.658 {"}'M' greentint -9.761 1.081 -4.666 {"}'M' greentint -9.98 0.946 -4.671 {"}'M' greentint -9.298 1.686 -4.381 {"}'M' greentint -9.411 1.455 -4.391 {"}'M' greentint -9.565 1.249 -4.4 {"}'M' greentint -9.754 1.075 -4.407 {"}'M' greentint -9.626 1.242 -4.146 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ser A 78 1qj8A_80Y_112G}P -12.091 -2.063 0.872 {"}-12.091 -2.063 0.872 { ca ser A 78 1qj8A_80Y_112G}-10.935 -2.267 0.022 { c ser A 78 1qj8A_80Y_112G}-10.736 -1.051 -0.874 { o ser A 78 1qj8A_80Y_112G}-11.703 -0.326 -1.127 { c ser A 78 1qj8A_80Y_112G}P -10.736 -1.051 -0.874 { n ile A 79 1qj8A_80Y_112G}-9.512 -0.882 -1.366 { ca ile A 79 1qj8A_80Y_112G}-9.15 0.232 -2.225 { c ile A 79 1qj8A_80Y_112G}-8.485 -0.344 -3.48 { o ile A 79 1qj8A_80Y_112G}-7.774 -1.365 -3.432 { c ile A 79 1qj8A_80Y_112G}P -8.485 -0.344 -3.48 { n tyr A 80 1qj8A_80Y_112G}-8.567 0.361 -4.618 { ca tyr A 80 1qj8A_80Y_112G}-7.901 -0.124 -5.83 { c tyr A 80 1qj8A_80Y_112G}-7.496 1.037 -6.717 { o tyr A 80 1qj8A_80Y_112G}-8.064 2.137 -6.605 { c tyr A 80 1qj8A_80Y_112G}P -7.496 1.037 -6.717 { n gly A 81 1qj8A_80Y_112G}-6.525 0.74 -7.55 { ca gly A 81 1qj8A_80Y_112G}-6.041 1.742 -8.53 { c gly A 81 1qj8A_80Y_112G}-6.011 0.994 -9.868 { o gly A 81 1qj8A_80Y_112G}-5.654 -0.222 -9.832 { c gly A 81 1qj8A_80Y_112G}P -6.011 0.994 -9.868 { n val A 82 1qj8A_80Y_112G}-6.387 1.621 -10.923 { ca val A 82 1qj8A_80Y_112G}-6.382 0.947 -12.239 { c val A 82 1qj8A_80Y_112G}-5.756 1.824 -13.312 { o val A 82 1qj8A_80Y_112G}-5.713 3.1 -13.229 { n gly A 110 1qj8A_80Y_112G}P -7.538 5.154 -12.924 {"}-7.538 5.154 -12.924 { ca gly A 110 1qj8A_80Y_112G}-8.717 5.409 -12.045 { c gly A 110 1qj8A_80Y_112G}-8.407 4.849 -10.668 { o gly A 110 1qj8A_80Y_112G}-7.307 4.302 -10.485 { c gly A 110 1qj8A_80Y_112G}P -8.407 4.849 -10.668 { n ala A 111 1qj8A_80Y_112G}-9.325 5.161 -9.746 { ca ala A 111 1qj8A_80Y_112G}-9.104 4.637 -8.38 { c ala A 111 1qj8A_80Y_112G}-10.445 4.522 -7.733 { o ala A 111 1qj8A_80Y_112G}-11.402 5.224 -8.159 { c ala A 111 1qj8A_80Y_112G}P -10.445 4.522 -7.733 { n gly A 112 1qj8A_80Y_112G}-10.579 3.567 -6.793 { ca gly A 112 1qj8A_80Y_112G}-11.931 3.501 -6.193 { c gly A 112 1qj8A_80Y_112G}-11.85 2.772 -4.876 { o gly A 112 1qj8A_80Y_112G}-10.763 2.466 -4.382 { c gly A 112 1qj8A_80Y_112G}P -11.85 2.772 -4.876 { n leu A 113 1qj8A_80Y_112G}-13.022 2.682 -4.245 { ca leu A 113 1qj8A_80Y_112G}-13.208 1.991 -2.983 { c leu A 113 1qj8A_80Y_112G}-14.387 1.009 -3.159 { o leu A 113 1qj8A_80Y_112G}-15.38 1.383 -3.789 { c leu A 113 1qj8A_80Y_112G}P -14.387 1.009 -3.159 { n gln A 114 1qj8A_80Y_112G}-14.353 -0.1 -2.466 { ca gln A 114 1qj8A_80Y_112G}-15.432 -1.107 -2.47 { c gln A 114 1qj8A_80Y_112G}-15.723 -1.451 -1.037 { o gln A 114 1qj8A_80Y_112G}-14.792 -1.817 -0.303 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ser A 78 1qj8A_80Y_112G}P -12.091 -2.063 0.872 { ca ser A 78 1qj8A_80Y_112G}P -10.935 -2.267 0.022 { n ile A 79 1qj8A_80Y_112G}P -9.512 -0.882 -1.366 { ca ile A 79 1qj8A_80Y_112G}P -9.15 0.232 -2.225 { n tyr A 80 1qj8A_80Y_112G}P -8.567 0.361 -4.618 { ca tyr A 80 1qj8A_80Y_112G}P -7.901 -0.124 -5.83 { n gly A 81 1qj8A_80Y_112G}P -6.525 0.74 -7.55 { ca gly A 81 1qj8A_80Y_112G}P -6.041 1.742 -8.53 {"}P -6.041 1.742 -8.53 { n val A 82 1qj8A_80Y_112G}P -6.387 1.621 -10.923 { ca val A 82 1qj8A_80Y_112G}P -6.382 0.947 -12.239 { n gly A 110 1qj8A_80Y_112G}P -7.538 5.154 -12.924 { ca gly A 110 1qj8A_80Y_112G}P -8.717 5.409 -12.045 {"}P -8.717 5.409 -12.045 { n ala A 111 1qj8A_80Y_112G}P -9.325 5.161 -9.746 { ca ala A 111 1qj8A_80Y_112G}P -9.104 4.637 -8.38 { n gly A 112 1qj8A_80Y_112G}P -10.579 3.567 -6.793 { ca gly A 112 1qj8A_80Y_112G}P -11.931 3.501 -6.193 {"}P -11.931 3.501 -6.193 { n leu A 113 1qj8A_80Y_112G}P -13.022 2.682 -4.245 { ca leu A 113 1qj8A_80Y_112G}P -13.208 1.991 -2.983 { n gln A 114 1qj8A_80Y_112G}P -14.353 -0.1 -2.466 { ca gln A 114 1qj8A_80Y_112G}P -15.432 -1.107 -2.47 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ser A 78 1qj8A_80Y_112G}P -10.935 -2.267 0.022 {"}-10.935 -2.267 0.022 { ca ile A 79 1qj8A_80Y_112G}-9.15 0.232 -2.225 { ca tyr A 80 1qj8A_80Y_112G}-7.901 -0.124 -5.83 { ca gly A 81 1qj8A_80Y_112G}-6.041 1.742 -8.53 { ca val A 82 1qj8A_80Y_112G}-6.382 0.947 -12.239 { ca gly A 110 1qj8A_80Y_112G}P -8.717 5.409 -12.045 {"}-8.717 5.409 -12.045 { ca ala A 111 1qj8A_80Y_112G}-9.104 4.637 -8.38 { ca gly A 112 1qj8A_80Y_112G}-11.931 3.501 -6.193 { ca leu A 113 1qj8A_80Y_112G}-13.208 1.991 -2.983 { ca gln A 114 1qj8A_80Y_112G}-15.432 -1.107 -2.47 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ser A 78 1qj8A_80Y_112G}P -10.935 -2.267 0.022 { ca ile A 79 1qj8A_80Y_112G}P -9.15 0.232 -2.225 {"}P -9.15 0.232 -2.225 { ca tyr A 80 1qj8A_80Y_112G}P -7.901 -0.124 -5.83 { cb tyr A 80 1qj8A_80Y_112G}-8.767 -1.129 -6.57 { cg tyr A 80 1qj8A_80Y_112G}-10.167 -0.65 -6.925 { cd1 tyr A 80 1qj8A_80Y_112G}-10.362 0.112 -8.056 { ce1 tyr A 80 1qj8A_80Y_112G}-11.623 0.565 -8.382 { cz tyr A 80 1qj8A_80Y_112G}-12.715 0.155 -7.602 { oh tyr A 80 1qj8A_80Y_112G}-13.974 0.568 -7.979 { cg tyr A 80 1qj8A_80Y_112G}P -10.167 -0.65 -6.925 { cd2 tyr A 80 1qj8A_80Y_112G}-11.235 -0.96 -6.126 { ce2 tyr A 80 1qj8A_80Y_112G}-12.533 -0.589 -6.445 { cz tyr A 80 1qj8A_80Y_112G}ghost -12.715 0.155 -7.602 { ca val A 82 1qj8A_80Y_112G}P -6.382 0.947 -12.239 { ca ala A 111 1qj8A_80Y_112G}P -9.104 4.637 -8.38 { ca leu A 113 1qj8A_80Y_112G}P -13.208 1.991 -2.983 { ca gln A 114 1qj8A_80Y_112G}P -15.432 -1.107 -2.47 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 80 1qj8A_80Y_112G}P -8.767 -1.129 -6.57 {"}P -8.767 -1.129 -6.57 { cd1 tyr A 80 1qj8A_80Y_112G}P -10.362 0.112 -8.056 { cd2 tyr A 80 1qj8A_80Y_112G}P -11.235 -0.96 -6.126 { ce1 tyr A 80 1qj8A_80Y_112G}P -11.623 0.565 -8.382 { ce2 tyr A 80 1qj8A_80Y_112G}P -12.533 -0.589 -6.445 { oh tyr A 80 1qj8A_80Y_112G}P -13.974 0.568 -7.979 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 80 1qj8A_80Y_112G}P -7.901 -0.124 -5.83 { cb tyr A 80 1qj8A_80Y_112G}-8.767 -1.129 -6.57 { cg tyr A 80 1qj8A_80Y_112G}-10.167 -0.65 -6.925 { cd1 tyr A 80 1qj8A_80Y_112G}-10.362 0.112 -8.056 { ce1 tyr A 80 1qj8A_80Y_112G}-11.623 0.565 -8.382 { cz tyr A 80 1qj8A_80Y_112G}-12.715 0.155 -7.602 { oh tyr A 80 1qj8A_80Y_112G}-13.974 0.568 -7.979 { cg tyr A 80 1qj8A_80Y_112G}P -10.167 -0.65 -6.925 { cd2 tyr A 80 1qj8A_80Y_112G}-11.235 -0.96 -6.126 { ce2 tyr A 80 1qj8A_80Y_112G}-12.533 -0.589 -6.445 { cz tyr A 80 1qj8A_80Y_112G}ghost -12.715 0.155 -7.602 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 80 1qj8A_80Y_112G}P -8.767 -1.129 -6.57 {"}P -8.767 -1.129 -6.57 { cd1 tyr A 80 1qj8A_80Y_112G}P -10.362 0.112 -8.056 { cd2 tyr A 80 1qj8A_80Y_112G}P -11.235 -0.96 -6.126 { ce1 tyr A 80 1qj8A_80Y_112G}P -11.623 0.565 -8.382 { ce2 tyr A 80 1qj8A_80Y_112G}P -12.533 -0.589 -6.445 { oh tyr A 80 1qj8A_80Y_112G}P -13.974 0.568 -7.979 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 80 A}'P' sky -12.55 1.979 -7.93 {"}'P' sky -12.075 2.192 -7.921 {"}'P' sky -11.819 2.241 -7.919 { CZ TYR 80 A}'P' sky -13.103 1.86 -7.658 {"}'P' sky -13.36 1.769 -7.401 {"}'P' blue -13.413 1.693 -7.145 {"}'P' sky -13.226 1.672 -6.896 {"}'P' blue -13.159 1.565 -6.665 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 80 A}'P' sea -12.321 2.103 -7.925 {"}'P' green -12.37 1.983 -7.68 {"}'P' green -12.134 2.082 -7.676 {"}'P' sea -11.886 2.143 -7.673 {"}'P' green -12.305 1.879 -7.449 {"}'P' green -12.067 1.975 -7.445 {"}'P' sea -12.078 1.806 -7.236 { CZ TYR 80 A}'P' sea -12.845 1.899 -7.657 {"}'P' sea -12.585 1.899 -7.657 {"}'P' sea -13.111 1.847 -7.397 {"}'P' green -12.854 1.887 -7.395 {"}'P' green -12.593 1.888 -7.395 {"}'P' green -12.335 1.851 -7.397 {"}'P' sea -13.167 1.782 -7.141 {"}'P' green -12.911 1.831 -7.139 {"}'P' green -12.65 1.841 -7.139 {"}'P' green -12.39 1.811 -7.14 {"}'P' sea -12.138 1.742 -7.143 {"}'P' green -12.978 1.733 -6.893 {"}'P' green -12.723 1.755 -6.892 {"}'P' green -12.468 1.736 -6.893 {"}'P' sea -12.219 1.677 -6.896 {"}'P' sea -12.908 1.619 -6.662 {"}'P' sea -12.651 1.63 -6.662 {"}'P' sea -12.396 1.597 -6.663 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 80 A}'P' blue -13.415 1.775 -7.543 {"}'P' blue -13.546 1.718 -7.304 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 112 A}'P' blue -12.064 2.553 -7.807 {"}'P' sky -12.258 2.391 -7.814 {"}'P' sky -12.496 2.304 -7.818 {"}'P' sky -12.995 2.179 -7.638 {"}'P' sky -13.222 2.137 -7.418 {"}'P' sky -13.328 2.097 -7.172 {"}'P' sky -13.28 2.015 -6.915 {"}'P' sky -13.111 1.94 -6.658 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 112 A}'P' sea -12.018 2.329 -7.632 {"}'P' green -12.235 2.186 -7.638 {"}'P' sea -12.485 2.11 -7.641 {"}'P' sea -12.745 2.108 -7.641 {"}'P' green -12.024 2.137 -7.418 {"}'P' green -12.249 2.019 -7.423 {"}'P' green -12.496 1.959 -7.426 {"}'P' green -12.75 1.959 -7.426 {"}'P' green -12.997 2.019 -7.423 {"}'P' sea -12.121 1.97 -7.178 {"}'P' green -12.361 1.884 -7.182 {"}'P' green -12.615 1.854 -7.183 {"}'P' green -12.869 1.881 -7.182 {"}'P' green -13.111 1.963 -7.178 {"}'P' green -12.31 1.856 -6.922 {"}'P' green -12.56 1.815 -6.924 {"}'P' green -12.812 1.829 -6.923 {"}'P' sea -13.056 1.896 -6.92 {"}'P' sea -12.361 1.861 -6.661 {"}'P' sea -12.615 1.831 -6.663 {"}'P' sea -12.869 1.858 -6.661 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 80 A}'M' green -8.946 3.137 -6.178 {"}'M' green -9.02 2.919 -5.946 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 80 A}'M' greentint -9.405 2.273 -6.983 {"}'M' greentint -9.358 2.525 -6.972 {"}'M' greentint -9.265 2.763 -6.961 {"}'M' greentint -9.127 2.979 -6.952 {"}'M' greentint -9.458 2.143 -6.734 {"}'M' greentint -9.434 2.399 -6.723 {"}'M' greentint -9.364 2.646 -6.712 {"}'M' greentint -9.249 2.876 -6.702 {"}'M' greentint -9.094 3.081 -6.693 {"}'M' greentint -9.458 2.123 -6.476 {"}'M' greentint -9.436 2.379 -6.465 {"}'M' greentint -9.367 2.627 -6.454 {"}'M' greentint -9.254 2.858 -6.444 {"}'M' greentint -9.1 3.064 -6.435 {"}'M' greentint -9.404 2.248 -6.217 {"}'M' greentint -9.356 2.499 -6.206 {"}'M' greentint -9.261 2.737 -6.195 {"}'M' greentint -9.122 2.952 -6.186 {"}'M' greentint -9.262 2.477 -5.966 {"}'M' greentint -9.164 2.71 -5.955 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 112 A}'M' greentint -9.058 2.695 -6.979 {"}'M' greentint -9.168 2.461 -6.99 {"}'M' greentint -9.342 2.271 -6.998 {"}'M' greentint -9.022 2.95 -6.968 {"}'M' greentint -8.955 2.682 -6.738 {"}'M' greentint -9.051 2.449 -6.749 {"}'M' greentint -9.205 2.249 -6.757 {"}'M' greentint -9.405 2.096 -6.764 {"}'M' greentint -8.955 3.181 -6.717 {"}'M' greentint -8.922 2.931 -6.728 {"}'M' greentint -8.917 2.679 -6.48 {"}'M' greentint -9.008 2.446 -6.49 {"}'M' greentint -9.154 2.242 -6.499 {"}'M' greentint -9.345 2.081 -6.506 {"}'M' greentint -8.921 3.176 -6.458 {"}'M' greentint -8.888 2.928 -6.469 {"}'M' greentint -8.955 2.659 -6.221 {"}'M' greentint -9.051 2.426 -6.231 {"}'M' greentint -9.205 2.226 -6.24 {"}'M' greentint -9.405 2.073 -6.247 {"}'M' greentint -8.922 2.909 -6.21 {"}'M' greentint -9.058 2.651 -5.98 {"}'M' greentint -9.168 2.418 -5.99 {"}'M' greentint -9.022 2.906 -5.969 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 80 A}'M' green -9.846 1.614 -5.203 {"}'M' green -9.702 1.828 -5.194 {"}'M' green -10.028 1.213 -4.461 {"}'M' green -9.312 2.145 -4.421 {"}'M' green -9.92 1.323 -4.215 {"}'M' green -9.663 1.565 -3.997 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 80 A}'M' greentint -9.995 1.485 -4.968 {"}'M' greentint -9.899 1.718 -4.958 {"}'M' greentint -9.745 1.918 -4.949 {"}'M' greentint -9.545 2.071 -4.942 {"}'M' greentint -10.055 1.341 -4.715 {"}'M' greentint -9.995 1.584 -4.704 {"}'M' greentint -9.876 1.805 -4.695 {"}'M' greentint -9.706 1.989 -4.687 {"}'M' greentint -9.495 2.125 -4.681 {"}'M' greentint -9.995 1.462 -4.451 {"}'M' greentint -9.899 1.695 -4.44 {"}'M' greentint -9.745 1.895 -4.432 {"}'M' greentint -9.545 2.048 -4.425 {"}'M' greentint -9.846 1.57 -4.204 {"}'M' greentint -9.702 1.785 -4.195 {"}'M' greentint -9.502 1.947 -4.188 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 112 A}'M' green -10.1 1.431 -5.052 {"}'M' green -9.439 2.236 -4.776 {"}'M' green -9.393 2.216 -4.522 {"}'M' green -10.142 1.225 -4.565 {"}'M' green -9.513 1.949 -4.021 {"}'M' green -9.63 1.722 -4.031 {"}'M' green -9.788 1.521 -4.04 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 112 A}'M' greentint -9.611 1.999 -5.027 {"}'M' greentint -9.734 1.778 -5.037 {"}'M' greentint -9.9 1.586 -5.045 {"}'M' greentint -9.51 1.99 -4.786 {"}'M' greentint -9.626 1.762 -4.796 {"}'M' greentint -9.783 1.56 -4.805 {"}'M' greentint -9.975 1.392 -4.812 {"}'M' greentint -9.463 1.969 -4.533 {"}'M' greentint -9.578 1.738 -4.543 {"}'M' greentint -9.733 1.533 -4.552 {"}'M' greentint -9.923 1.36 -4.56 {"}'M' greentint -9.46 1.965 -4.275 {"}'M' greentint -9.573 1.734 -4.285 {"}'M' greentint -9.727 1.528 -4.294 {"}'M' greentint -9.916 1.354 -4.301 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n tyr A 8 1qjpA_40F_10G}P -7.64 5.485 -12.765 {"}-7.64 5.485 -12.765 { ca tyr A 8 1qjpA_40F_10G}-8.789 5.548 -11.879 { c tyr A 8 1qjpA_40F_10G}-8.438 4.977 -10.513 { o tyr A 8 1qjpA_40F_10G}-7.5 4.213 -10.331 { c tyr A 8 1qjpA_40F_10G}P -8.438 4.977 -10.513 { n thr A 9 1qjpA_40F_10G}-9.269 5.341 -9.544 { ca thr A 9 1qjpA_40F_10G}-9.058 4.9 -8.177 { c thr A 9 1qjpA_40F_10G}-10.426 4.707 -7.545 { o thr A 9 1qjpA_40F_10G}-11.374 5.439 -7.817 { c thr A 9 1qjpA_40F_10G}P -10.426 4.707 -7.545 { n gly A 10 1qjpA_40F_10G}-10.505 3.722 -6.662 { ca gly A 10 1qjpA_40F_10G}-11.805 3.411 -6.081 { c gly A 10 1qjpA_40F_10G}-11.71 2.741 -4.718 { o gly A 10 1qjpA_40F_10G}-10.607 2.462 -4.24 { c gly A 10 1qjpA_40F_10G}P -11.71 2.741 -4.718 { n ala A 11 1qjpA_40F_10G}-12.91 2.539 -4.155 { ca ala A 11 1qjpA_40F_10G}-12.971 1.93 -2.847 { c ala A 11 1qjpA_40F_10G}-14.164 0.974 -2.915 { o ala A 11 1qjpA_40F_10G}-15.063 1.098 -3.748 { c ala A 11 1qjpA_40F_10G}P -14.164 0.974 -2.915 { n lys A 12 1qjpA_40F_10G}-14.123 0.014 -2.032 { ca lys A 12 1qjpA_40F_10G}-15.176 -1 -1.965 { c lys A 12 1qjpA_40F_10G}-15.481 -1.41 -0.539 { o lys A 12 1qjpA_40F_10G}-14.753 -1.172 0.426 { n gly A 38 1qjpA_40F_10G}P -11.966 -2.119 0.93 {"}-11.966 -2.119 0.93 { ca gly A 38 1qjpA_40F_10G}-10.763 -2.142 0.11 { c gly A 38 1qjpA_40F_10G}-10.664 -0.911 -0.754 { o gly A 38 1qjpA_40F_10G}-11.52 -0.047 -0.784 { c gly A 38 1qjpA_40F_10G}P -10.664 -0.911 -0.754 { n ala A 39 1qjpA_40F_10G}-9.513 -0.864 -1.419 { ca ala A 39 1qjpA_40F_10G}-9.214 0.21 -2.319 { c ala A 39 1qjpA_40F_10G}-8.575 -0.428 -3.542 { o ala A 39 1qjpA_40F_10G}-8.009 -1.517 -3.457 { c ala A 39 1qjpA_40F_10G}P -8.575 -0.428 -3.542 { n phe A 40 1qjpA_40F_10G}-8.745 0.259 -4.666 { ca phe A 40 1qjpA_40F_10G}-8.135 -0.228 -5.893 { c phe A 40 1qjpA_40F_10G}-7.762 0.978 -6.744 { o phe A 40 1qjpA_40F_10G}-8.303 2.087 -6.661 { c phe A 40 1qjpA_40F_10G}P -7.762 0.978 -6.744 { n gly A 41 1qjpA_40F_10G}-6.774 0.719 -7.602 { ca gly A 41 1qjpA_40F_10G}-6.364 1.738 -8.555 { c gly A 41 1qjpA_40F_10G}-6.064 1.036 -9.883 { o gly A 41 1qjpA_40F_10G}-5.665 -0.118 -9.853 { c gly A 41 1qjpA_40F_10G}P -6.064 1.036 -9.883 { n gly A 42 1qjpA_40F_10G}-6.305 1.717 -10.998 { ca gly A 42 1qjpA_40F_10G}-6.058 1.041 -12.258 { c gly A 42 1qjpA_40F_10G}-5.695 1.973 -13.379 { o gly A 42 1qjpA_40F_10G}-5.807 3.187 -13.236 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n tyr A 8 1qjpA_40F_10G}P -7.64 5.485 -12.765 { ca tyr A 8 1qjpA_40F_10G}P -8.789 5.548 -11.879 { n thr A 9 1qjpA_40F_10G}P -9.269 5.341 -9.544 { ca thr A 9 1qjpA_40F_10G}P -9.058 4.9 -8.177 { n gly A 10 1qjpA_40F_10G}P -10.505 3.722 -6.662 { ca gly A 10 1qjpA_40F_10G}P -11.805 3.411 -6.081 {"}P -11.805 3.411 -6.081 { n ala A 11 1qjpA_40F_10G}P -12.91 2.539 -4.155 { ca ala A 11 1qjpA_40F_10G}P -12.971 1.93 -2.847 { n lys A 12 1qjpA_40F_10G}P -14.123 0.014 -2.032 { ca lys A 12 1qjpA_40F_10G}P -15.176 -1 -1.965 { n gly A 38 1qjpA_40F_10G}P -11.966 -2.119 0.93 { ca gly A 38 1qjpA_40F_10G}P -10.763 -2.142 0.11 {"}P -10.763 -2.142 0.11 { n ala A 39 1qjpA_40F_10G}P -9.513 -0.864 -1.419 { ca ala A 39 1qjpA_40F_10G}P -9.214 0.21 -2.319 { n phe A 40 1qjpA_40F_10G}P -8.745 0.259 -4.666 { ca phe A 40 1qjpA_40F_10G}P -8.135 -0.228 -5.893 { n gly A 41 1qjpA_40F_10G}P -6.774 0.719 -7.602 { ca gly A 41 1qjpA_40F_10G}P -6.364 1.738 -8.555 {"}P -6.364 1.738 -8.555 { n gly A 42 1qjpA_40F_10G}P -6.305 1.717 -10.998 { ca gly A 42 1qjpA_40F_10G}P -6.058 1.041 -12.258 {"}P -6.058 1.041 -12.258 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca tyr A 8 1qjpA_40F_10G}P -8.789 5.548 -11.879 {"}-8.789 5.548 -11.879 { ca thr A 9 1qjpA_40F_10G}-9.058 4.9 -8.177 { ca gly A 10 1qjpA_40F_10G}-11.805 3.411 -6.081 { ca ala A 11 1qjpA_40F_10G}-12.971 1.93 -2.847 { ca lys A 12 1qjpA_40F_10G}-15.176 -1 -1.965 { ca gly A 38 1qjpA_40F_10G}P -10.763 -2.142 0.11 {"}-10.763 -2.142 0.11 { ca ala A 39 1qjpA_40F_10G}-9.214 0.21 -2.319 { ca phe A 40 1qjpA_40F_10G}-8.135 -0.228 -5.893 { ca gly A 41 1qjpA_40F_10G}-6.364 1.738 -8.555 { ca gly A 42 1qjpA_40F_10G}-6.058 1.041 -12.258 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca tyr A 8 1qjpA_40F_10G}P -8.789 5.548 -11.879 { ca thr A 9 1qjpA_40F_10G}P -9.058 4.9 -8.177 { ca ala A 11 1qjpA_40F_10G}P -12.971 1.93 -2.847 { ca lys A 12 1qjpA_40F_10G}P -15.176 -1 -1.965 { ca ala A 39 1qjpA_40F_10G}P -9.214 0.21 -2.319 { ca phe A 40 1qjpA_40F_10G}P -8.135 -0.228 -5.893 { cb phe A 40 1qjpA_40F_10G}-9.025 -1.247 -6.625 { cg phe A 40 1qjpA_40F_10G}-10.341 -0.705 -7.104 { cd1 phe A 40 1qjpA_40F_10G}-11.464 -0.758 -6.294 { ce1 phe A 40 1qjpA_40F_10G}-12.697 -0.28 -6.692 { cz phe A 40 1qjpA_40F_10G}-12.795 0.275 -7.973 { cg phe A 40 1qjpA_40F_10G}P -10.341 -0.705 -7.104 { cd2 phe A 40 1qjpA_40F_10G}-10.488 -0.154 -8.36 { ce2 phe A 40 1qjpA_40F_10G}-11.687 0.368 -8.788 { cz phe A 40 1qjpA_40F_10G}ghost -12.795 0.275 -7.973 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 40 1qjpA_40F_10G}P -9.025 -1.247 -6.625 {"}P -9.025 -1.247 -6.625 { cd1 phe A 40 1qjpA_40F_10G}P -11.464 -0.758 -6.294 { cd2 phe A 40 1qjpA_40F_10G}P -10.488 -0.154 -8.36 { ce1 phe A 40 1qjpA_40F_10G}P -12.697 -0.28 -6.692 { ce2 phe A 40 1qjpA_40F_10G}P -11.687 0.368 -8.788 { cz phe A 40 1qjpA_40F_10G}P -12.795 0.275 -7.973 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 40 1qjpA_40F_10G}P -8.135 -0.228 -5.893 { cb phe A 40 1qjpA_40F_10G}-9.025 -1.247 -6.625 { cg phe A 40 1qjpA_40F_10G}-10.341 -0.705 -7.104 { cd1 phe A 40 1qjpA_40F_10G}-11.464 -0.758 -6.294 { ce1 phe A 40 1qjpA_40F_10G}-12.697 -0.28 -6.692 { cz phe A 40 1qjpA_40F_10G}-12.795 0.275 -7.973 { cg phe A 40 1qjpA_40F_10G}P -10.341 -0.705 -7.104 { cd2 phe A 40 1qjpA_40F_10G}-10.488 -0.154 -8.36 { ce2 phe A 40 1qjpA_40F_10G}-11.687 0.368 -8.788 { cz phe A 40 1qjpA_40F_10G}ghost -12.795 0.275 -7.973 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 40 1qjpA_40F_10G}P -9.025 -1.247 -6.625 {"}P -9.025 -1.247 -6.625 { cd1 phe A 40 1qjpA_40F_10G}P -11.464 -0.758 -6.294 { cd2 phe A 40 1qjpA_40F_10G}P -10.488 -0.154 -8.36 { ce1 phe A 40 1qjpA_40F_10G}P -12.697 -0.28 -6.692 { ce2 phe A 40 1qjpA_40F_10G}P -11.687 0.368 -8.788 { cz phe A 40 1qjpA_40F_10G}P -12.795 0.275 -7.973 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 40 A}'P' sky -12.059 1.349 -6.752 {"}'P' blue -13.093 1.412 -6.487 {"}'P' sky -12.067 1.34 -6.49 {"}'P' blue -12.893 1.396 -6.229 {"}'P' sky -12.632 1.406 -6.229 {"}'P' sky -12.372 1.376 -6.23 { CE2 PHE 40 A}'P' blue -11.95 1.946 -8.079 {"}'P' sky -11.88 1.832 -7.848 {"}'P' blue -11.623 1.843 -7.848 {"}'P' blue -11.63 1.686 -7.638 {"}'P' blue -11.623 1.499 -7.455 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 40 A}'P' sea -12.836 1.452 -6.485 {"}'P' sea -12.575 1.453 -6.485 {"}'P' sea -12.317 1.416 -6.487 { CZ PHE 40 A}'P' sea -12.934 2.007 -7.766 {"}'P' green -12.673 2.008 -7.766 {"}'P' green -12.415 1.971 -7.768 {"}'P' sea -12.165 1.895 -7.771 {"}'P' green -12.991 1.951 -7.51 {"}'P' green -12.218 1.862 -7.514 {"}'P' green -11.98 1.755 -7.519 {"}'P' green -13.058 1.853 -7.264 {"}'P' green -12.063 1.701 -7.271 {"}'P' sea -11.844 1.569 -7.277 {"}'P' sea -13.239 1.685 -7.036 {"}'P' green -12.988 1.739 -7.033 {"}'P' green -12 1.526 -7.043 {"}'P' sea -12.998 1.579 -6.824 {"}'P' green -12.738 1.593 -6.823 {"}'P' green -12.48 1.558 -6.825 {"}'P' green -12.234 1.474 -6.828 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 40 A}'P' P -12.73 1.961 -7.51 {"}'P' -12.73 1.95 -7.513 {"}'P' P -12.47 1.931 -7.511 {"}'P' -12.475 1.904 -7.518 {"}'P' P -12.803 1.875 -7.263 {"}'P' -12.803 1.843 -7.277 {"}'P' P -12.548 1.856 -7.264 {"}'P' -12.557 1.798 -7.29 {"}'P' P -12.299 1.797 -7.267 {"}'P' -12.312 1.758 -7.285 {"}'P' P -12.731 1.75 -7.033 {"}'P' -12.732 1.721 -7.051 {"}'P' P -12.476 1.717 -7.034 {"}'P' -12.484 1.678 -7.059 {"}'P' P -12.23 1.642 -7.037 {"}'P' -12.233 1.634 -7.043 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 10 A}'P' blue -11.754 2.1 -7.527 {"}'P' sky -12.097 1.632 -6.556 {"}'P' sky -12.847 1.711 -6.553 {"}'P' sky -12.232 1.685 -6.306 {"}'P' sky -12.486 1.685 -6.306 {"}'P' sky -12.733 1.746 -6.304 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 10 A}'P' sea -12.232 2.075 -7.713 {"}'P' green -12.486 2.075 -7.713 {"}'P' sea -12.724 2.162 -7.709 {"}'P' sea -11.971 1.957 -7.533 {"}'P' green -12.221 1.881 -7.536 {"}'P' green -12.952 2.089 -7.527 {"}'P' green -11.985 1.79 -7.318 {"}'P' green -12.958 1.908 -7.313 {"}'P' sea -13.148 2.077 -7.306 {"}'P' sea -11.857 1.741 -7.073 {"}'P' green -12.097 1.655 -7.077 {"}'P' green -13.064 1.868 -7.067 {"}'P' sea -12.046 1.627 -6.817 {"}'P' green -12.296 1.586 -6.819 {"}'P' green -12.548 1.6 -6.818 {"}'P' green -12.792 1.667 -6.815 {"}'P' sea -13.016 1.786 -6.81 {"}'P' sea -12.351 1.602 -6.558 {"}'P' sea -12.605 1.629 -6.556 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 10 A}'P' P -12.481 1.879 -7.536 {"}'P' -12.478 1.901 -7.517 {"}'P' P -12.731 1.95 -7.533 {"}'P' -12.729 1.956 -7.528 {"}'P' P -12.232 1.73 -7.321 {"}'P' -12.235 1.756 -7.307 {"}'P' P -12.486 1.73 -7.321 {"}'P' -12.479 1.785 -7.291 {"}'P' P -12.733 1.79 -7.318 {"}'P' -12.717 1.831 -7.295 {"}'P' P -12.351 1.625 -7.078 {"}'P' -12.351 1.659 -7.069 {"}'P' P -12.605 1.652 -7.077 {"}'P' -12.595 1.697 -7.064 {"}'P' P -12.847 1.734 -7.073 {"}'P' -12.839 1.749 -7.069 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 40 A}'M' greentint -9.597 2.475 -7.028 {"}'M' greentint -9.504 2.713 -7.017 {"}'M' greentint -9.366 2.929 -7.008 {"}'M' greentint -9.191 3.115 -7 {"}'M' greentint -8.983 3.265 -6.993 {"}'M' greentint -9.673 2.349 -6.779 {"}'M' greentint -9.603 2.596 -6.768 {"}'M' greentint -9.488 2.826 -6.758 {"}'M' greentint -9.333 3.031 -6.749 {"}'M' greentint -9.143 3.204 -6.742 {"}'M' greentint -8.924 3.339 -6.736 {"}'M' greentint -9.675 2.329 -6.521 {"}'M' greentint -9.606 2.577 -6.51 {"}'M' greentint -9.493 2.808 -6.5 {"}'M' greentint -9.339 3.014 -6.491 {"}'M' greentint -9.15 3.188 -6.484 {"}'M' greentint -8.932 3.324 -6.478 {"}'M' greentint -9.643 2.198 -6.273 {"}'M' greentint -9.595 2.449 -6.262 {"}'M' greentint -9.5 2.687 -6.251 {"}'M' greentint -9.361 2.902 -6.242 {"}'M' greentint -9.185 3.087 -6.234 {"}'M' greentint -8.976 3.235 -6.227 {"}'M' greentint -9.501 2.427 -6.022 {"}'M' greentint -9.403 2.66 -6.011 {"}'M' greentint -9.259 2.869 -6.002 {"}'M' greentint -9.076 3.045 -5.995 {"}'M' greentint -8.862 3.18 -5.989 {"}'M' greentint -9.353 2.432 -5.801 {"}'M' greentint -9.236 2.664 -5.791 {"}'M' greentint -9.07 2.862 -5.783 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 10 A}'M' greentint -9.082 2.933 -7.068 {"}'M' greentint -9.218 2.712 -7.077 {"}'M' greentint -9.426 2.555 -7.084 {"}'M' greentint -9.034 3.188 -7.056 {"}'M' greentint -8.911 2.932 -6.86 {"}'M' greentint -9.021 2.698 -6.871 {"}'M' greentint -9.195 2.508 -6.879 {"}'M' greentint -9.417 2.376 -6.885 {"}'M' greentint -8.875 3.187 -6.849 {"}'M' greentint -8.808 2.919 -6.619 {"}'M' greentint -8.904 2.686 -6.63 {"}'M' greentint -9.058 2.486 -6.638 {"}'M' greentint -9.258 2.333 -6.645 {"}'M' greentint -9.491 2.236 -6.649 {"}'M' greentint -8.775 3.168 -6.609 {"}'M' greentint -8.77 2.916 -6.361 {"}'M' greentint -8.861 2.683 -6.371 {"}'M' greentint -9.007 2.479 -6.38 {"}'M' greentint -9.198 2.318 -6.387 {"}'M' greentint -9.424 2.209 -6.391 {"}'M' greentint -9.67 2.16 -6.394 {"}'M' greentint -8.741 3.165 -6.35 {"}'M' greentint -8.808 2.896 -6.102 {"}'M' greentint -8.904 2.663 -6.112 {"}'M' greentint -9.058 2.463 -6.121 {"}'M' greentint -9.258 2.31 -6.128 {"}'M' greentint -9.491 2.214 -6.132 {"}'M' greentint -8.775 3.146 -6.091 {"}'M' greentint -8.911 2.888 -5.861 {"}'M' greentint -9.021 2.655 -5.871 {"}'M' greentint -9.195 2.464 -5.88 {"}'M' greentint -9.417 2.333 -5.886 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 40 A}'M' greentint -10.202 1.367 -4.998 {"}'M' greentint -10.106 1.6 -4.988 {"}'M' greentint -9.952 1.8 -4.979 {"}'M' greentint -9.752 1.953 -4.972 {"}'M' greentint -9.519 2.049 -4.968 {"}'M' greentint -10.262 1.223 -4.745 {"}'M' greentint -10.202 1.466 -4.734 {"}'M' greentint -10.083 1.687 -4.725 {"}'M' greentint -9.913 1.871 -4.717 {"}'M' greentint -9.702 2.007 -4.711 {"}'M' greentint -9.464 2.086 -4.707 {"}'M' greentint -10.202 1.344 -4.481 {"}'M' greentint -10.106 1.577 -4.47 {"}'M' greentint -9.952 1.777 -4.462 {"}'M' greentint -9.752 1.93 -4.455 {"}'M' greentint -9.519 2.027 -4.451 {"}'M' greentint -10.127 1.205 -4.245 {"}'M' greentint -10.053 1.452 -4.234 {"}'M' greentint -9.909 1.667 -4.225 {"}'M' greentint -9.709 1.829 -4.218 {"}'M' greentint -9.47 1.926 -4.214 {"}'M' greentint -9.87 1.447 -4.027 {"}'M' greentint -9.695 1.639 -4.019 {"}'M' greentint -9.463 1.755 -4.014 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 10 A}'M' green -10.226 1.128 -4.428 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 10 A}'M' greentint -9.746 1.788 -5.114 {"}'M' greentint -9.933 1.608 -5.122 {"}'M' greentint -9.455 1.995 -4.885 {"}'M' greentint -9.578 1.774 -4.895 {"}'M' greentint -9.744 1.582 -4.903 {"}'M' greentint -9.944 1.427 -4.91 {"}'M' greentint -10.172 1.315 -4.915 {"}'M' greentint -9.354 1.986 -4.644 {"}'M' greentint -9.47 1.758 -4.654 {"}'M' greentint -9.627 1.556 -4.663 {"}'M' greentint -9.819 1.388 -4.67 {"}'M' greentint -10.04 1.258 -4.676 {"}'M' greentint -9.307 1.965 -4.391 {"}'M' greentint -9.422 1.734 -4.401 {"}'M' greentint -9.577 1.529 -4.41 {"}'M' greentint -9.767 1.356 -4.418 {"}'M' greentint -9.986 1.221 -4.423 {"}'M' greentint -9.417 1.73 -4.143 {"}'M' greentint -9.571 1.524 -4.152 {"}'M' greentint -9.76 1.35 -4.159 {"}'M' greentint -9.978 1.213 -4.165 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n asp A 92 1qjpA_94Y_126G}P -12.087 -2.643 -0.022 {"}-12.087 -2.643 -0.022 { ca asp A 92 1qjpA_94Y_126G}-10.794 -2.533 -0.649 { c asp A 92 1qjpA_94Y_126G}-10.694 -1.14 -1.253 { o asp A 92 1qjpA_94Y_126G}-11.679 -0.573 -1.702 { c asp A 92 1qjpA_94Y_126G}P -10.694 -1.14 -1.253 { n ile A 93 1qjpA_94Y_126G}-9.484 -0.639 -1.235 { ca ile A 93 1qjpA_94Y_126G}-9.139 0.564 -1.976 { c ile A 93 1qjpA_94Y_126G}-8.397 -0.013 -3.187 { o ile A 93 1qjpA_94Y_126G}-7.702 -1.022 -3.108 { c ile A 93 1qjpA_94Y_126G}P -8.397 -0.013 -3.187 { n tyr A 94 1qjpA_94Y_126G}-8.541 0.595 -4.361 { ca tyr A 94 1qjpA_94Y_126G}-7.848 0.07 -5.513 { c tyr A 94 1qjpA_94Y_126G}-7.554 1.166 -6.517 { o tyr A 94 1qjpA_94Y_126G}-8.096 2.255 -6.463 { c tyr A 94 1qjpA_94Y_126G}P -7.554 1.166 -6.517 { n thr A 95 1qjpA_94Y_126G}-6.599 0.819 -7.368 { ca thr A 95 1qjpA_94Y_126G}-6.258 1.656 -8.505 { c thr A 95 1qjpA_94Y_126G}-6.268 0.743 -9.717 { o thr A 95 1qjpA_94Y_126G}-5.956 -0.451 -9.718 { c thr A 95 1qjpA_94Y_126G}P -6.268 0.743 -9.717 { n arg A 96 1qjpA_94Y_126G}-6.539 1.359 -10.874 { ca arg A 96 1qjpA_94Y_126G}-6.481 0.678 -12.146 { c arg A 96 1qjpA_94Y_126G}-5.616 1.492 -13.091 { o arg A 96 1qjpA_94Y_126G}-5.575 2.704 -12.959 { n ala A 124 1qjpA_94Y_126G}P -7.53 4.785 -12.734 {"}-7.53 4.785 -12.734 { ca ala A 124 1qjpA_94Y_126G}-8.675 4.974 -11.869 { c ala A 124 1qjpA_94Y_126G}-8.269 4.736 -10.419 { o ala A 124 1qjpA_94Y_126G}-7.291 4.052 -10.137 { c ala A 124 1qjpA_94Y_126G}P -8.269 4.736 -10.419 { n gly A 125 1qjpA_94Y_126G}-9.073 5.325 -9.527 { ca gly A 125 1qjpA_94Y_126G}-8.95 5.047 -8.113 { c gly A 125 1qjpA_94Y_126G}-10.371 4.789 -7.619 { o gly A 125 1qjpA_94Y_126G}-11.274 5.498 -8.03 { c gly A 125 1qjpA_94Y_126G}P -10.371 4.789 -7.619 { n gly A 126 1qjpA_94Y_126G}-10.478 3.854 -6.692 { ca gly A 126 1qjpA_94Y_126G}-11.821 3.595 -6.208 { c gly A 126 1qjpA_94Y_126G}-11.823 2.806 -4.92 { o gly A 126 1qjpA_94Y_126G}-10.776 2.446 -4.384 { c gly A 126 1qjpA_94Y_126G}P -11.823 2.806 -4.92 { n val A 127 1qjpA_94Y_126G}-13.038 2.537 -4.463 { ca val A 127 1qjpA_94Y_126G}-13.246 1.687 -3.286 { c val A 127 1qjpA_94Y_126G}-14.284 0.66 -3.74 { o val A 127 1qjpA_94Y_126G}-15.184 0.936 -4.542 { c val A 127 1qjpA_94Y_126G}P -14.284 0.66 -3.74 { n glu A 128 1qjpA_94Y_126G}-14.12 -0.548 -3.253 { ca glu A 128 1qjpA_94Y_126G}-15.042 -1.64 -3.539 { c glu A 128 1qjpA_94Y_126G}-15.466 -2.298 -2.228 { o glu A 128 1qjpA_94Y_126G}-14.601 -2.63 -1.43 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n asp A 92 1qjpA_94Y_126G}P -12.087 -2.643 -0.022 { ca asp A 92 1qjpA_94Y_126G}P -10.794 -2.533 -0.649 { n ile A 93 1qjpA_94Y_126G}P -9.484 -0.639 -1.235 { ca ile A 93 1qjpA_94Y_126G}P -9.139 0.564 -1.976 { n tyr A 94 1qjpA_94Y_126G}P -8.541 0.595 -4.361 { ca tyr A 94 1qjpA_94Y_126G}P -7.848 0.07 -5.513 { n thr A 95 1qjpA_94Y_126G}P -6.599 0.819 -7.368 { ca thr A 95 1qjpA_94Y_126G}P -6.258 1.656 -8.505 { n arg A 96 1qjpA_94Y_126G}P -6.539 1.359 -10.874 { ca arg A 96 1qjpA_94Y_126G}P -6.481 0.678 -12.146 { n ala A 124 1qjpA_94Y_126G}P -7.53 4.785 -12.734 { ca ala A 124 1qjpA_94Y_126G}P -8.675 4.974 -11.869 { n gly A 125 1qjpA_94Y_126G}P -9.073 5.325 -9.527 { ca gly A 125 1qjpA_94Y_126G}P -8.95 5.047 -8.113 {"}P -8.95 5.047 -8.113 { n gly A 126 1qjpA_94Y_126G}P -10.478 3.854 -6.692 { ca gly A 126 1qjpA_94Y_126G}P -11.821 3.595 -6.208 {"}P -11.821 3.595 -6.208 { n val A 127 1qjpA_94Y_126G}P -13.038 2.537 -4.463 { ca val A 127 1qjpA_94Y_126G}P -13.246 1.687 -3.286 { n glu A 128 1qjpA_94Y_126G}P -14.12 -0.548 -3.253 { ca glu A 128 1qjpA_94Y_126G}P -15.042 -1.64 -3.539 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca asp A 92 1qjpA_94Y_126G}P -10.794 -2.533 -0.649 {"}-10.794 -2.533 -0.649 { ca ile A 93 1qjpA_94Y_126G}-9.139 0.564 -1.976 { ca tyr A 94 1qjpA_94Y_126G}-7.848 0.07 -5.513 { ca thr A 95 1qjpA_94Y_126G}-6.258 1.656 -8.505 { ca arg A 96 1qjpA_94Y_126G}-6.481 0.678 -12.146 { ca ala A 124 1qjpA_94Y_126G}-8.675 4.974 -11.869 { ca gly A 125 1qjpA_94Y_126G}-8.95 5.047 -8.113 { ca gly A 126 1qjpA_94Y_126G}-11.821 3.595 -6.208 { ca val A 127 1qjpA_94Y_126G}-13.246 1.687 -3.286 { ca glu A 128 1qjpA_94Y_126G}-15.042 -1.64 -3.539 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca asp A 92 1qjpA_94Y_126G}P -10.794 -2.533 -0.649 { ca ile A 93 1qjpA_94Y_126G}P -9.139 0.564 -1.976 { ca tyr A 94 1qjpA_94Y_126G}P -7.848 0.07 -5.513 { cb tyr A 94 1qjpA_94Y_126G}-8.705 -1.009 -6.215 { cg tyr A 94 1qjpA_94Y_126G}-9.908 -0.504 -6.981 { cd1 tyr A 94 1qjpA_94Y_126G}-9.851 0.008 -8.272 { ce1 tyr A 94 1qjpA_94Y_126G}-10.962 0.481 -8.932 { cz tyr A 94 1qjpA_94Y_126G}-12.174 0.491 -8.279 { oh tyr A 94 1qjpA_94Y_126G}-13.285 0.951 -8.908 { cg tyr A 94 1qjpA_94Y_126G}P -9.908 -0.504 -6.981 { cd2 tyr A 94 1qjpA_94Y_126G}-11.144 -0.464 -6.357 { ce2 tyr A 94 1qjpA_94Y_126G}-12.277 0.01 -6.977 { cz tyr A 94 1qjpA_94Y_126G}ghost -12.174 0.491 -8.279 { ca thr A 95 1qjpA_94Y_126G}P -6.258 1.656 -8.505 {"}P -6.258 1.656 -8.505 { ca arg A 96 1qjpA_94Y_126G}P -6.481 0.678 -12.146 { ca ala A 124 1qjpA_94Y_126G}P -8.675 4.974 -11.869 { ca val A 127 1qjpA_94Y_126G}P -13.246 1.687 -3.286 { ca glu A 128 1qjpA_94Y_126G}P -15.042 -1.64 -3.539 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 94 1qjpA_94Y_126G}P -8.705 -1.009 -6.215 {"}P -8.705 -1.009 -6.215 { cd1 tyr A 94 1qjpA_94Y_126G}P -9.851 0.008 -8.272 { cd2 tyr A 94 1qjpA_94Y_126G}P -11.144 -0.464 -6.357 { ce1 tyr A 94 1qjpA_94Y_126G}P -10.962 0.481 -8.932 { ce2 tyr A 94 1qjpA_94Y_126G}P -12.277 0.01 -6.977 { oh tyr A 94 1qjpA_94Y_126G}P -13.285 0.951 -8.908 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 94 1qjpA_94Y_126G}P -7.848 0.07 -5.513 { cb tyr A 94 1qjpA_94Y_126G}-8.705 -1.009 -6.215 { cg tyr A 94 1qjpA_94Y_126G}-9.908 -0.504 -6.981 { cd1 tyr A 94 1qjpA_94Y_126G}-9.851 0.008 -8.272 { ce1 tyr A 94 1qjpA_94Y_126G}-10.962 0.481 -8.932 { cz tyr A 94 1qjpA_94Y_126G}-12.174 0.491 -8.279 { oh tyr A 94 1qjpA_94Y_126G}-13.285 0.951 -8.908 { cg tyr A 94 1qjpA_94Y_126G}P -9.908 -0.504 -6.981 { cd2 tyr A 94 1qjpA_94Y_126G}-11.144 -0.464 -6.357 { ce2 tyr A 94 1qjpA_94Y_126G}-12.277 0.01 -6.977 { cz tyr A 94 1qjpA_94Y_126G}ghost -12.174 0.491 -8.279 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 94 1qjpA_94Y_126G}P -8.705 -1.009 -6.215 {"}P -8.705 -1.009 -6.215 { cd1 tyr A 94 1qjpA_94Y_126G}P -9.851 0.008 -8.272 { cd2 tyr A 94 1qjpA_94Y_126G}P -11.144 -0.464 -6.357 { ce1 tyr A 94 1qjpA_94Y_126G}P -10.962 0.481 -8.932 { ce2 tyr A 94 1qjpA_94Y_126G}P -12.277 0.01 -6.977 { oh tyr A 94 1qjpA_94Y_126G}P -13.285 0.951 -8.908 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 94 A}'P' sky -12.915 1.639 -7.037 {"}'P' blue -12.922 1.624 -6.776 {"}'P' sky -12.729 1.637 -6.516 {"}'P' sky -12.473 1.686 -6.514 { CZ TYR 94 A}'P' sky -11.597 2.078 -7.82 {"}'P' sky -11.609 1.858 -7.343 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 94 A}'P' sea -12.665 1.715 -7.033 {"}'P' green -12.407 1.754 -7.032 {"}'P' green -12.147 1.754 -7.032 {"}'P' sea -11.889 1.715 -7.033 {"}'P' sea -12.673 1.702 -6.772 {"}'P' green -12.416 1.742 -6.77 {"}'P' sea -12.155 1.743 -6.77 { CZ TYR 94 A}'P' sea -12.57 2.183 -8.074 {"}'P' sea -12.313 2.223 -8.072 {"}'P' sea -12.052 2.224 -8.072 {"}'P' sea -12.872 2.029 -7.822 {"}'P' green -12.626 2.118 -7.818 {"}'P' green -12.37 2.167 -7.816 {"}'P' green -12.109 2.177 -7.816 {"}'P' sea -11.849 2.147 -7.817 {"}'P' sea -12.921 1.909 -7.577 {"}'P' green -12.685 2.008 -7.573 {"}'P' green -11.927 2.072 -7.57 {"}'P' sea -11.678 2.013 -7.573 {"}'P' sea -12.856 1.805 -7.346 {"}'P' green -12.618 1.901 -7.342 {"}'P' green -12.11 1.966 -7.339 {"}'P' green -11.855 1.933 -7.34 {"}'P' sea -12.629 1.732 -7.133 {"}'P' green -12.377 1.795 -7.13 {"}'P' green -12.117 1.809 -7.129 {"}'P' sea -11.859 1.774 -7.131 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ TYR 94 A}'P' P -12.437 2.069 -7.57 {"}'P' -12.435 2.057 -7.575 {"}'P' P -12.182 2.091 -7.569 {"}'P' -12.182 2.078 -7.575 {"}'P' P -12.367 1.955 -7.339 {"}'P' -12.365 1.946 -7.345 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 94 A}'P' blue -13.091 2.013 -8.017 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 126 A}'P' sky -12.02 2.453 -7.915 {"}'P' sky -12.75 2.453 -7.915 {"}'P' sky -11.78 2.391 -7.733 {"}'P' blue -12.978 2.38 -7.733 {"}'P' sky -12.984 2.199 -7.519 {"}'P' sky -11.667 2.169 -7.273 {"}'P' sky -11.837 2.011 -7.019 {"}'P' sky -12.818 1.958 -7.021 {"}'P' sky -12.873 2.002 -6.759 {"}'P' sky -12.512 1.976 -6.512 {"}'P' blue -12.759 2.037 -6.51 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 126 A}'P' sea -12.258 2.366 -7.919 {"}'P' sea -12.512 2.366 -7.919 {"}'P' green -11.997 2.248 -7.739 {"}'P' green -12.247 2.172 -7.742 {"}'P' green -12.507 2.17 -7.742 {"}'P' sea -12.757 2.241 -7.739 {"}'P' sea -11.786 2.199 -7.519 {"}'P' green -12.011 2.081 -7.524 {"}'P' green -12.759 2.081 -7.524 {"}'P' green -11.883 2.032 -7.279 {"}'P' green -12.123 1.946 -7.283 {"}'P' green -12.631 1.943 -7.283 {"}'P' sea -12.873 2.025 -7.279 {"}'P' sea -12.072 1.918 -7.023 {"}'P' green -12.322 1.877 -7.025 {"}'P' sea -12.574 1.891 -7.024 {"}'P' sea -12.123 1.923 -6.762 {"}'P' green -12.377 1.893 -6.764 {"}'P' sea -12.631 1.92 -6.762 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 126 A}'P' P -12.258 2.021 -7.527 {"}'P' -12.26 2.04 -7.517 {"}'P' P -12.512 2.021 -7.527 {"}'P' -12.511 2.026 -7.524 {"}'P' P -12.377 1.916 -7.284 {"}'P' -12.377 1.916 -7.284 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 94 A}'M' greentint -9.39 2.643 -6.83 {"}'M' greentint -9.297 2.881 -6.819 {"}'M' greentint -9.159 3.097 -6.81 {"}'M' greentint -8.984 3.283 -6.802 {"}'M' greentint -9.466 2.517 -6.581 {"}'M' greentint -9.396 2.764 -6.57 {"}'M' greentint -9.281 2.994 -6.56 {"}'M' greentint -9.126 3.199 -6.551 {"}'M' greentint -8.936 3.372 -6.544 {"}'M' greentint -9.468 2.497 -6.323 {"}'M' greentint -9.399 2.745 -6.312 {"}'M' greentint -9.286 2.976 -6.302 {"}'M' greentint -9.132 3.182 -6.293 {"}'M' greentint -8.943 3.356 -6.286 {"}'M' greentint -9.388 2.617 -6.064 {"}'M' greentint -9.293 2.855 -6.053 {"}'M' greentint -9.154 3.07 -6.044 {"}'M' greentint -8.978 3.255 -6.036 {"}'M' greentint -9.294 2.595 -5.824 {"}'M' greentint -9.196 2.828 -5.813 {"}'M' greentint -9.052 3.037 -5.804 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 126 A}'M' greentint -9.214 2.868 -7.022 {"}'M' greentint -8.907 3.088 -6.805 {"}'M' greentint -9.017 2.854 -6.816 {"}'M' greentint -9.191 2.664 -6.824 {"}'M' greentint -9.413 2.532 -6.83 {"}'M' greentint -8.871 3.343 -6.794 {"}'M' greentint -8.804 3.075 -6.564 {"}'M' greentint -8.9 2.842 -6.575 {"}'M' greentint -9.054 2.642 -6.583 {"}'M' greentint -9.254 2.489 -6.59 {"}'M' greentint -8.771 3.324 -6.554 {"}'M' greentint -8.766 3.072 -6.306 {"}'M' greentint -8.857 2.839 -6.316 {"}'M' greentint -9.003 2.635 -6.325 {"}'M' greentint -9.194 2.474 -6.332 {"}'M' greentint -9.42 2.365 -6.336 {"}'M' greentint -8.737 3.321 -6.295 {"}'M' greentint -8.804 3.052 -6.047 {"}'M' greentint -8.9 2.819 -6.057 {"}'M' greentint -9.054 2.619 -6.066 {"}'M' greentint -9.254 2.466 -6.073 {"}'M' greentint -8.771 3.302 -6.036 {"}'M' greentint -8.907 3.044 -5.806 {"}'M' greentint -9.017 2.811 -5.816 {"}'M' greentint -9.191 2.62 -5.825 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 94 A}'M' greentint -9.959 1.549 -5.02 {"}'M' greentint -9.885 1.796 -5.009 {"}'M' greentint -9.741 2.01 -5 {"}'M' greentint -10.067 1.417 -4.785 {"}'M' greentint -10.034 1.667 -4.774 {"}'M' greentint -9.938 1.9 -4.764 {"}'M' greentint -9.784 2.1 -4.755 {"}'M' greentint -9.584 2.253 -4.748 {"}'M' greentint -10.092 1.273 -4.532 {"}'M' greentint -10.094 1.523 -4.521 {"}'M' greentint -10.034 1.766 -4.51 {"}'M' greentint -9.915 1.987 -4.501 {"}'M' greentint -9.745 2.171 -4.493 {"}'M' greentint -9.534 2.307 -4.487 {"}'M' greentint -10.067 1.395 -4.267 {"}'M' greentint -10.034 1.644 -4.257 {"}'M' greentint -9.938 1.877 -4.246 {"}'M' greentint -9.784 2.077 -4.238 {"}'M' greentint -9.584 2.23 -4.231 {"}'M' greentint -9.959 1.505 -4.021 {"}'M' greentint -9.885 1.752 -4.01 {"}'M' greentint -9.741 1.967 -4.001 {"}'M' greentint -9.541 2.129 -3.994 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 126 A}'M' greentint -9.624 1.979 -5.029 {"}'M' greentint -9.747 1.758 -5.039 {"}'M' greentint -9.913 1.566 -5.047 {"}'M' greentint -9.452 2.216 -4.778 {"}'M' greentint -9.523 1.97 -4.788 {"}'M' greentint -9.639 1.742 -4.798 {"}'M' greentint -9.796 1.54 -4.807 {"}'M' greentint -9.988 1.372 -4.814 {"}'M' greentint -9.406 2.196 -4.524 {"}'M' greentint -9.476 1.949 -4.535 {"}'M' greentint -9.591 1.718 -4.545 {"}'M' greentint -9.746 1.513 -4.554 {"}'M' greentint -9.936 1.34 -4.562 {"}'M' greentint -9.404 2.193 -4.266 {"}'M' greentint -9.473 1.945 -4.277 {"}'M' greentint -9.586 1.714 -4.287 {"}'M' greentint -9.74 1.508 -4.296 {"}'M' greentint -9.929 1.334 -4.303 {"}'M' greentint -9.454 2.175 -4.012 {"}'M' greentint -9.526 1.929 -4.023 {"}'M' greentint -9.643 1.702 -4.033 {"}'M' greentint -9.801 1.501 -4.042 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ile E 83 1qrpE_101F_85G}P -6.178 5.659 -11.282 {"}-6.178 5.659 -11.282 { ca ile E 83 1qrpE_101F_85G}-7.16 6.251 -10.389 { c ile E 83 1qrpE_101F_85G}-7.578 5.238 -9.328 { o ile E 83 1qrpE_101F_85G}-7.491 4.029 -9.516 { c ile E 83 1qrpE_101F_85G}P -7.578 5.238 -9.328 { n leu E 84 1qrpE_101F_85G}-7.819 5.741 -8.112 { ca leu E 84 1qrpE_101F_85G}-8.263 4.92 -6.994 { c leu E 84 1qrpE_101F_85G}-9.784 4.793 -6.995 { o leu E 84 1qrpE_101F_85G}-10.525 5.724 -7.264 { c leu E 84 1qrpE_101F_85G}P -9.784 4.793 -6.995 { n gly E 85 1qrpE_101F_85G}-10.199 3.571 -6.748 { ca gly E 85 1qrpE_101F_85G}-11.629 3.234 -6.559 { c gly E 85 1qrpE_101F_85G}-11.744 2.223 -5.43 { o gly E 85 1qrpE_101F_85G}-10.75 1.702 -4.955 { c gly E 85 1qrpE_101F_85G}P -11.744 2.223 -5.43 { n tyr E 86 1qrpE_101F_85G}-12.993 1.984 -5.002 { ca tyr E 86 1qrpE_101F_85G}-13.322 0.992 -3.961 { c tyr E 86 1qrpE_101F_85G}-14.206 -0.08 -4.578 { o tyr E 86 1qrpE_101F_85G}-15.095 0.207 -5.375 { c tyr E 86 1qrpE_101F_85G}P -14.206 -0.08 -4.578 { n asp E 87 1qrpE_101F_85G}-13.955 -1.33 -4.173 { ca asp E 87 1qrpE_101F_85G}-14.813 -2.466 -4.499 { c asp E 87 1qrpE_101F_85G}-14.44 -3.668 -3.638 { o asp E 87 1qrpE_101F_85G}-13.558 -3.572 -2.785 { n gln E 99 1qrpE_101F_85G}P -12.483 -2.31 -0.402 {"}-12.483 -2.31 -0.402 { ca gln E 99 1qrpE_101F_85G}-11.053 -2.292 -0.67 { c gln E 99 1qrpE_101F_85G}-10.767 -1.223 -1.728 { o gln E 99 1qrpE_101F_85G}-11.343 -1.234 -2.811 { c gln E 99 1qrpE_101F_85G}P -10.767 -1.223 -1.728 { n ile E 100 1qrpE_101F_85G}-9.91 -0.313 -1.325 { ca ile E 100 1qrpE_101F_85G}-9.29 0.689 -2.223 { c ile E 100 1qrpE_101F_85G}-8.213 -0.007 -3.06 { o ile E 100 1qrpE_101F_85G}-7.446 -0.851 -2.59 { c ile E 100 1qrpE_101F_85G}P -8.213 -0.007 -3.06 { n phe E 101 1qrpE_101F_85G}-8.256 0.298 -4.357 { ca phe E 101 1qrpE_101F_85G}-7.273 -0.194 -5.327 { c phe E 101 1qrpE_101F_85G}-7.148 0.774 -6.51 { o phe E 101 1qrpE_101F_85G}-7.981 1.635 -6.718 { c phe E 101 1qrpE_101F_85G}P -7.148 0.774 -6.51 { n gly E 102 1qrpE_101F_85G}-6.016 0.635 -7.181 { ca gly E 102 1qrpE_101F_85G}-5.72 1.384 -8.405 { c gly E 102 1qrpE_101F_85G}-6.301 0.708 -9.651 { o gly E 102 1qrpE_101F_85G}-6.222 -0.504 -9.854 { c gly E 102 1qrpE_101F_85G}P -6.301 0.708 -9.651 { n leu E 103 1qrpE_101F_85G}-6.905 1.546 -10.448 { ca leu E 103 1qrpE_101F_85G}-7.374 1.208 -11.812 { c leu E 103 1qrpE_101F_85G}-6.393 1.896 -12.756 { o leu E 103 1qrpE_101F_85G}-6.33 3.119 -12.804 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ile E 83 1qrpE_101F_85G}P -6.178 5.659 -11.282 { ca ile E 83 1qrpE_101F_85G}P -7.16 6.251 -10.389 { n leu E 84 1qrpE_101F_85G}P -7.819 5.741 -8.112 { ca leu E 84 1qrpE_101F_85G}P -8.263 4.92 -6.994 { n gly E 85 1qrpE_101F_85G}P -10.199 3.571 -6.748 { ca gly E 85 1qrpE_101F_85G}P -11.629 3.234 -6.559 {"}P -11.629 3.234 -6.559 { n tyr E 86 1qrpE_101F_85G}P -12.993 1.984 -5.002 { ca tyr E 86 1qrpE_101F_85G}P -13.322 0.992 -3.961 { n asp E 87 1qrpE_101F_85G}P -13.955 -1.33 -4.173 { ca asp E 87 1qrpE_101F_85G}P -14.813 -2.466 -4.499 { n gln E 99 1qrpE_101F_85G}P -12.483 -2.31 -0.402 { ca gln E 99 1qrpE_101F_85G}P -11.053 -2.292 -0.67 { n ile E 100 1qrpE_101F_85G}P -9.91 -0.313 -1.325 { ca ile E 100 1qrpE_101F_85G}P -9.29 0.689 -2.223 { n phe E 101 1qrpE_101F_85G}P -8.256 0.298 -4.357 { ca phe E 101 1qrpE_101F_85G}P -7.273 -0.194 -5.327 { n gly E 102 1qrpE_101F_85G}P -6.016 0.635 -7.181 { ca gly E 102 1qrpE_101F_85G}P -5.72 1.384 -8.405 {"}P -5.72 1.384 -8.405 { n leu E 103 1qrpE_101F_85G}P -6.905 1.546 -10.448 { ca leu E 103 1qrpE_101F_85G}P -7.374 1.208 -11.812 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ile E 83 1qrpE_101F_85G}P -7.16 6.251 -10.389 {"}-7.16 6.251 -10.389 { ca leu E 84 1qrpE_101F_85G}-8.263 4.92 -6.994 { ca gly E 85 1qrpE_101F_85G}-11.629 3.234 -6.559 { ca tyr E 86 1qrpE_101F_85G}-13.322 0.992 -3.961 { ca asp E 87 1qrpE_101F_85G}-14.813 -2.466 -4.499 { ca gln E 99 1qrpE_101F_85G}P -11.053 -2.292 -0.67 {"}-11.053 -2.292 -0.67 { ca ile E 100 1qrpE_101F_85G}-9.29 0.689 -2.223 { ca phe E 101 1qrpE_101F_85G}-7.273 -0.194 -5.327 { ca gly E 102 1qrpE_101F_85G}-5.72 1.384 -8.405 { ca leu E 103 1qrpE_101F_85G}-7.374 1.208 -11.812 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ile E 83 1qrpE_101F_85G}P -7.16 6.251 -10.389 { ca leu E 84 1qrpE_101F_85G}P -8.263 4.92 -6.994 { ca tyr E 86 1qrpE_101F_85G}P -13.322 0.992 -3.961 { ca asp E 87 1qrpE_101F_85G}P -14.813 -2.466 -4.499 { ca gln E 99 1qrpE_101F_85G}P -11.053 -2.292 -0.67 { ca ile E 100 1qrpE_101F_85G}P -9.29 0.689 -2.223 { ca phe E 101 1qrpE_101F_85G}P -7.273 -0.194 -5.327 { ca leu E 103 1qrpE_101F_85G}P -7.374 1.208 -11.812 @subgroup {sidechain} off @vectorlist {sc} color= blue alpha= 0.2353 master= {sidechain} { ca phe E 101 1qrpE_101F_85G}P -7.273 -0.194 -5.327 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 101 E}'M' green -8.654 2.783 -6.284 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 101 E}'M' greentint -9.077 2.27 -7.315 {"}'M' greentint -8.932 2.478 -7.306 {"}'M' greentint -9.275 2.023 -7.085 {"}'M' greentint -9.182 2.261 -7.074 {"}'M' greentint -9.044 2.477 -7.065 {"}'M' greentint -8.869 2.663 -7.057 {"}'M' greentint -8.661 2.813 -7.05 {"}'M' greentint -9.351 1.897 -6.836 {"}'M' greentint -9.281 2.144 -6.825 {"}'M' greentint -9.166 2.374 -6.815 {"}'M' greentint -9.011 2.579 -6.806 {"}'M' greentint -8.821 2.752 -6.799 {"}'M' greentint -8.602 2.887 -6.793 {"}'M' greentint -9.353 1.877 -6.578 {"}'M' greentint -9.284 2.125 -6.567 {"}'M' greentint -9.171 2.356 -6.557 {"}'M' greentint -9.017 2.562 -6.548 {"}'M' greentint -8.828 2.736 -6.541 {"}'M' greentint -8.61 2.872 -6.535 {"}'M' greentint -9.273 1.997 -6.319 {"}'M' greentint -9.178 2.235 -6.308 {"}'M' greentint -9.039 2.45 -6.299 {"}'M' greentint -8.863 2.635 -6.291 {"}'M' greentint -9.081 2.208 -6.068 {"}'M' greentint -8.937 2.417 -6.059 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 85 E}'M' greentint -8.755 2.561 -7.181 {"}'M' greentint -8.865 2.327 -7.192 {"}'M' greentint -9.039 2.137 -7.2 {"}'M' greentint -8.652 2.548 -6.94 {"}'M' greentint -8.748 2.315 -6.951 {"}'M' greentint -8.902 2.115 -6.959 {"}'M' greentint -9.102 1.962 -6.966 {"}'M' greentint -9.335 1.865 -6.97 {"}'M' greentint -8.619 2.797 -6.93 {"}'M' greentint -8.614 2.545 -6.682 {"}'M' greentint -8.705 2.312 -6.692 {"}'M' greentint -8.851 2.108 -6.701 {"}'M' greentint -9.042 1.947 -6.708 {"}'M' greentint -9.268 1.838 -6.712 {"}'M' greentint -8.585 2.794 -6.671 {"}'M' greentint -8.652 2.525 -6.423 {"}'M' greentint -8.748 2.292 -6.433 {"}'M' greentint -8.902 2.092 -6.442 {"}'M' greentint -9.102 1.939 -6.449 {"}'M' greentint -9.335 1.843 -6.453 {"}'M' greentint -8.619 2.775 -6.412 {"}'M' greentint -8.755 2.517 -6.182 {"}'M' greentint -8.865 2.284 -6.192 {"}'M' greentint -9.039 2.093 -6.201 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 101 E}'M' greentint -9.655 1.044 -5.46 {"}'M' greentint -9.561 1.286 -5.449 {"}'M' greentint -9.815 0.768 -5.265 {"}'M' greentint -9.818 1.026 -5.253 {"}'M' greentint -9.744 1.273 -5.242 {"}'M' greentint -9.6 1.487 -5.233 {"}'M' greentint -9.4 1.65 -5.226 {"}'M' greentint -9.893 0.645 -5.028 {"}'M' greentint -9.926 0.894 -5.018 {"}'M' greentint -9.893 1.144 -5.007 {"}'M' greentint -9.797 1.377 -4.997 {"}'M' greentint -9.643 1.577 -4.988 {"}'M' greentint -9.443 1.73 -4.981 {"}'M' greentint -9.951 0.75 -4.765 {"}'M' greentint -9.953 1 -4.754 {"}'M' greentint -9.893 1.243 -4.743 {"}'M' greentint -9.774 1.464 -4.734 {"}'M' greentint -9.604 1.648 -4.726 {"}'M' greentint -9.393 1.784 -4.72 {"}'M' greentint -9.926 0.872 -4.5 {"}'M' greentint -9.893 1.121 -4.49 {"}'M' greentint -9.797 1.354 -4.479 {"}'M' greentint -9.643 1.554 -4.471 {"}'M' greentint -9.443 1.707 -4.464 {"}'M' greentint -9.818 0.982 -4.254 {"}'M' greentint -9.744 1.229 -4.243 {"}'M' greentint -9.6 1.444 -4.234 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 85 E}'M' green -9.881 0.773 -4.371 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 85 E}'M' greentint -9.426 1.472 -5.349 {"}'M' greentint -9.497 1.226 -5.359 {"}'M' greentint -9.613 0.998 -5.369 {"}'M' greentint -9.38 1.452 -5.095 {"}'M' greentint -9.45 1.205 -5.106 {"}'M' greentint -9.565 0.974 -5.116 {"}'M' greentint -9.72 0.769 -5.125 {"}'M' greentint -9.356 1.708 -5.084 {"}'M' greentint -9.378 1.449 -4.837 {"}'M' greentint -9.447 1.201 -4.848 {"}'M' greentint -9.56 0.97 -4.858 {"}'M' greentint -9.714 0.764 -4.867 {"}'M' greentint -9.903 0.59 -4.874 {"}'M' greentint -9.356 1.705 -4.826 {"}'M' greentint -9.428 1.431 -4.583 {"}'M' greentint -9.5 1.185 -4.594 {"}'M' greentint -9.617 0.958 -4.604 {"}'M' greentint -9.775 0.757 -4.613 {"}'M' greentint -9.403 1.685 -4.572 {"}'M' greentint -9.521 1.431 -4.342 {"}'M' greentint -9.595 1.188 -4.353 {"}'M' greentint -9.717 0.966 -4.362 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n cys A 513 1rwhA_624Y_515}P -8.841 5.031 -12.926 {"}-8.841 5.031 -12.926 { ca cys A 513 1rwhA_624Y_515}-9.952 4.53 -12.14 { c cys A 513 1rwhA_624Y_515}-9.496 4.295 -10.7 { o cys A 513 1rwhA_624Y_515}-8.634 3.401 -10.465 { c cys A 513 1rwhA_624Y_515}P -9.496 4.295 -10.7 { n leu A 514 1rwhA_624Y_515}-10.037 5.053 -9.772 { ca leu A 514 1rwhA_624Y_515}-9.673 4.947 -8.346 { c leu A 514 1rwhA_624Y_515}-10.85 4.473 -7.513 { o leu A 514 1rwhA_624Y_515}-11.981 4.957 -7.757 { c leu A 514 1rwhA_624Y_515}P -10.85 4.473 -7.513 { n gly A 515 1rwhA_624Y_515}-10.623 3.582 -6.553 { ca gly A 515 1rwhA_624Y_515}-11.672 3.132 -5.683 { c gly A 515 1rwhA_624Y_515}-11.156 3.123 -4.255 { o gly A 515 1rwhA_624Y_515}-9.987 2.792 -3.999 { c gly A 515 1rwhA_624Y_515}P -11.156 3.123 -4.255 { n ala A 516 1rwhA_624Y_515}-12.018 3.459 -3.313 { ca ala A 516 1rwhA_624Y_515}-11.631 3.53 -1.921 { c ala A 516 1rwhA_624Y_515}-12.818 3.243 -1.024 { o ala A 516 1rwhA_624Y_515}-13.991 3.317 -1.431 { c ala A 516 1rwhA_624Y_515}P -12.818 3.243 -1.024 { n asp A 517 1rwhA_624Y_515}-12.513 2.969 0.242 { ca asp A 517 1rwhA_624Y_515}-13.498 2.849 1.288 { c asp A 517 1rwhA_624Y_515}-14.491 1.738 0.991 { o asp A 517 1rwhA_624Y_515}-15.688 1.889 1.317 { n gly A 622 1rwhA_624Y_515}P -11.442 -1.37 1.587 {"}-11.442 -1.37 1.587 { ca gly A 622 1rwhA_624Y_515}-10.791 -1.865 0.388 { c gly A 622 1rwhA_624Y_515}-10.643 -0.769 -0.67 { o gly A 622 1rwhA_624Y_515}-11.311 0.273 -0.582 { c gly A 622 1rwhA_624Y_515}P -10.643 -0.769 -0.67 { n ser A 623 1rwhA_624Y_515}-9.758 -0.999 -1.608 { ca ser A 623 1rwhA_624Y_515}-9.41 0.027 -2.585 { c ser A 623 1rwhA_624Y_515}-8.959 -0.586 -3.887 { o ser A 623 1rwhA_624Y_515}-8.656 -1.798 -3.933 { c ser A 623 1rwhA_624Y_515}P -8.959 -0.586 -3.887 { n tyr A 624 1rwhA_624Y_515}-8.893 0.197 -4.946 { ca tyr A 624 1rwhA_624Y_515}-8.29 -0.221 -6.189 { c tyr A 624 1rwhA_624Y_515}-7.691 1.003 -6.856 { o tyr A 624 1rwhA_624Y_515}-8.121 2.163 -6.598 { c tyr A 624 1rwhA_624Y_515}P -7.691 1.003 -6.856 { n ala A 625 1rwhA_624Y_515}-6.821 0.789 -7.813 { ca ala A 625 1rwhA_624Y_515}-6.267 1.871 -8.611 { c ala A 625 1rwhA_624Y_515}-5.759 1.261 -9.901 { o ala A 625 1rwhA_624Y_515}-4.875 0.387 -9.859 { c ala A 625 1rwhA_624Y_515}P -5.759 1.261 -9.901 { n tyr A 626 1rwhA_624Y_515}-6.338 1.612 -11.036 { ca tyr A 626 1rwhA_624Y_515}-5.91 1.086 -12.318 { c tyr A 626 1rwhA_624Y_515}-6.205 2.109 -13.406 { o tyr A 626 1rwhA_624Y_515}-6.853 3.13 -13.164 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n cys A 513 1rwhA_624Y_515}P -8.841 5.031 -12.926 { ca cys A 513 1rwhA_624Y_515}P -9.952 4.53 -12.14 { n leu A 514 1rwhA_624Y_515}P -10.037 5.053 -9.772 { ca leu A 514 1rwhA_624Y_515}P -9.673 4.947 -8.346 { n gly A 515 1rwhA_624Y_515}P -10.623 3.582 -6.553 { ca gly A 515 1rwhA_624Y_515}P -11.672 3.132 -5.683 {"}P -11.672 3.132 -5.683 { n ala A 516 1rwhA_624Y_515}P -12.018 3.459 -3.313 { ca ala A 516 1rwhA_624Y_515}P -11.631 3.53 -1.921 { n asp A 517 1rwhA_624Y_515}P -12.513 2.969 0.242 { ca asp A 517 1rwhA_624Y_515}P -13.498 2.849 1.288 { n gly A 622 1rwhA_624Y_515}P -11.442 -1.37 1.587 { ca gly A 622 1rwhA_624Y_515}P -10.791 -1.865 0.388 {"}P -10.791 -1.865 0.388 { n ser A 623 1rwhA_624Y_515}P -9.758 -0.999 -1.608 { ca ser A 623 1rwhA_624Y_515}P -9.41 0.027 -2.585 { n tyr A 624 1rwhA_624Y_515}P -8.893 0.197 -4.946 { ca tyr A 624 1rwhA_624Y_515}P -8.29 -0.221 -6.189 { n ala A 625 1rwhA_624Y_515}P -6.821 0.789 -7.813 { ca ala A 625 1rwhA_624Y_515}P -6.267 1.871 -8.611 { n tyr A 626 1rwhA_624Y_515}P -6.338 1.612 -11.036 { ca tyr A 626 1rwhA_624Y_515}P -5.91 1.086 -12.318 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca cys A 513 1rwhA_624Y_515}P -9.952 4.53 -12.14 {"}-9.952 4.53 -12.14 { ca leu A 514 1rwhA_624Y_515}-9.673 4.947 -8.346 { ca gly A 515 1rwhA_624Y_515}-11.672 3.132 -5.683 { ca ala A 516 1rwhA_624Y_515}-11.631 3.53 -1.921 { ca asp A 517 1rwhA_624Y_515}-13.498 2.849 1.288 { ca gly A 622 1rwhA_624Y_515}P -10.791 -1.865 0.388 {"}-10.791 -1.865 0.388 { ca ser A 623 1rwhA_624Y_515}-9.41 0.027 -2.585 { ca tyr A 624 1rwhA_624Y_515}-8.29 -0.221 -6.189 { ca ala A 625 1rwhA_624Y_515}-6.267 1.871 -8.611 { ca tyr A 626 1rwhA_624Y_515}-5.91 1.086 -12.318 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca cys A 513 1rwhA_624Y_515}P -9.952 4.53 -12.14 { ca leu A 514 1rwhA_624Y_515}P -9.673 4.947 -8.346 { ca ala A 516 1rwhA_624Y_515}P -11.631 3.53 -1.921 { ca asp A 517 1rwhA_624Y_515}P -13.498 2.849 1.288 { ca ser A 623 1rwhA_624Y_515}P -9.41 0.027 -2.585 { ca tyr A 624 1rwhA_624Y_515}P -8.29 -0.221 -6.189 { cb tyr A 624 1rwhA_624Y_515}-9.257 -0.951 -7.14 { cg tyr A 624 1rwhA_624Y_515}-10.431 -0.143 -7.595 { cd1 tyr A 624 1rwhA_624Y_515}-10.302 0.801 -8.633 { ce1 tyr A 624 1rwhA_624Y_515}-11.391 1.567 -9.069 { cz tyr A 624 1rwhA_624Y_515}-12.623 1.389 -8.426 { oh tyr A 624 1rwhA_624Y_515}-13.696 2.118 -8.835 { cg tyr A 624 1rwhA_624Y_515}P -10.431 -0.143 -7.595 { cd2 tyr A 624 1rwhA_624Y_515}-11.665 -0.272 -7.01 { ce2 tyr A 624 1rwhA_624Y_515}-12.788 0.45 -7.439 { cz tyr A 624 1rwhA_624Y_515}ghost -12.623 1.389 -8.426 { ca ala A 625 1rwhA_624Y_515}P -6.267 1.871 -8.611 { ca tyr A 626 1rwhA_624Y_515}P -5.91 1.086 -12.318 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 624 1rwhA_624Y_515}P -9.257 -0.951 -7.14 {"}P -9.257 -0.951 -7.14 { cd1 tyr A 624 1rwhA_624Y_515}P -10.302 0.801 -8.633 { cd2 tyr A 624 1rwhA_624Y_515}P -11.665 -0.272 -7.01 { ce1 tyr A 624 1rwhA_624Y_515}P -11.391 1.567 -9.069 { ce2 tyr A 624 1rwhA_624Y_515}P -12.788 0.45 -7.439 { oh tyr A 624 1rwhA_624Y_515}P -13.696 2.118 -8.835 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 624 1rwhA_624Y_515}P -8.29 -0.221 -6.189 { cb tyr A 624 1rwhA_624Y_515}-9.257 -0.951 -7.14 { cg tyr A 624 1rwhA_624Y_515}-10.431 -0.143 -7.595 { cd1 tyr A 624 1rwhA_624Y_515}-10.302 0.801 -8.633 { ce1 tyr A 624 1rwhA_624Y_515}-11.391 1.567 -9.069 { cz tyr A 624 1rwhA_624Y_515}-12.623 1.389 -8.426 { oh tyr A 624 1rwhA_624Y_515}-13.696 2.118 -8.835 { cg tyr A 624 1rwhA_624Y_515}P -10.431 -0.143 -7.595 { cd2 tyr A 624 1rwhA_624Y_515}-11.665 -0.272 -7.01 { ce2 tyr A 624 1rwhA_624Y_515}-12.788 0.45 -7.439 { cz tyr A 624 1rwhA_624Y_515}ghost -12.623 1.389 -8.426 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 624 1rwhA_624Y_515}P -9.257 -0.951 -7.14 {"}P -9.257 -0.951 -7.14 { cd1 tyr A 624 1rwhA_624Y_515}P -10.302 0.801 -8.633 { cd2 tyr A 624 1rwhA_624Y_515}P -11.665 -0.272 -7.01 { ce1 tyr A 624 1rwhA_624Y_515}P -11.391 1.567 -9.069 { ce2 tyr A 624 1rwhA_624Y_515}P -12.788 0.45 -7.439 { oh tyr A 624 1rwhA_624Y_515}P -13.696 2.118 -8.835 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CG TYR 624 A}'P' blue -10.942 1.374 -6.889 {"}'P' blue -10.875 1.267 -6.658 { CE1 TYR 624 A}'P' blue -11.261 1.717 -7.33 @dotlist {x} color= white width= 1 master= {vdw contact} { CD2 TYR 624 A}'P' green -11.285 1.424 -6.805 {"}'P' green -11.169 1.25 -6.304 {"}'P' green -11.35 1.011 -5.862 { CZ TYR 624 A}'P' green -11.675 2.053 -7.113 {"}'P' green -11.543 1.832 -7.123 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CD2 TYR 624 A}'P' P -11.6 1.414 -6.547 {"}'P' -11.603 1.331 -6.569 {"}'P' P -11.34 1.384 -6.548 {"}'P' -11.342 1.373 -6.551 {"}'P' P -11.673 1.328 -6.3 {"}'P' -11.673 1.214 -6.351 {"}'P' P -11.418 1.309 -6.301 {"}'P' -11.426 1.257 -6.324 {"}'P' P -11.858 1.192 -6.07 {"}'P' -11.845 1.099 -6.13 {"}'P' P -11.601 1.203 -6.07 {"}'P' -11.604 1.135 -6.113 {"}'P' P -11.346 1.17 -6.071 {"}'P' -11.346 1.167 -6.073 {"}'P' P -12.12 0.969 -5.864 {"}'P' -12.12 0.968 -5.865 {"}'P' P -11.868 1.032 -5.861 {"}'P' -11.864 1.008 -5.882 {"}'P' P -11.608 1.046 -5.86 {"}'P' -11.608 1.04 -5.866 { CE2 TYR 624 A}'P' P -12.796 2.05 -6.729 {"}'P' -12.796 2.017 -6.744 {"}'P' P -12.541 2.031 -6.73 {"}'P' -12.558 1.924 -6.778 {"}'P' P -12.292 1.972 -6.733 {"}'P' -12.341 1.823 -6.802 {"}'P' P -12.056 1.876 -6.737 {"}'P' -12.132 1.727 -6.81 {"}'P' P -11.837 1.744 -6.743 {"}'P' -11.918 1.634 -6.802 {"}'P' P -11.642 1.579 -6.75 {"}'P' -11.693 1.529 -6.78 {"}'P' P -12.981 1.914 -6.499 {"}'P' -12.978 1.897 -6.51 {"}'P' P -12.724 1.925 -6.499 {"}'P' -12.728 1.817 -6.568 {"}'P' P -11.787 1.548 -6.515 {"}'P' -11.887 1.438 -6.608 {"}'P' P -12.991 1.754 -6.29 {"}'P' -12.987 1.729 -6.313 {"}'P' P -12.731 1.768 -6.289 {"}'P' -12.736 1.655 -6.388 {"}'P' P -11.804 1.352 -6.307 {"}'P' -11.889 1.273 -6.406 {"}'P' P -12.981 1.568 -6.106 {"}'P' -12.979 1.556 -6.12 {"}'P' P -12.724 1.581 -6.106 {"}'P' -12.728 1.498 -6.204 {"}'P' P -12.017 1.3 -6.118 {"}'P' -12.091 1.219 -6.244 {"}'P' P -12.796 1.372 -5.951 {"}'P' -12.796 1.352 -5.984 {"}'P' P -12.541 1.34 -5.953 {"}'P' -12.556 1.285 -6.046 {"}'P' P -12.302 1.244 -5.957 {"}'P' -12.336 1.189 -6.059 {"}'P' P -12.097 1.089 -5.964 {"}'P' -12.123 1.065 -6.019 {"}'P' P -12.408 1.038 -5.835 {"}'P' -12.409 1.038 -5.836 { CZ TYR 624 A}'P' P -12.631 2.311 -6.938 {"}'P' -12.631 2.31 -6.94 {"}'P' P -12.376 2.279 -6.94 {"}'P' -12.384 2.248 -6.992 {"}'P' P -12.137 2.183 -6.944 {"}'P' -12.163 2.14 -7.024 {"}'P' P -11.932 2.028 -6.951 {"}'P' -11.968 1.994 -7.029 {"}'P' P -11.773 1.825 -6.96 {"}'P' -11.801 1.811 -7.008 {"}'P' P -12.491 2.067 -6.818 {"}'P' -12.498 2.03 -6.907 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { CE2 TYR 624 A}'P' P -12.469 1.892 -6.5 {"}'P' -12.508 1.715 -6.616 {"}'P' P -12.223 1.817 -6.503 {"}'P' -12.307 1.614 -6.642 {"}'P' P -11.993 1.701 -6.509 {"}'P' -12.104 1.527 -6.638 {"}'P' P -12.473 1.733 -6.291 {"}'P' -12.517 1.556 -6.449 {"}'P' P -12.227 1.649 -6.294 {"}'P' -12.316 1.459 -6.476 {"}'P' P -12.001 1.521 -6.3 {"}'P' -12.11 1.373 -6.458 {"}'P' P -12.47 1.54 -6.107 {"}'P' -12.507 1.412 -6.264 {"}'P' P -12.23 1.445 -6.112 {"}'P' -12.301 1.319 -6.279 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 515 A}'P' green -11.559 1.924 -7.038 {"}'P' green -11.398 1.471 -6.733 {"}'P' green -11.214 1.448 -6.512 {"}'P' green -11.246 1.233 -6.013 {"}'P' green -11.741 1.003 -5.762 {"}'P' green -11.995 0.973 -5.764 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 515 A}'P' P -12.003 2.175 -7.143 {"}'P' -12.003 2.172 -7.082 {"}'P' P -11.873 1.949 -7.123 {"}'P' -11.881 1.959 -7.052 {"}'P' P -12.133 1.949 -7.123 {"}'P' -12.119 1.967 -7.001 {"}'P' P -12.263 2.174 -7.114 {"}'P' -12.243 2.17 -7.026 {"}'P' P -11.742 1.735 -7.046 {"}'P' -11.75 1.748 -7.011 {"}'P' P -11.995 1.663 -7.049 {"}'P' -11.995 1.712 -6.935 {"}'P' P -12.249 1.727 -7.046 {"}'P' -12.217 1.779 -6.904 {"}'P' P -12.438 1.909 -7.039 {"}'P' -12.391 1.933 -6.922 {"}'P' P -12.511 2.162 -7.027 {"}'P' -12.478 2.159 -6.961 {"}'P' P -11.638 1.533 -6.915 {"}'P' -11.652 1.555 -6.881 {"}'P' P -11.876 1.446 -6.919 {"}'P' -11.893 1.534 -6.797 {"}'P' P -12.562 1.695 -6.908 {"}'P' -12.472 1.765 -6.758 {"}'P' P -12.688 1.915 -6.899 {"}'P' -12.634 1.931 -6.825 {"}'P' P -12.732 2.164 -6.888 {"}'P' -12.725 2.163 -6.878 {"}'P' P -11.615 1.328 -6.739 {"}'P' -11.636 1.371 -6.698 {"}'P' P -11.865 1.252 -6.742 {"}'P' -11.885 1.38 -6.63 {"}'P' P -12.768 1.655 -6.725 {"}'P' -12.654 1.725 -6.613 {"}'P' P -12.878 1.89 -6.714 {"}'P' -12.828 1.904 -6.672 {"}'P' P -11.404 1.279 -6.519 {"}'P' -11.43 1.316 -6.495 {"}'P' P -11.629 1.161 -6.524 {"}'P' -11.667 1.259 -6.469 {"}'P' P -11.876 1.101 -6.527 {"}'P' -11.893 1.234 -6.455 {"}'P' P -12.792 1.448 -6.512 {"}'P' -12.661 1.56 -6.423 {"}'P' P -12.936 1.657 -6.503 {"}'P' -12.85 1.7 -6.454 {"}'P' P -13.027 1.894 -6.492 {"}'P' -13.024 1.895 -6.491 {"}'P' P -11.285 1.249 -6.273 {"}'P' -11.291 1.256 -6.271 {"}'P' P -11.501 1.112 -6.279 {"}'P' -11.539 1.188 -6.256 {"}'P' P -11.741 1.026 -6.283 {"}'P' -11.77 1.148 -6.248 {"}'P' P -11.995 0.996 -6.284 {"}'P' -11.996 1.117 -6.25 {"}'P' P -12.249 1.023 -6.283 {"}'P' -12.212 1.188 -6.236 {"}'P' P -12.491 1.105 -6.279 {"}'P' -12.41 1.273 -6.229 {"}'P' P -12.708 1.239 -6.273 {"}'P' -12.605 1.368 -6.23 {"}'P' P -12.89 1.418 -6.265 {"}'P' -12.804 1.486 -6.237 {"}'P' P -13.027 1.634 -6.256 {"}'P' -13.001 1.646 -6.249 {"}'P' P -11.455 1.091 -6.019 {"}'P' -11.467 1.114 -6.018 {"}'P' P -11.69 0.998 -6.023 {"}'P' -11.709 1.066 -6.02 {"}'P' P -11.94 0.957 -6.025 {"}'P' -11.944 1.032 -6.022 {"}'P' P -12.192 0.971 -6.024 {"}'P' -12.182 1.034 -6.022 {"}'P' P -12.436 1.038 -6.021 {"}'P' -12.404 1.12 -6.018 {"}'P' P -12.66 1.157 -6.016 {"}'P' -12.616 1.221 -6.013 {"}'P' P -12.852 1.32 -6.009 {"}'P' -12.825 1.346 -6.008 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { HA3 GLY 515 A}'P' P -12.13 1.446 -6.919 {"}'P' -12.105 1.576 -6.738 {"}'P' P -12.368 1.533 -6.915 {"}'P' -12.294 1.653 -6.724 {"}'P' P -12.125 1.25 -6.742 {"}'P' -12.099 1.436 -6.579 {"}'P' P -12.375 1.321 -6.739 {"}'P' -12.286 1.513 -6.556 {"}'P' P -12.596 1.46 -6.733 {"}'P' -12.468 1.603 -6.57 {"}'P' P -12.13 1.101 -6.527 {"}'P' -12.106 1.298 -6.42 {"}'P' P -12.377 1.161 -6.524 {"}'P' -12.294 1.375 -6.402 {"}'P' P -12.602 1.279 -6.519 {"}'P' -12.475 1.459 -6.403 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 624 A}'M' greentint -9.415 2.551 -6.965 {"}'M' greentint -9.322 2.789 -6.954 {"}'M' greentint -9.184 3.005 -6.945 {"}'M' greentint -9.009 3.191 -6.937 {"}'M' greentint -9.491 2.425 -6.716 {"}'M' greentint -9.421 2.672 -6.705 {"}'M' greentint -9.306 2.902 -6.695 {"}'M' greentint -9.151 3.107 -6.686 {"}'M' greentint -8.961 3.28 -6.679 {"}'M' greentint -9.493 2.405 -6.458 {"}'M' greentint -9.424 2.653 -6.447 {"}'M' greentint -9.311 2.884 -6.437 {"}'M' greentint -9.157 3.09 -6.428 {"}'M' greentint -8.968 3.264 -6.421 {"}'M' greentint -9.461 2.274 -6.21 {"}'M' greentint -9.413 2.525 -6.199 {"}'M' greentint -9.318 2.763 -6.188 {"}'M' greentint -9.179 2.978 -6.179 {"}'M' greentint -9.003 3.163 -6.171 {"}'M' greentint -8.794 3.311 -6.164 {"}'M' greentint -9.319 2.503 -5.959 {"}'M' greentint -9.221 2.736 -5.948 {"}'M' greentint -9.077 2.945 -5.939 {"}'M' greentint -8.894 3.121 -5.932 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 515 A}'M' greentint -9.07 2.947 -7.09 {"}'M' greentint -9.206 2.726 -7.099 {"}'M' greentint -8.899 2.946 -6.882 {"}'M' greentint -9.009 2.712 -6.893 {"}'M' greentint -9.183 2.522 -6.901 {"}'M' greentint -9.405 2.39 -6.907 {"}'M' greentint -8.863 3.201 -6.871 {"}'M' greentint -8.796 2.933 -6.641 {"}'M' greentint -8.892 2.7 -6.652 {"}'M' greentint -9.046 2.5 -6.66 {"}'M' greentint -9.246 2.347 -6.667 {"}'M' greentint -9.479 2.25 -6.671 {"}'M' greentint -8.763 3.182 -6.631 {"}'M' greentint -8.758 2.93 -6.383 {"}'M' greentint -8.849 2.697 -6.393 {"}'M' greentint -8.995 2.493 -6.402 {"}'M' greentint -9.186 2.332 -6.409 {"}'M' greentint -9.412 2.223 -6.413 {"}'M' greentint -8.729 3.179 -6.372 {"}'M' greentint -8.796 2.91 -6.124 {"}'M' greentint -8.892 2.677 -6.134 {"}'M' greentint -9.046 2.477 -6.143 {"}'M' greentint -9.246 2.324 -6.15 {"}'M' greentint -8.763 3.16 -6.113 {"}'M' greentint -8.899 2.902 -5.883 {"}'M' greentint -9.009 2.669 -5.893 {"}'M' greentint -9.183 2.478 -5.902 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 624 A}'M' green -10.069 1.71 -4.939 {"}'M' green -8.946 1.916 -4.429 {"}'M' green -9.263 1.591 -4.077 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 624 A}'M' greentint -9.899 1.894 -4.931 {"}'M' greentint -9.688 2.03 -4.925 {"}'M' greentint -9.45 2.109 -4.921 {"}'M' greentint -9.2 2.127 -4.92 {"}'M' greentint -10.092 1.6 -4.684 {"}'M' greentint -9.938 1.8 -4.676 {"}'M' greentint -9.738 1.953 -4.669 {"}'M' greentint -9.505 2.05 -4.665 {"}'M' greentint -9.255 2.083 -4.663 {"}'M' greentint -9.005 2.05 -4.665 {"}'M' greentint -10.039 1.475 -4.448 {"}'M' greentint -9.895 1.69 -4.439 {"}'M' greentint -9.695 1.852 -4.432 {"}'M' greentint -9.456 1.949 -4.428 {"}'M' greentint -9.199 1.971 -4.427 {"}'M' greentint -9.856 1.47 -4.241 {"}'M' greentint -9.681 1.662 -4.233 {"}'M' greentint -9.449 1.778 -4.228 {"}'M' greentint -9.19 1.802 -4.227 {"}'M' greentint -9.512 1.52 -4.08 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 515 A}'M' green -9.343 2.148 -5.063 {"}'M' green -9.126 2.118 -4.873 {"}'M' green -8.958 2.104 -4.654 {"}'M' green -9.858 1.411 -4.189 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 515 A}'M' greentint -9.553 2 -5.069 {"}'M' greentint -9.795 1.915 -5.073 {"}'M' greentint -9.313 1.938 -4.881 {"}'M' greentint -9.537 1.807 -4.886 {"}'M' greentint -9.785 1.731 -4.89 {"}'M' greentint -10.044 1.714 -4.891 {"}'M' greentint -9.124 1.912 -4.662 {"}'M' greentint -9.324 1.757 -4.669 {"}'M' greentint -9.552 1.645 -4.674 {"}'M' greentint -9.797 1.582 -4.676 {"}'M' greentint -10.05 1.569 -4.677 {"}'M' greentint -9.007 1.886 -4.422 {"}'M' greentint -9.199 1.718 -4.429 {"}'M' greentint -9.42 1.588 -4.435 {"}'M' greentint -9.662 1.503 -4.439 {"}'M' greentint -9.915 1.465 -4.44 {"}'M' greentint -9.147 1.686 -4.177 {"}'M' greentint -9.366 1.551 -4.182 {"}'M' greentint -9.606 1.458 -4.187 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ile A 133 1sx5A_169F_135}P -8.038 5.707 -11.744 {"}-8.038 5.707 -11.744 { ca ile A 133 1sx5A_169F_135}-9.146 5.782 -10.788 { c ile A 133 1sx5A_169F_135}-8.679 5.059 -9.51 { o ile A 133 1sx5A_169F_135}-8.207 3.912 -9.598 { c ile A 133 1sx5A_169F_135}P -8.679 5.059 -9.51 { n ile A 134 1sx5A_169F_135}-8.792 5.735 -8.379 { ca ile A 134 1sx5A_169F_135}-8.546 5.124 -7.088 { c ile A 134 1sx5A_169F_135}-10 4.867 -6.68 { o ile A 134 1sx5A_169F_135}-10.773 5.823 -6.473 { c ile A 134 1sx5A_169F_135}P -10 4.867 -6.68 { n gly A 135 1sx5A_169F_135}-10.368 3.598 -6.621 { ca gly A 135 1sx5A_169F_135}-11.73 3.206 -6.242 { c gly A 135 1sx5A_169F_135}-11.79 2.67 -4.824 { o gly A 135 1sx5A_169F_135}-10.954 1.826 -4.423 { c gly A 135 1sx5A_169F_135}P -11.79 2.67 -4.824 { n tyr A 136 1sx5A_169F_135}-12.753 3.18 -4.044 { ca tyr A 136 1sx5A_169F_135}-12.956 2.752 -2.668 { c tyr A 136 1sx5A_169F_135}-14.302 2.046 -2.589 { o tyr A 136 1sx5A_169F_135}-15.264 2.543 -3.152 { c tyr A 136 1sx5A_169F_135}P -14.302 2.046 -2.589 { n val A 137 1sx5A_169F_135}-14.341 0.897 -1.932 { ca val A 137 1sx5A_169F_135}-15.628 0.206 -1.706 { c val A 137 1sx5A_169F_135}-15.728 -0.067 -0.212 { o val A 137 1sx5A_169F_135}-14.756 -0.339 0.415 { n lys A 167 1sx5A_169F_135}P -12.119 -1.475 0.973 {"}-12.119 -1.475 0.973 { ca lys A 167 1sx5A_169F_135}-11.1 -2.028 0.045 { c lys A 167 1sx5A_169F_135}-10.756 -0.891 -0.923 { o lys A 167 1sx5A_169F_135}-11.613 -0.052 -1.25 { c lys A 167 1sx5A_169F_135}P -10.756 -0.891 -0.923 { n val A 168 1sx5A_169F_135}-9.54 -0.898 -1.441 { ca val A 168 1sx5A_169F_135}-9.14 0.182 -2.352 { c val A 168 1sx5A_169F_135}-8.377 -0.408 -3.548 { o val A 168 1sx5A_169F_135}-7.693 -1.438 -3.445 { c val A 168 1sx5A_169F_135}P -8.377 -0.408 -3.548 { n phe A 169 1sx5A_169F_135}-8.582 0.192 -4.721 { ca phe A 169 1sx5A_169F_135}-7.786 -0.269 -5.886 { c phe A 169 1sx5A_169F_135}-7.346 0.97 -6.674 { o phe A 169 1sx5A_169F_135}-7.872 2.085 -6.454 { c phe A 169 1sx5A_169F_135}P -7.346 0.97 -6.674 { n leu A 170 1sx5A_169F_135}-6.396 0.744 -7.602 { ca leu A 170 1sx5A_169F_135}-5.903 1.822 -8.468 { c leu A 170 1sx5A_169F_135}-5.874 1.155 -9.817 { o leu A 170 1sx5A_169F_135}-5.144 0.17 -10.014 { c leu A 170 1sx5A_169F_135}P -5.874 1.155 -9.817 { n gln A 171 1sx5A_169F_135}-6.634 1.706 -10.751 { ca gln A 171 1sx5A_169F_135}-6.681 1.116 -12.092 { c gln A 171 1sx5A_169F_135}-6.9 2.165 -13.175 { o gln A 171 1sx5A_169F_135}-7.404 3.247 -12.879 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ile A 133 1sx5A_169F_135}P -8.038 5.707 -11.744 { ca ile A 133 1sx5A_169F_135}P -9.146 5.782 -10.788 { n ile A 134 1sx5A_169F_135}P -8.792 5.735 -8.379 { ca ile A 134 1sx5A_169F_135}P -8.546 5.124 -7.088 { n gly A 135 1sx5A_169F_135}P -10.368 3.598 -6.621 { ca gly A 135 1sx5A_169F_135}P -11.73 3.206 -6.242 {"}P -11.73 3.206 -6.242 { n tyr A 136 1sx5A_169F_135}P -12.753 3.18 -4.044 { ca tyr A 136 1sx5A_169F_135}P -12.956 2.752 -2.668 { n val A 137 1sx5A_169F_135}P -14.341 0.897 -1.932 { ca val A 137 1sx5A_169F_135}P -15.628 0.206 -1.706 { n lys A 167 1sx5A_169F_135}P -12.119 -1.475 0.973 { ca lys A 167 1sx5A_169F_135}P -11.1 -2.028 0.045 { n val A 168 1sx5A_169F_135}P -9.54 -0.898 -1.441 { ca val A 168 1sx5A_169F_135}P -9.14 0.182 -2.352 { n phe A 169 1sx5A_169F_135}P -8.582 0.192 -4.721 { ca phe A 169 1sx5A_169F_135}P -7.786 -0.269 -5.886 { n leu A 170 1sx5A_169F_135}P -6.396 0.744 -7.602 { ca leu A 170 1sx5A_169F_135}P -5.903 1.822 -8.468 { n gln A 171 1sx5A_169F_135}P -6.634 1.706 -10.751 { ca gln A 171 1sx5A_169F_135}P -6.681 1.116 -12.092 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ile A 133 1sx5A_169F_135}P -9.146 5.782 -10.788 {"}-9.146 5.782 -10.788 { ca ile A 134 1sx5A_169F_135}-8.546 5.124 -7.088 { ca gly A 135 1sx5A_169F_135}-11.73 3.206 -6.242 { ca tyr A 136 1sx5A_169F_135}-12.956 2.752 -2.668 { ca val A 137 1sx5A_169F_135}-15.628 0.206 -1.706 { ca lys A 167 1sx5A_169F_135}P -11.1 -2.028 0.045 {"}-11.1 -2.028 0.045 { ca val A 168 1sx5A_169F_135}-9.14 0.182 -2.352 { ca phe A 169 1sx5A_169F_135}-7.786 -0.269 -5.886 { ca leu A 170 1sx5A_169F_135}-5.903 1.822 -8.468 { ca gln A 171 1sx5A_169F_135}-6.681 1.116 -12.092 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ile A 133 1sx5A_169F_135}P -9.146 5.782 -10.788 { ca ile A 134 1sx5A_169F_135}P -8.546 5.124 -7.088 { ca tyr A 136 1sx5A_169F_135}P -12.956 2.752 -2.668 { ca val A 137 1sx5A_169F_135}P -15.628 0.206 -1.706 { ca lys A 167 1sx5A_169F_135}P -11.1 -2.028 0.045 { ca val A 168 1sx5A_169F_135}P -9.14 0.182 -2.352 { ca phe A 169 1sx5A_169F_135}P -7.786 -0.269 -5.886 { cb phe A 169 1sx5A_169F_135}-8.559 -1.252 -6.794 { cg phe A 169 1sx5A_169F_135}-9.792 -0.63 -7.497 { cd1 phe A 169 1sx5A_169F_135}-9.651 0.236 -8.599 { ce1 phe A 169 1sx5A_169F_135}-10.796 0.819 -9.216 { cz phe A 169 1sx5A_169F_135}-12.072 0.517 -8.734 { cg phe A 169 1sx5A_169F_135}P -9.792 -0.63 -7.497 { cd2 phe A 169 1sx5A_169F_135}-11.058 -0.937 -7.016 { ce2 phe A 169 1sx5A_169F_135}-12.227 -0.361 -7.644 { cz phe A 169 1sx5A_169F_135}ghost -12.072 0.517 -8.734 { ca leu A 170 1sx5A_169F_135}P -5.903 1.822 -8.468 { ca gln A 171 1sx5A_169F_135}P -6.681 1.116 -12.092 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 169 1sx5A_169F_135}P -8.559 -1.252 -6.794 {"}P -8.559 -1.252 -6.794 { cd1 phe A 169 1sx5A_169F_135}P -9.651 0.236 -8.599 { cd2 phe A 169 1sx5A_169F_135}P -11.058 -0.937 -7.016 { ce1 phe A 169 1sx5A_169F_135}P -10.796 0.819 -9.216 { ce2 phe A 169 1sx5A_169F_135}P -12.227 -0.361 -7.644 { cz phe A 169 1sx5A_169F_135}P -12.072 0.517 -8.734 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 169 1sx5A_169F_135}P -7.786 -0.269 -5.886 { cb phe A 169 1sx5A_169F_135}-8.559 -1.252 -6.794 { cg phe A 169 1sx5A_169F_135}-9.792 -0.63 -7.497 { cd1 phe A 169 1sx5A_169F_135}-9.651 0.236 -8.599 { ce1 phe A 169 1sx5A_169F_135}-10.796 0.819 -9.216 { cz phe A 169 1sx5A_169F_135}-12.072 0.517 -8.734 { cg phe A 169 1sx5A_169F_135}P -9.792 -0.63 -7.497 { cd2 phe A 169 1sx5A_169F_135}-11.058 -0.937 -7.016 { ce2 phe A 169 1sx5A_169F_135}-12.227 -0.361 -7.644 { cz phe A 169 1sx5A_169F_135}ghost -12.072 0.517 -8.734 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 169 1sx5A_169F_135}P -8.559 -1.252 -6.794 {"}P -8.559 -1.252 -6.794 { cd1 phe A 169 1sx5A_169F_135}P -9.651 0.236 -8.599 { cd2 phe A 169 1sx5A_169F_135}P -11.058 -0.937 -7.016 { ce1 phe A 169 1sx5A_169F_135}P -10.796 0.819 -9.216 { ce2 phe A 169 1sx5A_169F_135}P -12.227 -0.361 -7.644 { cz phe A 169 1sx5A_169F_135}P -12.072 0.517 -8.734 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 169 A}'P' sky -11.478 2.133 -8.283 {"}'P' sky -11.251 2.06 -8.07 {"}'P' blue -10.989 1.937 -7.883 {"}'P' sky -11.059 1.705 -7.73 { CE2 PHE 169 A}'P' sky -11.412 1.119 -7.19 {"}'P' sky -12.738 1.156 -6.938 {"}'P' sky -11.495 1.065 -6.942 {"}'P' sky -11.662 1.006 -6.708 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 169 A}'P' sea -11.237 1.868 -7.886 { CE2 PHE 169 A}'P' sea -12.679 1.266 -7.183 {"}'P' green -12.423 1.315 -7.181 {"}'P' green -11.65 1.226 -7.185 {"}'P' green -12.49 1.217 -6.935 {"}'P' green -12.235 1.239 -6.934 {"}'P' green -11.98 1.22 -6.935 {"}'P' sea -11.731 1.161 -6.938 {"}'P' sea -12.42 1.103 -6.704 {"}'P' sea -12.163 1.114 -6.704 {"}'P' sea -11.908 1.081 -6.705 { CZ PHE 169 A}'P' green -12.583 2.034 -8.028 {"}'P' green -11.825 2.098 -8.025 {"}'P' green -11.576 2.039 -8.028 {"}'P' green -12.754 1.831 -7.801 {"}'P' green -11.507 1.884 -7.798 {"}'P' green -12.763 1.649 -7.592 {"}'P' green -12.74 1.445 -7.409 {"}'P' green -11.514 1.512 -7.407 {"}'P' green -11.586 1.311 -7.252 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 PHE 169 A}'P' P -12.162 1.325 -7.181 {"}'P' -12.162 1.311 -7.184 { CZ PHE 169 A}'P' P -12.335 2.095 -8.025 {"}'P' -12.334 2.092 -8.026 {"}'P' P -12.08 2.117 -8.024 {"}'P' -12.08 2.099 -8.032 {"}'P' P -12.516 1.927 -7.797 {"}'P' -12.505 1.891 -7.82 {"}'P' P -12.265 1.981 -7.794 {"}'P' -12.254 1.903 -7.844 {"}'P' P -12.008 1.992 -7.794 {"}'P' -12.011 1.907 -7.848 {"}'P' P -11.753 1.959 -7.795 {"}'P' -11.765 1.906 -7.83 {"}'P' P -12.527 1.758 -7.588 {"}'P' -12.51 1.71 -7.632 {"}'P' P -12.275 1.821 -7.585 {"}'P' -12.26 1.725 -7.67 {"}'P' P -12.015 1.835 -7.584 {"}'P' -12.02 1.729 -7.677 {"}'P' P -11.757 1.8 -7.586 {"}'P' -11.775 1.727 -7.651 {"}'P' P -11.511 1.716 -7.589 {"}'P' -11.517 1.704 -7.601 {"}'P' P -12.513 1.566 -7.404 {"}'P' -12.5 1.537 -7.441 {"}'P' P -12.265 1.635 -7.401 {"}'P' -12.252 1.562 -7.488 {"}'P' P -12.008 1.648 -7.401 {"}'P' -12.012 1.568 -7.496 {"}'P' P -11.754 1.607 -7.402 {"}'P' -11.768 1.558 -7.462 {"}'P' P -12.335 1.403 -7.248 {"}'P' -12.33 1.387 -7.275 {"}'P' P -12.08 1.439 -7.246 {"}'P' -12.08 1.406 -7.299 {"}'P' P -11.825 1.407 -7.248 {"}'P' -11.829 1.392 -7.273 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 135 A}'P' blue -11.218 2.221 -7.679 {"}'P' blue -11.165 1.972 -7.468 {"}'P' sky -11.55 1.406 -6.984 {"}'P' sky -12.755 1.472 -6.981 {"}'P' sky -11.596 1.404 -6.724 {"}'P' sky -12.586 1.397 -6.724 {"}'P' sky -12.225 1.371 -6.477 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 135 A}'P' green -11.539 2.01 -7.873 {"}'P' green -12.657 2.01 -7.873 {"}'P' green -12.697 1.594 -7.484 {"}'P' green -11.596 1.427 -7.244 {"}'P' green -12.586 1.42 -7.244 {"}'P' green -11.785 1.313 -6.988 {"}'P' green -12.035 1.272 -6.99 {"}'P' green -12.287 1.286 -6.989 {"}'P' green -12.531 1.353 -6.986 {"}'P' sea -11.836 1.318 -6.727 {"}'P' green -12.09 1.288 -6.729 {"}'P' sea -12.344 1.315 -6.727 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 135 A}'P' P -11.837 2.05 -8.011 {"}'P' -11.841 2.057 -7.993 {"}'P' P -12.09 1.978 -8.014 {"}'P' -12.09 2.002 -7.959 {"}'P' P -12.344 2.042 -8.011 {"}'P' -12.34 2.049 -7.993 {"}'P' P -11.733 1.848 -7.88 {"}'P' -11.754 1.881 -7.827 {"}'P' P -11.971 1.761 -7.884 {"}'P' -11.984 1.831 -7.787 {"}'P' P -12.225 1.761 -7.884 {"}'P' -12.212 1.829 -7.789 {"}'P' P -12.463 1.848 -7.88 {"}'P' -12.444 1.878 -7.832 {"}'P' P -11.493 1.786 -7.698 {"}'P' -11.496 1.789 -7.694 {"}'P' P -11.71 1.643 -7.704 {"}'P' -11.741 1.705 -7.645 {"}'P' P -11.96 1.567 -7.707 {"}'P' -11.976 1.671 -7.616 {"}'P' P -12.22 1.565 -7.707 {"}'P' -12.206 1.668 -7.617 {"}'P' P -12.47 1.636 -7.704 {"}'P' -12.442 1.697 -7.646 {"}'P' P -12.691 1.775 -7.698 {"}'P' -12.689 1.777 -7.696 {"}'P' P -11.499 1.594 -7.484 {"}'P' -11.5 1.596 -7.483 {"}'P' P -11.724 1.476 -7.489 {"}'P' -11.747 1.534 -7.456 {"}'P' P -11.971 1.416 -7.492 {"}'P' -11.983 1.509 -7.441 {"}'P' P -12.225 1.416 -7.492 {"}'P' -12.214 1.507 -7.442 {"}'P' P -12.472 1.476 -7.489 {"}'P' -12.451 1.529 -7.459 {"}'P' P -11.836 1.341 -7.248 {"}'P' -11.84 1.357 -7.243 {"}'P' P -12.09 1.311 -7.249 {"}'P' -12.09 1.343 -7.24 {"}'P' P -12.344 1.338 -7.248 {"}'P' -12.341 1.352 -7.244 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 169 A}'M' green -8.983 2.243 -7.292 {"}'M' green -8.925 2.496 -7.281 {"}'M' green -8.81 2.728 -7.27 {"}'M' green -9.212 1.966 -6.843 {"}'M' green -8.76 3.113 -6.793 {"}'M' green -9.266 2.071 -6.325 {"}'M' green -8.908 3.012 -6.284 {"}'M' green -9.164 2.447 -6.055 {"}'M' green -9.069 2.685 -6.044 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 169 A}'M' greentint -9.119 2.239 -7.072 {"}'M' greentint -9.068 2.487 -7.061 {"}'M' greentint -8.968 2.72 -7.051 {"}'M' greentint -8.823 2.928 -7.042 {"}'M' greentint -9.213 2.221 -6.832 {"}'M' greentint -9.166 2.473 -6.821 {"}'M' greentint -9.073 2.711 -6.81 {"}'M' greentint -8.935 2.927 -6.801 {"}'M' greentint -9.266 2.091 -6.583 {"}'M' greentint -9.242 2.347 -6.572 {"}'M' greentint -9.172 2.594 -6.561 {"}'M' greentint -9.057 2.824 -6.551 {"}'M' greentint -8.902 3.029 -6.542 {"}'M' greentint -9.244 2.327 -6.314 {"}'M' greentint -9.175 2.575 -6.303 {"}'M' greentint -9.062 2.806 -6.293 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 135 A}'M' green -9.217 1.991 -6.863 {"}'M' green -8.793 3.086 -6.815 {"}'M' green -9.277 1.983 -6.604 {"}'M' green -9.237 2.323 -6.14 {"}'M' green -9.053 2.799 -6.12 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 135 A}'M' greentint -8.827 2.592 -7.095 {"}'M' greentint -8.923 2.359 -7.106 {"}'M' greentint -9.077 2.159 -7.114 {"}'M' greentint -8.794 2.841 -7.085 {"}'M' greentint -8.789 2.589 -6.837 {"}'M' greentint -8.88 2.356 -6.847 {"}'M' greentint -9.026 2.152 -6.856 {"}'M' greentint -8.76 2.838 -6.826 {"}'M' greentint -8.827 2.569 -6.578 {"}'M' greentint -8.923 2.336 -6.588 {"}'M' greentint -9.077 2.136 -6.597 {"}'M' greentint -8.827 3.068 -6.557 {"}'M' greentint -8.794 2.819 -6.567 {"}'M' greentint -8.93 2.561 -6.337 {"}'M' greentint -9.04 2.328 -6.347 {"}'M' greentint -9.214 2.137 -6.356 {"}'M' greentint -8.894 2.816 -6.326 {"}'M' greentint -9.101 2.544 -6.131 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 169 A}'M' greentint -10.197 0.944 -5.154 {"}'M' greentint -10.164 1.194 -5.143 {"}'M' greentint -10.068 1.427 -5.133 {"}'M' greentint -9.914 1.627 -5.124 {"}'M' greentint -10.222 0.8 -4.901 {"}'M' greentint -10.224 1.05 -4.89 {"}'M' greentint -10.164 1.293 -4.879 {"}'M' greentint -10.045 1.514 -4.87 {"}'M' greentint -9.875 1.698 -4.862 {"}'M' greentint -9.664 1.834 -4.856 {"}'M' greentint -10.197 0.922 -4.636 {"}'M' greentint -10.164 1.171 -4.626 {"}'M' greentint -10.068 1.404 -4.615 {"}'M' greentint -9.914 1.604 -4.607 {"}'M' greentint -9.714 1.757 -4.6 {"}'M' greentint -10.086 0.774 -4.401 {"}'M' greentint -10.089 1.032 -4.39 {"}'M' greentint -10.015 1.279 -4.379 {"}'M' greentint -9.871 1.494 -4.37 {"}'M' greentint -9.671 1.656 -4.363 {"}'M' greentint -9.926 1.032 -4.183 {"}'M' greentint -9.832 1.274 -4.172 {"}'M' greentint -9.657 1.466 -4.164 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 135 A}'M' green -9.865 1.613 -5.277 {"}'M' green -9.56 1.832 -4.552 {"}'M' green -9.704 1.309 -4.062 {"}'M' green -9.821 1.082 -4.072 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 135 A}'M' greentint -9.952 1.369 -5.287 {"}'M' greentint -10.093 1.152 -5.297 {"}'M' greentint -9.726 1.601 -5.057 {"}'M' greentint -9.802 1.359 -5.068 {"}'M' greentint -9.925 1.138 -5.078 {"}'M' greentint -10.091 0.946 -5.086 {"}'M' greentint -9.63 1.596 -4.817 {"}'M' greentint -9.701 1.35 -4.827 {"}'M' greentint -9.817 1.122 -4.837 {"}'M' greentint -9.974 0.92 -4.846 {"}'M' greentint -10.166 0.752 -4.853 {"}'M' greentint -9.607 1.851 -4.805 {"}'M' greentint -9.584 1.576 -4.563 {"}'M' greentint -9.654 1.329 -4.574 {"}'M' greentint -9.769 1.098 -4.584 {"}'M' greentint -9.924 0.893 -4.593 {"}'M' greentint -10.114 0.72 -4.601 {"}'M' greentint -9.582 1.573 -4.305 {"}'M' greentint -9.651 1.325 -4.316 {"}'M' greentint -9.764 1.094 -4.326 {"}'M' greentint -9.918 0.888 -4.335 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n met A 97 1uaiA_99F_160G}P -11.935 -1.966 0.505 {"}-11.935 -1.966 0.505 { ca met A 97 1uaiA_99F_160G}-11.064 -2.32 -0.603 { c met A 97 1uaiA_99F_160G}-10.719 -1.02 -1.303 { o met A 97 1uaiA_99F_160G}-11.605 -0.265 -1.715 { c met A 97 1uaiA_99F_160G}P -10.719 -1.02 -1.303 { n val A 98 1uaiA_99F_160G}-9.425 -0.744 -1.386 { ca val A 98 1uaiA_99F_160G}-8.928 0.43 -2.084 { c val A 98 1uaiA_99F_160G}-8.147 -0.126 -3.26 { o val A 98 1uaiA_99F_160G}-7.315 -1.022 -3.095 { c val A 98 1uaiA_99F_160G}P -8.147 -0.126 -3.26 { n phe A 99 1uaiA_99F_160G}-8.419 0.389 -4.448 { ca phe A 99 1uaiA_99F_160G}-7.715 -0.084 -5.624 { c phe A 99 1uaiA_99F_160G}-7.455 1.054 -6.592 { o phe A 99 1uaiA_99F_160G}-8.153 2.068 -6.581 { c phe A 99 1uaiA_99F_160G}P -7.455 1.054 -6.592 { n arg A 100 1uaiA_99F_160G}-6.414 0.895 -7.397 { ca arg A 100 1uaiA_99F_160G}-6.085 1.874 -8.42 { c arg A 100 1uaiA_99F_160G}-6.003 1.072 -9.698 { o arg A 100 1uaiA_99F_160G}-5.247 0.105 -9.781 { c arg A 100 1uaiA_99F_160G}P -6.003 1.072 -9.698 { n glu A 101 1uaiA_99F_160G}-6.796 1.455 -10.69 { ca glu A 101 1uaiA_99F_160G}-6.793 0.726 -11.943 { c glu A 101 1uaiA_99F_160G}-7.132 1.634 -13.102 { o glu A 101 1uaiA_99F_160G}-7.521 2.792 -12.924 { n phe A 158 1uaiA_99F_160G}P -7.44 5.609 -11.962 {"}-7.44 5.609 -11.962 { ca phe A 158 1uaiA_99F_160G}-8.281 6.238 -10.954 { c phe A 158 1uaiA_99F_160G}-8.22 5.375 -9.708 { o phe A 158 1uaiA_99F_160G}-7.806 4.211 -9.764 { c phe A 158 1uaiA_99F_160G}P -8.22 5.375 -9.708 { n glu A 159 1uaiA_99F_160G}-8.607 5.957 -8.581 { ca glu A 159 1uaiA_99F_160G}-8.611 5.233 -7.326 { c glu A 159 1uaiA_99F_160G}-10.05 5.001 -6.898 { o glu A 159 1uaiA_99F_160G}-10.82 5.947 -6.728 { c glu A 159 1uaiA_99F_160G}P -10.05 5.001 -6.898 { n gly A 160 1uaiA_99F_160G}-10.415 3.734 -6.755 { ca gly A 160 1uaiA_99F_160G}-11.756 3.404 -6.322 { c gly A 160 1uaiA_99F_160G}-11.692 2.854 -4.915 { o gly A 160 1uaiA_99F_160G}-10.663 2.324 -4.489 { c gly A 160 1uaiA_99F_160G}P -11.692 2.854 -4.915 { n lys A 161 1uaiA_99F_160G}-12.783 2.999 -4.176 { ca lys A 161 1uaiA_99F_160G}-12.826 2.474 -2.823 { c lys A 161 1uaiA_99F_160G}-14.227 2.066 -2.414 { o lys A 161 1uaiA_99F_160G}-15.199 2.769 -2.695 { c lys A 161 1uaiA_99F_160G}P -14.227 2.066 -2.414 { n phe A 162 1uaiA_99F_160G}-14.315 0.906 -1.774 { ca phe A 162 1uaiA_99F_160G}-15.568 0.395 -1.234 { c phe A 162 1uaiA_99F_160G}-15.361 0.357 0.276 { o phe A 162 1uaiA_99F_160G}-14.335 -0.14 0.745 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n met A 97 1uaiA_99F_160G}P -11.935 -1.966 0.505 { ca met A 97 1uaiA_99F_160G}P -11.064 -2.32 -0.603 { n val A 98 1uaiA_99F_160G}P -9.425 -0.744 -1.386 { ca val A 98 1uaiA_99F_160G}P -8.928 0.43 -2.084 { n phe A 99 1uaiA_99F_160G}P -8.419 0.389 -4.448 { ca phe A 99 1uaiA_99F_160G}P -7.715 -0.084 -5.624 { n arg A 100 1uaiA_99F_160G}P -6.414 0.895 -7.397 { ca arg A 100 1uaiA_99F_160G}P -6.085 1.874 -8.42 { n glu A 101 1uaiA_99F_160G}P -6.796 1.455 -10.69 { ca glu A 101 1uaiA_99F_160G}P -6.793 0.726 -11.943 { n phe A 158 1uaiA_99F_160G}P -7.44 5.609 -11.962 { ca phe A 158 1uaiA_99F_160G}P -8.281 6.238 -10.954 { n glu A 159 1uaiA_99F_160G}P -8.607 5.957 -8.581 { ca glu A 159 1uaiA_99F_160G}P -8.611 5.233 -7.326 { n gly A 160 1uaiA_99F_160G}P -10.415 3.734 -6.755 { ca gly A 160 1uaiA_99F_160G}P -11.756 3.404 -6.322 {"}P -11.756 3.404 -6.322 { n lys A 161 1uaiA_99F_160G}P -12.783 2.999 -4.176 { ca lys A 161 1uaiA_99F_160G}P -12.826 2.474 -2.823 { n phe A 162 1uaiA_99F_160G}P -14.315 0.906 -1.774 { ca phe A 162 1uaiA_99F_160G}P -15.568 0.395 -1.234 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca met A 97 1uaiA_99F_160G}P -11.064 -2.32 -0.603 {"}-11.064 -2.32 -0.603 { ca val A 98 1uaiA_99F_160G}-8.928 0.43 -2.084 { ca phe A 99 1uaiA_99F_160G}-7.715 -0.084 -5.624 { ca arg A 100 1uaiA_99F_160G}-6.085 1.874 -8.42 { ca glu A 101 1uaiA_99F_160G}-6.793 0.726 -11.943 { ca phe A 158 1uaiA_99F_160G}P -8.281 6.238 -10.954 {"}-8.281 6.238 -10.954 { ca glu A 159 1uaiA_99F_160G}-8.611 5.233 -7.326 { ca gly A 160 1uaiA_99F_160G}-11.756 3.404 -6.322 { ca lys A 161 1uaiA_99F_160G}-12.826 2.474 -2.823 { ca phe A 162 1uaiA_99F_160G}-15.568 0.395 -1.234 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca met A 97 1uaiA_99F_160G}P -11.064 -2.32 -0.603 { ca val A 98 1uaiA_99F_160G}P -8.928 0.43 -2.084 { ca phe A 99 1uaiA_99F_160G}P -7.715 -0.084 -5.624 { cb phe A 99 1uaiA_99F_160G}-8.529 -1.187 -6.319 { cg phe A 99 1uaiA_99F_160G}-9.844 -0.716 -6.883 { cd1 phe A 99 1uaiA_99F_160G}-9.928 -0.235 -8.188 { ce1 phe A 99 1uaiA_99F_160G}-11.139 0.219 -8.704 { cz phe A 99 1uaiA_99F_160G}-12.283 0.197 -7.91 { cg phe A 99 1uaiA_99F_160G}P -9.844 -0.716 -6.883 { cd2 phe A 99 1uaiA_99F_160G}-10.997 -0.734 -6.102 { ce2 phe A 99 1uaiA_99F_160G}-12.21 -0.281 -6.609 { cz phe A 99 1uaiA_99F_160G}ghost -12.283 0.197 -7.91 { ca arg A 100 1uaiA_99F_160G}P -6.085 1.874 -8.42 { ca glu A 101 1uaiA_99F_160G}P -6.793 0.726 -11.943 { ca phe A 158 1uaiA_99F_160G}P -8.281 6.238 -10.954 { ca glu A 159 1uaiA_99F_160G}P -8.611 5.233 -7.326 { ca lys A 161 1uaiA_99F_160G}P -12.826 2.474 -2.823 { ca phe A 162 1uaiA_99F_160G}P -15.568 0.395 -1.234 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 99 1uaiA_99F_160G}P -8.529 -1.187 -6.319 {"}P -8.529 -1.187 -6.319 { cd1 phe A 99 1uaiA_99F_160G}P -9.928 -0.235 -8.188 { cd2 phe A 99 1uaiA_99F_160G}P -10.997 -0.734 -6.102 { ce1 phe A 99 1uaiA_99F_160G}P -11.139 0.219 -8.704 { ce2 phe A 99 1uaiA_99F_160G}P -12.21 -0.281 -6.609 { cz phe A 99 1uaiA_99F_160G}P -12.283 0.197 -7.91 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 99 1uaiA_99F_160G}P -7.715 -0.084 -5.624 { cb phe A 99 1uaiA_99F_160G}-8.529 -1.187 -6.319 { cg phe A 99 1uaiA_99F_160G}-9.844 -0.716 -6.883 { cd1 phe A 99 1uaiA_99F_160G}-9.928 -0.235 -8.188 { ce1 phe A 99 1uaiA_99F_160G}-11.139 0.219 -8.704 { cz phe A 99 1uaiA_99F_160G}-12.283 0.197 -7.91 { cg phe A 99 1uaiA_99F_160G}P -9.844 -0.716 -6.883 { cd2 phe A 99 1uaiA_99F_160G}-10.997 -0.734 -6.102 { ce2 phe A 99 1uaiA_99F_160G}-12.21 -0.281 -6.609 { cz phe A 99 1uaiA_99F_160G}ghost -12.283 0.197 -7.91 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 99 1uaiA_99F_160G}P -8.529 -1.187 -6.319 {"}P -8.529 -1.187 -6.319 { cd1 phe A 99 1uaiA_99F_160G}P -9.928 -0.235 -8.188 { cd2 phe A 99 1uaiA_99F_160G}P -10.997 -0.734 -6.102 { ce1 phe A 99 1uaiA_99F_160G}P -11.139 0.219 -8.704 { ce2 phe A 99 1uaiA_99F_160G}P -12.21 -0.281 -6.609 { cz phe A 99 1uaiA_99F_160G}P -12.283 0.197 -7.91 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 99 A}'P' blue -11.402 1.797 -7.995 {"}'P' sky -11.332 1.683 -7.764 { CE2 PHE 99 A}'P' sky -12.848 1.348 -6.669 {"}'P' sky -11.572 1.348 -6.669 {"}'P' sky -12.606 1.411 -6.404 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 99 A}'P' sea -12.598 1.424 -6.665 {"}'P' green -12.34 1.463 -6.664 {"}'P' green -12.08 1.463 -6.664 {"}'P' sea -11.822 1.424 -6.665 {"}'P' sea -12.349 1.451 -6.402 {"}'P' sea -12.088 1.452 -6.402 { CZ PHE 99 A}'P' green -12.413 1.941 -7.965 {"}'P' green -12.153 1.941 -7.965 {"}'P' green -11.895 1.902 -7.966 {"}'P' green -11.653 1.817 -7.708 {"}'P' green -12.981 1.735 -7.453 {"}'P' green -11.551 1.623 -7.208 {"}'P' green -12.727 1.607 -6.973 {"}'P' green -11.718 1.564 -6.974 {"}'P' green -12.486 1.501 -6.761 {"}'P' green -12.226 1.515 -6.76 {"}'P' green -11.968 1.48 -6.762 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 99 A}'P' P -12.679 1.889 -7.705 {"}'P' -12.677 1.88 -7.706 {"}'P' P -12.422 1.929 -7.703 {"}'P' -12.417 1.865 -7.711 {"}'P' P -12.161 1.93 -7.703 {"}'P' -12.166 1.854 -7.712 {"}'P' P -11.903 1.893 -7.705 {"}'P' -11.912 1.852 -7.71 {"}'P' P -12.735 1.824 -7.449 {"}'P' -12.725 1.787 -7.46 {"}'P' P -12.479 1.873 -7.447 {"}'P' -12.466 1.767 -7.476 {"}'P' P -12.218 1.883 -7.447 {"}'P' -12.223 1.753 -7.483 {"}'P' P -11.958 1.853 -7.448 {"}'P' -11.978 1.753 -7.476 {"}'P' P -11.706 1.784 -7.451 {"}'P' -11.717 1.755 -7.459 {"}'P' P -12.794 1.714 -7.204 {"}'P' -12.789 1.7 -7.211 {"}'P' P -12.546 1.775 -7.201 {"}'P' -12.531 1.686 -7.241 {"}'P' P -12.291 1.797 -7.2 {"}'P' -12.291 1.67 -7.256 {"}'P' P -12.036 1.778 -7.201 {"}'P' -12.054 1.666 -7.251 {"}'P' P -11.787 1.719 -7.204 {"}'P' -11.804 1.668 -7.228 {"}'P' P -12.476 1.661 -6.97 {"}'P' -12.468 1.606 -7.005 {"}'P' P -12.219 1.672 -6.97 {"}'P' -12.222 1.597 -7.018 {"}'P' P -11.964 1.639 -6.971 {"}'P' -11.974 1.59 -7.003 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 160 A}'P' sky -12.325 1.725 -6.311 {"}'P' blue -12.575 1.796 -6.308 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 160 A}'P' green -12.076 1.985 -7.945 {"}'P' green -12.33 1.985 -7.945 {"}'P' green -11.604 1.818 -7.545 {"}'P' green -12.908 1.778 -7.299 {"}'P' green -11.655 1.63 -7.045 {"}'P' green -12.86 1.696 -7.042 {"}'P' green -11.941 1.542 -6.788 {"}'P' green -12.449 1.539 -6.788 {"}'P' sea -11.829 1.656 -6.536 {"}'P' green -12.076 1.595 -6.538 {"}'P' green -12.33 1.595 -6.538 {"}'P' sea -12.577 1.656 -6.536 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 160 A}'P' P -11.815 1.867 -7.765 {"}'P' -11.817 1.87 -7.762 {"}'P' P -12.065 1.791 -7.768 {"}'P' -12.073 1.842 -7.724 {"}'P' P -12.325 1.789 -7.768 {"}'P' -12.317 1.846 -7.719 {"}'P' P -12.575 1.86 -7.765 {"}'P' -12.567 1.879 -7.747 {"}'P' P -11.829 1.7 -7.55 {"}'P' -11.851 1.758 -7.518 {"}'P' P -12.076 1.64 -7.553 {"}'P' -12.089 1.749 -7.494 {"}'P' P -12.33 1.64 -7.553 {"}'P' -12.316 1.755 -7.491 {"}'P' P -12.577 1.7 -7.55 {"}'P' -12.549 1.773 -7.509 {"}'P' P -12.802 1.818 -7.545 {"}'P' -12.8 1.822 -7.543 {"}'P' P -11.701 1.651 -7.305 {"}'P' -11.716 1.682 -7.296 {"}'P' P -11.941 1.565 -7.309 {"}'P' -11.966 1.667 -7.28 {"}'P' P -12.195 1.535 -7.31 {"}'P' -12.196 1.67 -7.273 {"}'P' P -12.449 1.562 -7.309 {"}'P' -12.423 1.679 -7.276 {"}'P' P -12.691 1.644 -7.305 {"}'P' -12.664 1.7 -7.288 {"}'P' P -11.89 1.537 -7.049 {"}'P' -11.905 1.59 -7.047 {"}'P' P -12.14 1.496 -7.051 {"}'P' -12.145 1.589 -7.047 {"}'P' P -12.392 1.51 -7.05 {"}'P' -12.378 1.597 -7.047 {"}'P' P -12.636 1.577 -7.047 {"}'P' -12.62 1.616 -7.046 {"}'P' P -12.195 1.512 -6.79 {"}'P' -12.195 1.522 -6.791 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 99 A}'M' greentint -9.206 2.479 -7.408 {"}'M' greentint -9.091 2.711 -7.397 {"}'M' greentint -9.4 2.222 -7.199 {"}'M' greentint -9.349 2.47 -7.188 {"}'M' greentint -9.249 2.703 -7.178 {"}'M' greentint -9.104 2.911 -7.169 {"}'M' greentint -8.92 3.085 -7.161 {"}'M' greentint -9.494 2.204 -6.959 {"}'M' greentint -9.447 2.456 -6.948 {"}'M' greentint -9.354 2.694 -6.937 {"}'M' greentint -9.216 2.91 -6.928 {"}'M' greentint -9.041 3.096 -6.92 {"}'M' greentint -9.547 2.074 -6.71 {"}'M' greentint -9.523 2.33 -6.699 {"}'M' greentint -9.453 2.577 -6.688 {"}'M' greentint -9.338 2.807 -6.678 {"}'M' greentint -9.183 3.012 -6.669 {"}'M' greentint -8.993 3.185 -6.662 {"}'M' greentint -9.525 2.31 -6.441 {"}'M' greentint -9.456 2.558 -6.43 {"}'M' greentint -9.343 2.789 -6.42 {"}'M' greentint -9.189 2.995 -6.411 {"}'M' greentint -9 3.169 -6.404 {"}'M' greentint -9.445 2.43 -6.182 {"}'M' greentint -9.35 2.668 -6.171 {"}'M' greentint -9.211 2.883 -6.162 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 160 A}'M' greentint -8.991 2.723 -7.437 {"}'M' greentint -9.101 2.489 -7.448 {"}'M' greentint -8.888 2.71 -7.196 {"}'M' greentint -8.984 2.477 -7.207 {"}'M' greentint -9.138 2.277 -7.215 {"}'M' greentint -9.338 2.124 -7.222 {"}'M' greentint -8.855 2.959 -7.186 {"}'M' greentint -8.85 2.707 -6.938 {"}'M' greentint -8.941 2.474 -6.948 {"}'M' greentint -9.087 2.27 -6.957 {"}'M' greentint -9.278 2.109 -6.964 {"}'M' greentint -8.854 3.204 -6.916 {"}'M' greentint -8.821 2.956 -6.927 {"}'M' greentint -8.888 2.687 -6.679 {"}'M' greentint -8.984 2.454 -6.689 {"}'M' greentint -9.138 2.254 -6.698 {"}'M' greentint -9.338 2.101 -6.705 {"}'M' greentint -8.888 3.186 -6.658 {"}'M' greentint -8.855 2.937 -6.668 {"}'M' greentint -8.991 2.679 -6.438 {"}'M' greentint -9.101 2.446 -6.448 {"}'M' greentint -9.275 2.255 -6.457 {"}'M' greentint -9.497 2.124 -6.463 {"}'M' greentint -8.955 2.934 -6.427 {"}'M' greentint -9.162 2.662 -6.232 {"}'M' greentint -9.298 2.441 -6.241 {"}'M' greentint -9.114 2.917 -6.221 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 99 A}'M' greentint -9.879 1.496 -5.1 {"}'M' greentint -9.735 1.71 -5.091 {"}'M' greentint -9.535 1.873 -5.084 {"}'M' greentint -10.028 1.367 -4.865 {"}'M' greentint -9.932 1.6 -4.855 {"}'M' greentint -9.778 1.8 -4.846 {"}'M' greentint -9.578 1.953 -4.839 {"}'M' greentint -9.345 2.049 -4.835 {"}'M' greentint -10.088 1.223 -4.612 {"}'M' greentint -10.028 1.466 -4.601 {"}'M' greentint -9.909 1.687 -4.592 {"}'M' greentint -9.739 1.871 -4.584 {"}'M' greentint -9.528 2.007 -4.578 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1.477 -7.765 {"}'P' -12.047 1.414 -7.763 {"}'P' P -11.791 1.477 -7.765 {"}'P' -11.794 1.43 -7.763 {"}'P' P -12.317 1.425 -7.505 {"}'P' -12.304 1.368 -7.512 {"}'P' P -12.06 1.465 -7.503 {"}'P' -12.052 1.37 -7.515 {"}'P' P -11.799 1.466 -7.503 {"}'P' -11.805 1.386 -7.513 {"}'P' P -11.541 1.429 -7.505 {"}'P' -11.545 1.411 -7.507 {"}'P' P -12.373 1.36 -7.249 {"}'P' -12.367 1.337 -7.256 {"}'P' P -12.117 1.409 -7.247 {"}'P' -12.109 1.34 -7.266 {"}'P' P -11.856 1.419 -7.247 {"}'P' -11.858 1.352 -7.265 {"}'P' P -11.596 1.389 -7.248 {"}'P' -11.599 1.373 -7.252 {"}'P' P -11.929 1.333 -7 {"}'P' -11.929 1.324 -7.004 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 89 A}'P' blue -12.725 1.51 -8.371 {"}'P' sky -12.485 1.417 -8.375 {"}'P' sky -12.986 1.547 -8.11 {"}'P' sky -13.042 1.492 -7.859 {"}'P' blue -13.178 1.388 -7.622 {"}'P' sky -12.912 1.227 -7.409 { HH TYR 89 A}'P' blue -13.198 1.35 -7.556 {"}'P' blue -13.244 1.326 -7.298 {"}'P' blue -13.044 1.173 -7.305 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 89 A}'P' sea -12.732 1.501 -8.112 {"}'P' sea -12.492 1.41 -8.116 {"}'P' sea -12.789 1.456 -7.86 {"}'P' green -12.547 1.372 -7.864 {"}'P' sea -12.924 1.377 -7.622 {"}'P' green -12.678 1.315 -7.625 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 102 A}'P' sky -12.639 1.764 -8.094 {"}'P' sky -12.835 1.752 -7.873 {"}'P' sky -12.933 1.722 -7.626 {"}'P' sky -12.895 1.624 -7.37 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 102 A}'P' green -11.908 1.556 -8.103 {"}'P' green -12.168 1.554 -8.103 {"}'P' sea -12.418 1.625 -8.1 {"}'P' sea -11.447 1.583 -7.88 {"}'P' green -11.672 1.465 -7.885 {"}'P' green -12.42 1.465 -7.885 {"}'P' green -12.645 1.583 -7.88 {"}'P' sea -11.328 1.553 -7.634 {"}'P' green -12.534 1.409 -7.64 {"}'P' sea -12.751 1.543 -7.634 {"}'P' sea -12.703 1.461 -7.377 {"}'P' green -11.544 1.393 -7.12 {"}'P' green -12.534 1.386 -7.12 {"}'P' green -11.919 1.36 -6.873 {"}'P' green -12.173 1.36 -6.873 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 102 A}'P' P -11.919 1.405 -7.888 {"}'P' -11.923 1.435 -7.872 {"}'P' P -12.173 1.405 -7.888 {"}'P' -12.17 1.427 -7.876 {"}'P' P -11.544 1.416 -7.64 {"}'P' -11.549 1.426 -7.637 {"}'P' P -11.784 1.33 -7.644 {"}'P' -11.801 1.398 -7.624 {"}'P' P -12.038 1.3 -7.645 {"}'P' -12.038 1.385 -7.621 {"}'P' P -12.292 1.327 -7.644 {"}'P' -12.28 1.38 -7.629 {"}'P' P -11.498 1.395 -7.38 {"}'P' -11.499 1.397 -7.38 {"}'P' P -11.733 1.302 -7.384 {"}'P' -11.751 1.368 -7.381 {"}'P' P -11.983 1.261 -7.386 {"}'P' -11.988 1.354 -7.382 {"}'P' P -12.235 1.275 -7.385 {"}'P' -12.224 1.345 -7.382 {"}'P' P -12.479 1.342 -7.382 {"}'P' -12.476 1.349 -7.382 {"}'P' P -11.784 1.307 -7.123 {"}'P' -11.791 1.338 -7.129 {"}'P' P -12.038 1.277 -7.125 {"}'P' -12.038 1.324 -7.133 {"}'P' P -12.292 1.304 -7.123 {"}'P' -12.288 1.32 -7.126 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 89 A}'M' green -8.914 2.186 -7.405 {"}'M' green -8.799 2.418 -7.394 {"}'M' green -8.628 2.792 -7.158 {"}'M' green -9.255 1.781 -6.707 {"}'M' green -8.701 2.892 -6.659 {"}'M' green -9.058 2.375 -6.168 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 89 A}'M' greentint -9.108 1.929 -7.196 {"}'M' greentint -9.057 2.177 -7.185 {"}'M' greentint -8.957 2.41 -7.175 {"}'M' greentint -8.812 2.618 -7.166 {"}'M' greentint -9.202 1.911 -6.956 {"}'M' greentint -9.155 2.163 -6.945 {"}'M' greentint -9.062 2.401 -6.934 {"}'M' greentint -8.924 2.617 -6.925 {"}'M' greentint -8.749 2.803 -6.917 {"}'M' greentint -9.231 2.037 -6.696 {"}'M' greentint -9.161 2.284 -6.685 {"}'M' greentint -9.046 2.514 -6.675 {"}'M' greentint -8.891 2.719 -6.666 {"}'M' greentint -9.233 2.017 -6.438 {"}'M' greentint -9.164 2.265 -6.427 {"}'M' greentint -9.051 2.496 -6.417 {"}'M' greentint -8.897 2.702 -6.408 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 102 A}'M' green -8.729 2.692 -7.222 {"}'M' green -8.762 2.919 -6.694 {"}'M' green -9.172 2.174 -6.277 {"}'M' green -8.988 2.65 -6.257 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 102 A}'M' greentint -8.762 2.443 -7.232 {"}'M' greentint -8.858 2.21 -7.243 {"}'M' greentint -9.012 2.01 -7.251 {"}'M' greentint -8.724 2.44 -6.974 {"}'M' greentint -8.815 2.207 -6.984 {"}'M' greentint -8.961 2.003 -6.993 {"}'M' greentint -9.152 1.842 -7 {"}'M' greentint -8.695 2.689 -6.963 {"}'M' greentint -8.762 2.42 -6.715 {"}'M' greentint -8.858 2.187 -6.725 {"}'M' greentint -9.012 1.987 -6.734 {"}'M' greentint -9.212 1.834 -6.741 {"}'M' greentint -8.729 2.67 -6.704 {"}'M' greentint -8.865 2.412 -6.474 {"}'M' greentint -8.975 2.179 -6.484 {"}'M' greentint -9.149 1.988 -6.493 {"}'M' greentint -8.829 2.667 -6.463 {"}'M' greentint -9.036 2.395 -6.268 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 89 A}'M' sea -9.675 1.312 -5.177 {"}'M' green -9.601 1.559 -5.166 {"}'M' sea -9.457 1.773 -5.157 {"}'M' green -9.783 1.18 -4.942 {"}'M' green -9.5 1.863 -4.912 {"}'M' sea -9.3 2.016 -4.905 {"}'M' green -9.808 1.036 -4.689 {"}'M' sea -9.25 2.07 -4.644 {"}'M' green -9.783 1.158 -4.424 {"}'M' green -9.3 1.993 -4.388 {"}'M' green -9.675 1.268 -4.178 {"}'M' green -9.601 1.515 -4.167 {"}'M' green -9.457 1.73 -4.158 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 89 A}'M' greentint -9.75 1.43 -4.931 {"}'M' greentint -9.654 1.663 -4.921 {"}'M' greentint -9.81 1.286 -4.678 {"}'M' greentint -9.75 1.529 -4.667 {"}'M' greentint -9.631 1.75 -4.658 {"}'M' greentint -9.461 1.934 -4.65 {"}'M' greentint -9.75 1.407 -4.414 {"}'M' greentint -9.654 1.64 -4.403 {"}'M' greentint -9.5 1.84 -4.395 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 102 A}'M' sea -9.59 1.97 -5.146 {"}'M' green -9.666 1.728 -5.157 {"}'M' green -9.789 1.507 -5.167 {"}'M' green -9.494 1.965 -4.906 {"}'M' green -9.838 1.289 -4.935 {"}'M' green -9.448 1.945 -4.652 {"}'M' sea -9.978 1.089 -4.69 {"}'M' sea -9.424 2.201 -4.641 {"}'M' green -9.446 1.942 -4.394 {"}'M' green -9.782 1.257 -4.424 {"}'M' sea -9.971 1.083 -4.431 {"}'M' sea -9.424 2.198 -4.383 {"}'M' sea -9.496 1.924 -4.14 {"}'M' green -9.568 1.678 -4.151 {"}'M' green -9.685 1.451 -4.161 {"}'M' sea -9.843 1.25 -4.17 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 102 A}'M' greentint -9.565 1.719 -4.916 {"}'M' greentint -9.681 1.491 -4.926 {"}'M' greentint -9.518 1.698 -4.663 {"}'M' greentint -9.633 1.467 -4.673 {"}'M' greentint -9.788 1.262 -4.682 {"}'M' greentint -9.515 1.694 -4.405 {"}'M' greentint -9.628 1.463 -4.415 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n gly A 20 1v0aA_22Y_55G}P -11.904 -1.795 1.094 {"}-11.904 -1.795 1.094 { ca gly A 20 1v0aA_22Y_55G}-10.693 -2.04 0.33 { c gly A 20 1v0aA_22Y_55G}-10.517 -0.981 -0.743 { o gly A 20 1v0aA_22Y_55G}-11.472 -0.292 -1.104 { c gly A 20 1v0aA_22Y_55G}P -10.517 -0.981 -0.743 { n ser A 21 1v0aA_22Y_55G}-9.292 -0.847 -1.239 { ca ser A 21 1v0aA_22Y_55G}-8.967 0.148 -2.256 { c ser A 21 1v0aA_22Y_55G}-8.527 -0.525 -3.553 { o ser A 21 1v0aA_22Y_55G}-7.949 -1.617 -3.534 { c ser A 21 1v0aA_22Y_55G}P -8.527 -0.525 -3.553 { n tyr A 22 1v0aA_22Y_55G}-8.811 0.131 -4.675 { ca tyr A 22 1v0aA_22Y_55G}-8.385 -0.353 -5.986 { c tyr A 22 1v0aA_22Y_55G}-8.089 0.805 -6.931 { o tyr A 22 1v0aA_22Y_55G}-8.719 1.864 -6.85 { c tyr A 22 1v0aA_22Y_55G}P -8.089 0.805 -6.931 { n ser A 23 1v0aA_22Y_55G}-7.126 0.593 -7.823 { ca ser A 23 1v0aA_22Y_55G}-6.789 1.577 -8.846 { c ser A 23 1v0aA_22Y_55G}-6.108 0.925 -10.047 { o ser A 23 1v0aA_22Y_55G}-5.705 -0.241 -9.992 { c ser A 23 1v0aA_22Y_55G}P -6.108 0.925 -10.047 { n gly A 24 1v0aA_22Y_55G}-5.998 1.681 -11.134 { ca gly A 24 1v0aA_22Y_55G}-5.327 1.205 -12.327 { c gly A 24 1v0aA_22Y_55G}-5.118 2.298 -13.347 { o gly A 24 1v0aA_22Y_55G}-5.671 3.395 -13.222 { n tyr A 53 1v0aA_22Y_55G}P -8.379 4.782 -13.25 {"}-8.379 4.782 -13.25 { ca tyr A 53 1v0aA_22Y_55G}-9.542 4.571 -12.397 { c tyr A 53 1v0aA_22Y_55G}-9.103 4.34 -10.956 { o tyr A 53 1v0aA_22Y_55G}-8.027 3.794 -10.712 { c tyr A 53 1v0aA_22Y_55G}P -9.103 4.34 -10.956 { n trp A 54 1v0aA_22Y_55G}-9.936 4.768 -10.014 { ca trp A 54 1v0aA_22Y_55G}-9.706 4.503 -8.594 { c trp A 54 1v0aA_22Y_55G}-11.037 4.336 -7.871 { o trp A 54 1v0aA_22Y_55G}-12.073 4.828 -8.329 { c trp A 54 1v0aA_22Y_55G}P -11.037 4.336 -7.871 { n gly A 55 1v0aA_22Y_55G}-11 3.645 -6.738 { ca gly A 55 1v0aA_22Y_55G}-12.178 3.494 -5.91 { c gly A 55 1v0aA_22Y_55G}-11.89 2.838 -4.579 { o gly A 55 1v0aA_22Y_55G}-10.848 2.205 -4.392 { c gly A 55 1v0aA_22Y_55G}P -11.89 2.838 -4.579 { n thr A 56 1v0aA_22Y_55G}-12.818 3.014 -3.646 { ca thr A 56 1v0aA_22Y_55G}-12.81 2.261 -2.4 { c thr A 56 1v0aA_22Y_55G}-14.13 1.5 -2.291 { o thr A 56 1v0aA_22Y_55G}-15.195 2.045 -2.603 { c thr A 56 1v0aA_22Y_55G}P -14.13 1.5 -2.291 { n val A 57 1v0aA_22Y_55G}-14.049 0.239 -1.875 { ca val A 57 1v0aA_22Y_55G}-15.178 -0.683 -1.981 { c val A 57 1v0aA_22Y_55G}-15.488 -1.434 -0.685 { o val A 57 1v0aA_22Y_55G}-14.584 -1.885 0.019 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n gly A 20 1v0aA_22Y_55G}P -11.904 -1.795 1.094 { ca gly A 20 1v0aA_22Y_55G}P -10.693 -2.04 0.33 {"}P -10.693 -2.04 0.33 { n ser A 21 1v0aA_22Y_55G}P -9.292 -0.847 -1.239 { ca ser A 21 1v0aA_22Y_55G}P -8.967 0.148 -2.256 { n tyr A 22 1v0aA_22Y_55G}P -8.811 0.131 -4.675 { ca tyr A 22 1v0aA_22Y_55G}P -8.385 -0.353 -5.986 { n ser A 23 1v0aA_22Y_55G}P -7.126 0.593 -7.823 { ca ser A 23 1v0aA_22Y_55G}P -6.789 1.577 -8.846 { n gly A 24 1v0aA_22Y_55G}P -5.998 1.681 -11.134 { ca gly A 24 1v0aA_22Y_55G}P -5.327 1.205 -12.327 {"}P -5.327 1.205 -12.327 { n tyr A 53 1v0aA_22Y_55G}P -8.379 4.782 -13.25 { ca tyr A 53 1v0aA_22Y_55G}P -9.542 4.571 -12.397 { n trp A 54 1v0aA_22Y_55G}P -9.936 4.768 -10.014 { ca trp A 54 1v0aA_22Y_55G}P -9.706 4.503 -8.594 { n gly A 55 1v0aA_22Y_55G}P -11 3.645 -6.738 { ca gly A 55 1v0aA_22Y_55G}P -12.178 3.494 -5.91 {"}P -12.178 3.494 -5.91 { n thr A 56 1v0aA_22Y_55G}P -12.818 3.014 -3.646 { ca thr A 56 1v0aA_22Y_55G}P -12.81 2.261 -2.4 { n val A 57 1v0aA_22Y_55G}P -14.049 0.239 -1.875 { ca val A 57 1v0aA_22Y_55G}P -15.178 -0.683 -1.981 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca gly A 20 1v0aA_22Y_55G}P -10.693 -2.04 0.33 {"}-10.693 -2.04 0.33 { ca ser A 21 1v0aA_22Y_55G}-8.967 0.148 -2.256 { ca tyr A 22 1v0aA_22Y_55G}-8.385 -0.353 -5.986 { ca ser A 23 1v0aA_22Y_55G}-6.789 1.577 -8.846 { ca gly A 24 1v0aA_22Y_55G}-5.327 1.205 -12.327 { ca tyr A 53 1v0aA_22Y_55G}P -9.542 4.571 -12.397 {"}-9.542 4.571 -12.397 { ca trp A 54 1v0aA_22Y_55G}-9.706 4.503 -8.594 { ca gly A 55 1v0aA_22Y_55G}-12.178 3.494 -5.91 { ca thr A 56 1v0aA_22Y_55G}-12.81 2.261 -2.4 { ca val A 57 1v0aA_22Y_55G}-15.178 -0.683 -1.981 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ser A 21 1v0aA_22Y_55G}P -8.967 0.148 -2.256 { ca tyr A 22 1v0aA_22Y_55G}P -8.385 -0.353 -5.986 { cb tyr A 22 1v0aA_22Y_55G}-9.432 -1.292 -6.599 { cg tyr A 22 1v0aA_22Y_55G}-10.774 -0.646 -6.88 { cd1 tyr A 22 1v0aA_22Y_55G}-11.8 -0.688 -5.937 { ce1 tyr A 22 1v0aA_22Y_55G}-13.035 -0.093 -6.192 { cz tyr A 22 1v0aA_22Y_55G}-13.247 0.545 -7.404 { oh tyr A 22 1v0aA_22Y_55G}-14.458 1.14 -7.668 { cg tyr A 22 1v0aA_22Y_55G}P -10.774 -0.646 -6.88 { cd2 tyr A 22 1v0aA_22Y_55G}-11.018 0.001 -8.092 { ce2 tyr A 22 1v0aA_22Y_55G}-12.244 0.599 -8.355 { cz tyr A 22 1v0aA_22Y_55G}ghost -13.247 0.545 -7.404 { ca ser A 23 1v0aA_22Y_55G}P -6.789 1.577 -8.846 { ca tyr A 53 1v0aA_22Y_55G}P -9.542 4.571 -12.397 { ca trp A 54 1v0aA_22Y_55G}P -9.706 4.503 -8.594 { ca thr A 56 1v0aA_22Y_55G}P -12.81 2.261 -2.4 { ca val A 57 1v0aA_22Y_55G}P -15.178 -0.683 -1.981 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 22 1v0aA_22Y_55G}P -9.432 -1.292 -6.599 {"}P -9.432 -1.292 -6.599 { cd1 tyr A 22 1v0aA_22Y_55G}P -11.8 -0.688 -5.937 { cd2 tyr A 22 1v0aA_22Y_55G}P -11.018 0.001 -8.092 { ce1 tyr A 22 1v0aA_22Y_55G}P -13.035 -0.093 -6.192 { ce2 tyr A 22 1v0aA_22Y_55G}P -12.244 0.599 -8.355 { oh tyr A 22 1v0aA_22Y_55G}P -14.458 1.14 -7.668 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 22 1v0aA_22Y_55G}P -8.385 -0.353 -5.986 { cb tyr A 22 1v0aA_22Y_55G}-9.432 -1.292 -6.599 { cg tyr A 22 1v0aA_22Y_55G}-10.774 -0.646 -6.88 { cd1 tyr A 22 1v0aA_22Y_55G}-11.8 -0.688 -5.937 { ce1 tyr A 22 1v0aA_22Y_55G}-13.035 -0.093 -6.192 { cz tyr A 22 1v0aA_22Y_55G}-13.247 0.545 -7.404 { oh tyr A 22 1v0aA_22Y_55G}-14.458 1.14 -7.668 { cg tyr A 22 1v0aA_22Y_55G}P -10.774 -0.646 -6.88 { cd2 tyr A 22 1v0aA_22Y_55G}-11.018 0.001 -8.092 { ce2 tyr A 22 1v0aA_22Y_55G}-12.244 0.599 -8.355 { cz tyr A 22 1v0aA_22Y_55G}ghost -13.247 0.545 -7.404 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 22 1v0aA_22Y_55G}P -9.432 -1.292 -6.599 {"}P -9.432 -1.292 -6.599 { cd1 tyr A 22 1v0aA_22Y_55G}P -11.8 -0.688 -5.937 { cd2 tyr A 22 1v0aA_22Y_55G}P -11.018 0.001 -8.092 { ce1 tyr A 22 1v0aA_22Y_55G}P -13.035 -0.093 -6.192 { ce2 tyr A 22 1v0aA_22Y_55G}P -12.244 0.599 -8.355 { oh tyr A 22 1v0aA_22Y_55G}P -14.458 1.14 -7.668 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 22 A}'P' sky -13.431 1.599 -5.987 {"}'P' blue -13.231 1.583 -5.729 { CE2 TYR 22 A}'P' sky -12.507 2.177 -7.646 {"}'P' blue -12.252 2.199 -7.645 {"}'P' sky -12.18 2.074 -7.415 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 22 A}'P' sea -13.174 1.639 -5.985 {"}'P' sea -12.913 1.64 -5.985 { CZ TYR 22 A}'P' green -13.117 2.289 -7.459 {"}'P' green -12.859 2.25 -7.46 {"}'P' green -13.643 2.237 -7.199 {"}'P' green -13.758 2.062 -6.698 {"}'P' green -13.691 1.955 -6.467 {"}'P' green -12.452 1.796 -6.474 {"}'P' green -13.45 1.849 -6.255 {"}'P' green -12.686 1.744 -6.259 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ TYR 22 A}'P' P -13.386 2.277 -7.197 {"}'P' -13.382 2.228 -7.203 {"}'P' P -13.125 2.278 -7.197 {"}'P' -13.131 2.188 -7.208 {"}'P' P -12.867 2.241 -7.199 {"}'P' -12.886 2.156 -7.209 {"}'P' P -12.617 2.165 -7.202 {"}'P' -12.632 2.128 -7.207 {"}'P' P -13.699 2.172 -6.943 {"}'P' -13.699 2.17 -6.944 {"}'P' P -13.443 2.221 -6.941 {"}'P' -13.432 2.13 -6.966 {"}'P' P -13.182 2.231 -6.941 {"}'P' -13.187 2.083 -6.981 {"}'P' P -12.922 2.201 -6.942 {"}'P' -12.952 2.049 -6.984 {"}'P' P -12.67 2.132 -6.945 {"}'P' -12.708 2.029 -6.975 {"}'P' P -12.432 2.025 -6.95 {"}'P' -12.444 2.003 -6.957 {"}'P' P -13.51 2.123 -6.695 {"}'P' -13.497 2.046 -6.73 {"}'P' P -13.255 2.145 -6.694 {"}'P' -13.254 2 -6.758 {"}'P' P -13 2.126 -6.695 {"}'P' -13.026 1.963 -6.768 {"}'P' P -12.751 2.067 -6.698 {"}'P' -12.792 1.941 -6.756 {"}'P' P -12.515 1.971 -6.702 {"}'P' -12.542 1.918 -6.728 {"}'P' P -13.44 2.009 -6.464 {"}'P' -13.432 1.948 -6.503 {"}'P' P -13.183 2.02 -6.464 {"}'P' -13.187 1.911 -6.533 {"}'P' P -12.928 1.987 -6.465 {"}'P' -12.952 1.879 -6.535 {"}'P' P -12.682 1.912 -6.468 {"}'P' -12.707 1.85 -6.51 {"}'P' P -13.19 1.863 -6.254 {"}'P' -13.192 1.831 -6.283 {"}'P' P -12.932 1.828 -6.256 {"}'P' -12.94 1.797 -6.284 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 22 A}'P' sky -13.844 2.385 -7.484 {"}'P' sky -14.141 2.431 -7.228 {"}'P' blue -14.264 2.202 -6.777 {"}'P' sky -14.031 1.935 -6.598 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 22 A}'P' sea -13.899 2.347 -7.232 {"}'P' sea -14.03 2.29 -6.993 {"}'P' green -13.802 2.18 -6.998 {"}'P' sea -14.015 2.128 -6.78 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 55 A}'P' blue -12.664 2.506 -7.525 {"}'P' blue -12.366 2.466 -7.387 {"}'P' sky -13.8 2.661 -7.193 {"}'P' blue -13.949 2.665 -6.971 {"}'P' sky -13.949 2.405 -6.735 {"}'P' sky -13.928 2.292 -6.479 {"}'P' sky -13.047 1.957 -5.764 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 55 A}'P' green -13.29 2.304 -7.394 {"}'P' sea -13.69 2.426 -7.204 {"}'P' sea -13.858 2.428 -6.982 {"}'P' green -13.413 1.853 -6.238 {"}'P' sea -12.798 1.827 -5.991 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 55 A}'P' P -12.798 2.217 -7.398 {"}'P' -12.799 2.223 -7.391 {"}'P' P -13.052 2.217 -7.398 {"}'P' -13.048 2.236 -7.371 {"}'P' P -12.537 2.099 -7.218 {"}'P' -12.543 2.11 -7.208 {"}'P' P -12.787 2.023 -7.221 {"}'P' -12.798 2.095 -7.159 {"}'P' P -13.047 2.021 -7.221 {"}'P' -13.034 2.114 -7.139 {"}'P' P -13.297 2.092 -7.218 {"}'P' -13.267 2.158 -7.156 {"}'P' P -13.518 2.231 -7.212 {"}'P' -13.51 2.24 -7.202 {"}'P' P -12.551 1.932 -7.003 {"}'P' -12.575 1.993 -6.969 {"}'P' P -12.798 1.872 -7.006 {"}'P' -12.814 2 -6.936 {"}'P' P -13.052 1.872 -7.006 {"}'P' -13.033 2.025 -6.923 {"}'P' P -13.299 1.932 -7.003 {"}'P' -13.25 2.058 -6.931 {"}'P' P -13.524 2.05 -6.998 {"}'P' -13.481 2.11 -6.959 {"}'P' P -12.423 1.883 -6.758 {"}'P' -12.434 1.905 -6.751 {"}'P' P -12.663 1.797 -6.762 {"}'P' -12.689 1.903 -6.732 {"}'P' P -12.917 1.767 -6.763 {"}'P' -12.918 1.927 -6.719 {"}'P' P -13.171 1.794 -6.762 {"}'P' -13.135 1.955 -6.716 {"}'P' P -13.413 1.876 -6.758 {"}'P' -13.358 1.99 -6.724 {"}'P' P -13.63 2.01 -6.752 {"}'P' -13.599 2.049 -6.739 {"}'P' P -12.612 1.769 -6.502 {"}'P' -12.626 1.818 -6.5 {"}'P' P -12.862 1.728 -6.504 {"}'P' -12.867 1.835 -6.499 {"}'P' P -13.114 1.742 -6.503 {"}'P' -13.094 1.863 -6.498 {"}'P' P -13.358 1.809 -6.5 {"}'P' -13.322 1.898 -6.497 {"}'P' P -13.582 1.928 -6.495 {"}'P' -13.564 1.953 -6.494 {"}'P' P -12.917 1.744 -6.243 {"}'P' -12.917 1.768 -6.247 {"}'P' P -13.171 1.771 -6.241 {"}'P' -13.165 1.799 -6.247 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 22 A}'M' green -9.782 2.706 -7.197 {"}'M' green -9.607 2.892 -7.189 {"}'M' green -10.019 2.373 -6.957 {"}'M' green -9.34 3.116 -6.925 {"}'M' green -9.159 3.119 -6.412 {"}'M' green -9.917 2.204 -6.211 {"}'M' green -9.652 2.441 -5.98 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 22 A}'M' greentint -9.904 2.603 -6.947 {"}'M' greentint -9.749 2.808 -6.938 {"}'M' greentint -9.559 2.981 -6.931 {"}'M' greentint -10.022 2.354 -6.699 {"}'M' greentint -9.909 2.585 -6.689 {"}'M' greentint -9.755 2.791 -6.68 {"}'M' greentint -9.566 2.965 -6.673 {"}'M' greentint -9.348 3.101 -6.667 {"}'M' greentint -10.011 2.226 -6.451 {"}'M' greentint -9.916 2.464 -6.44 {"}'M' greentint -9.777 2.679 -6.431 {"}'M' greentint -9.601 2.864 -6.423 {"}'M' greentint -9.392 3.012 -6.416 {"}'M' greentint -9.819 2.437 -6.2 {"}'M' greentint -9.675 2.646 -6.191 {"}'M' greentint -9.492 2.822 -6.184 {"}'M' greentint -9.278 2.957 -6.178 {"}'M' greentint -9.486 2.639 -5.972 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 55 A}'M' greentint -9.523 2.968 -7.102 {"}'M' greentint -9.659 2.747 -7.111 {"}'M' greentint -9.867 2.59 -7.118 {"}'M' greentint -9.352 2.967 -6.894 {"}'M' greentint -9.462 2.733 -6.905 {"}'M' greentint -9.636 2.543 -6.913 {"}'M' greentint -9.858 2.411 -6.919 {"}'M' greentint -9.249 2.954 -6.653 {"}'M' greentint -9.345 2.721 -6.664 {"}'M' greentint -9.499 2.521 -6.672 {"}'M' greentint -9.699 2.368 -6.679 {"}'M' greentint -9.932 2.271 -6.683 {"}'M' greentint -9.211 2.951 -6.395 {"}'M' greentint -9.302 2.718 -6.405 {"}'M' greentint -9.448 2.514 -6.414 {"}'M' greentint -9.639 2.353 -6.421 {"}'M' greentint -9.865 2.244 -6.425 {"}'M' greentint -9.249 2.931 -6.136 {"}'M' greentint -9.345 2.698 -6.146 {"}'M' greentint -9.499 2.498 -6.155 {"}'M' greentint -9.699 2.345 -6.162 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 22 A}'M' greentint -10.111 1.376 -5.186 {"}'M' greentint -9.967 1.59 -5.177 {"}'M' greentint -10.26 1.247 -4.951 {"}'M' greentint -10.164 1.48 -4.941 {"}'M' greentint -10.01 1.68 -4.932 {"}'M' greentint -9.81 1.833 -4.925 {"}'M' greentint -10.32 1.103 -4.698 {"}'M' greentint -10.26 1.346 -4.687 {"}'M' greentint -10.141 1.567 -4.678 {"}'M' greentint -9.971 1.751 -4.67 {"}'M' greentint -9.76 1.887 -4.664 {"}'M' greentint -9.522 1.966 -4.66 {"}'M' greentint -10.293 0.975 -4.444 {"}'M' greentint -10.26 1.224 -4.434 {"}'M' greentint -10.164 1.457 -4.423 {"}'M' greentint -10.01 1.657 -4.415 {"}'M' greentint -9.81 1.81 -4.408 {"}'M' greentint -9.577 1.907 -4.404 {"}'M' greentint -10.185 1.085 -4.198 {"}'M' greentint -10.111 1.332 -4.187 {"}'M' greentint -9.967 1.547 -4.178 {"}'M' greentint -9.767 1.709 -4.171 {"}'M' greentint -9.528 1.806 -4.167 {"}'M' greentint -9.928 1.327 -3.98 {"}'M' greentint -9.753 1.519 -3.972 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 55 A}'M' green -9.524 1.975 -4.786 {"}'M' green -9.598 1.688 -4.031 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 55 A}'M' greentint -9.696 1.738 -5.037 {"}'M' greentint -9.819 1.517 -5.047 {"}'M' greentint -9.985 1.325 -5.055 {"}'M' greentint -10.185 1.17 -5.062 {"}'M' greentint -9.595 1.729 -4.796 {"}'M' greentint -9.711 1.501 -4.806 {"}'M' greentint -9.868 1.299 -4.815 {"}'M' greentint -10.06 1.131 -4.822 {"}'M' greentint -10.281 1.001 -4.828 {"}'M' greentint -9.478 1.955 -4.532 {"}'M' greentint -9.548 1.708 -4.543 {"}'M' greentint -9.663 1.477 -4.553 {"}'M' greentint -9.818 1.272 -4.562 {"}'M' greentint -10.008 1.099 -4.57 {"}'M' greentint -10.227 0.964 -4.575 {"}'M' greentint -9.545 1.704 -4.285 {"}'M' greentint -9.658 1.473 -4.295 {"}'M' greentint -9.812 1.267 -4.304 {"}'M' greentint -10.001 1.093 -4.311 {"}'M' greentint -10.219 0.956 -4.317 {"}'M' greentint -9.715 1.461 -4.041 {"}'M' greentint -9.873 1.26 -4.05 {"}'M' greentint -10.067 1.092 -4.057 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n leu A 183 1vgyA_256F_185}P -7.206 5.766 -12.172 {"}-7.206 5.766 -12.172 { ca leu A 183 1vgyA_256F_185}-8.596 5.733 -11.696 { c leu A 183 1vgyA_256F_185}-8.632 4.874 -10.436 { o leu A 183 1vgyA_256F_185}-8.127 3.74 -10.441 { c leu A 183 1vgyA_256F_185}P -8.632 4.874 -10.436 { n ser A 184 1vgyA_256F_185}-9.054 5.468 -9.335 { ca ser A 184 1vgyA_256F_185}-9.044 4.811 -8.053 { c ser A 184 1vgyA_256F_185}-10.437 4.574 -7.487 { o ser A 184 1vgyA_256F_185}-11.335 5.424 -7.624 { c ser A 184 1vgyA_256F_185}P -10.437 4.574 -7.487 { n gly A 185 1vgyA_256F_185}-10.581 3.498 -6.734 { ca gly A 185 1vgyA_256F_185}-11.871 3.182 -6.141 { c gly A 185 1vgyA_256F_185}-11.703 2.877 -4.668 { o gly A 185 1vgyA_256F_185}-10.699 2.324 -4.251 { c gly A 185 1vgyA_256F_185}P -11.703 2.877 -4.668 { n asn A 186 1vgyA_256F_185}-12.652 3.355 -3.883 { ca asn A 186 1vgyA_256F_185}-12.716 3.138 -2.43 { c asn A 186 1vgyA_256F_185}-14.037 2.405 -2.215 { o asn A 186 1vgyA_256F_185}-15.13 2.985 -2.248 { c asn A 186 1vgyA_256F_185}P -14.037 2.405 -2.215 { n leu A 187 1vgyA_256F_185}-13.948 1.09 -2.069 { ca leu A 187 1vgyA_256F_185}-15.062 0.188 -1.97 { c leu A 187 1vgyA_256F_185}-15.414 -0.217 -0.545 { o leu A 187 1vgyA_256F_185}-14.502 -0.616 0.183 { n val A 254 1vgyA_256F_185}P -12.039 -1.758 0.766 {"}-12.039 -1.758 0.766 { ca val A 254 1vgyA_256F_185}-11.027 -2.133 -0.235 { c val A 254 1vgyA_256F_185}-10.632 -0.915 -1.076 { o val A 254 1vgyA_256F_185}-11.536 -0.244 -1.613 { c val A 254 1vgyA_256F_185}P -10.632 -0.915 -1.076 { n lys A 255 1vgyA_256F_185}-9.344 -0.627 -1.178 { ca lys A 255 1vgyA_256F_185}-8.926 0.489 -2.029 { c lys A 255 1vgyA_256F_185}-8.184 -0.131 -3.233 { o lys A 255 1vgyA_256F_185}-7.323 -0.998 -2.969 { c lys A 255 1vgyA_256F_185}P -8.184 -0.131 -3.233 { n phe A 256 1vgyA_256F_185}-8.581 0.266 -4.426 { ca phe A 256 1vgyA_256F_185}-7.897 -0.265 -5.612 { c phe A 256 1vgyA_256F_185}-7.624 0.836 -6.615 { o phe A 256 1vgyA_256F_185}-8.231 1.935 -6.565 { c phe A 256 1vgyA_256F_185}P -7.624 0.836 -6.615 { n asn A 257 1vgyA_256F_185}-6.8 0.494 -7.605 { ca asn A 257 1vgyA_256F_185}-6.432 1.489 -8.626 { c asn A 257 1vgyA_256F_185}-6.162 0.853 -9.968 { o asn A 257 1vgyA_256F_185}-5.683 -0.296 -10.097 { c asn A 257 1vgyA_256F_185}P -6.162 0.853 -9.968 { n phe A 258 1vgyA_256F_185}-6.467 1.611 -10.993 { ca phe A 258 1vgyA_256F_185}-6.186 1.268 -12.354 { c phe A 258 1vgyA_256F_185}-5.169 2.27 -12.948 { o phe A 258 1vgyA_256F_185}-5.402 3.487 -12.807 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n leu A 183 1vgyA_256F_185}P -7.206 5.766 -12.172 { ca leu A 183 1vgyA_256F_185}P -8.596 5.733 -11.696 { n ser A 184 1vgyA_256F_185}P -9.054 5.468 -9.335 { ca ser A 184 1vgyA_256F_185}P -9.044 4.811 -8.053 { n gly A 185 1vgyA_256F_185}P -10.581 3.498 -6.734 { ca gly A 185 1vgyA_256F_185}P -11.871 3.182 -6.141 {"}P -11.871 3.182 -6.141 { n asn A 186 1vgyA_256F_185}P -12.652 3.355 -3.883 { ca asn A 186 1vgyA_256F_185}P -12.716 3.138 -2.43 { n leu A 187 1vgyA_256F_185}P -13.948 1.09 -2.069 { ca leu A 187 1vgyA_256F_185}P -15.062 0.188 -1.97 { n val A 254 1vgyA_256F_185}P -12.039 -1.758 0.766 { ca val A 254 1vgyA_256F_185}P -11.027 -2.133 -0.235 { n lys A 255 1vgyA_256F_185}P -9.344 -0.627 -1.178 { ca lys A 255 1vgyA_256F_185}P -8.926 0.489 -2.029 { n phe A 256 1vgyA_256F_185}P -8.581 0.266 -4.426 { ca phe A 256 1vgyA_256F_185}P -7.897 -0.265 -5.612 { n asn A 257 1vgyA_256F_185}P -6.8 0.494 -7.605 { ca asn A 257 1vgyA_256F_185}P -6.432 1.489 -8.626 { n phe A 258 1vgyA_256F_185}P -6.467 1.611 -10.993 { ca phe A 258 1vgyA_256F_185}P -6.186 1.268 -12.354 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca leu A 183 1vgyA_256F_185}P -8.596 5.733 -11.696 {"}-8.596 5.733 -11.696 { ca ser A 184 1vgyA_256F_185}-9.044 4.811 -8.053 { ca gly A 185 1vgyA_256F_185}-11.871 3.182 -6.141 { ca asn A 186 1vgyA_256F_185}-12.716 3.138 -2.43 { ca leu A 187 1vgyA_256F_185}-15.062 0.188 -1.97 { ca val A 254 1vgyA_256F_185}-11.027 -2.133 -0.235 { ca lys A 255 1vgyA_256F_185}-8.926 0.489 -2.029 { ca phe A 256 1vgyA_256F_185}-7.897 -0.265 -5.612 { ca asn A 257 1vgyA_256F_185}-6.432 1.489 -8.626 { ca phe A 258 1vgyA_256F_185}-6.186 1.268 -12.354 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca leu A 183 1vgyA_256F_185}P -8.596 5.733 -11.696 { ca ser A 184 1vgyA_256F_185}P -9.044 4.811 -8.053 { ca asn A 186 1vgyA_256F_185}P -12.716 3.138 -2.43 { ca leu A 187 1vgyA_256F_185}P -15.062 0.188 -1.97 { ca val A 254 1vgyA_256F_185}P -11.027 -2.133 -0.235 { ca lys A 255 1vgyA_256F_185}P -8.926 0.489 -2.029 { ca phe A 256 1vgyA_256F_185}P -7.897 -0.265 -5.612 { cb phe A 256 1vgyA_256F_185}-8.719 -1.42 -6.211 { cg phe A 256 1vgyA_256F_185}-10.093 -0.981 -6.7 { cd1 phe A 256 1vgyA_256F_185}-10.245 -0.37 -7.92 { ce1 phe A 256 1vgyA_256F_185}-11.469 0.028 -8.407 { cz phe A 256 1vgyA_256F_185}-12.598 -0.139 -7.59 { cg phe A 256 1vgyA_256F_185}P -10.093 -0.981 -6.7 { cd2 phe A 256 1vgyA_256F_185}-11.203 -1.093 -5.877 { ce2 phe A 256 1vgyA_256F_185}-12.455 -0.674 -6.326 { cz phe A 256 1vgyA_256F_185}ghost -12.598 -0.139 -7.59 { ca asn A 257 1vgyA_256F_185}P -6.432 1.489 -8.626 { ca phe A 258 1vgyA_256F_185}P -6.186 1.268 -12.354 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 256 1vgyA_256F_185}P -8.719 -1.42 -6.211 {"}P -8.719 -1.42 -6.211 { cd1 phe A 256 1vgyA_256F_185}P -10.245 -0.37 -7.92 { cd2 phe A 256 1vgyA_256F_185}P -11.203 -1.093 -5.877 { ce1 phe A 256 1vgyA_256F_185}P -11.469 0.028 -8.407 { ce2 phe A 256 1vgyA_256F_185}P -12.455 -0.674 -6.326 { cz phe A 256 1vgyA_256F_185}P -12.598 -0.139 -7.59 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 256 1vgyA_256F_185}P -7.897 -0.265 -5.612 { cb phe A 256 1vgyA_256F_185}-8.719 -1.42 -6.211 { cg phe A 256 1vgyA_256F_185}-10.093 -0.981 -6.7 { cd1 phe A 256 1vgyA_256F_185}-10.245 -0.37 -7.92 { ce1 phe A 256 1vgyA_256F_185}-11.469 0.028 -8.407 { cz phe A 256 1vgyA_256F_185}-12.598 -0.139 -7.59 { cg phe A 256 1vgyA_256F_185}P -10.093 -0.981 -6.7 { cd2 phe A 256 1vgyA_256F_185}-11.203 -1.093 -5.877 { ce2 phe A 256 1vgyA_256F_185}-12.455 -0.674 -6.326 { cz phe A 256 1vgyA_256F_185}ghost -12.598 -0.139 -7.59 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 256 1vgyA_256F_185}P -8.719 -1.42 -6.211 {"}P -8.719 -1.42 -6.211 { cd1 phe A 256 1vgyA_256F_185}P -10.245 -0.37 -7.92 { cd2 phe A 256 1vgyA_256F_185}P -11.203 -1.093 -5.877 { ce1 phe A 256 1vgyA_256F_185}P -11.469 0.028 -8.407 { ce2 phe A 256 1vgyA_256F_185}P -12.455 -0.674 -6.326 { cz phe A 256 1vgyA_256F_185}P -12.598 -0.139 -7.59 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 256 A}'P' sky -12.167 1.566 -7.95 {"}'P' sky -11.921 1.655 -7.946 {"}'P' sky -11.477 1.628 -7.697 {"}'P' sky -11.405 1.503 -7.467 {"}'P' sky -11.412 1.346 -7.257 {"}'P' blue -11.405 1.159 -7.074 { CE2 PHE 256 A}'P' sky -11.817 0.955 -6.386 {"}'P' sky -12.851 1.018 -6.121 {"}'P' sky -12.075 1.022 -6.121 {"}'P' blue -11.825 0.946 -6.124 {"}'P' blue -12.39 1.012 -5.863 {"}'P' blue -12.13 0.982 -5.864 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 256 A}'P' sea -11.98 1.545 -7.701 {"}'P' sea -11.732 1.606 -7.698 {"}'P' sea -11.662 1.492 -7.467 {"}'P' sea -11.672 1.332 -7.258 { CE2 PHE 256 A}'P' sea -12.067 1.031 -6.382 {"}'P' sea -12.594 1.058 -6.119 {"}'P' sea -12.333 1.059 -6.119 { CZ PHE 256 A}'P' green -12.728 1.605 -7.645 {"}'P' green -12.468 1.605 -7.645 {"}'P' green -12.21 1.566 -7.646 {"}'P' green -12.994 1.553 -7.385 {"}'P' green -13.05 1.488 -7.129 {"}'P' green -11.783 1.341 -7.136 {"}'P' green -13.109 1.378 -6.884 {"}'P' green -13.042 1.271 -6.653 {"}'P' green -11.803 1.112 -6.66 {"}'P' green -12.801 1.165 -6.441 {"}'P' green -12.541 1.179 -6.44 {"}'P' green -12.283 1.144 -6.442 {"}'P' green -12.037 1.06 -6.445 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 256 A}'P' P -12.737 1.593 -7.383 {"}'P' -12.734 1.563 -7.387 {"}'P' P -12.476 1.594 -7.383 {"}'P' -12.48 1.53 -7.391 {"}'P' P -12.218 1.557 -7.385 {"}'P' -12.23 1.504 -7.391 {"}'P' P -11.968 1.481 -7.388 {"}'P' -11.969 1.48 -7.388 {"}'P' P -12.794 1.537 -7.127 {"}'P' -12.786 1.47 -7.146 {"}'P' P -12.533 1.547 -7.127 {"}'P' -12.537 1.431 -7.158 {"}'P' P -12.273 1.517 -7.128 {"}'P' -12.295 1.405 -7.159 {"}'P' P -12.021 1.448 -7.131 {"}'P' -12.043 1.388 -7.148 {"}'P' P -12.861 1.439 -6.881 {"}'P' -12.852 1.388 -6.904 {"}'P' P -12.606 1.461 -6.88 {"}'P' -12.606 1.352 -6.928 {"}'P' P -12.351 1.442 -6.881 {"}'P' -12.37 1.323 -6.934 {"}'P' P -12.102 1.383 -6.884 {"}'P' -12.128 1.304 -6.92 {"}'P' P -11.866 1.287 -6.888 {"}'P' -11.87 1.279 -6.892 {"}'P' P -12.791 1.325 -6.65 {"}'P' -12.787 1.295 -6.669 {"}'P' P -12.534 1.336 -6.65 {"}'P' -12.537 1.267 -6.694 {"}'P' P -12.279 1.303 -6.651 {"}'P' -12.293 1.24 -6.692 {"}'P' P -12.033 1.228 -6.654 {"}'P' -12.04 1.211 -6.666 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 185 A}'P' blue -12.059 1.93 -7.727 {"}'P' sky -11.761 1.89 -7.589 {"}'P' sky -11.546 1.864 -7.405 {"}'P' sky -11.531 1.643 -7.193 {"}'P' sky -11.946 1.312 -6.191 {"}'P' sky -12.694 1.312 -6.191 {"}'P' blue -12.182 1.384 -5.966 {"}'P' sky -12.442 1.381 -5.966 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 185 A}'P' sea -11.955 1.728 -7.596 {"}'P' green -12.193 1.641 -7.6 {"}'P' green -12.447 1.641 -7.6 {"}'P' sea -11.715 1.666 -7.414 {"}'P' green -11.932 1.523 -7.42 {"}'P' green -12.913 1.655 -7.414 {"}'P' green -11.818 1.307 -6.96 {"}'P' green -12.977 1.352 -6.697 {"}'P' green -12.058 1.198 -6.443 {"}'P' green -12.312 1.168 -6.445 {"}'P' green -12.566 1.195 -6.443 {"}'P' green -12.808 1.277 -6.44 {"}'P' sea -12.193 1.251 -6.193 {"}'P' sea -12.447 1.251 -6.193 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 185 A}'P' P -12.182 1.447 -7.423 {"}'P' -12.188 1.485 -7.39 {"}'P' P -12.442 1.445 -7.423 {"}'P' -12.434 1.501 -7.374 {"}'P' P -12.692 1.516 -7.42 {"}'P' -12.679 1.545 -7.393 {"}'P' P -11.946 1.356 -7.205 {"}'P' -11.958 1.387 -7.188 {"}'P' P -12.193 1.296 -7.208 {"}'P' -12.204 1.388 -7.158 {"}'P' P -12.447 1.296 -7.208 {"}'P' -12.433 1.408 -7.147 {"}'P' P -12.694 1.356 -7.205 {"}'P' -12.661 1.44 -7.157 {"}'P' P -12.919 1.474 -7.2 {"}'P' -12.904 1.496 -7.186 {"}'P' P -12.058 1.221 -6.964 {"}'P' -12.076 1.295 -6.943 {"}'P' P -12.312 1.191 -6.965 {"}'P' -12.313 1.313 -6.931 {"}'P' P -12.566 1.218 -6.964 {"}'P' -12.539 1.338 -6.93 {"}'P' P -12.808 1.3 -6.96 {"}'P' -12.773 1.372 -6.939 {"}'P' P -13.025 1.434 -6.954 {"}'P' -13.025 1.434 -6.954 {"}'P' P -12.007 1.193 -6.704 {"}'P' -12.013 1.214 -6.703 {"}'P' P -12.257 1.152 -6.706 {"}'P' -12.261 1.226 -6.703 {"}'P' P -12.509 1.166 -6.705 {"}'P' -12.495 1.25 -6.702 {"}'P' P -12.753 1.233 -6.702 {"}'P' -12.733 1.283 -6.7 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 256 A}'M' greentint -9.427 2.337 -7.172 {"}'M' greentint -9.327 2.57 -7.162 {"}'M' greentint -9.182 2.778 -7.153 {"}'M' greentint -9.572 2.071 -6.943 {"}'M' greentint -9.525 2.323 -6.932 {"}'M' greentint -9.432 2.561 -6.921 {"}'M' greentint -9.294 2.777 -6.912 {"}'M' greentint -9.119 2.963 -6.904 {"}'M' greentint -9.625 1.941 -6.694 {"}'M' greentint -9.601 2.197 -6.683 {"}'M' greentint -9.531 2.444 -6.672 {"}'M' greentint -9.416 2.674 -6.662 {"}'M' greentint -9.261 2.879 -6.653 {"}'M' greentint -9.071 3.052 -6.646 {"}'M' greentint -9.625 1.921 -6.436 {"}'M' greentint -9.603 2.177 -6.425 {"}'M' greentint -9.534 2.425 -6.414 {"}'M' greentint -9.421 2.656 -6.404 {"}'M' greentint -9.267 2.862 -6.395 {"}'M' greentint -9.078 3.036 -6.388 {"}'M' greentint -9.571 2.046 -6.177 {"}'M' greentint -9.523 2.297 -6.166 {"}'M' greentint -9.428 2.535 -6.155 {"}'M' greentint -9.289 2.75 -6.146 {"}'M' greentint -9.113 2.935 -6.138 {"}'M' greentint -9.429 2.275 -5.926 {"}'M' greentint -9.331 2.508 -5.915 {"}'M' greentint -9.187 2.717 -5.906 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 185 A}'M' greentint -9.191 2.625 -7.243 {"}'M' greentint -9.327 2.404 -7.252 {"}'M' greentint -9.02 2.624 -7.035 {"}'M' greentint -9.13 2.39 -7.046 {"}'M' greentint -9.304 2.2 -7.054 {"}'M' greentint -9.526 2.068 -7.06 {"}'M' greentint -8.984 2.879 -7.024 {"}'M' greentint -8.917 2.611 -6.794 {"}'M' greentint -9.013 2.378 -6.805 {"}'M' greentint -9.167 2.178 -6.813 {"}'M' greentint -9.367 2.025 -6.82 {"}'M' greentint -9.6 1.928 -6.824 {"}'M' greentint -8.917 3.11 -6.773 {"}'M' greentint -8.884 2.86 -6.784 {"}'M' greentint -8.879 2.608 -6.536 {"}'M' greentint -8.97 2.375 -6.546 {"}'M' greentint -9.116 2.171 -6.555 {"}'M' greentint -9.307 2.01 -6.562 {"}'M' greentint -9.533 1.901 -6.566 {"}'M' greentint -8.883 3.105 -6.514 {"}'M' greentint -8.85 2.857 -6.525 {"}'M' greentint -8.917 2.588 -6.277 {"}'M' greentint -9.013 2.355 -6.287 {"}'M' greentint -9.167 2.155 -6.296 {"}'M' greentint -9.367 2.002 -6.303 {"}'M' greentint -9.6 1.906 -6.307 {"}'M' greentint -8.917 3.087 -6.256 {"}'M' greentint -8.884 2.838 -6.266 {"}'M' greentint -9.02 2.58 -6.036 {"}'M' greentint -9.13 2.347 -6.046 {"}'M' greentint -9.304 2.156 -6.055 {"}'M' greentint -9.526 2.025 -6.061 {"}'M' greentint -8.984 2.835 -6.025 {"}'M' greentint -9.191 2.563 -5.83 {"}'M' greentint -9.327 2.342 -5.839 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 256 A}'M' greentint -9.964 1.515 -5.079 {"}'M' greentint -10.257 1.172 -4.853 {"}'M' greentint -10.161 1.405 -4.843 {"}'M' greentint -10.007 1.605 -4.834 {"}'M' greentint -9.807 1.758 -4.827 {"}'M' greentint -9.574 1.854 -4.823 {"}'M' greentint -10.317 1.028 -4.6 {"}'M' greentint -10.257 1.271 -4.589 {"}'M' greentint -10.138 1.492 -4.58 {"}'M' greentint -9.968 1.676 -4.572 {"}'M' greentint -9.757 1.812 -4.566 {"}'M' greentint -9.519 1.891 -4.562 {"}'M' greentint -10.257 1.149 -4.336 {"}'M' greentint -10.161 1.382 -4.325 {"}'M' greentint -10.007 1.582 -4.317 {"}'M' greentint -9.807 1.735 -4.31 {"}'M' greentint -9.574 1.832 -4.306 {"}'M' greentint -10.108 1.257 -4.089 {"}'M' greentint -9.964 1.472 -4.08 {"}'M' greentint -9.764 1.634 -4.073 {"}'M' greentint -9.525 1.731 -4.069 {"}'M' greentint -9.925 1.252 -3.882 {"}'M' greentint -9.75 1.444 -3.874 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 185 A}'M' green -9.547 1.857 -4.896 {"}'M' green -10.264 1.177 -4.926 {"}'M' green -10.318 0.99 -4.439 {"}'M' green -9.396 1.823 -4.144 {"}'M' green -9.566 1.58 -3.9 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 185 A}'M' greentint -9.67 1.636 -4.906 {"}'M' greentint -9.836 1.444 -4.914 {"}'M' greentint -10.036 1.289 -4.921 {"}'M' greentint -9.446 1.848 -4.655 {"}'M' greentint -9.562 1.62 -4.665 {"}'M' greentint -9.719 1.418 -4.674 {"}'M' greentint -9.911 1.25 -4.681 {"}'M' greentint -10.132 1.12 -4.687 {"}'M' greentint -9.399 1.827 -4.402 {"}'M' greentint -9.514 1.596 -4.412 {"}'M' greentint -9.669 1.391 -4.421 {"}'M' greentint -9.859 1.218 -4.429 {"}'M' greentint -10.078 1.083 -4.434 {"}'M' greentint -9.509 1.592 -4.154 {"}'M' greentint -9.663 1.386 -4.163 {"}'M' greentint -9.852 1.212 -4.17 {"}'M' greentint -10.07 1.075 -4.176 {"}'M' greentint -9.724 1.379 -3.909 {"}'M' greentint -9.918 1.211 -3.916 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ser A 156 1vzyA_175F_158}P -7.992 5.463 -12.401 {"}-7.992 5.463 -12.401 { ca ser A 156 1vzyA_175F_158}-9.16 5.368 -11.593 { c ser A 156 1vzyA_175F_158}-8.768 4.812 -10.229 { o ser A 156 1vzyA_175F_158}-8.155 3.743 -10.143 { c ser A 156 1vzyA_175F_158}P -8.768 4.812 -10.229 { n val A 157 1vzyA_175F_158}-9.155 5.53 -9.167 { ca val A 157 1vzyA_175F_158}-8.945 5.135 -7.777 { c val A 157 1vzyA_175F_158}-10.312 4.812 -7.198 { o val A 157 1vzyA_175F_158}-11.18 5.654 -7.263 { c val A 157 1vzyA_175F_158}P -10.312 4.812 -7.198 { n gly A 158 1vzyA_175F_158}-10.549 3.586 -6.708 { ca gly A 158 1vzyA_175F_158}-11.759 3.368 -5.953 { c gly A 158 1vzyA_175F_158}-11.371 3.024 -4.524 { o gly A 158 1vzyA_175F_158}-10.479 2.153 -4.286 { c gly A 158 1vzyA_175F_158}P -11.371 3.024 -4.524 { n val A 159 1vzyA_175F_158}-12.086 3.577 -3.583 { ca val A 159 1vzyA_175F_158}-11.846 3.282 -2.179 { c val A 159 1vzyA_175F_158}-13.229 3.265 -1.456 { o val A 159 1vzyA_175F_158}-14.045 4.163 -1.641 { c val A 159 1vzyA_175F_158}P -13.229 3.265 -1.456 { n gly A 160 1vzyA_175F_158}-13.397 2.309 -0.567 { ca gly A 160 1vzyA_175F_158}-14.6 2.222 0.238 { c gly A 160 1vzyA_175F_158}-14.395 1.758 1.627 { o gly A 160 1vzyA_175F_158}-13.464 0.999 1.937 { n gly A 173 1vzyA_175F_158}P -11.562 -1.395 1.573 {"}-11.562 -1.395 1.573 { ca gly A 173 1vzyA_175F_158}-10.659 -1.799 0.527 { c gly A 173 1vzyA_175F_158}-10.577 -0.783 -0.562 { o gly A 173 1vzyA_175F_158}-11.243 0.268 -0.518 { c gly A 173 1vzyA_175F_158}P -10.577 -0.783 -0.562 { n gly A 174 1vzyA_175F_158}-9.785 -1.096 -1.565 { ca gly A 174 1vzyA_175F_158}-9.643 -0.213 -2.699 { c gly A 174 1vzyA_175F_158}-8.879 -0.772 -3.873 { o gly A 174 1vzyA_175F_158}-8.301 -1.905 -3.849 { c gly A 174 1vzyA_175F_158}P -8.879 -0.772 -3.873 { n phe A 175 1vzyA_175F_158}-8.869 0.006 -4.925 { ca phe A 175 1vzyA_175F_158}-8.056 -0.293 -6.071 { c phe A 175 1vzyA_175F_158}-7.596 0.979 -6.742 { o phe A 175 1vzyA_175F_158}-8.153 2.069 -6.521 { c phe A 175 1vzyA_175F_158}P -7.596 0.979 -6.742 { n ile A 176 1vzyA_175F_158}-6.526 0.813 -7.541 { ca ile A 176 1vzyA_175F_158}-6.085 1.78 -8.535 { c ile A 176 1vzyA_175F_158}-5.797 1.088 -9.832 { o ile A 176 1vzyA_175F_158}-5.065 0.075 -9.888 { c ile A 176 1vzyA_175F_158}P -5.797 1.088 -9.832 { n ile A 177 1vzyA_175F_158}-6.39 1.624 -10.883 { ca ile A 177 1vzyA_175F_158}-6.138 1.187 -12.264 { c ile A 177 1vzyA_175F_158}-5.594 2.346 -13.124 { o ile A 177 1vzyA_175F_158}-6.13 3.449 -13.093 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ser A 156 1vzyA_175F_158}P -7.992 5.463 -12.401 { ca ser A 156 1vzyA_175F_158}P -9.16 5.368 -11.593 { n val A 157 1vzyA_175F_158}P -9.155 5.53 -9.167 { ca val A 157 1vzyA_175F_158}P -8.945 5.135 -7.777 { n gly A 158 1vzyA_175F_158}P -10.549 3.586 -6.708 { ca gly A 158 1vzyA_175F_158}P -11.759 3.368 -5.953 {"}P -11.759 3.368 -5.953 { n val A 159 1vzyA_175F_158}P -12.086 3.577 -3.583 { ca val A 159 1vzyA_175F_158}P -11.846 3.282 -2.179 { n gly A 160 1vzyA_175F_158}P -13.397 2.309 -0.567 { ca gly A 160 1vzyA_175F_158}P -14.6 2.222 0.238 {"}P -14.6 2.222 0.238 { n gly A 173 1vzyA_175F_158}P -11.562 -1.395 1.573 { ca gly A 173 1vzyA_175F_158}P -10.659 -1.799 0.527 {"}P -10.659 -1.799 0.527 { n gly A 174 1vzyA_175F_158}P -9.785 -1.096 -1.565 { ca gly A 174 1vzyA_175F_158}P -9.643 -0.213 -2.699 {"}P -9.643 -0.213 -2.699 { n phe A 175 1vzyA_175F_158}P -8.869 0.006 -4.925 { ca phe A 175 1vzyA_175F_158}P -8.056 -0.293 -6.071 { n ile A 176 1vzyA_175F_158}P -6.526 0.813 -7.541 { ca ile A 176 1vzyA_175F_158}P -6.085 1.78 -8.535 { n ile A 177 1vzyA_175F_158}P -6.39 1.624 -10.883 { ca ile A 177 1vzyA_175F_158}P -6.138 1.187 -12.264 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ser A 156 1vzyA_175F_158}P -9.16 5.368 -11.593 {"}-9.16 5.368 -11.593 { ca val A 157 1vzyA_175F_158}-8.945 5.135 -7.777 { ca gly A 158 1vzyA_175F_158}-11.759 3.368 -5.953 { ca val A 159 1vzyA_175F_158}-11.846 3.282 -2.179 { ca gly A 160 1vzyA_175F_158}-14.6 2.222 0.238 { ca gly A 173 1vzyA_175F_158}P -10.659 -1.799 0.527 {"}-10.659 -1.799 0.527 { ca gly A 174 1vzyA_175F_158}-9.643 -0.213 -2.699 { ca phe A 175 1vzyA_175F_158}-8.056 -0.293 -6.071 { ca ile A 176 1vzyA_175F_158}-6.085 1.78 -8.535 { ca ile A 177 1vzyA_175F_158}-6.138 1.187 -12.264 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ser A 156 1vzyA_175F_158}P -9.16 5.368 -11.593 { ca val A 157 1vzyA_175F_158}P -8.945 5.135 -7.777 { ca val A 159 1vzyA_175F_158}P -11.846 3.282 -2.179 { ca phe A 175 1vzyA_175F_158}P -8.056 -0.293 -6.071 { cb phe A 175 1vzyA_175F_158}-8.798 -1.179 -7.085 { cg phe A 175 1vzyA_175F_158}-9.993 -0.512 -7.715 { cd1 phe A 175 1vzyA_175F_158}-9.831 0.36 -8.789 { ce1 phe A 175 1vzyA_175F_158}-11.016 1.042 -9.389 { cz phe A 175 1vzyA_175F_158}-12.283 0.804 -8.839 { cg phe A 175 1vzyA_175F_158}P -9.993 -0.512 -7.715 { cd2 phe A 175 1vzyA_175F_158}-11.272 -0.739 -7.23 { ce2 phe A 175 1vzyA_175F_158}-12.419 -0.064 -7.798 { cz phe A 175 1vzyA_175F_158}ghost -12.283 0.804 -8.839 { ca ile A 176 1vzyA_175F_158}P -6.085 1.78 -8.535 { ca ile A 177 1vzyA_175F_158}P -6.138 1.187 -12.264 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 175 1vzyA_175F_158}P -8.798 -1.179 -7.085 {"}P -8.798 -1.179 -7.085 { cd1 phe A 175 1vzyA_175F_158}P -9.831 0.36 -8.789 { cd2 phe A 175 1vzyA_175F_158}P -11.272 -0.739 -7.23 { ce1 phe A 175 1vzyA_175F_158}P -11.016 1.042 -9.389 { ce2 phe A 175 1vzyA_175F_158}P -12.419 -0.064 -7.798 { cz phe A 175 1vzyA_175F_158}P -12.283 0.804 -8.839 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 175 1vzyA_175F_158}P -8.056 -0.293 -6.071 { cb phe A 175 1vzyA_175F_158}-8.798 -1.179 -7.085 { cg phe A 175 1vzyA_175F_158}-9.993 -0.512 -7.715 { cd1 phe A 175 1vzyA_175F_158}-9.831 0.36 -8.789 { ce1 phe A 175 1vzyA_175F_158}-11.016 1.042 -9.389 { cz phe A 175 1vzyA_175F_158}-12.283 0.804 -8.839 { cg phe A 175 1vzyA_175F_158}P -9.993 -0.512 -7.715 { cd2 phe A 175 1vzyA_175F_158}-11.272 -0.739 -7.23 { ce2 phe A 175 1vzyA_175F_158}-12.419 -0.064 -7.798 { cz phe A 175 1vzyA_175F_158}ghost -12.283 0.804 -8.839 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 175 1vzyA_175F_158}P -8.798 -1.179 -7.085 {"}P -8.798 -1.179 -7.085 { cd1 phe A 175 1vzyA_175F_158}P -9.831 0.36 -8.789 { cd2 phe A 175 1vzyA_175F_158}P -11.272 -0.739 -7.23 { ce1 phe A 175 1vzyA_175F_158}P -11.016 1.042 -9.389 { ce2 phe A 175 1vzyA_175F_158}P -12.419 -0.064 -7.798 { cz phe A 175 1vzyA_175F_158}P -12.283 0.804 -8.839 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 175 A}'P' sky -12.871 1.563 -7.337 {"}'P' sky -12.93 1.453 -7.092 {"}'P' blue -11.687 1.362 -7.096 {"}'P' sky -12.874 1.177 -6.652 {"}'P' sky -11.858 1.135 -6.653 {"}'P' blue -12.612 1.054 -6.465 {"}'P' sky -12.355 1.067 -6.465 {"}'P' blue -12.101 1.026 -6.466 { CZ PHE 175 A}'P' blue -12.476 2.268 -7.899 {"}'P' blue -12.219 2.279 -7.899 {"}'P' sky -12.738 2.045 -7.693 {"}'P' sky -11.968 2.087 -7.691 {"}'P' blue -11.722 2.003 -7.694 {"}'P' sky -12.951 1.732 -7.514 {"}'P' sky -11.725 1.799 -7.512 {"}'P' sky -11.797 1.598 -7.357 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 175 A}'P' green -12.682 1.514 -7.089 {"}'P' green -12.427 1.536 -7.088 {"}'P' green -12.172 1.517 -7.089 {"}'P' sea -11.923 1.458 -7.092 {"}'P' sea -12.863 1.346 -6.861 {"}'P' green -12.612 1.4 -6.858 {"}'P' green -12.355 1.411 -6.858 {"}'P' green -12.1 1.378 -6.859 {"}'P' sea -11.854 1.303 -6.862 {"}'P' sea -12.622 1.24 -6.649 {"}'P' sea -12.362 1.254 -6.648 {"}'P' sea -12.104 1.219 -6.65 { CZ PHE 175 A}'P' sea -12.486 2.108 -7.69 {"}'P' sea -12.226 2.122 -7.689 {"}'P' sea -12.724 1.853 -7.509 {"}'P' green -12.476 1.922 -7.506 {"}'P' green -12.219 1.935 -7.506 {"}'P' sea -11.965 1.894 -7.507 {"}'P' green -12.546 1.69 -7.353 {"}'P' green -12.291 1.726 -7.351 {"}'P' green -12.036 1.694 -7.353 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 158 A}'P' sky -12.217 2.376 -7.548 {"}'P' sky -12.477 2.376 -7.548 {"}'P' blue -11.903 2.351 -7.463 {"}'P' blue -12.782 2.336 -7.464 {"}'P' sky -11.788 2.122 -7.333 {"}'P' sky -12.906 2.122 -7.333 {"}'P' sky -11.742 1.898 -7.158 {"}'P' blue -12.94 1.887 -7.158 {"}'P' sky -11.748 1.706 -6.944 {"}'P' sky -12.946 1.706 -6.944 {"}'P' sky -11.845 1.539 -6.704 {"}'P' sky -12.034 1.425 -6.448 {"}'P' sky -12.78 1.465 -6.446 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 158 A}'P' sea -12.086 2.162 -7.471 {"}'P' green -12.339 2.09 -7.474 {"}'P' sea -12.593 2.154 -7.471 {"}'P' sea -11.982 1.96 -7.34 {"}'P' green -12.22 1.873 -7.344 {"}'P' green -12.474 1.873 -7.344 {"}'P' sea -12.712 1.96 -7.34 {"}'P' sea -11.959 1.755 -7.164 {"}'P' green -12.209 1.679 -7.167 {"}'P' green -12.469 1.677 -7.167 {"}'P' sea -12.719 1.748 -7.164 {"}'P' sea -11.973 1.588 -6.949 {"}'P' green -12.22 1.528 -6.952 {"}'P' green -12.474 1.528 -6.952 {"}'P' green -12.721 1.588 -6.949 {"}'P' green -12.085 1.453 -6.708 {"}'P' green -12.339 1.423 -6.709 {"}'P' green -12.593 1.45 -6.708 {"}'P' sea -12.835 1.532 -6.704 {"}'P' sea -12.284 1.384 -6.45 {"}'P' sea -12.536 1.398 -6.449 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 175 A}'M' greentint -9.206 2.48 -7.348 {"}'M' greentint -9.4 2.223 -7.139 {"}'M' greentint -9.349 2.471 -7.128 {"}'M' greentint -9.249 2.704 -7.118 {"}'M' greentint -9.104 2.912 -7.109 {"}'M' greentint -9.493 1.95 -6.91 {"}'M' greentint -9.494 2.205 -6.899 {"}'M' greentint -9.447 2.457 -6.888 {"}'M' greentint -9.354 2.695 -6.877 {"}'M' greentint -9.216 2.911 -6.868 {"}'M' greentint -9.041 3.097 -6.86 {"}'M' greentint -9.547 2.075 -6.65 {"}'M' greentint -9.523 2.331 -6.639 {"}'M' greentint -9.453 2.578 -6.628 {"}'M' greentint -9.338 2.808 -6.618 {"}'M' greentint -9.183 3.013 -6.609 {"}'M' greentint -9.547 2.055 -6.392 {"}'M' greentint -9.525 2.311 -6.381 {"}'M' greentint -9.456 2.559 -6.37 {"}'M' greentint -9.343 2.79 -6.36 {"}'M' greentint -9.189 2.996 -6.351 {"}'M' greentint -9.445 2.431 -6.122 {"}'M' greentint -9.35 2.669 -6.111 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 158 A}'M' greentint -9.124 2.566 -7.329 {"}'M' greentint -9.234 2.332 -7.34 {"}'M' greentint -9.021 2.553 -7.088 {"}'M' greentint -9.117 2.32 -7.099 {"}'M' greentint -9.271 2.12 -7.107 {"}'M' greentint -8.988 2.802 -7.078 {"}'M' greentint -8.983 2.55 -6.83 {"}'M' greentint -9.074 2.317 -6.84 {"}'M' greentint -9.22 2.113 -6.849 {"}'M' greentint -9.411 1.952 -6.856 {"}'M' greentint -8.987 3.047 -6.808 {"}'M' greentint -8.954 2.799 -6.819 {"}'M' greentint -9.021 2.53 -6.571 {"}'M' greentint -9.117 2.297 -6.581 {"}'M' greentint -9.271 2.097 -6.59 {"}'M' greentint -9.471 1.944 -6.597 {"}'M' greentint -9.021 3.029 -6.55 {"}'M' greentint -8.988 2.78 -6.56 {"}'M' greentint -9.124 2.522 -6.33 {"}'M' greentint -9.234 2.289 -6.34 {"}'M' greentint -9.408 2.098 -6.349 {"}'M' greentint -9.129 3.032 -6.308 {"}'M' greentint -9.088 2.777 -6.319 {"}'M' greentint -9.295 2.505 -6.124 {"}'M' greentint -9.431 2.284 -6.133 {"}'M' greentint -9.247 2.76 -6.113 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 175 A}'M' greentint -10.249 1.336 -5.245 {"}'M' greentint -10.095 1.536 -5.236 {"}'M' greentint -9.895 1.689 -5.229 {"}'M' greentint -9.662 1.785 -5.225 {"}'M' greentint -10.405 0.959 -5.002 {"}'M' greentint -10.345 1.202 -4.991 {"}'M' greentint -10.226 1.423 -4.982 {"}'M' greentint -10.056 1.607 -4.974 {"}'M' greentint -9.845 1.743 -4.968 {"}'M' greentint -9.607 1.822 -4.964 {"}'M' greentint -9.357 1.84 -4.963 {"}'M' greentint -10.345 1.08 -4.738 {"}'M' greentint -10.249 1.313 -4.727 {"}'M' greentint -10.095 1.513 -4.719 {"}'M' greentint -9.895 1.666 -4.712 {"}'M' greentint -9.662 1.763 -4.708 {"}'M' greentint -9.412 1.796 -4.706 {"}'M' greentint -10.27 0.941 -4.502 {"}'M' greentint -10.196 1.188 -4.491 {"}'M' greentint -10.052 1.403 -4.482 {"}'M' greentint -9.852 1.565 -4.475 {"}'M' greentint -9.613 1.662 -4.471 {"}'M' greentint -9.356 1.684 -4.47 {"}'M' greentint -10.107 0.941 -4.295 {"}'M' greentint -10.013 1.183 -4.284 {"}'M' greentint -9.838 1.375 -4.276 {"}'M' greentint -9.606 1.491 -4.271 {"}'M' greentint -9.347 1.515 -4.27 {"}'M' greentint -9.849 1.047 -4.131 {"}'M' greentint -9.669 1.233 -4.123 {"}'M' greentint -9.42 1.304 -4.12 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 158 A}'M' greentint -9.673 1.709 -5.341 {"}'M' greentint -9.835 1.509 -5.35 {"}'M' greentint -10.045 1.361 -5.356 {"}'M' greentint -9.477 1.696 -5.15 {"}'M' greentint -9.618 1.479 -5.16 {"}'M' greentint -9.805 1.299 -5.168 {"}'M' greentint -10.029 1.168 -5.173 {"}'M' greentint -10.277 1.092 -5.177 {"}'M' greentint -9.327 1.686 -4.931 {"}'M' greentint -9.45 1.465 -4.941 {"}'M' greentint -9.616 1.273 -4.949 {"}'M' greentint -9.816 1.118 -4.956 {"}'M' greentint -10.044 1.006 -4.961 {"}'M' greentint -10.289 0.943 -4.963 {"}'M' greentint -9.226 1.677 -4.69 {"}'M' greentint -9.342 1.449 -4.7 {"}'M' greentint -9.499 1.247 -4.709 {"}'M' greentint -9.691 1.079 -4.716 {"}'M' greentint -9.912 0.949 -4.722 {"}'M' greentint -10.154 0.864 -4.726 {"}'M' greentint -9.294 1.425 -4.447 {"}'M' greentint -9.449 1.22 -4.456 {"}'M' greentint -9.639 1.047 -4.464 {"}'M' greentint -9.858 0.912 -4.469 {"}'M' greentint -10.098 0.819 -4.474 {"}'M' greentint -9.443 1.215 -4.198 {"}'M' greentint -9.632 1.041 -4.205 {"}'M' greentint -9.85 0.904 -4.211 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n met A 30 1w2tA_32Y_47G}P -12.01 -1.652 0.771 {"}-12.01 -1.652 0.771 { ca met A 30 1w2tA_32Y_47G}-10.947 -1.987 -0.164 { c met A 30 1w2tA_32Y_47G}-10.913 -0.966 -1.292 { o met A 30 1w2tA_32Y_47G}-11.883 -0.808 -2.038 { c met A 30 1w2tA_32Y_47G}P -10.913 -0.966 -1.292 { n phe A 31 1w2tA_32Y_47G}-9.786 -0.278 -1.408 { ca phe A 31 1w2tA_32Y_47G}-9.51 0.581 -2.549 { c phe A 31 1w2tA_32Y_47G}-8.602 -0.172 -3.518 { o phe A 31 1w2tA_32Y_47G}-8.131 -1.264 -3.203 { c phe A 31 1w2tA_32Y_47G}P -8.602 -0.172 -3.518 { n tyr A 32 1w2tA_32Y_47G}-8.36 0.4 -4.695 { ca tyr A 32 1w2tA_32Y_47G}-7.522 -0.271 -5.691 { c tyr A 32 1w2tA_32Y_47G}-7.015 0.646 -6.796 { o tyr A 32 1w2tA_32Y_47G}-7.687 1.589 -7.191 { c tyr A 32 1w2tA_32Y_47G}P -7.015 0.646 -6.796 { n gln A 33 1w2tA_32Y_47G}-5.823 0.339 -7.297 { ca gln A 33 1w2tA_32Y_47G}-5.261 1.027 -8.454 { c gln A 33 1w2tA_32Y_47G}-6.208 0.83 -9.639 { o gln A 33 1w2tA_32Y_47G}-6.524 -0.3 -9.988 { c gln A 33 1w2tA_32Y_47G}P -6.208 0.83 -9.639 { n tyr A 34 1w2tA_32Y_47G}-6.66 1.922 -10.249 { ca tyr A 34 1w2tA_32Y_47G}-7.778 1.862 -11.189 { c tyr A 34 1w2tA_32Y_47G}-7.629 2.821 -12.37 { o tyr A 34 1w2tA_32Y_47G}-7.348 3.999 -12.183 { n cys A 45 1w2tA_32Y_47G}P -6.195 6.122 -10.688 {"}-6.195 6.122 -10.688 { ca cys A 45 1w2tA_32Y_47G}-7.018 6.579 -9.568 { c cys A 45 1w2tA_32Y_47G}-7.133 5.466 -8.522 { o cys A 45 1w2tA_32Y_47G}-6.711 4.337 -8.759 { c cys A 45 1w2tA_32Y_47G}P -7.133 5.466 -8.522 { n trp A 46 1w2tA_32Y_47G}-7.712 5.792 -7.369 { ca trp A 46 1w2tA_32Y_47G}-8.128 4.788 -6.393 { c trp A 46 1w2tA_32Y_47G}-9.626 4.513 -6.535 { o trp A 46 1w2tA_32Y_47G}-10.45 5.367 -6.213 { c trp A 46 1w2tA_32Y_47G}P -9.626 4.513 -6.535 { n gly A 47 1w2tA_32Y_47G}-9.968 3.33 -7.034 { ca gly A 47 1w2tA_32Y_47G}-11.322 2.818 -6.949 { c gly A 47 1w2tA_32Y_47G}-11.656 2.43 -5.516 { o gly A 47 1w2tA_32Y_47G}-10.778 2.393 -4.655 { c gly A 47 1w2tA_32Y_47G}P -11.656 2.43 -5.516 { n his A 48 1w2tA_32Y_47G}-12.923 2.12 -5.264 { ca his A 48 1w2tA_32Y_47G}-13.419 1.91 -3.905 { c his A 48 1w2tA_32Y_47G}-14.565 0.896 -3.872 { o his A 48 1w2tA_32Y_47G}-15.489 0.972 -4.671 { c his A 48 1w2tA_32Y_47G}P -14.565 0.896 -3.872 { n ala A 49 1w2tA_32Y_47G}-14.475 -0.058 -2.953 { ca ala A 49 1w2tA_32Y_47G}-15.555 -1.004 -2.672 { c ala A 49 1w2tA_32Y_47G}-15.645 -1.267 -1.169 { o ala A 49 1w2tA_32Y_47G}-14.737 -0.939 -0.409 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n met A 30 1w2tA_32Y_47G}P -12.01 -1.652 0.771 { ca met A 30 1w2tA_32Y_47G}P -10.947 -1.987 -0.164 { n phe A 31 1w2tA_32Y_47G}P -9.786 -0.278 -1.408 { ca phe A 31 1w2tA_32Y_47G}P -9.51 0.581 -2.549 { n tyr A 32 1w2tA_32Y_47G}P -8.36 0.4 -4.695 { ca tyr A 32 1w2tA_32Y_47G}P -7.522 -0.271 -5.691 { n gln A 33 1w2tA_32Y_47G}P -5.823 0.339 -7.297 { ca gln A 33 1w2tA_32Y_47G}P -5.261 1.027 -8.454 { n tyr A 34 1w2tA_32Y_47G}P -6.66 1.922 -10.249 { ca tyr A 34 1w2tA_32Y_47G}P -7.778 1.862 -11.189 { n cys A 45 1w2tA_32Y_47G}P -6.195 6.122 -10.688 { ca cys A 45 1w2tA_32Y_47G}P -7.018 6.579 -9.568 { n trp A 46 1w2tA_32Y_47G}P -7.712 5.792 -7.369 { ca trp A 46 1w2tA_32Y_47G}P -8.128 4.788 -6.393 { n gly A 47 1w2tA_32Y_47G}P -9.968 3.33 -7.034 { ca gly A 47 1w2tA_32Y_47G}P -11.322 2.818 -6.949 {"}P -11.322 2.818 -6.949 { n his A 48 1w2tA_32Y_47G}P -12.923 2.12 -5.264 { ca his A 48 1w2tA_32Y_47G}P -13.419 1.91 -3.905 { n ala A 49 1w2tA_32Y_47G}P -14.475 -0.058 -2.953 { ca ala A 49 1w2tA_32Y_47G}P -15.555 -1.004 -2.672 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca met A 30 1w2tA_32Y_47G}P -10.947 -1.987 -0.164 {"}-10.947 -1.987 -0.164 { ca phe A 31 1w2tA_32Y_47G}-9.51 0.581 -2.549 { ca tyr A 32 1w2tA_32Y_47G}-7.522 -0.271 -5.691 { ca gln A 33 1w2tA_32Y_47G}-5.261 1.027 -8.454 { ca tyr A 34 1w2tA_32Y_47G}-7.778 1.862 -11.189 { ca cys A 45 1w2tA_32Y_47G}P -7.018 6.579 -9.568 {"}-7.018 6.579 -9.568 { ca trp A 46 1w2tA_32Y_47G}-8.128 4.788 -6.393 { ca gly A 47 1w2tA_32Y_47G}-11.322 2.818 -6.949 { ca his A 48 1w2tA_32Y_47G}-13.419 1.91 -3.905 { ca ala A 49 1w2tA_32Y_47G}-15.555 -1.004 -2.672 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca met A 30 1w2tA_32Y_47G}P -10.947 -1.987 -0.164 { ca phe A 31 1w2tA_32Y_47G}P -9.51 0.581 -2.549 { ca tyr A 32 1w2tA_32Y_47G}P -7.522 -0.271 -5.691 { cb tyr A 32 1w2tA_32Y_47G}-8.263 -1.456 -6.326 { cg tyr A 32 1w2tA_32Y_47G}-9.61 -1.127 -6.932 { cd1 tyr A 32 1w2tA_32Y_47G}-9.743 -0.869 -8.291 { ce1 tyr A 32 1w2tA_32Y_47G}-10.987 -0.586 -8.852 { cz tyr A 32 1w2tA_32Y_47G}-12.109 -0.561 -8.054 { oh tyr A 32 1w2tA_32Y_47G}-13.345 -0.278 -8.605 { cg tyr A 32 1w2tA_32Y_47G}P -9.61 -1.127 -6.932 { cd2 tyr A 32 1w2tA_32Y_47G}-10.761 -1.104 -6.149 { ce2 tyr A 32 1w2tA_32Y_47G}-12.001 -0.818 -6.697 { cz tyr A 32 1w2tA_32Y_47G}ghost -12.109 -0.561 -8.054 { ca gln A 33 1w2tA_32Y_47G}P -5.261 1.027 -8.454 { ca tyr A 34 1w2tA_32Y_47G}P -7.778 1.862 -11.189 { ca cys A 45 1w2tA_32Y_47G}P -7.018 6.579 -9.568 { ca trp A 46 1w2tA_32Y_47G}P -8.128 4.788 -6.393 { ca his A 48 1w2tA_32Y_47G}P -13.419 1.91 -3.905 { ca ala A 49 1w2tA_32Y_47G}P -15.555 -1.004 -2.672 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 32 1w2tA_32Y_47G}P -8.263 -1.456 -6.326 {"}P -8.263 -1.456 -6.326 { cd1 tyr A 32 1w2tA_32Y_47G}P -9.743 -0.869 -8.291 { cd2 tyr A 32 1w2tA_32Y_47G}P -10.761 -1.104 -6.149 { ce1 tyr A 32 1w2tA_32Y_47G}P -10.987 -0.586 -8.852 { ce2 tyr A 32 1w2tA_32Y_47G}P -12.001 -0.818 -6.697 { oh tyr A 32 1w2tA_32Y_47G}P -13.345 -0.278 -8.605 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 32 1w2tA_32Y_47G}P -7.522 -0.271 -5.691 { cb tyr A 32 1w2tA_32Y_47G}-8.263 -1.456 -6.326 { cg tyr A 32 1w2tA_32Y_47G}-9.61 -1.127 -6.932 { cd1 tyr A 32 1w2tA_32Y_47G}-9.743 -0.869 -8.291 { ce1 tyr A 32 1w2tA_32Y_47G}-10.987 -0.586 -8.852 { cz tyr A 32 1w2tA_32Y_47G}-12.109 -0.561 -8.054 { oh tyr A 32 1w2tA_32Y_47G}-13.345 -0.278 -8.605 { cg tyr A 32 1w2tA_32Y_47G}P -9.61 -1.127 -6.932 { cd2 tyr A 32 1w2tA_32Y_47G}-10.761 -1.104 -6.149 { ce2 tyr A 32 1w2tA_32Y_47G}-12.001 -0.818 -6.697 { cz tyr A 32 1w2tA_32Y_47G}ghost -12.109 -0.561 -8.054 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 32 1w2tA_32Y_47G}P -8.263 -1.456 -6.326 {"}P -8.263 -1.456 -6.326 { cd1 tyr A 32 1w2tA_32Y_47G}P -9.743 -0.869 -8.291 { cd2 tyr A 32 1w2tA_32Y_47G}P -10.761 -1.104 -6.149 { ce1 tyr A 32 1w2tA_32Y_47G}P -10.987 -0.586 -8.852 { ce2 tyr A 32 1w2tA_32Y_47G}P -12.001 -0.818 -6.697 { oh tyr A 32 1w2tA_32Y_47G}P -13.345 -0.278 -8.605 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 32 A}'P' sky -10.865 1.147 -8.645 {"}'P' sky -10.491 0.936 -8.146 {"}'P' sky -10.672 0.697 -7.704 { CE2 TYR 32 A}'P' sky -12.205 0.891 -7.012 {"}'P' blue -11.128 0.698 -6.762 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 32 A}'P' sea -11.632 1.028 -8.651 {"}'P' sea -11.383 1.106 -8.647 {"}'P' sea -11.126 1.146 -8.645 {"}'P' green -11.439 1.041 -8.391 {"}'P' green -11.183 1.09 -8.389 {"}'P' green -10.922 1.1 -8.389 {"}'P' sea -10.662 1.07 -8.39 {"}'P' green -10.74 0.995 -8.143 {"}'P' green -10.923 0.889 -7.912 {"}'P' sea -10.668 0.856 -7.913 {"}'P' green -10.93 0.732 -7.702 { CE2 TYR 32 A}'P' green -11.944 0.903 -7.012 {"}'P' green -11.684 0.874 -7.013 {"}'P' green -11.432 0.806 -7.016 {"}'P' sea -11.193 0.7 -7.02 {"}'P' sea -11.613 0.887 -6.753 {"}'P' sea -11.363 0.811 -6.757 { CZ TYR 32 A}'P' green -12.052 1.16 -8.369 {"}'P' green -11.792 1.131 -8.37 {"}'P' green -11.54 1.063 -8.373 {"}'P' green -12.239 1.183 -8.109 {"}'P' green -12.305 1.115 -7.591 {"}'P' green -11.075 0.778 -7.606 {"}'P' green -11.158 0.733 -7.358 {"}'P' green -12.045 0.914 -7.114 {"}'P' green -11.79 0.881 -7.115 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 TYR 32 A}'P' P -11.25 0.992 -8.143 {"}'P' -11.245 0.964 -8.156 {"}'P' P -10.995 1.014 -8.142 {"}'P' -10.995 1.008 -8.144 { CZ TYR 32 A}'P' P -11.979 1.183 -8.109 {"}'P' -11.983 1.13 -8.107 {"}'P' P -11.721 1.144 -8.11 {"}'P' -11.741 1.056 -8.108 {"}'P' P -11.471 1.068 -8.114 {"}'P' -11.5 0.995 -8.111 {"}'P' P -12.248 1.171 -7.847 {"}'P' -12.247 1.161 -7.849 {"}'P' P -11.987 1.172 -7.847 {"}'P' -11.993 1.079 -7.859 {"}'P' P -11.729 1.135 -7.849 {"}'P' -11.759 1.002 -7.865 {"}'P' P -11.479 1.059 -7.852 {"}'P' -11.524 0.943 -7.867 {"}'P' P -11.244 0.947 -7.857 {"}'P' -11.275 0.893 -7.864 {"}'P' P -12.044 1.125 -7.591 {"}'P' -12.046 1.054 -7.61 {"}'P' P -11.784 1.095 -7.592 {"}'P' -11.807 0.977 -7.625 {"}'P' P -11.532 1.026 -7.595 {"}'P' -11.573 0.914 -7.627 {"}'P' P -11.294 0.919 -7.6 {"}'P' -11.326 0.862 -7.617 {"}'P' P -12.117 1.039 -7.344 {"}'P' -12.117 1.036 -7.345 {"}'P' P -11.862 1.02 -7.345 {"}'P' -11.87 0.967 -7.369 {"}'P' P -11.613 0.961 -7.348 {"}'P' -11.633 0.902 -7.375 {"}'P' P -11.377 0.865 -7.352 {"}'P' -11.389 0.841 -7.364 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 47 A}'P' sky -10.643 1.268 -8.145 {"}'P' sky -10.675 1.053 -7.646 {"}'P' sky -11.058 0.937 -7.143 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 47 A}'P' sea -11.067 1.353 -8.548 {"}'P' sea -11.305 1.266 -8.552 {"}'P' sea -11.559 1.266 -8.552 {"}'P' sea -10.827 1.291 -8.366 {"}'P' green -11.044 1.148 -8.372 {"}'P' green -11.294 1.072 -8.375 {"}'P' green -11.554 1.07 -8.375 {"}'P' green -11.804 1.141 -8.372 {"}'P' green -10.833 1.099 -8.152 {"}'P' green -12.221 1.268 -8.145 {"}'P' sea -10.714 1.069 -7.906 {"}'P' green -10.93 0.932 -7.912 {"}'P' green -12.319 1.238 -7.898 {"}'P' sea -10.884 0.911 -7.652 {"}'P' green -12.281 1.14 -7.642 {"}'P' green -11.17 0.823 -7.395 {"}'P' green -11.559 0.876 -7.145 {"}'P' green -11.806 0.937 -7.143 {"}'P' sea -11.294 1.009 -6.918 {"}'P' green -11.554 1.006 -6.918 {"}'P' sea -11.804 1.077 -6.915 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 47 A}'P' P -11.058 0.981 -8.157 {"}'P' -11.064 0.995 -8.149 {"}'P' P -11.305 0.921 -8.16 {"}'P' -11.308 0.948 -8.145 {"}'P' P -11.559 0.921 -8.16 {"}'P' -11.55 0.993 -8.121 {"}'P' P -11.806 0.981 -8.157 {"}'P' -11.778 1.053 -8.116 {"}'P' P -12.031 1.099 -8.152 {"}'P' -12.009 1.13 -8.132 {"}'P' P -11.17 0.846 -7.916 {"}'P' -11.176 0.871 -7.909 {"}'P' P -11.424 0.816 -7.917 {"}'P' -11.425 0.915 -7.89 {"}'P' P -11.678 0.843 -7.916 {"}'P' -11.649 0.972 -7.879 {"}'P' P -11.92 0.925 -7.912 {"}'P' -11.868 1.032 -7.88 {"}'P' P -12.137 1.059 -7.906 {"}'P' -12.1 1.106 -7.891 {"}'P' P -11.119 0.818 -7.656 {"}'P' -11.12 0.821 -7.656 {"}'P' P -11.369 0.777 -7.658 {"}'P' -11.373 0.862 -7.654 {"}'P' P -11.621 0.791 -7.657 {"}'P' -11.6 0.918 -7.652 {"}'P' P -11.865 0.858 -7.654 {"}'P' -11.818 0.977 -7.649 {"}'P' P -12.089 0.977 -7.649 {"}'P' -12.044 1.043 -7.646 {"}'P' P -11.424 0.793 -7.397 {"}'P' -11.424 0.84 -7.405 {"}'P' P -11.678 0.82 -7.395 {"}'P' -11.661 0.897 -7.41 {"}'P' P -11.92 0.902 -7.392 {"}'P' -11.892 0.961 -7.404 {"}'P' P -12.137 1.037 -7.386 {"}'P' -12.131 1.044 -7.388 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 32 A}'M' green -8.46 2.432 -7.999 {"}'M' green -9.028 1.725 -7.569 {"}'M' green -9.059 1.831 -7.051 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 32 A}'M' greentint -8.625 2.232 -8.007 {"}'M' greentint -8.883 1.991 -7.798 {"}'M' greentint -8.783 2.224 -7.788 {"}'M' greentint -8.638 2.432 -7.779 {"}'M' greentint -8.454 2.606 -7.771 {"}'M' greentint -8.981 1.977 -7.558 {"}'M' greentint -8.888 2.215 -7.547 {"}'M' greentint -8.75 2.431 -7.538 {"}'M' greentint -8.575 2.617 -7.53 {"}'M' greentint -8.367 2.767 -7.523 {"}'M' greentint -9.057 1.851 -7.309 {"}'M' greentint -8.987 2.098 -7.298 {"}'M' greentint -8.872 2.328 -7.288 {"}'M' greentint -8.717 2.533 -7.279 {"}'M' greentint -8.527 2.706 -7.272 {"}'M' greentint -8.99 2.079 -7.04 {"}'M' greentint -8.877 2.31 -7.03 {"}'M' greentint -8.723 2.516 -7.021 {"}'M' greentint -8.534 2.69 -7.014 {"}'M' greentint -8.884 2.189 -6.781 {"}'M' greentint -8.745 2.404 -6.772 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 47 A}'M' greentint -8.394 2.479 -7.765 {"}'M' greentint -8.49 2.246 -7.776 {"}'M' greentint -8.644 2.046 -7.784 {"}'M' greentint -8.844 1.893 -7.791 {"}'M' greentint -8.356 2.476 -7.507 {"}'M' greentint -8.447 2.243 -7.517 {"}'M' greentint -8.593 2.039 -7.526 {"}'M' greentint -8.784 1.878 -7.533 {"}'M' greentint -9.01 1.769 -7.537 {"}'M' greentint -8.327 2.725 -7.496 {"}'M' greentint -8.394 2.456 -7.248 {"}'M' greentint -8.49 2.223 -7.258 {"}'M' greentint -8.644 2.023 -7.267 {"}'M' greentint -8.844 1.87 -7.274 {"}'M' greentint -8.361 2.706 -7.237 {"}'M' greentint -8.497 2.448 -7.007 {"}'M' greentint -8.607 2.215 -7.017 {"}'M' greentint -8.781 2.024 -7.026 {"}'M' greentint -9.003 1.893 -7.032 {"}'M' greentint -8.461 2.703 -6.996 {"}'M' greentint -8.668 2.431 -6.801 {"}'M' greentint -8.804 2.21 -6.81 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 32 A}'M' -9.499 1.681 -5.458 {"}'M' -9.355 1.895 -5.449 {"}'M' -9.681 1.302 -5.234 {"}'M' -9.198 2.138 -5.197 {"}'M' -9.706 1.158 -4.981 {"}'M' -9.148 2.192 -4.936 {"}'M' -9.155 2.014 -4.443 {"}'M' -9.316 1.632 -4.252 @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 32 A}'M' green -9.648 1.552 -5.223 {"}'M' green -9.552 1.785 -5.213 {"}'M' green -9.398 1.985 -5.204 {"}'M' green -9.708 1.408 -4.97 {"}'M' green -9.359 2.056 -4.942 {"}'M' sea -9.681 1.28 -4.716 {"}'M' green -9.648 1.529 -4.706 {"}'M' green -9.398 1.962 -4.687 {"}'M' sea -9.198 2.115 -4.68 {"}'M' sea -9.573 1.39 -4.47 {"}'M' green -9.499 1.637 -4.459 {"}'M' green -9.355 1.852 -4.45 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 32 A}'M' greentint -9.648 1.651 -4.959 {"}'M' greentint -9.529 1.872 -4.95 {"}'M' greentint -9.552 1.762 -4.695 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 47 A}'M' sky -9.55 2.168 -5.289 {"}'M' sky -9.915 1.513 -5.318 {"}'M' sky -9.99 1.319 -5.085 {"}'M' sky -9.384 2.399 -4.784 {"}'M' sky -9.456 2.122 -4.283 @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 47 A}'M' sea -9.626 1.926 -5.3 {"}'M' sea -9.749 1.705 -5.31 {"}'M' green -9.454 2.163 -5.049 {"}'M' green -9.525 1.917 -5.059 {"}'M' green -9.641 1.689 -5.069 {"}'M' green -9.798 1.487 -5.078 {"}'M' green -9.408 2.143 -4.795 {"}'M' green -9.748 1.46 -4.825 {"}'M' sea -9.938 1.287 -4.833 {"}'M' sea -9.406 2.14 -4.537 {"}'M' green -9.475 1.892 -4.548 {"}'M' green -9.588 1.661 -4.558 {"}'M' green -9.742 1.455 -4.567 {"}'M' sea -9.528 1.876 -4.294 {"}'M' sea -9.645 1.649 -4.304 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 47 A}'M' greentint -9.478 1.896 -4.806 {"}'M' greentint -9.593 1.665 -4.816 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n asp A 229 1w7cA_251F_231}P -6.976 6.056 -11.939 {"}-6.976 6.056 -11.939 { ca asp A 229 1w7cA_251F_231}-8.094 6.366 -11.061 { c asp A 229 1w7cA_251F_231}-8.088 5.367 -9.904 { o asp A 229 1w7cA_251F_231}-7.688 4.213 -10.076 { c asp A 229 1w7cA_251F_231}P -8.088 5.367 -9.904 { n tyr A 230 1w7cA_251F_231}-8.485 5.836 -8.741 { ca tyr A 230 1w7cA_251F_231}-8.624 4.997 -7.573 { c tyr A 230 1w7cA_251F_231}-10.105 4.655 -7.392 { o tyr A 230 1w7cA_251F_231}-10.979 5.235 -8.022 { c tyr A 230 1w7cA_251F_231}P -10.105 4.655 -7.392 { n gly A 231 1w7cA_251F_231}-10.367 3.697 -6.525 { ca gly A 231 1w7cA_251F_231}-11.721 3.279 -6.233 { c gly A 231 1w7cA_251F_231}-11.843 2.523 -4.933 { o gly A 231 1w7cA_251F_231}-10.831 2.209 -4.281 { c gly A 231 1w7cA_251F_231}P -11.843 2.523 -4.933 { n thr A 232 1w7cA_251F_231}-13.095 2.295 -4.534 { ca thr A 232 1w7cA_251F_231}-13.367 1.522 -3.338 { c thr A 232 1w7cA_251F_231}-14.658 0.762 -3.48 { o thr A 232 1w7cA_251F_231}-15.322 0.847 -4.52 { c thr A 232 1w7cA_251F_231}P -14.658 0.762 -3.48 { n cys A 233 1w7cA_251F_231}-15.012 0.021 -2.434 { ca cys A 233 1w7cA_251F_231}-16.27 -0.7 -2.385 { c cys A 233 1w7cA_251F_231}-17.048 -0.323 -1.124 { o cys A 233 1w7cA_251F_231}-16.464 -0.075 -0.065 { n phe A 249 1w7cA_251F_231}P -11.664 -1.393 1.396 {"}-11.664 -1.393 1.396 { ca phe A 249 1w7cA_251F_231}-10.98 -2.067 0.29 { c phe A 249 1w7cA_251F_231}-10.82 -1.088 -0.862 { o phe A 249 1w7cA_251F_231}-11.801 -0.527 -1.329 { c phe A 249 1w7cA_251F_231}P -10.82 -1.088 -0.862 { n phe A 250 1w7cA_251F_231}-9.594 -0.875 -1.31 { ca phe A 250 1w7cA_251F_231}-9.286 0.113 -2.342 { c phe A 250 1w7cA_251F_231}-8.552 -0.525 -3.523 { o phe A 250 1w7cA_251F_231}-7.97 -1.602 -3.419 { c phe A 250 1w7cA_251F_231}P -8.552 -0.525 -3.523 { n phe A 251 1w7cA_251F_231}-8.55 0.188 -4.633 { ca phe A 251 1w7cA_251F_231}-7.859 -0.234 -5.817 { c phe A 251 1w7cA_251F_231}-7.496 0.959 -6.691 { o phe A 251 1w7cA_251F_231}-7.981 2.069 -6.492 { c phe A 251 1w7cA_251F_231}P -7.496 0.959 -6.691 { n lys A 252 1w7cA_251F_231}-6.63 0.691 -7.655 { ca lys A 252 1w7cA_251F_231}-6.106 1.691 -8.571 { c lys A 252 1w7cA_251F_231}-5.983 1.053 -9.929 { o lys A 252 1w7cA_251F_231}-5.468 -0.055 -10.047 { c lys A 252 1w7cA_251F_231}P -5.983 1.053 -9.929 { n phe A 253 1w7cA_251F_231}-6.444 1.754 -10.957 { ca phe A 253 1w7cA_251F_231}-6.388 1.247 -12.323 { c phe A 253 1w7cA_251F_231}-5.93 2.302 -13.314 { o phe A 253 1w7cA_251F_231}-6.013 3.491 -13.064 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n asp A 229 1w7cA_251F_231}P -6.976 6.056 -11.939 { ca asp A 229 1w7cA_251F_231}P -8.094 6.366 -11.061 { n tyr A 230 1w7cA_251F_231}P -8.485 5.836 -8.741 { ca tyr A 230 1w7cA_251F_231}P -8.624 4.997 -7.573 { n gly A 231 1w7cA_251F_231}P -10.367 3.697 -6.525 { ca gly A 231 1w7cA_251F_231}P -11.721 3.279 -6.233 {"}P -11.721 3.279 -6.233 { n thr A 232 1w7cA_251F_231}P -13.095 2.295 -4.534 { ca thr A 232 1w7cA_251F_231}P -13.367 1.522 -3.338 { n cys A 233 1w7cA_251F_231}P -15.012 0.021 -2.434 { ca cys A 233 1w7cA_251F_231}P -16.27 -0.7 -2.385 { n phe A 249 1w7cA_251F_231}P -11.664 -1.393 1.396 { ca phe A 249 1w7cA_251F_231}P -10.98 -2.067 0.29 { n phe A 250 1w7cA_251F_231}P -9.594 -0.875 -1.31 { ca phe A 250 1w7cA_251F_231}P -9.286 0.113 -2.342 { n phe A 251 1w7cA_251F_231}P -8.55 0.188 -4.633 { ca phe A 251 1w7cA_251F_231}P -7.859 -0.234 -5.817 { n lys A 252 1w7cA_251F_231}P -6.63 0.691 -7.655 { ca lys A 252 1w7cA_251F_231}P -6.106 1.691 -8.571 { n phe A 253 1w7cA_251F_231}P -6.444 1.754 -10.957 { ca phe A 253 1w7cA_251F_231}P -6.388 1.247 -12.323 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca asp A 229 1w7cA_251F_231}P -8.094 6.366 -11.061 {"}-8.094 6.366 -11.061 { ca tyr A 230 1w7cA_251F_231}-8.624 4.997 -7.573 { ca gly A 231 1w7cA_251F_231}-11.721 3.279 -6.233 { ca thr A 232 1w7cA_251F_231}-13.367 1.522 -3.338 { ca cys A 233 1w7cA_251F_231}-16.27 -0.7 -2.385 { ca phe A 249 1w7cA_251F_231}P -10.98 -2.067 0.29 {"}-10.98 -2.067 0.29 { ca phe A 250 1w7cA_251F_231}-9.286 0.113 -2.342 { ca phe A 251 1w7cA_251F_231}-7.859 -0.234 -5.817 { ca lys A 252 1w7cA_251F_231}-6.106 1.691 -8.571 { ca phe A 253 1w7cA_251F_231}-6.388 1.247 -12.323 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca asp A 229 1w7cA_251F_231}P -8.094 6.366 -11.061 { ca tyr A 230 1w7cA_251F_231}P -8.624 4.997 -7.573 { ca thr A 232 1w7cA_251F_231}P -13.367 1.522 -3.338 { ca cys A 233 1w7cA_251F_231}P -16.27 -0.7 -2.385 { ca phe A 249 1w7cA_251F_231}P -10.98 -2.067 0.29 { ca phe A 250 1w7cA_251F_231}P -9.286 0.113 -2.342 { ca phe A 251 1w7cA_251F_231}P -7.859 -0.234 -5.817 { cb phe A 251 1w7cA_251F_231}-8.688 -1.269 -6.609 { cg phe A 251 1w7cA_251F_231}-10.106 -0.863 -6.83 { cd1 phe A 251 1w7cA_251F_231}-10.466 -0.099 -7.932 { ce1 phe A 251 1w7cA_251F_231}-11.792 0.301 -8.119 { cz phe A 251 1w7cA_251F_231}-12.767 -0.108 -7.222 { cg phe A 251 1w7cA_251F_231}P -10.106 -0.863 -6.83 { cd2 phe A 251 1w7cA_251F_231}-11.1 -1.265 -5.949 { ce2 phe A 251 1w7cA_251F_231}-12.408 -0.875 -6.126 { cz phe A 251 1w7cA_251F_231}ghost -12.767 -0.108 -7.222 { ca lys A 252 1w7cA_251F_231}P -6.106 1.691 -8.571 { ca phe A 253 1w7cA_251F_231}P -6.388 1.247 -12.323 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 251 1w7cA_251F_231}P -8.688 -1.269 -6.609 {"}P -8.688 -1.269 -6.609 { cd1 phe A 251 1w7cA_251F_231}P -10.466 -0.099 -7.932 { cd2 phe A 251 1w7cA_251F_231}P -11.1 -1.265 -5.949 { ce1 phe A 251 1w7cA_251F_231}P -11.792 0.301 -8.119 { ce2 phe A 251 1w7cA_251F_231}P -12.408 -0.875 -6.126 { cz phe A 251 1w7cA_251F_231}P -12.767 -0.108 -7.222 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 251 1w7cA_251F_231}P -7.859 -0.234 -5.817 { cb phe A 251 1w7cA_251F_231}-8.688 -1.269 -6.609 { cg phe A 251 1w7cA_251F_231}-10.106 -0.863 -6.83 { cd1 phe A 251 1w7cA_251F_231}-10.466 -0.099 -7.932 { ce1 phe A 251 1w7cA_251F_231}-11.792 0.301 -8.119 { cz phe A 251 1w7cA_251F_231}-12.767 -0.108 -7.222 { cg phe A 251 1w7cA_251F_231}P -10.106 -0.863 -6.83 { cd2 phe A 251 1w7cA_251F_231}-11.1 -1.265 -5.949 { ce2 phe A 251 1w7cA_251F_231}-12.408 -0.875 -6.126 { cz phe A 251 1w7cA_251F_231}ghost -12.767 -0.108 -7.222 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 251 1w7cA_251F_231}P -8.688 -1.269 -6.609 {"}P -8.688 -1.269 -6.609 { cd1 phe A 251 1w7cA_251F_231}P -10.466 -0.099 -7.932 { cd2 phe A 251 1w7cA_251F_231}P -11.1 -1.265 -5.949 { ce1 phe A 251 1w7cA_251F_231}P -11.792 0.301 -8.119 { ce2 phe A 251 1w7cA_251F_231}P -12.408 -0.875 -6.126 { cz phe A 251 1w7cA_251F_231}P -12.767 -0.108 -7.222 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CZ PHE 251 A}'P' sky -12.971 1.601 -7.537 {"}'P' sky -12.775 1.492 -6.512 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 251 A}'P' green -12.437 1.915 -7.918 {"}'P' green -11.412 1.997 -7.914 {"}'P' green -11.296 1.823 -7.413 {"}'P' green -11.477 1.584 -6.971 {"}'P' green -11.985 1.419 -6.786 { CZ PHE 251 A}'P' green -12.897 1.636 -7.277 {"}'P' green -12.637 1.636 -7.277 {"}'P' green -12.906 1.624 -7.015 {"}'P' sea -12.963 1.568 -6.759 {"}'P' green -12.702 1.578 -6.759 {"}'P' green -12.442 1.548 -6.76 {"}'P' green -12.19 1.479 -6.763 {"}'P' sea -12.52 1.473 -6.513 {"}'P' sea -12.271 1.414 -6.516 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 PHE 251 A}'P' P -12.188 1.993 -7.914 {"}'P' -12.179 1.952 -7.919 {"}'P' P -11.931 2.033 -7.912 {"}'P' -11.927 1.982 -7.919 {"}'P' P -11.67 2.034 -7.912 {"}'P' -11.671 2.016 -7.915 {"}'P' P -12.49 1.839 -7.662 {"}'P' -12.473 1.803 -7.673 {"}'P' P -12.244 1.928 -7.658 {"}'P' -12.216 1.826 -7.687 {"}'P' P -11.988 1.977 -7.656 {"}'P' -11.973 1.85 -7.691 {"}'P' P -11.727 1.987 -7.656 {"}'P' -11.731 1.887 -7.683 {"}'P' P -11.467 1.957 -7.657 {"}'P' -11.473 1.926 -7.666 {"}'P' P -12.539 1.719 -7.417 {"}'P' -12.522 1.688 -7.433 {"}'P' P -12.303 1.818 -7.413 {"}'P' -12.268 1.713 -7.462 {"}'P' P -12.055 1.879 -7.41 {"}'P' -12.03 1.733 -7.476 {"}'P' P -11.8 1.901 -7.409 {"}'P' -11.799 1.765 -7.469 {"}'P' P -11.545 1.882 -7.41 {"}'P' -11.557 1.806 -7.444 {"}'P' P -12.236 1.711 -7.182 {"}'P' -12.208 1.624 -7.239 {"}'P' P -11.985 1.765 -7.179 {"}'P' -11.969 1.65 -7.253 {"}'P' P -11.728 1.776 -7.179 {"}'P' -11.732 1.682 -7.238 {"}'P' P -11.473 1.743 -7.18 {"}'P' -11.479 1.714 -7.199 {"}'P' P -11.995 1.605 -6.97 {"}'P' -11.988 1.559 -7.01 {"}'P' P -11.735 1.619 -6.969 {"}'P' -11.737 1.588 -6.996 { CZ PHE 251 A}'P' P -12.645 1.625 -7.015 {"}'P' -12.645 1.622 -7.016 {"}'P' P -12.387 1.588 -7.017 {"}'P' -12.394 1.554 -7.021 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 231 A}'P' green -11.722 2.054 -7.995 {"}'P' green -12.792 1.76 -7.353 {"}'P' green -12.744 1.678 -7.096 {"}'P' sea -12.936 1.841 -7.089 {"}'P' green -11.825 1.524 -6.842 {"}'P' green -12.079 1.494 -6.844 {"}'P' green -12.575 1.603 -6.839 {"}'P' green -12.792 1.738 -6.833 {"}'P' sea -11.96 1.577 -6.592 {"}'P' green -12.214 1.577 -6.592 {"}'P' green -12.461 1.638 -6.59 {"}'P' sea -12.686 1.756 -6.585 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 231 A}'P' P -11.96 1.967 -7.999 {"}'P' -11.964 1.988 -7.971 {"}'P' P -12.214 1.967 -7.999 {"}'P' -12.212 1.975 -7.988 {"}'P' P -11.482 1.992 -7.813 {"}'P' -11.483 1.993 -7.811 {"}'P' P -11.699 1.849 -7.819 {"}'P' -11.728 1.907 -7.763 {"}'P' P -11.949 1.773 -7.822 {"}'P' -11.963 1.863 -7.744 {"}'P' P -12.209 1.771 -7.822 {"}'P' -12.199 1.843 -7.759 {"}'P' P -12.459 1.842 -7.819 {"}'P' -12.452 1.857 -7.805 {"}'P' P -11.488 1.8 -7.599 {"}'P' -11.523 1.849 -7.568 {"}'P' P -11.713 1.682 -7.604 {"}'P' -11.757 1.795 -7.54 {"}'P' P -11.96 1.622 -7.607 {"}'P' -11.978 1.763 -7.53 {"}'P' P -12.214 1.622 -7.607 {"}'P' -12.199 1.741 -7.543 {"}'P' P -12.461 1.682 -7.604 {"}'P' -12.44 1.736 -7.573 {"}'P' P -11.369 1.77 -7.353 {"}'P' -11.382 1.785 -7.348 {"}'P' P -11.585 1.633 -7.359 {"}'P' -11.628 1.721 -7.332 {"}'P' P -11.825 1.547 -7.363 {"}'P' -11.858 1.684 -7.324 {"}'P' P -12.079 1.517 -7.364 {"}'P' -12.08 1.657 -7.325 {"}'P' P -12.333 1.544 -7.363 {"}'P' -12.312 1.637 -7.337 {"}'P' P -12.575 1.626 -7.359 {"}'P' -12.568 1.641 -7.355 {"}'P' P -11.539 1.612 -7.099 {"}'P' -11.555 1.643 -7.098 {"}'P' P -11.774 1.519 -7.103 {"}'P' -11.796 1.598 -7.1 {"}'P' P -12.024 1.478 -7.105 {"}'P' -12.029 1.567 -7.101 {"}'P' P -12.276 1.492 -7.104 {"}'P' -12.267 1.547 -7.102 {"}'P' P -12.52 1.559 -7.101 {"}'P' -12.509 1.587 -7.1 {"}'P' P -12.333 1.521 -6.842 {"}'P' -12.331 1.531 -6.844 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 251 A}'M' green -8.821 3.186 -6.573 {"}'M' green -9.321 2.18 -6.104 {"}'M' green -8.654 3.217 -6.058 {"}'M' green -9.031 2.414 -5.632 {"}'M' green -8.914 2.646 -5.622 {"}'M' green -8.748 2.844 -5.614 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 251 A}'M' greentint -9.281 2.578 -6.599 {"}'M' greentint -9.166 2.808 -6.589 {"}'M' greentint -9.011 3.013 -6.58 {"}'M' greentint -9.353 2.311 -6.352 {"}'M' greentint -9.284 2.559 -6.341 {"}'M' greentint -9.171 2.79 -6.331 {"}'M' greentint -9.017 2.996 -6.322 {"}'M' greentint -8.828 3.17 -6.315 {"}'M' greentint -9.273 2.431 -6.093 {"}'M' greentint -9.178 2.669 -6.082 {"}'M' greentint -9.039 2.884 -6.073 {"}'M' greentint -8.863 3.069 -6.065 {"}'M' greentint -9.179 2.409 -5.853 {"}'M' greentint -9.081 2.642 -5.842 {"}'M' greentint -8.937 2.851 -5.833 {"}'M' greentint -8.754 3.027 -5.826 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 231 A}'M' green -9.34 2.418 -6.552 {"}'M' green -8.798 3.229 -6.516 {"}'M' green -9.414 2.278 -6.316 {"}'M' green -9.347 2.251 -6.058 {"}'M' green -8.664 3.207 -6.017 {"}'M' green -9.181 2.352 -5.795 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 231 A}'M' greentint -9.005 2.975 -6.735 {"}'M' greentint -9.141 2.754 -6.744 {"}'M' greentint -8.834 2.974 -6.527 {"}'M' greentint -8.944 2.74 -6.538 {"}'M' greentint -9.118 2.55 -6.546 {"}'M' greentint -8.731 2.961 -6.286 {"}'M' greentint -8.827 2.728 -6.297 {"}'M' greentint -8.981 2.528 -6.305 {"}'M' greentint -9.181 2.375 -6.312 {"}'M' greentint -8.698 3.21 -6.276 {"}'M' greentint -8.693 2.958 -6.028 {"}'M' greentint -8.784 2.725 -6.038 {"}'M' greentint -8.93 2.521 -6.047 {"}'M' greentint -9.121 2.36 -6.054 {"}'M' greentint -8.731 2.938 -5.769 {"}'M' greentint -8.827 2.705 -5.779 {"}'M' greentint -8.981 2.505 -5.788 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 251 A}'M' green -9.958 1.323 -4.976 {"}'M' green -9.508 1.909 -4.95 {"}'M' green -9.458 1.963 -4.689 {"}'M' green -9.991 1.051 -4.469 {"}'M' green -9.883 1.161 -4.223 {"}'M' green -9.465 1.785 -4.196 {"}'M' sea -9.72 1.161 -4.016 {"}'M' green -9.626 1.403 -4.005 {"}'M' green -9.451 1.595 -3.997 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 251 A}'M' greentint -9.862 1.556 -4.966 {"}'M' greentint -9.708 1.756 -4.957 {"}'M' greentint -10.018 1.179 -4.723 {"}'M' greentint -9.958 1.422 -4.712 {"}'M' greentint -9.839 1.643 -4.703 {"}'M' greentint -9.669 1.827 -4.695 {"}'M' greentint -9.958 1.3 -4.459 {"}'M' greentint -9.862 1.533 -4.448 {"}'M' greentint -9.708 1.733 -4.44 {"}'M' greentint -9.508 1.886 -4.433 {"}'M' greentint -9.809 1.408 -4.212 {"}'M' greentint -9.665 1.623 -4.203 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 231 A}'M' green -9.829 1.752 -5.145 {"}'M' green -9.97 1.535 -5.155 {"}'M' green -9.603 1.984 -4.915 {"}'M' green -9.968 1.329 -4.944 {"}'M' sea -10.168 1.174 -4.951 {"}'M' green -9.507 1.979 -4.675 {"}'M' green -10.043 1.135 -4.711 {"}'M' green -9.461 1.959 -4.421 {"}'M' green -9.991 1.103 -4.459 {"}'M' green -9.459 1.956 -4.163 {"}'M' green -9.984 1.097 -4.2 {"}'M' sea -9.581 1.692 -3.92 {"}'M' green -9.698 1.465 -3.93 {"}'M' sea -9.856 1.264 -3.939 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 231 A}'M' greentint -9.679 1.742 -4.926 {"}'M' greentint -9.802 1.521 -4.936 {"}'M' greentint -9.578 1.733 -4.685 {"}'M' greentint -9.694 1.505 -4.695 {"}'M' greentint -9.851 1.303 -4.704 {"}'M' greentint -9.531 1.712 -4.432 {"}'M' greentint -9.646 1.481 -4.442 {"}'M' greentint -9.801 1.276 -4.451 {"}'M' greentint -9.528 1.708 -4.174 {"}'M' greentint -9.641 1.477 -4.184 {"}'M' greentint -9.795 1.271 -4.193 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n arg A 423 1wkyA_425Y_467}P -12.165 -2.604 0.07 {"}-12.165 -2.604 0.07 { ca arg A 423 1wkyA_425Y_467}-10.767 -2.46 -0.288 { c arg A 423 1wkyA_425Y_467}-10.601 -1.333 -1.293 { o arg A 423 1wkyA_425Y_467}-11.477 -1.082 -2.124 { c arg A 423 1wkyA_425Y_467}P -10.601 -1.333 -1.293 { n leu A 424 1wkyA_425Y_467}-9.47 -0.648 -1.186 { ca leu A 424 1wkyA_425Y_467}-9.129 0.465 -2.06 { c leu A 424 1wkyA_425Y_467}-8.398 -0.113 -3.264 { o leu A 424 1wkyA_425Y_467}-7.608 -1.043 -3.121 { c leu A 424 1wkyA_425Y_467}P -8.398 -0.113 -3.264 { n tyr A 425 1wkyA_425Y_467}-8.663 0.426 -4.45 { ca tyr A 425 1wkyA_425Y_467}-8 -0.071 -5.65 { c tyr A 425 1wkyA_425Y_467}-7.674 1.046 -6.628 { o tyr A 425 1wkyA_425Y_467}-8.222 2.148 -6.543 { c tyr A 425 1wkyA_425Y_467}P -7.674 1.046 -6.628 { n val A 426 1wkyA_425Y_467}-6.767 0.748 -7.551 { ca val A 426 1wkyA_425Y_467}-6.391 1.677 -8.607 { c val A 426 1wkyA_425Y_467}-6.2 0.833 -9.861 { o val A 426 1wkyA_425Y_467}-5.983 -0.376 -9.771 { c val A 426 1wkyA_425Y_467}P -6.2 0.833 -9.861 { n lys A 427 1wkyA_425Y_467}-6.311 1.468 -11.022 { ca lys A 427 1wkyA_425Y_467}-6.105 0.792 -12.3 { c lys A 427 1wkyA_425Y_467}-5.091 1.636 -13.056 { o lys A 427 1wkyA_425Y_467}-5.208 2.86 -13.086 { n glu A 465 1wkyA_425Y_467}P -8.031 5.049 -12.876 {"}-8.031 5.049 -12.876 { ca glu A 465 1wkyA_425Y_467}-9.168 5.023 -11.964 { c glu A 465 1wkyA_425Y_467}-8.725 4.76 -10.528 { o glu A 465 1wkyA_425Y_467}-7.758 4.041 -10.292 { c glu A 465 1wkyA_425Y_467}P -8.725 4.76 -10.528 { n ile A 466 1wkyA_425Y_467}-9.438 5.358 -9.58 { ca ile A 466 1wkyA_425Y_467}-9.179 5.16 -8.156 { c ile A 466 1wkyA_425Y_467}-10.543 4.908 -7.528 { o ile A 466 1wkyA_425Y_467}-11.491 5.647 -7.789 { c ile A 466 1wkyA_425Y_467}P -10.543 4.908 -7.528 { n gly A 467 1wkyA_425Y_467}-10.659 3.874 -6.707 { ca gly A 467 1wkyA_425Y_467}-11.948 3.627 -6.091 { c gly A 467 1wkyA_425Y_467}-11.933 2.681 -4.912 { o gly A 467 1wkyA_425Y_467}-10.884 2.222 -4.468 { c gly A 467 1wkyA_425Y_467}P -11.933 2.681 -4.912 { n val A 468 1wkyA_425Y_467}-13.12 2.406 -4.393 { ca val A 468 1wkyA_425Y_467}-13.273 1.485 -3.284 { c val A 468 1wkyA_425Y_467}-14.329 0.471 -3.682 { o val A 468 1wkyA_425Y_467}-15.397 0.835 -4.188 { c val A 468 1wkyA_425Y_467}P -14.329 0.471 -3.682 { n gln A 469 1wkyA_425Y_467}-14.016 -0.801 -3.471 { ca gln A 469 1wkyA_425Y_467}-14.941 -1.88 -3.78 { c gln A 469 1wkyA_425Y_467}-15.524 -2.352 -2.452 { o gln A 469 1wkyA_425Y_467}-14.788 -2.815 -1.576 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n arg A 423 1wkyA_425Y_467}P -12.165 -2.604 0.07 { ca arg A 423 1wkyA_425Y_467}P -10.767 -2.46 -0.288 { n leu A 424 1wkyA_425Y_467}P -9.47 -0.648 -1.186 { ca leu A 424 1wkyA_425Y_467}P -9.129 0.465 -2.06 { n tyr A 425 1wkyA_425Y_467}P -8.663 0.426 -4.45 { ca tyr A 425 1wkyA_425Y_467}P -8 -0.071 -5.65 { n val A 426 1wkyA_425Y_467}P -6.767 0.748 -7.551 { ca val A 426 1wkyA_425Y_467}P -6.391 1.677 -8.607 { n lys A 427 1wkyA_425Y_467}P -6.311 1.468 -11.022 { ca lys A 427 1wkyA_425Y_467}P -6.105 0.792 -12.3 { n glu A 465 1wkyA_425Y_467}P -8.031 5.049 -12.876 { ca glu A 465 1wkyA_425Y_467}P -9.168 5.023 -11.964 { n ile A 466 1wkyA_425Y_467}P -9.438 5.358 -9.58 { ca ile A 466 1wkyA_425Y_467}P -9.179 5.16 -8.156 { n gly A 467 1wkyA_425Y_467}P -10.659 3.874 -6.707 { ca gly A 467 1wkyA_425Y_467}P -11.948 3.627 -6.091 {"}P -11.948 3.627 -6.091 { n val A 468 1wkyA_425Y_467}P -13.12 2.406 -4.393 { ca val A 468 1wkyA_425Y_467}P -13.273 1.485 -3.284 { n gln A 469 1wkyA_425Y_467}P -14.016 -0.801 -3.471 { ca gln A 469 1wkyA_425Y_467}P -14.941 -1.88 -3.78 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca arg A 423 1wkyA_425Y_467}P -10.767 -2.46 -0.288 {"}-10.767 -2.46 -0.288 { ca leu A 424 1wkyA_425Y_467}-9.129 0.465 -2.06 { ca tyr A 425 1wkyA_425Y_467}-8 -0.071 -5.65 { ca val A 426 1wkyA_425Y_467}-6.391 1.677 -8.607 { ca lys A 427 1wkyA_425Y_467}-6.105 0.792 -12.3 { ca glu A 465 1wkyA_425Y_467}P -9.168 5.023 -11.964 {"}-9.168 5.023 -11.964 { ca ile A 466 1wkyA_425Y_467}-9.179 5.16 -8.156 { ca gly A 467 1wkyA_425Y_467}-11.948 3.627 -6.091 { ca val A 468 1wkyA_425Y_467}-13.273 1.485 -3.284 { ca gln A 469 1wkyA_425Y_467}-14.941 -1.88 -3.78 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca arg A 423 1wkyA_425Y_467}P -10.767 -2.46 -0.288 { ca leu A 424 1wkyA_425Y_467}P -9.129 0.465 -2.06 { ca tyr A 425 1wkyA_425Y_467}P -8 -0.071 -5.65 { cb tyr A 425 1wkyA_425Y_467}-8.889 -1.107 -6.354 { cg tyr A 425 1wkyA_425Y_467}-10.09 -0.51 -7.07 { cd1 tyr A 425 1wkyA_425Y_467}-9.962 0.041 -8.347 { ce1 tyr A 425 1wkyA_425Y_467}-11.051 0.628 -8.993 { cz tyr A 425 1wkyA_425Y_467}-12.282 0.667 -8.359 { oh tyr A 425 1wkyA_425Y_467}-13.354 1.255 -8.993 { cg tyr A 425 1wkyA_425Y_467}P -10.09 -0.51 -7.07 { cd2 tyr A 425 1wkyA_425Y_467}-11.339 -0.464 -6.455 { ce2 tyr A 425 1wkyA_425Y_467}-12.437 0.124 -7.091 { cz tyr A 425 1wkyA_425Y_467}ghost -12.282 0.667 -8.359 { ca val A 426 1wkyA_425Y_467}P -6.391 1.677 -8.607 { ca lys A 427 1wkyA_425Y_467}P -6.105 0.792 -12.3 { ca glu A 465 1wkyA_425Y_467}P -9.168 5.023 -11.964 { ca ile A 466 1wkyA_425Y_467}P -9.179 5.16 -8.156 { ca val A 468 1wkyA_425Y_467}P -13.273 1.485 -3.284 { ca gln A 469 1wkyA_425Y_467}P -14.941 -1.88 -3.78 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 425 1wkyA_425Y_467}P -8.889 -1.107 -6.354 {"}P -8.889 -1.107 -6.354 { cd1 tyr A 425 1wkyA_425Y_467}P -9.962 0.041 -8.347 { cd2 tyr A 425 1wkyA_425Y_467}P -11.339 -0.464 -6.455 { ce1 tyr A 425 1wkyA_425Y_467}P -11.051 0.628 -8.993 { ce2 tyr A 425 1wkyA_425Y_467}P -12.437 0.124 -7.091 { oh tyr A 425 1wkyA_425Y_467}P -13.354 1.255 -8.993 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 425 1wkyA_425Y_467}P -8 -0.071 -5.65 { cb tyr A 425 1wkyA_425Y_467}-8.889 -1.107 -6.354 { cg tyr A 425 1wkyA_425Y_467}-10.09 -0.51 -7.07 { cd1 tyr A 425 1wkyA_425Y_467}-9.962 0.041 -8.347 { ce1 tyr A 425 1wkyA_425Y_467}-11.051 0.628 -8.993 { cz tyr A 425 1wkyA_425Y_467}-12.282 0.667 -8.359 { oh tyr A 425 1wkyA_425Y_467}-13.354 1.255 -8.993 { cg tyr A 425 1wkyA_425Y_467}P -10.09 -0.51 -7.07 { cd2 tyr A 425 1wkyA_425Y_467}-11.339 -0.464 -6.455 { ce2 tyr A 425 1wkyA_425Y_467}-12.437 0.124 -7.091 { cz tyr A 425 1wkyA_425Y_467}ghost -12.282 0.667 -8.359 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 425 1wkyA_425Y_467}P -8.889 -1.107 -6.354 {"}P -8.889 -1.107 -6.354 { cd1 tyr A 425 1wkyA_425Y_467}P -9.962 0.041 -8.347 { cd2 tyr A 425 1wkyA_425Y_467}P -11.339 -0.464 -6.455 { ce1 tyr A 425 1wkyA_425Y_467}P -11.051 0.628 -8.993 { ce2 tyr A 425 1wkyA_425Y_467}P -12.437 0.124 -7.091 { oh tyr A 425 1wkyA_425Y_467}P -13.354 1.255 -8.993 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 425 A}'P' blue -13.075 1.753 -7.151 {"}'P' sky -12.825 1.829 -7.147 {"}'P' blue -13.082 1.738 -6.89 {"}'P' sky -12.833 1.816 -6.886 {"}'P' sky -12.889 1.751 -6.63 {"}'P' sky -12.633 1.8 -6.628 { CZ TYR 425 A}'P' blue -12.678 2.359 -8.154 {"}'P' blue -12.421 2.399 -8.152 {"}'P' sky -12.98 2.205 -7.902 {"}'P' blue -11.957 2.323 -7.897 {"}'P' sky -13.029 2.085 -7.657 {"}'P' sky -12.973 1.799 -7.217 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 425 A}'P' sea -12.576 1.856 -6.884 { CZ TYR 425 A}'P' sea -12.734 2.294 -7.898 {"}'P' sea -12.478 2.343 -7.896 {"}'P' sea -12.217 2.353 -7.896 {"}'P' green -12.793 2.184 -7.653 {"}'P' green -12.545 2.245 -7.65 {"}'P' green -12.29 2.267 -7.649 {"}'P' sea -12.035 2.248 -7.65 {"}'P' sea -12.964 1.981 -7.426 {"}'P' green -12.726 2.077 -7.422 {"}'P' green -12.475 2.131 -7.419 {"}'P' green -12.218 2.142 -7.419 {"}'P' sea -11.963 2.109 -7.42 {"}'P' sea -12.737 1.908 -7.213 {"}'P' green -12.485 1.971 -7.21 {"}'P' sea -12.225 1.985 -7.209 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 425 A}'P' blue -13.16 2.317 -8.102 {"}'P' blue -13.17 2.134 -7.919 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 467 A}'P' sky -12.264 2.631 -7.795 {"}'P' sky -12.756 2.544 -7.799 {"}'P' blue -12.994 2.631 -7.795 {"}'P' sky -12.024 2.569 -7.613 {"}'P' sky -13.001 2.419 -7.619 {"}'P' blue -13.117 2.203 -7.159 {"}'P' blue -13.062 2.136 -6.901 {"}'P' sky -12.621 2.071 -6.644 {"}'P' sky -12.875 2.098 -6.642 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 467 A}'P' sea -12.502 2.544 -7.799 {"}'P' sea -12.241 2.426 -7.619 {"}'P' green -12.491 2.35 -7.622 {"}'P' green -12.751 2.348 -7.622 {"}'P' sea -12.03 2.377 -7.399 {"}'P' green -12.255 2.259 -7.404 {"}'P' green -12.502 2.199 -7.407 {"}'P' green -12.756 2.199 -7.407 {"}'P' sea -13.003 2.259 -7.404 {"}'P' sea -12.127 2.21 -7.159 {"}'P' green -12.367 2.124 -7.163 {"}'P' green -12.621 2.094 -7.164 {"}'P' sea -12.875 2.121 -7.163 {"}'P' sea -12.316 2.096 -6.903 {"}'P' sea -12.566 2.055 -6.905 {"}'P' sea -12.818 2.069 -6.904 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 425 A}'M' green -9.318 2.783 -7.14 {"}'M' green -9.173 2.991 -7.131 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 425 A}'M' greentint -9.516 2.536 -6.91 {"}'M' greentint -9.423 2.774 -6.899 {"}'M' greentint -9.285 2.99 -6.89 {"}'M' greentint -9.11 3.176 -6.882 {"}'M' greentint -9.592 2.41 -6.661 {"}'M' greentint -9.522 2.657 -6.65 {"}'M' greentint -9.407 2.887 -6.64 {"}'M' greentint -9.252 3.092 -6.631 {"}'M' greentint -9.062 3.265 -6.624 {"}'M' greentint -9.594 2.39 -6.403 {"}'M' greentint -9.525 2.638 -6.392 {"}'M' greentint -9.412 2.869 -6.382 {"}'M' greentint -9.258 3.075 -6.373 {"}'M' greentint -9.069 3.249 -6.366 {"}'M' greentint -9.514 2.51 -6.144 {"}'M' greentint -9.419 2.748 -6.133 {"}'M' greentint -9.28 2.963 -6.124 {"}'M' greentint -9.104 3.148 -6.116 {"}'M' greentint -9.322 2.721 -5.893 {"}'M' greentint -9.178 2.93 -5.884 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 467 A}'M' greentint -9.098 3.01 -6.976 {"}'M' greentint -9.208 2.776 -6.987 {"}'M' greentint -9.382 2.586 -6.995 {"}'M' greentint -8.995 2.997 -6.735 {"}'M' greentint -9.091 2.764 -6.746 {"}'M' greentint -9.245 2.564 -6.754 {"}'M' greentint -9.445 2.411 -6.761 {"}'M' greentint -8.962 3.246 -6.725 {"}'M' greentint -8.957 2.994 -6.477 {"}'M' greentint -9.048 2.761 -6.487 {"}'M' greentint -9.194 2.557 -6.496 {"}'M' greentint -9.385 2.396 -6.503 {"}'M' greentint -9.611 2.287 -6.507 {"}'M' greentint -8.928 3.243 -6.466 {"}'M' greentint -8.995 2.974 -6.218 {"}'M' greentint -9.091 2.741 -6.228 {"}'M' greentint -9.245 2.541 -6.237 {"}'M' greentint -9.445 2.388 -6.244 {"}'M' greentint -8.962 3.224 -6.207 {"}'M' greentint -9.098 2.966 -5.977 {"}'M' greentint -9.208 2.733 -5.987 {"}'M' greentint -9.382 2.542 -5.996 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 425 A}'M' greentint -10.163 1.319 -5.095 {"}'M' greentint -10.089 1.566 -5.084 {"}'M' greentint -9.945 1.78 -5.075 {"}'M' greentint -9.745 1.943 -5.068 {"}'M' greentint -10.271 1.187 -4.86 {"}'M' greentint -10.238 1.437 -4.849 {"}'M' greentint -10.142 1.67 -4.839 {"}'M' greentint -9.988 1.87 -4.83 {"}'M' greentint -9.788 2.023 -4.823 {"}'M' greentint -9.555 2.119 -4.819 {"}'M' greentint -10.296 1.043 -4.607 {"}'M' greentint -10.298 1.293 -4.596 {"}'M' greentint -10.238 1.536 -4.585 {"}'M' greentint -10.119 1.757 -4.576 {"}'M' greentint -9.949 1.941 -4.568 {"}'M' greentint -9.738 2.077 -4.562 {"}'M' greentint -9.5 2.156 -4.558 {"}'M' greentint -10.271 1.165 -4.342 {"}'M' greentint -10.238 1.414 -4.332 {"}'M' greentint -10.142 1.647 -4.321 {"}'M' greentint -9.988 1.847 -4.313 {"}'M' greentint -9.788 2 -4.306 {"}'M' greentint -9.555 2.097 -4.302 {"}'M' greentint -10.163 1.275 -4.096 {"}'M' greentint -10.089 1.522 -4.085 {"}'M' greentint -9.945 1.737 -4.076 {"}'M' greentint -9.745 1.899 -4.069 {"}'M' greentint -9.906 1.517 -3.878 {"}'M' greentint -9.731 1.709 -3.87 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 467 A}'M' greentint -9.732 1.755 -5.113 {"}'M' greentint -9.855 1.534 -5.123 {"}'M' greentint -10.021 1.342 -5.131 {"}'M' greentint -9.56 1.992 -4.862 {"}'M' greentint -9.631 1.746 -4.872 {"}'M' greentint -9.747 1.518 -4.882 {"}'M' greentint -9.904 1.316 -4.891 {"}'M' greentint -10.096 1.148 -4.898 {"}'M' greentint -9.514 1.972 -4.608 {"}'M' greentint -9.584 1.725 -4.619 {"}'M' greentint -9.699 1.494 -4.629 {"}'M' greentint -9.854 1.289 -4.638 {"}'M' greentint -10.044 1.116 -4.646 {"}'M' greentint -10.263 0.981 -4.651 {"}'M' greentint -9.512 1.969 -4.35 {"}'M' greentint -9.581 1.721 -4.361 {"}'M' greentint -9.694 1.49 -4.371 {"}'M' greentint -9.848 1.284 -4.38 {"}'M' greentint -10.037 1.11 -4.387 {"}'M' greentint -10.255 0.973 -4.393 {"}'M' greentint -9.562 1.951 -4.096 {"}'M' greentint -9.634 1.705 -4.107 {"}'M' greentint -9.751 1.478 -4.117 {"}'M' greentint -9.909 1.277 -4.126 {"}'M' greentint -10.103 1.109 -4.133 {"}'M' greentint -9.851 1.486 -3.875 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n leu A 97 1wl7A_99Y_112G}P -12.116 -1.636 0.734 {"}-12.116 -1.636 0.734 { ca leu A 97 1wl7A_99Y_112G}-11.033 -2.085 -0.128 { c leu A 97 1wl7A_99Y_112G}-10.766 -1.062 -1.223 { o leu A 97 1wl7A_99Y_112G}-11.614 -0.819 -2.084 { c leu A 97 1wl7A_99Y_112G}P -10.766 -1.062 -1.223 { n tyr A 98 1wl7A_99Y_112G}-9.59 -0.453 -1.184 { ca tyr A 98 1wl7A_99Y_112G}-9.215 0.523 -2.196 { c tyr A 98 1wl7A_99Y_112G}-8.349 -0.187 -3.226 { o tyr A 98 1wl7A_99Y_112G}-7.626 -1.125 -2.891 { c tyr A 98 1wl7A_99Y_112G}P -8.349 -0.187 -3.226 { n tyr A 99 1wl7A_99Y_112G}-8.429 0.255 -4.478 { ca tyr A 99 1wl7A_99Y_112G}-7.649 -0.353 -5.551 { c tyr A 99 1wl7A_99Y_112G}-7.297 0.677 -6.623 { o tyr A 99 1wl7A_99Y_112G}-7.945 1.72 -6.729 { c tyr A 99 1wl7A_99Y_112G}P -7.297 0.677 -6.623 { n ser A 100 1wl7A_99Y_112G}-6.279 0.368 -7.423 { ca ser A 100 1wl7A_99Y_112G}-5.811 1.28 -8.463 { c ser A 100 1wl7A_99Y_112G}-6.169 0.863 -9.886 { o ser A 100 1wl7A_99Y_112G}-6.025 -0.305 -10.259 { c ser A 100 1wl7A_99Y_112G}P -6.169 0.863 -9.886 { n val A 101 1wl7A_99Y_112G}-6.635 1.83 -10.669 { ca val A 101 1wl7A_99Y_112G}-6.973 1.608 -12.071 { c val A 101 1wl7A_99Y_112G}-6.015 2.522 -12.829 { o val A 101 1wl7A_99Y_112G}-6.068 3.744 -12.683 { n val A 110 1wl7A_99Y_112G}P -7.018 6.257 -11.494 {"}-7.018 6.257 -11.494 { ca val A 110 1wl7A_99Y_112G}-8.055 6.535 -10.518 { c val A 110 1wl7A_99Y_112G}-8.074 5.431 -9.467 { o val A 110 1wl7A_99Y_112G}-7.863 4.257 -9.781 { c val A 110 1wl7A_99Y_112G}P -8.074 5.431 -9.467 { n ile A 111 1wl7A_99Y_112G}-8.29 5.821 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-1.11 -6.745 { cd1 tyr A 99 1wl7A_99Y_112G}-10.906 -1.071 -5.941 { ce1 tyr A 99 1wl7A_99Y_112G}-12.142 -0.697 -6.462 { cz tyr A 99 1wl7A_99Y_112G}-12.242 -0.355 -7.803 { oh tyr A 99 1wl7A_99Y_112G}-13.451 0.026 -8.322 { cg tyr A 99 1wl7A_99Y_112G}P -9.766 -1.11 -6.745 { cd2 tyr A 99 1wl7A_99Y_112G}-9.895 -0.762 -8.09 { ce2 tyr A 99 1wl7A_99Y_112G}-11.128 -0.384 -8.62 { cz tyr A 99 1wl7A_99Y_112G}ghost -12.242 -0.355 -7.803 { ca ser A 100 1wl7A_99Y_112G}P -5.811 1.28 -8.463 { ca val A 101 1wl7A_99Y_112G}P -6.973 1.608 -12.071 { ca val A 110 1wl7A_99Y_112G}P -8.055 6.535 -10.518 { ca ile A 111 1wl7A_99Y_112G}P -8.372 4.865 -7.118 { ca leu A 113 1wl7A_99Y_112G}P -13.443 1.77 -3.504 { ca ala A 114 1wl7A_99Y_112G}P -15.383 -1.429 -2.837 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 99 1wl7A_99Y_112G}P -8.426 -1.512 -6.177 {"}P -8.426 -1.512 -6.177 { cd1 tyr A 99 1wl7A_99Y_112G}P -10.906 -1.071 -5.941 { cd2 tyr A 99 1wl7A_99Y_112G}P -9.895 -0.762 -8.09 { ce1 tyr A 99 1wl7A_99Y_112G}P -12.142 -0.697 -6.462 { ce2 tyr A 99 1wl7A_99Y_112G}P -11.128 -0.384 -8.62 { oh tyr A 99 1wl7A_99Y_112G}P -13.451 0.026 -8.322 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 99 1wl7A_99Y_112G}P -7.649 -0.353 -5.551 { cb tyr A 99 1wl7A_99Y_112G}-8.426 -1.512 -6.177 { cg tyr A 99 1wl7A_99Y_112G}-9.766 -1.11 -6.745 { cd1 tyr A 99 1wl7A_99Y_112G}-10.906 -1.071 -5.941 { ce1 tyr A 99 1wl7A_99Y_112G}-12.142 -0.697 -6.462 { cz tyr A 99 1wl7A_99Y_112G}-12.242 -0.355 -7.803 { oh tyr A 99 1wl7A_99Y_112G}-13.451 0.026 -8.322 { cg tyr A 99 1wl7A_99Y_112G}P -9.766 -1.11 -6.745 { cd2 tyr A 99 1wl7A_99Y_112G}-9.895 -0.762 -8.09 { ce2 tyr A 99 1wl7A_99Y_112G}-11.128 -0.384 -8.62 { cz tyr A 99 1wl7A_99Y_112G}ghost -12.242 -0.355 -7.803 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 99 1wl7A_99Y_112G}P -8.426 -1.512 -6.177 {"}P -8.426 -1.512 -6.177 { cd1 tyr A 99 1wl7A_99Y_112G}P -10.906 -1.071 -5.941 { cd2 tyr A 99 1wl7A_99Y_112G}P -9.895 -0.762 -8.09 { ce1 tyr A 99 1wl7A_99Y_112G}P -12.142 -0.697 -6.462 { ce2 tyr A 99 1wl7A_99Y_112G}P -11.128 -0.384 -8.62 { oh tyr A 99 1wl7A_99Y_112G}P -13.451 0.026 -8.322 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 99 A}'P' blue -11.773 1.23 -8.419 {"}'P' blue -11.524 1.308 -8.415 {"}'P' sky -11.58 1.243 -8.159 {"}'P' sky -11.324 1.292 -8.157 {"}'P' sky -11.391 1.194 -7.911 {"}'P' blue -11.136 1.216 -7.91 @dotlist {x} color= white width= 1 master= {vdw contact} { CZ TYR 99 A}'P' sea -12.446 1.354 -8.118 {"}'P' green -12.185 1.366 -8.118 {"}'P' green -11.925 1.337 -8.119 {"}'P' sea -11.673 1.269 -8.122 {"}'P' green -12.63 1.35 -7.859 {"}'P' green -11.604 1.274 -7.863 {"}'P' green -12.638 1.337 -7.598 {"}'P' green -11.612 1.265 -7.601 {"}'P' sea -11.377 1.153 -7.606 {"}'P' green -12.694 1.272 -7.342 {"}'P' green -11.665 1.232 -7.344 {"}'P' sea -11.427 1.125 -7.349 {"}'P' green -12.505 1.223 -7.094 {"}'P' green -11.746 1.167 -7.097 {"}'P' sea -11.51 1.071 -7.101 {"}'P' sea -12.435 1.109 -6.863 {"}'P' sea -12.178 1.12 -6.863 {"}'P' sea -11.923 1.087 -6.864 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ TYR 99 A}'P' P -12.372 1.389 -7.858 {"}'P' -12.372 1.378 -7.857 {"}'P' P -12.112 1.389 -7.858 {"}'P' -12.114 1.352 -7.857 {"}'P' P -11.854 1.35 -7.859 {"}'P' -11.857 1.334 -7.859 {"}'P' P -12.381 1.377 -7.596 {"}'P' -12.377 1.33 -7.602 {"}'P' P -12.12 1.378 -7.596 {"}'P' -12.125 1.301 -7.606 {"}'P' P -11.862 1.341 -7.598 {"}'P' -11.874 1.286 -7.605 {"}'P' P -12.438 1.321 -7.34 {"}'P' -12.435 1.297 -7.347 {"}'P' P -12.177 1.331 -7.34 {"}'P' -12.179 1.268 -7.357 {"}'P' P -11.917 1.301 -7.341 {"}'P' -11.927 1.25 -7.355 {"}'P' P -12.25 1.245 -7.093 {"}'P' -12.25 1.244 -7.094 {"}'P' P -11.995 1.226 -7.094 {"}'P' -11.996 1.222 -7.096 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 99 A}'P' blue -12.837 1.271 -8.138 {"}'P' blue -13.134 1.317 -7.882 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 112 A}'P' blue -11.409 1.705 -8.116 {"}'P' blue -12.803 1.682 -7.895 {"}'P' blue -12.901 1.652 -7.648 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 112 A}'P' sea -11.876 1.486 -8.125 {"}'P' green -12.136 1.484 -8.125 {"}'P' sea -12.386 1.555 -8.122 {"}'P' green -11.64 1.395 -7.907 {"}'P' green -12.388 1.395 -7.907 {"}'P' sea -12.613 1.513 -7.902 {"}'P' green -11.512 1.346 -7.662 {"}'P' green -12.719 1.473 -7.656 {"}'P' green -11.466 1.325 -7.402 {"}'P' green -12.671 1.391 -7.399 {"}'P' sea -11.512 1.323 -7.142 {"}'P' green -11.752 1.237 -7.145 {"}'P' green -12.502 1.316 -7.142 {"}'P' sea -11.887 1.29 -6.895 {"}'P' green -12.141 1.29 -6.895 {"}'P' sea -12.388 1.351 -6.893 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 112 A}'P' P -11.887 1.335 -7.91 {"}'P' -11.888 1.343 -7.905 {"}'P' P -12.141 1.335 -7.91 {"}'P' -12.138 1.358 -7.897 {"}'P' P -11.752 1.26 -7.666 {"}'P' -11.759 1.287 -7.658 {"}'P' P -12.006 1.23 -7.667 {"}'P' -12.006 1.298 -7.648 {"}'P' P -12.26 1.257 -7.666 {"}'P' -12.246 1.319 -7.648 {"}'P' P -12.502 1.339 -7.662 {"}'P' -12.495 1.352 -7.658 {"}'P' P -11.701 1.232 -7.406 {"}'P' -11.705 1.245 -7.406 {"}'P' P -11.951 1.191 -7.408 {"}'P' -11.954 1.255 -7.405 {"}'P' P -12.203 1.205 -7.407 {"}'P' -12.192 1.274 -7.404 {"}'P' P -12.447 1.272 -7.404 {"}'P' -12.436 1.301 -7.403 {"}'P' P -12.006 1.207 -7.147 {"}'P' -12.006 1.226 -7.15 {"}'P' P -12.26 1.234 -7.145 {"}'P' -12.257 1.248 -7.148 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 99 A}'M' greentint -9.192 1.874 -7.347 {"}'M' greentint -9.141 2.122 -7.336 {"}'M' greentint -9.041 2.355 -7.326 {"}'M' greentint -8.896 2.563 -7.317 {"}'M' greentint -9.286 1.856 -7.107 {"}'M' greentint -9.239 2.108 -7.096 {"}'M' greentint -9.146 2.346 -7.085 {"}'M' greentint -9.008 2.562 -7.076 {"}'M' greentint -8.833 2.748 -7.068 {"}'M' greentint -9.339 1.726 -6.858 {"}'M' greentint -9.315 1.982 -6.847 {"}'M' greentint -9.245 2.229 -6.836 {"}'M' greentint -9.13 2.459 -6.826 {"}'M' greentint -8.975 2.664 -6.817 {"}'M' greentint -8.785 2.837 -6.81 {"}'M' greentint -9.339 1.706 -6.6 {"}'M' greentint -9.317 1.962 -6.589 {"}'M' greentint -9.248 2.21 -6.578 {"}'M' greentint -9.135 2.441 -6.568 {"}'M' greentint -8.981 2.647 -6.559 {"}'M' greentint -8.792 2.821 -6.552 {"}'M' greentint -9.237 2.082 -6.33 {"}'M' greentint -9.142 2.32 -6.319 {"}'M' greentint -9.003 2.535 -6.31 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 112 A}'M' greentint -8.834 2.361 -7.449 {"}'M' greentint -8.944 2.127 -7.46 {"}'M' greentint -8.731 2.348 -7.208 {"}'M' greentint -8.827 2.115 -7.219 {"}'M' greentint -8.981 1.915 -7.227 {"}'M' greentint -9.181 1.762 -7.234 {"}'M' greentint -8.698 2.597 -7.198 {"}'M' greentint -8.693 2.345 -6.95 {"}'M' greentint -8.784 2.112 -6.96 {"}'M' greentint -8.93 1.908 -6.969 {"}'M' greentint -9.121 1.747 -6.976 {"}'M' greentint -8.697 2.842 -6.928 {"}'M' greentint -8.664 2.594 -6.939 {"}'M' greentint -8.731 2.325 -6.691 {"}'M' greentint -8.827 2.092 -6.701 {"}'M' greentint -8.981 1.892 -6.71 {"}'M' greentint -9.181 1.739 -6.717 {"}'M' greentint -8.731 2.824 -6.67 {"}'M' greentint -8.698 2.575 -6.68 {"}'M' greentint -8.834 2.317 -6.45 {"}'M' greentint -8.944 2.084 -6.46 {"}'M' greentint -9.118 1.893 -6.469 {"}'M' greentint -8.798 2.572 -6.439 {"}'M' greentint -9.005 2.3 -6.244 {"}'M' greentint -9.141 2.079 -6.253 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 99 A}'M' green -9.795 1.405 -5.251 {"}'M' green -9.651 1.619 -5.242 {"}'M' green -9.977 1.026 -5.027 {"}'M' green -9.494 1.862 -4.99 {"}'M' green -10.002 0.882 -4.774 {"}'M' green -9.444 1.916 -4.729 {"}'M' green -9.977 1.004 -4.509 {"}'M' green -9.494 1.839 -4.473 {"}'M' green -9.869 1.114 -4.263 {"}'M' green -9.451 1.738 -4.236 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 99 A}'M' greentint -9.944 1.276 -5.016 {"}'M' greentint -9.848 1.509 -5.006 {"}'M' greentint -9.694 1.709 -4.997 {"}'M' greentint -10.004 1.132 -4.763 {"}'M' greentint -9.944 1.375 -4.752 {"}'M' greentint -9.825 1.596 -4.743 {"}'M' greentint -9.655 1.78 -4.735 {"}'M' greentint -9.944 1.253 -4.499 {"}'M' greentint -9.848 1.486 -4.488 {"}'M' greentint -9.694 1.686 -4.48 {"}'M' greentint -9.795 1.361 -4.252 {"}'M' greentint -9.651 1.576 -4.243 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 112 A}'M' green -9.66 1.855 -5.177 {"}'M' green -9.736 1.613 -5.188 {"}'M' green -9.859 1.392 -5.198 {"}'M' green -10.025 1.2 -5.206 {"}'M' green -9.564 1.85 -4.937 {"}'M' green -10.1 1.006 -4.973 {"}'M' green -10.048 0.974 -4.721 {"}'M' green -9.516 1.827 -4.425 {"}'M' green -10.041 0.968 -4.462 {"}'M' green -9.566 1.809 -4.171 {"}'M' green -9.638 1.563 -4.182 {"}'M' green -9.913 1.135 -4.201 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 112 A}'M' greentint -9.635 1.604 -4.947 {"}'M' greentint -9.751 1.376 -4.957 {"}'M' greentint -9.908 1.174 -4.966 {"}'M' greentint -9.518 1.83 -4.683 {"}'M' greentint -9.588 1.583 -4.694 {"}'M' greentint -9.703 1.352 -4.704 {"}'M' greentint -9.858 1.147 -4.713 {"}'M' greentint -9.585 1.579 -4.436 {"}'M' greentint -9.698 1.348 -4.446 {"}'M' greentint -9.852 1.142 -4.455 {"}'M' greentint -9.755 1.336 -4.192 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n cys A 38 1wpuA_104F_40G}P -7.456 5.379 -12.63 {"}-7.456 5.379 -12.63 { ca cys A 38 1wpuA_104F_40G}-8.741 5.218 -11.968 { c cys A 38 1wpuA_104F_40G}-8.489 4.796 -10.524 { o cys A 38 1wpuA_104F_40G}-7.655 3.932 -10.264 { c cys A 38 1wpuA_104F_40G}P -8.489 4.796 -10.524 { n leu A 39 1wpuA_104F_40G}-9.193 5.428 -9.594 { ca leu A 39 1wpuA_104F_40G}-9.073 5.11 -8.177 { c leu A 39 1wpuA_104F_40G}-10.469 4.889 -7.624 { o leu A 39 1wpuA_104F_40G}-11.412 5.587 -8 { c leu A 39 1wpuA_104F_40G}P -10.469 4.889 -7.624 { n gly A 40 1wpuA_104F_40G}-10.604 3.912 -6.736 { ca gly A 40 1wpuA_104F_40G}-11.902 3.639 -6.156 { c gly A 40 1wpuA_104F_40G}-11.822 2.847 -4.869 { o gly A 40 1wpuA_104F_40G}-10.738 2.56 -4.364 { c gly A 40 1wpuA_104F_40G}P -11.822 2.847 -4.869 { n lys A 41 1wpuA_104F_40G}-12.984 2.507 -4.333 { ca lys A 41 1wpuA_104F_40G}-13.065 1.74 -3.105 { c lys A 41 1wpuA_104F_40G}-14.287 0.848 -3.183 { o lys A 41 1wpuA_104F_40G}-15.277 1.189 -3.823 { c lys A 41 1wpuA_104F_40G}P -14.287 0.848 -3.183 { n val A 42 1wpuA_104F_40G}-14.205 -0.308 -2.543 { ca val A 42 1wpuA_104F_40G}-15.308 -1.242 -2.532 { c val A 42 1wpuA_104F_40G}-15.086 -2.244 -1.413 { o val A 42 1wpuA_104F_40G}-13.956 -2.652 -1.145 { n leu A 102 1wpuA_104F_40G}P -11.717 -2.851 0.511 {"}-11.717 -2.851 0.511 { ca leu A 102 1wpuA_104F_40G}-10.599 -2.489 -0.347 { c leu A 102 1wpuA_104F_40G}-10.615 -1.123 -1.002 { o leu A 102 1wpuA_104F_40G}-11.659 -0.493 -1.167 { c leu A 102 1wpuA_104F_40G}P -10.615 -1.123 -1.002 { n arg A 103 1wpuA_104F_40G}-9.416 -0.69 -1.363 { ca arg A 103 1wpuA_104F_40G}-9.207 0.528 -2.116 { c arg A 103 1wpuA_104F_40G}-8.525 -0.075 -3.339 { o arg A 103 1wpuA_104F_40G}-7.793 -1.067 -3.222 { c arg A 103 1wpuA_104F_40G}P -8.525 -0.075 -3.339 { n phe A 104 1wpuA_104F_40G}-8.783 0.478 -4.513 { ca phe A 104 1wpuA_104F_40G}-8.173 -0.049 -5.716 { c phe A 104 1wpuA_104F_40G}-7.72 1.044 -6.651 { o phe A 104 1wpuA_104F_40G}-8.198 2.182 -6.596 { c phe A 104 1wpuA_104F_40G}P -7.72 1.044 -6.651 { n ala A 105 1wpuA_104F_40G}-6.771 0.689 -7.502 { ca ala A 105 1wpuA_104F_40G}-6.247 1.61 -8.486 { c ala A 105 1wpuA_104F_40G}-6.047 0.817 -9.761 { o ala A 105 1wpuA_104F_40G}-5.622 -0.34 -9.724 { c ala A 105 1wpuA_104F_40G}P -6.047 0.817 -9.761 { n val A 106 1wpuA_104F_40G}-6.394 1.424 -10.886 { ca val A 106 1wpuA_104F_40G}-6.211 0.791 -12.174 { c val A 106 1wpuA_104F_40G}-5.423 1.787 -13.007 { o val A 106 1wpuA_104F_40G}-5.818 2.941 -13.155 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n cys A 38 1wpuA_104F_40G}P -7.456 5.379 -12.63 { ca cys A 38 1wpuA_104F_40G}P -8.741 5.218 -11.968 { n leu A 39 1wpuA_104F_40G}P -9.193 5.428 -9.594 { ca leu A 39 1wpuA_104F_40G}P -9.073 5.11 -8.177 { n gly A 40 1wpuA_104F_40G}P -10.604 3.912 -6.736 { ca gly A 40 1wpuA_104F_40G}P -11.902 3.639 -6.156 {"}P -11.902 3.639 -6.156 { n lys A 41 1wpuA_104F_40G}P -12.984 2.507 -4.333 { ca lys A 41 1wpuA_104F_40G}P -13.065 1.74 -3.105 { n val A 42 1wpuA_104F_40G}P -14.205 -0.308 -2.543 { ca val A 42 1wpuA_104F_40G}P -15.308 -1.242 -2.532 { n leu A 102 1wpuA_104F_40G}P -11.717 -2.851 0.511 { ca leu A 102 1wpuA_104F_40G}P -10.599 -2.489 -0.347 { n arg A 103 1wpuA_104F_40G}P -9.416 -0.69 -1.363 { ca arg A 103 1wpuA_104F_40G}P -9.207 0.528 -2.116 { n phe A 104 1wpuA_104F_40G}P -8.783 0.478 -4.513 { ca phe A 104 1wpuA_104F_40G}P -8.173 -0.049 -5.716 { n ala A 105 1wpuA_104F_40G}P -6.771 0.689 -7.502 { ca ala A 105 1wpuA_104F_40G}P -6.247 1.61 -8.486 { n val A 106 1wpuA_104F_40G}P -6.394 1.424 -10.886 { ca val A 106 1wpuA_104F_40G}P -6.211 0.791 -12.174 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca cys A 38 1wpuA_104F_40G}P -8.741 5.218 -11.968 {"}-8.741 5.218 -11.968 { ca leu A 39 1wpuA_104F_40G}-9.073 5.11 -8.177 { ca gly A 40 1wpuA_104F_40G}-11.902 3.639 -6.156 { ca lys A 41 1wpuA_104F_40G}-13.065 1.74 -3.105 { ca val A 42 1wpuA_104F_40G}-15.308 -1.242 -2.532 { ca leu A 102 1wpuA_104F_40G}P -10.599 -2.489 -0.347 {"}-10.599 -2.489 -0.347 { ca arg A 103 1wpuA_104F_40G}-9.207 0.528 -2.116 { ca phe A 104 1wpuA_104F_40G}-8.173 -0.049 -5.716 { ca ala A 105 1wpuA_104F_40G}-6.247 1.61 -8.486 { ca val A 106 1wpuA_104F_40G}-6.211 0.791 -12.174 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca cys A 38 1wpuA_104F_40G}P -8.741 5.218 -11.968 { ca leu A 39 1wpuA_104F_40G}P -9.073 5.11 -8.177 { ca lys A 41 1wpuA_104F_40G}P -13.065 1.74 -3.105 { ca val A 42 1wpuA_104F_40G}P -15.308 -1.242 -2.532 { ca leu A 102 1wpuA_104F_40G}P -10.599 -2.489 -0.347 { ca arg A 103 1wpuA_104F_40G}P -9.207 0.528 -2.116 { ca phe A 104 1wpuA_104F_40G}P -8.173 -0.049 -5.716 { cb phe A 104 1wpuA_104F_40G}-9.143 -1.002 -6.436 { cg phe A 104 1wpuA_104F_40G}-10.402 -0.346 -6.948 { cd1 phe A 104 1wpuA_104F_40G}-10.399 0.364 -8.145 { ce1 phe A 104 1wpuA_104F_40G}-11.578 0.93 -8.645 { cz phe A 104 1wpuA_104F_40G}-12.767 0.783 -7.938 { cg phe A 104 1wpuA_104F_40G}P -10.402 -0.346 -6.948 { cd2 phe A 104 1wpuA_104F_40G}-11.599 -0.48 -6.25 { ce2 phe A 104 1wpuA_104F_40G}-12.779 0.08 -6.741 { cz phe A 104 1wpuA_104F_40G}ghost -12.767 0.783 -7.938 { ca ala A 105 1wpuA_104F_40G}P -6.247 1.61 -8.486 { ca val A 106 1wpuA_104F_40G}P -6.211 0.791 -12.174 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 104 1wpuA_104F_40G}P -9.143 -1.002 -6.436 {"}P -9.143 -1.002 -6.436 { cd1 phe A 104 1wpuA_104F_40G}P -10.399 0.364 -8.145 { cd2 phe A 104 1wpuA_104F_40G}P -11.599 -0.48 -6.25 { ce1 phe A 104 1wpuA_104F_40G}P -11.578 0.93 -8.645 { ce2 phe A 104 1wpuA_104F_40G}P -12.779 0.08 -6.741 { cz phe A 104 1wpuA_104F_40G}P -12.767 0.783 -7.938 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 104 1wpuA_104F_40G}P -8.173 -0.049 -5.716 { cb phe A 104 1wpuA_104F_40G}-9.143 -1.002 -6.436 { cg phe A 104 1wpuA_104F_40G}-10.402 -0.346 -6.948 { cd1 phe A 104 1wpuA_104F_40G}-10.399 0.364 -8.145 { ce1 phe A 104 1wpuA_104F_40G}-11.578 0.93 -8.645 { cz phe A 104 1wpuA_104F_40G}-12.767 0.783 -7.938 { cg phe A 104 1wpuA_104F_40G}P -10.402 -0.346 -6.948 { cd2 phe A 104 1wpuA_104F_40G}-11.599 -0.48 -6.25 { ce2 phe A 104 1wpuA_104F_40G}-12.779 0.08 -6.741 { cz phe A 104 1wpuA_104F_40G}ghost -12.767 0.783 -7.938 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 104 1wpuA_104F_40G}P -9.143 -1.002 -6.436 {"}P -9.143 -1.002 -6.436 { cd1 phe A 104 1wpuA_104F_40G}P -10.399 0.364 -8.145 { cd2 phe A 104 1wpuA_104F_40G}P -11.599 -0.48 -6.25 { ce1 phe A 104 1wpuA_104F_40G}P -11.578 0.93 -8.645 { ce2 phe A 104 1wpuA_104F_40G}P -12.779 0.08 -6.741 { cz phe A 104 1wpuA_104F_40G}P -12.767 0.783 -7.938 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 104 A}'P' sky -12.276 2.468 -8.188 {"}'P' sky -12.03 2.557 -8.184 {"}'P' sky -11.586 2.53 -7.935 { CE2 PHE 104 A}'P' sky -13.175 1.772 -6.536 {"}'P' blue -12.975 1.756 -6.278 {"}'P' sky -12.714 1.766 -6.278 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 104 A}'P' green -12.089 2.447 -7.939 {"}'P' sea -11.841 2.508 -7.936 {"}'P' green -11.771 2.394 -7.705 {"}'P' green -11.781 2.234 -7.496 { CE2 PHE 104 A}'P' sea -12.399 1.776 -6.536 { CZ PHE 104 A}'P' green -13.163 2.475 -7.733 {"}'P' green -11.972 2.034 -7.008 {"}'P' green -12.703 1.914 -6.605 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 104 A}'P' P -12.906 2.515 -7.731 {"}'P' -12.903 2.477 -7.736 {"}'P' P -12.645 2.516 -7.731 {"}'P' -12.65 2.446 -7.74 {"}'P' P -12.387 2.479 -7.733 {"}'P' -12.4 2.421 -7.74 {"}'P' P -12.137 2.403 -7.736 {"}'P' -12.14 2.395 -7.737 {"}'P' P -13.219 2.41 -7.477 {"}'P' -13.215 2.397 -7.481 {"}'P' P -12.963 2.459 -7.475 {"}'P' -12.951 2.363 -7.502 {"}'P' P -12.702 2.469 -7.475 {"}'P' -12.707 2.326 -7.514 {"}'P' P -12.442 2.439 -7.476 {"}'P' -12.469 2.301 -7.515 {"}'P' P -12.19 2.37 -7.479 {"}'P' -12.221 2.285 -7.503 {"}'P' P -11.952 2.263 -7.484 {"}'P' -11.954 2.259 -7.485 {"}'P' P -13.278 2.3 -7.232 {"}'P' -13.275 2.291 -7.236 {"}'P' P -13.03 2.361 -7.229 {"}'P' -13.014 2.263 -7.273 {"}'P' P -12.775 2.383 -7.228 {"}'P' -12.774 2.224 -7.299 {"}'P' P -12.52 2.364 -7.229 {"}'P' -12.546 2.196 -7.304 {"}'P' P -12.271 2.305 -7.232 {"}'P' -12.312 2.182 -7.289 {"}'P' P -12.035 2.209 -7.236 {"}'P' -12.058 2.163 -7.259 {"}'P' P -13.211 2.193 -7.001 {"}'P' -13.207 2.179 -7.009 {"}'P' P -12.96 2.247 -6.998 {"}'P' -12.948 2.157 -7.056 {"}'P' P -12.703 2.258 -6.998 {"}'P' -12.708 2.125 -7.083 {"}'P' P -12.448 2.225 -6.999 {"}'P' -12.475 2.101 -7.08 {"}'P' P -12.202 2.15 -7.002 {"}'P' -12.231 2.08 -7.05 {"}'P' P -12.97 2.087 -6.789 {"}'P' -12.966 2.061 -6.812 {"}'P' P -12.71 2.101 -6.788 {"}'P' -12.713 2.039 -6.842 {"}'P' P -12.452 2.066 -6.79 {"}'P' -12.466 2.012 -6.838 {"}'P' P -12.206 1.982 -6.793 {"}'P' -12.21 1.974 -6.801 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 40 A}'P' sea -11.954 2.654 -7.818 {"}'P' sea -11.739 2.628 -7.634 {"}'P' green -11.908 2.43 -7.643 {"}'P' sea -11.724 2.407 -7.422 {"}'P' green -11.914 2.238 -7.429 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 40 A}'P' P -12.386 2.405 -7.829 {"}'P' -12.391 2.428 -7.797 {"}'P' P -12.64 2.405 -7.829 {"}'P' -12.633 2.44 -7.781 {"}'P' P -12.878 2.492 -7.825 {"}'P' -12.872 2.5 -7.812 {"}'P' P -12.125 2.287 -7.649 {"}'P' -12.14 2.317 -7.62 {"}'P' P -12.375 2.211 -7.652 {"}'P' -12.389 2.301 -7.573 {"}'P' P -12.635 2.209 -7.652 {"}'P' -12.62 2.317 -7.557 {"}'P' P -12.885 2.28 -7.649 {"}'P' -12.85 2.356 -7.577 {"}'P' P -13.106 2.419 -7.643 {"}'P' -13.092 2.434 -7.626 {"}'P' P -12.139 2.12 -7.434 {"}'P' -12.169 2.198 -7.39 {"}'P' P -12.386 2.06 -7.437 {"}'P' -12.404 2.202 -7.36 {"}'P' P -12.64 2.06 -7.437 {"}'P' -12.62 2.223 -7.349 {"}'P' P -12.887 2.12 -7.434 {"}'P' -12.836 2.25 -7.36 {"}'P' P -13.112 2.238 -7.429 {"}'P' -13.068 2.3 -7.389 {"}'P' P -12.011 2.071 -7.189 {"}'P' -12.028 2.105 -7.179 {"}'P' P -12.251 1.985 -7.193 {"}'P' -12.279 2.1 -7.16 {"}'P' P -12.505 1.955 -7.194 {"}'P' -12.506 2.117 -7.149 {"}'P' P -12.759 1.982 -7.193 {"}'P' -12.723 2.141 -7.148 {"}'P' P -13.001 2.064 -7.189 {"}'P' -12.949 2.172 -7.157 {"}'P' P -13.218 2.198 -7.183 {"}'P' -13.193 2.23 -7.173 {"}'P' P -12.2 1.957 -6.933 {"}'P' -12.214 2.007 -6.931 {"}'P' P -12.45 1.916 -6.935 {"}'P' -12.455 2.018 -6.931 {"}'P' P -12.702 1.93 -6.934 {"}'P' -12.684 2.04 -6.93 {"}'P' P -12.946 1.997 -6.931 {"}'P' -12.916 2.073 -6.928 {"}'P' P -13.17 2.116 -6.926 {"}'P' -13.161 2.128 -6.926 {"}'P' P -12.505 1.932 -6.674 {"}'P' -12.505 1.943 -6.676 {"}'P' P -12.759 1.959 -6.672 {"}'P' -12.757 1.97 -6.675 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 104 A}'M' green -9.492 2.57 -6.963 {"}'M' green -8.827 3.419 -6.413 {"}'M' green -8.871 3.33 -6.162 {"}'M' green -9.396 2.522 -5.957 {"}'M' green -8.971 3.14 -5.93 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 104 A}'M' greentint -9.399 2.808 -6.952 {"}'M' greentint -9.261 3.024 -6.943 {"}'M' greentint -9.086 3.21 -6.935 {"}'M' greentint -9.568 2.444 -6.714 {"}'M' greentint -9.498 2.691 -6.703 {"}'M' greentint -9.383 2.921 -6.693 {"}'M' greentint -9.228 3.126 -6.684 {"}'M' greentint -9.038 3.299 -6.677 {"}'M' greentint -9.57 2.424 -6.456 {"}'M' greentint -9.501 2.672 -6.445 {"}'M' greentint -9.388 2.903 -6.435 {"}'M' greentint -9.234 3.109 -6.426 {"}'M' greentint -9.045 3.283 -6.419 {"}'M' greentint -9.49 2.544 -6.197 {"}'M' greentint -9.395 2.782 -6.186 {"}'M' greentint -9.256 2.997 -6.177 {"}'M' greentint -9.08 3.182 -6.169 {"}'M' greentint -9.298 2.755 -5.946 {"}'M' greentint -9.154 2.964 -5.937 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 40 A}'M' greentint -9.031 3.097 -6.926 {"}'M' greentint -9.141 2.863 -6.937 {"}'M' greentint -9.315 2.673 -6.945 {"}'M' greentint -8.928 3.084 -6.685 {"}'M' greentint -9.024 2.851 -6.696 {"}'M' greentint -9.178 2.651 -6.704 {"}'M' greentint -9.378 2.498 -6.711 {"}'M' greentint -8.895 3.333 -6.675 {"}'M' greentint -8.89 3.081 -6.427 {"}'M' greentint -8.981 2.848 -6.437 {"}'M' greentint -9.127 2.644 -6.446 {"}'M' greentint -9.318 2.483 -6.453 {"}'M' greentint -9.544 2.374 -6.457 {"}'M' greentint -8.861 3.33 -6.416 {"}'M' greentint -8.928 3.061 -6.168 {"}'M' greentint -9.024 2.828 -6.178 {"}'M' greentint -9.178 2.628 -6.187 {"}'M' greentint -9.378 2.475 -6.194 {"}'M' greentint -8.895 3.311 -6.157 {"}'M' greentint -9.031 3.053 -5.927 {"}'M' greentint -9.141 2.82 -5.937 {"}'M' greentint -9.315 2.629 -5.946 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 104 A}'M' greentint -10.172 1.653 -5.135 {"}'M' greentint -10.028 1.867 -5.126 {"}'M' greentint -9.828 2.03 -5.119 {"}'M' greentint -10.321 1.524 -4.9 {"}'M' greentint -10.225 1.757 -4.89 {"}'M' greentint -10.071 1.957 -4.881 {"}'M' greentint -9.871 2.11 -4.874 {"}'M' greentint -9.638 2.206 -4.87 {"}'M' greentint -10.381 1.38 -4.647 {"}'M' greentint -10.321 1.623 -4.636 {"}'M' greentint -10.202 1.844 -4.627 {"}'M' greentint -10.032 2.028 -4.619 {"}'M' greentint -9.821 2.164 -4.613 {"}'M' greentint -9.583 2.243 -4.609 {"}'M' greentint -10.354 1.252 -4.393 {"}'M' greentint -10.321 1.501 -4.383 {"}'M' greentint -10.225 1.734 -4.372 {"}'M' greentint -10.071 1.934 -4.364 {"}'M' greentint -9.871 2.087 -4.357 {"}'M' greentint -9.638 2.184 -4.353 {"}'M' greentint -9.388 2.217 -4.351 {"}'M' greentint -10.246 1.362 -4.147 {"}'M' greentint -10.172 1.609 -4.136 {"}'M' greentint -10.028 1.824 -4.127 {"}'M' greentint -9.828 1.986 -4.12 {"}'M' greentint -9.589 2.083 -4.116 {"}'M' greentint -9.989 1.604 -3.929 {"}'M' greentint -9.814 1.796 -3.921 {"}'M' greentint -9.582 1.912 -3.916 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 40 A}'M' greentint -9.877 1.886 -5.238 {"}'M' greentint -9.586 2.093 -5.009 {"}'M' greentint -9.709 1.872 -5.019 {"}'M' greentint -9.875 1.68 -5.027 {"}'M' greentint -10.075 1.525 -5.034 {"}'M' greentint -9.485 2.084 -4.768 {"}'M' greentint -9.601 1.856 -4.778 {"}'M' greentint -9.758 1.654 -4.787 {"}'M' greentint -9.95 1.486 -4.794 {"}'M' greentint -10.171 1.356 -4.8 {"}'M' greentint -9.438 2.063 -4.515 {"}'M' greentint -9.553 1.832 -4.525 {"}'M' greentint -9.708 1.627 -4.534 {"}'M' greentint -9.898 1.454 -4.542 {"}'M' greentint -10.117 1.319 -4.547 {"}'M' greentint -10.357 1.226 -4.552 {"}'M' greentint -9.435 2.059 -4.257 {"}'M' greentint -9.548 1.828 -4.267 {"}'M' greentint -9.702 1.622 -4.276 {"}'M' greentint -9.891 1.448 -4.283 {"}'M' greentint -10.109 1.311 -4.289 {"}'M' greentint -9.605 1.816 -4.013 {"}'M' greentint -9.763 1.615 -4.022 {"}'M' greentint -9.957 1.447 -4.029 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n val A 30 1wtoA_32F_43G}P -12.005 -1.829 0.505 {"}-12.005 -1.829 0.505 { ca val A 30 1wtoA_32F_43G}-10.985 -2.421 -0.299 { c val A 30 1wtoA_32F_43G}-10.679 -1.246 -1.296 { o val A 30 1wtoA_32F_43G}-11.564 -0.828 -2.062 { c val A 30 1wtoA_32F_43G}P -10.679 -1.246 -1.296 { n ser A 31 1wtoA_32F_43G}-9.496 -0.636 -1.177 { ca ser A 31 1wtoA_32F_43G}-9.036 0.404 -2.084 { c ser A 31 1wtoA_32F_43G}-8.326 -0.252 -3.286 { o ser A 31 1wtoA_32F_43G}-7.686 -1.284 -3.191 { c ser A 31 1wtoA_32F_43G}P -8.326 -0.252 -3.286 { n phe A 32 1wtoA_32F_43G}-8.453 0.389 -4.441 { ca phe A 32 1wtoA_32F_43G}-7.741 -0.095 -5.614 { c phe A 32 1wtoA_32F_43G}-7.42 1.031 -6.584 { o phe A 32 1wtoA_32F_43G}-8.035 2.084 -6.546 { c phe A 32 1wtoA_32F_43G}P -7.42 1.031 -6.584 { n thr A 33 1wtoA_32F_43G}-6.376 0.808 -7.36 { ca thr A 33 1wtoA_32F_43G}-6.048 1.717 -8.437 { c thr A 33 1wtoA_32F_43G}-6.255 0.893 -9.697 { o thr A 33 1wtoA_32F_43G}-6.257 -0.357 -9.647 { c thr A 33 1wtoA_32F_43G}P -6.255 0.893 -9.697 { n tyr A 34 1wtoA_32F_43G}-6.493 1.594 -10.813 { ca tyr A 34 1wtoA_32F_43G}-6.734 0.902 -12.062 { c tyr A 34 1wtoA_32F_43G}-6.297 1.74 -13.254 { o tyr A 34 1wtoA_32F_43G}-6.092 2.942 -13.114 { n gly A 41 1wtoA_32F_43G}P -6.626 5.57 -12.157 {"}-6.626 5.57 -12.157 { ca gly A 41 1wtoA_32F_43G}-7.933 5.782 -11.578 { c gly A 41 1wtoA_32F_43G}-7.909 5.192 -10.157 { o gly A 41 1wtoA_32F_43G}-7.199 4.216 -9.926 { c gly A 41 1wtoA_32F_43G}P -7.909 5.192 -10.157 { n arg A 42 1wtoA_32F_43G}-8.651 5.789 -9.239 { ca arg A 42 1wtoA_32F_43G}-8.761 5.281 -7.86 { c arg A 42 1wtoA_32F_43G}-10.215 4.985 -7.584 { o arg A 42 1wtoA_32F_43G}-11.111 5.736 -7.988 { c arg A 42 1wtoA_32F_43G}P -10.215 4.985 -7.584 { n gly A 43 1wtoA_32F_43G}-10.463 3.884 -6.918 { ca gly A 43 1wtoA_32F_43G}-11.797 3.523 -6.501 { c gly A 43 1wtoA_32F_43G}-11.735 2.78 -5.169 { o gly A 43 1wtoA_32F_43G}-10.677 2.348 -4.709 { c gly A 43 1wtoA_32F_43G}P -11.735 2.78 -5.169 { n ala A 44 1wtoA_32F_43G}-12.896 2.647 -4.552 { ca ala A 44 1wtoA_32F_43G}-12.99 1.883 -3.317 { c ala A 44 1wtoA_32F_43G}-14.356 1.244 -3.216 { o ala A 44 1wtoA_32F_43G}-15.359 1.817 -3.668 { c ala A 44 1wtoA_32F_43G}P -14.356 1.244 -3.216 { n val A 45 1wtoA_32F_43G}-14.407 0.072 -2.613 { ca val A 45 1wtoA_32F_43G}-15.693 -0.578 -2.385 { c val A 45 1wtoA_32F_43G}-15.638 -1.082 -0.948 { o val A 45 1wtoA_32F_43G}-14.601 -1.522 -0.495 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n val A 30 1wtoA_32F_43G}P -12.005 -1.829 0.505 { ca val A 30 1wtoA_32F_43G}P -10.985 -2.421 -0.299 { n ser A 31 1wtoA_32F_43G}P -9.496 -0.636 -1.177 { ca ser A 31 1wtoA_32F_43G}P -9.036 0.404 -2.084 { n phe A 32 1wtoA_32F_43G}P -8.453 0.389 -4.441 { ca phe A 32 1wtoA_32F_43G}P -7.741 -0.095 -5.614 { n thr A 33 1wtoA_32F_43G}P -6.376 0.808 -7.36 { ca thr A 33 1wtoA_32F_43G}P -6.048 1.717 -8.437 { n tyr A 34 1wtoA_32F_43G}P -6.493 1.594 -10.813 { ca tyr A 34 1wtoA_32F_43G}P -6.734 0.902 -12.062 { n gly A 41 1wtoA_32F_43G}P -6.626 5.57 -12.157 { ca gly A 41 1wtoA_32F_43G}P -7.933 5.782 -11.578 {"}P -7.933 5.782 -11.578 { n arg A 42 1wtoA_32F_43G}P -8.651 5.789 -9.239 { ca arg A 42 1wtoA_32F_43G}P -8.761 5.281 -7.86 { n gly A 43 1wtoA_32F_43G}P -10.463 3.884 -6.918 { ca gly A 43 1wtoA_32F_43G}P -11.797 3.523 -6.501 {"}P -11.797 3.523 -6.501 { n ala A 44 1wtoA_32F_43G}P -12.896 2.647 -4.552 { ca ala A 44 1wtoA_32F_43G}P -12.99 1.883 -3.317 { n val A 45 1wtoA_32F_43G}P -14.407 0.072 -2.613 { ca val A 45 1wtoA_32F_43G}P -15.693 -0.578 -2.385 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca val A 30 1wtoA_32F_43G}P -10.985 -2.421 -0.299 {"}-10.985 -2.421 -0.299 { ca ser A 31 1wtoA_32F_43G}-9.036 0.404 -2.084 { ca phe A 32 1wtoA_32F_43G}-7.741 -0.095 -5.614 { ca thr A 33 1wtoA_32F_43G}-6.048 1.717 -8.437 { ca tyr A 34 1wtoA_32F_43G}-6.734 0.902 -12.062 { ca gly A 41 1wtoA_32F_43G}P -7.933 5.782 -11.578 {"}-7.933 5.782 -11.578 { ca arg A 42 1wtoA_32F_43G}-8.761 5.281 -7.86 { ca gly A 43 1wtoA_32F_43G}-11.797 3.523 -6.501 { ca ala A 44 1wtoA_32F_43G}-12.99 1.883 -3.317 { ca val A 45 1wtoA_32F_43G}-15.693 -0.578 -2.385 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca val A 30 1wtoA_32F_43G}P -10.985 -2.421 -0.299 { ca ser A 31 1wtoA_32F_43G}P -9.036 0.404 -2.084 { ca phe A 32 1wtoA_32F_43G}P -7.741 -0.095 -5.614 { cb phe A 32 1wtoA_32F_43G}-8.491 -1.221 -6.357 { cg phe A 32 1wtoA_32F_43G}-9.88 -0.861 -6.768 { cd1 phe A 32 1wtoA_32F_43G}-10.125 -0.244 -7.974 { ce1 phe A 32 1wtoA_32F_43G}-11.421 0.202 -8.29 { cz phe A 32 1wtoA_32F_43G}-12.448 0.013 -7.413 { cg phe A 32 1wtoA_32F_43G}P -9.88 -0.861 -6.768 { cd2 phe A 32 1wtoA_32F_43G}-10.958 -1.05 -5.892 { ce2 phe A 32 1wtoA_32F_43G}-12.225 -0.609 -6.226 { cz phe A 32 1wtoA_32F_43G}ghost -12.448 0.013 -7.413 { ca thr A 33 1wtoA_32F_43G}P -6.048 1.717 -8.437 { ca tyr A 34 1wtoA_32F_43G}P -6.734 0.902 -12.062 { ca arg A 42 1wtoA_32F_43G}P -8.761 5.281 -7.86 { ca ala A 44 1wtoA_32F_43G}P -12.99 1.883 -3.317 { ca val A 45 1wtoA_32F_43G}P -15.693 -0.578 -2.385 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 32 1wtoA_32F_43G}P -8.491 -1.221 -6.357 {"}P -8.491 -1.221 -6.357 { cd1 phe A 32 1wtoA_32F_43G}P -10.125 -0.244 -7.974 { cd2 phe A 32 1wtoA_32F_43G}P -10.958 -1.05 -5.892 { ce1 phe A 32 1wtoA_32F_43G}P -11.421 0.202 -8.29 { ce2 phe A 32 1wtoA_32F_43G}P -12.225 -0.609 -6.226 { cz phe A 32 1wtoA_32F_43G}P -12.448 0.013 -7.413 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 32 1wtoA_32F_43G}P -7.741 -0.095 -5.614 { cb phe A 32 1wtoA_32F_43G}-8.491 -1.221 -6.357 { cg phe A 32 1wtoA_32F_43G}-9.88 -0.861 -6.768 { cd1 phe A 32 1wtoA_32F_43G}-10.125 -0.244 -7.974 { ce1 phe A 32 1wtoA_32F_43G}-11.421 0.202 -8.29 { cz phe A 32 1wtoA_32F_43G}-12.448 0.013 -7.413 { cg phe A 32 1wtoA_32F_43G}P -9.88 -0.861 -6.768 { cd2 phe A 32 1wtoA_32F_43G}-10.958 -1.05 -5.892 { ce2 phe A 32 1wtoA_32F_43G}-12.225 -0.609 -6.226 { cz phe A 32 1wtoA_32F_43G}ghost -12.448 0.013 -7.413 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 32 1wtoA_32F_43G}P -8.491 -1.221 -6.357 {"}P -8.491 -1.221 -6.357 { cd1 phe A 32 1wtoA_32F_43G}P -10.125 -0.244 -7.974 { cd2 phe A 32 1wtoA_32F_43G}P -10.958 -1.05 -5.892 { ce1 phe A 32 1wtoA_32F_43G}P -11.421 0.202 -8.29 { ce2 phe A 32 1wtoA_32F_43G}P -12.225 -0.609 -6.226 { cz phe A 32 1wtoA_32F_43G}P -12.448 0.013 -7.413 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 32 A}'P' blue -12.059 1.831 -8.35 {"}'P' blue -11.809 1.907 -8.346 {"}'P' sky -12.301 1.702 -8.094 {"}'P' sky -11.56 1.934 -8.083 {"}'P' sky -11.356 1.888 -7.827 { CZ PHE 32 A}'P' sky -12.703 1.648 -7.982 {"}'P' sky -12.448 1.668 -7.981 {"}'P' sky -12.908 1.671 -7.73 {"}'P' sky -13.086 1.642 -7.473 {"}'P' sky -13.093 1.627 -7.212 {"}'P' sky -12.9 1.64 -6.952 {"}'P' sky -12.711 1.591 -6.704 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 32 A}'P' sea -12.066 1.816 -8.089 {"}'P' sea -11.817 1.894 -8.085 {"}'P' green -12.119 1.74 -7.833 {"}'P' green -11.873 1.829 -7.829 {"}'P' sea -11.617 1.878 -7.827 {"}'P' green -11.932 1.719 -7.584 {"}'P' green -11.684 1.78 -7.581 {"}'P' sea -11.429 1.802 -7.58 {"}'P' sea -11.614 1.666 -7.35 { CZ PHE 32 A}'P' green -12.652 1.722 -7.728 {"}'P' green -12.391 1.734 -7.728 {"}'P' green -12.131 1.705 -7.729 {"}'P' green -12.836 1.718 -7.469 {"}'P' green -12.578 1.757 -7.468 {"}'P' green -12.06 1.718 -7.469 {"}'P' green -12.844 1.705 -7.208 {"}'P' green -12.587 1.745 -7.206 {"}'P' green -12.068 1.709 -7.208 {"}'P' sea -11.818 1.633 -7.211 {"}'P' green -12.644 1.689 -6.95 {"}'P' green -12.383 1.699 -6.95 {"}'P' green -12.123 1.669 -6.951 {"}'P' sea -11.871 1.6 -6.954 {"}'P' sea -12.456 1.613 -6.703 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 32 A}'P' P -12.318 1.757 -7.468 {"}'P' -12.318 1.748 -7.467 {"}'P' P -12.326 1.746 -7.206 {"}'P' -12.327 1.734 -7.208 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 43 A}'P' blue -12.144 2.211 -8.209 {"}'P' sky -11.666 2.236 -8.023 {"}'P' sky -12.393 2.015 -8.032 {"}'P' sky -11.482 2.213 -7.802 {"}'P' sky -12.976 2.004 -7.563 {"}'P' sky -12.976 1.982 -7.043 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 43 A}'P' sea -11.883 2.093 -8.029 {"}'P' sea -12.133 2.017 -8.032 {"}'P' sea -11.672 2.044 -7.809 {"}'P' green -11.897 1.926 -7.814 {"}'P' green -12.144 1.866 -7.817 {"}'P' green -12.398 1.866 -7.817 {"}'P' sea -12.645 1.926 -7.814 {"}'P' sea -11.553 2.014 -7.563 {"}'P' green -11.769 1.877 -7.569 {"}'P' green -12.009 1.791 -7.573 {"}'P' green -12.263 1.761 -7.574 {"}'P' green -12.517 1.788 -7.573 {"}'P' green -12.759 1.87 -7.569 {"}'P' sea -11.723 1.856 -7.309 {"}'P' green -11.958 1.763 -7.313 {"}'P' green -12.704 1.803 -7.311 {"}'P' sea -12.928 1.922 -7.306 {"}'P' sea -11.769 1.854 -7.049 {"}'P' green -12.009 1.768 -7.052 {"}'P' green -12.263 1.738 -7.054 {"}'P' green -12.517 1.765 -7.052 {"}'P' green -12.759 1.847 -7.049 {"}'P' sea -12.144 1.821 -6.802 {"}'P' sea -12.398 1.821 -6.802 {"}'P' sea -12.645 1.882 -6.8 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 43 A}'P' P -12.208 1.722 -7.315 {"}'P' -12.208 1.733 -7.314 {"}'P' P -12.46 1.736 -7.314 {"}'P' -12.458 1.748 -7.314 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 32 A}'M' green -9.231 2.486 -7.153 {"}'M' green -8.802 3.101 -7.126 {"}'M' green -8.715 3.262 -6.878 {"}'M' green -9.327 2.446 -6.147 {"}'M' green -8.917 3.084 -6.119 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 32 A}'M' greentint -9.131 2.719 -7.143 {"}'M' greentint -8.986 2.927 -7.134 {"}'M' greentint -9.329 2.472 -6.913 {"}'M' greentint -9.236 2.71 -6.902 {"}'M' greentint -9.098 2.926 -6.893 {"}'M' greentint -8.923 3.112 -6.885 {"}'M' greentint -9.405 2.346 -6.664 {"}'M' greentint -9.335 2.593 -6.653 {"}'M' greentint -9.22 2.823 -6.643 {"}'M' greentint -9.065 3.028 -6.634 {"}'M' greentint -8.875 3.201 -6.627 {"}'M' greentint -9.407 2.326 -6.406 {"}'M' greentint -9.338 2.574 -6.395 {"}'M' greentint -9.225 2.805 -6.385 {"}'M' greentint -9.071 3.011 -6.376 {"}'M' greentint -8.882 3.185 -6.369 {"}'M' greentint -9.232 2.684 -6.136 {"}'M' greentint -9.093 2.899 -6.127 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 43 A}'M' green -8.928 3 -7.164 {"}'M' green -9.212 2.576 -7.183 {"}'M' green -8.792 3.236 -6.913 {"}'M' green -9.441 2.277 -6.695 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 43 A}'M' greentint -9.038 2.766 -7.175 {"}'M' greentint -8.825 2.987 -6.923 {"}'M' greentint -8.921 2.754 -6.934 {"}'M' greentint -9.075 2.554 -6.942 {"}'M' greentint -9.275 2.401 -6.949 {"}'M' greentint -8.787 2.984 -6.665 {"}'M' greentint -8.878 2.751 -6.675 {"}'M' greentint -9.024 2.547 -6.684 {"}'M' greentint -9.215 2.386 -6.691 {"}'M' greentint -8.758 3.233 -6.654 {"}'M' greentint -8.825 2.964 -6.406 {"}'M' greentint -8.921 2.731 -6.416 {"}'M' greentint -9.075 2.531 -6.425 {"}'M' greentint -9.275 2.378 -6.432 {"}'M' greentint -8.792 3.214 -6.395 {"}'M' greentint -8.928 2.956 -6.165 {"}'M' greentint -9.038 2.723 -6.175 {"}'M' greentint -9.212 2.532 -6.184 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 32 A}'M' green -9.98 1.193 -4.327 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 32 A}'M' greentint -9.872 1.347 -5.08 {"}'M' greentint -9.798 1.594 -5.069 {"}'M' greentint -9.654 1.808 -5.06 {"}'M' greentint -9.454 1.971 -5.053 {"}'M' greentint -9.98 1.215 -4.845 {"}'M' greentint -9.947 1.465 -4.834 {"}'M' greentint -9.851 1.698 -4.824 {"}'M' greentint -9.697 1.898 -4.815 {"}'M' greentint -9.497 2.051 -4.808 {"}'M' greentint -10.007 1.321 -4.581 {"}'M' greentint -9.947 1.564 -4.57 {"}'M' greentint -9.828 1.785 -4.561 {"}'M' greentint -9.658 1.969 -4.553 {"}'M' greentint -9.447 2.105 -4.547 {"}'M' greentint -9.947 1.442 -4.317 {"}'M' greentint -9.851 1.675 -4.306 {"}'M' greentint -9.697 1.875 -4.298 {"}'M' greentint -9.497 2.028 -4.291 {"}'M' greentint -9.798 1.55 -4.07 {"}'M' greentint -9.654 1.765 -4.061 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 43 A}'M' green -9.889 1.274 -5.139 {"}'M' green -10.048 1.099 -4.634 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 43 A}'M' greentint -9.424 1.872 -5.113 {"}'M' greentint -9.54 1.644 -5.123 {"}'M' greentint -9.697 1.442 -5.132 {"}'M' greentint -9.307 2.098 -4.849 {"}'M' greentint -9.377 1.851 -4.86 {"}'M' greentint -9.492 1.62 -4.87 {"}'M' greentint -9.647 1.415 -4.879 {"}'M' greentint -9.837 1.242 -4.887 {"}'M' greentint -9.305 2.095 -4.591 {"}'M' greentint -9.374 1.847 -4.602 {"}'M' greentint -9.487 1.616 -4.612 {"}'M' greentint -9.641 1.41 -4.621 {"}'M' greentint -9.83 1.236 -4.628 {"}'M' greentint -9.355 2.077 -4.337 {"}'M' greentint -9.427 1.831 -4.348 {"}'M' greentint -9.544 1.604 -4.358 {"}'M' greentint -9.702 1.403 -4.367 {"}'M' greentint -9.896 1.235 -4.374 {"}'M' greentint -9.522 1.834 -4.107 {"}'M' greentint -9.644 1.612 -4.116 {"}'M' greentint -9.808 1.419 -4.125 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ile A 46 1wzoA_71F_48G}P -5.943 7.394 -10.059 {"}-5.943 7.394 -10.059 { ca ile A 46 1wzoA_71F_48G}-7.317 6.962 -9.907 { c ile A 46 1wzoA_71F_48G}-7.433 5.809 -8.925 { o ile A 46 1wzoA_71F_48G}-6.814 4.764 -9.122 { c ile A 46 1wzoA_71F_48G}P -7.433 5.809 -8.925 { n leu A 47 1wzoA_71F_48G}-8.214 6.004 -7.867 { ca leu A 47 1wzoA_71F_48G}-8.431 4.944 -6.89 { c leu A 47 1wzoA_71F_48G}-9.894 4.547 -6.902 { o leu A 47 1wzoA_71F_48G}-10.778 5.39 -7.071 { c leu A 47 1wzoA_71F_48G}P -9.894 4.547 -6.902 { n gly A 48 1wzoA_71F_48G}-10.151 3.261 -6.711 { ca gly A 48 1wzoA_71F_48G}-11.524 2.803 -6.669 { c gly A 48 1wzoA_71F_48G}-11.746 2.115 -5.342 { o gly A 48 1wzoA_71F_48G}-10.794 1.866 -4.59 { c gly A 48 1wzoA_71F_48G}P -11.746 2.115 -5.342 { n val A 49 1wzoA_71F_48G}-13.003 1.823 -5.03 { ca val A 49 1wzoA_71F_48G}-13.315 1.128 -3.796 { c val A 49 1wzoA_71F_48G}-14.231 -0.046 -4.125 { o val A 49 1wzoA_71F_48G}-15.244 0.104 -4.812 { c val A 49 1wzoA_71F_48G}P -14.231 -0.046 -4.125 { n ala A 50 1wzoA_71F_48G}-13.85 -1.229 -3.669 { ca ala A 50 1wzoA_71F_48G}-14.652 -2.42 -3.908 { c ala A 50 1wzoA_71F_48G}-15.634 -2.629 -2.754 { o ala A 50 1wzoA_71F_48G}-15.485 -2.043 -1.681 { n ala A 69 1wzoA_71F_48G}P -12 -0.955 0.782 {"}-12 -0.955 0.782 { ca ala A 69 1wzoA_71F_48G}-11.145 -1.872 0.026 { c ala A 69 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lys A 73 1wzoA_71F_48G}-5.726 3.918 -12.537 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ile A 46 1wzoA_71F_48G}P -5.943 7.394 -10.059 { ca ile A 46 1wzoA_71F_48G}P -7.317 6.962 -9.907 { n leu A 47 1wzoA_71F_48G}P -8.214 6.004 -7.867 { ca leu A 47 1wzoA_71F_48G}P -8.431 4.944 -6.89 { n gly A 48 1wzoA_71F_48G}P -10.151 3.261 -6.711 { ca gly A 48 1wzoA_71F_48G}P -11.524 2.803 -6.669 {"}P -11.524 2.803 -6.669 { n val A 49 1wzoA_71F_48G}P -13.003 1.823 -5.03 { ca val A 49 1wzoA_71F_48G}P -13.315 1.128 -3.796 { n ala A 50 1wzoA_71F_48G}P -13.85 -1.229 -3.669 { ca ala A 50 1wzoA_71F_48G}P -14.652 -2.42 -3.908 { n ala A 69 1wzoA_71F_48G}P -12 -0.955 0.782 { ca ala A 69 1wzoA_71F_48G}P -11.145 -1.872 0.026 { n leu A 70 1wzoA_71F_48G}P -9.65 -0.341 -1.101 { ca leu A 70 1wzoA_71F_48G}P -9.115 0.457 -2.195 { n phe A 71 1wzoA_71F_48G}P -8.423 0.109 -4.493 { ca phe A 71 1wzoA_71F_48G}P -7.672 -0.499 -5.586 { n trp A 72 1wzoA_71F_48G}P -6.412 0.29 -7.489 { ca trp A 72 1wzoA_71F_48G}P -5.944 1.248 -8.478 { n lys A 73 1wzoA_71F_48G}P -6.608 2.008 -10.674 { ca lys A 73 1wzoA_71F_48G}P -6.94 1.893 -12.095 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ile A 46 1wzoA_71F_48G}P -7.317 6.962 -9.907 {"}-7.317 6.962 -9.907 { ca leu A 47 1wzoA_71F_48G}-8.431 4.944 -6.89 { ca gly A 48 1wzoA_71F_48G}-11.524 2.803 -6.669 { ca val A 49 1wzoA_71F_48G}-13.315 1.128 -3.796 { ca ala A 50 1wzoA_71F_48G}-14.652 -2.42 -3.908 { ca ala A 69 1wzoA_71F_48G}P -11.145 -1.872 0.026 {"}-11.145 -1.872 0.026 { ca leu A 70 1wzoA_71F_48G}-9.115 0.457 -2.195 { ca phe A 71 1wzoA_71F_48G}-7.672 -0.499 -5.586 { ca trp A 72 1wzoA_71F_48G}-5.944 1.248 -8.478 { ca lys A 73 1wzoA_71F_48G}-6.94 1.893 -12.095 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ile A 46 1wzoA_71F_48G}P -7.317 6.962 -9.907 { ca leu A 47 1wzoA_71F_48G}P -8.431 4.944 -6.89 { ca val A 49 1wzoA_71F_48G}P -13.315 1.128 -3.796 { ca ala A 50 1wzoA_71F_48G}P -14.652 -2.42 -3.908 { ca ala A 69 1wzoA_71F_48G}P -11.145 -1.872 0.026 { ca leu A 70 1wzoA_71F_48G}P -9.115 0.457 -2.195 { ca phe A 71 1wzoA_71F_48G}P -7.672 -0.499 -5.586 { cb phe A 71 1wzoA_71F_48G}-8.413 -1.674 -6.249 { cg phe A 71 1wzoA_71F_48G}-9.686 -1.291 -6.944 { cd1 phe A 71 1wzoA_71F_48G}-10.899 -1.306 -6.259 { ce1 phe A 71 1wzoA_71F_48G}-12.086 -0.953 -6.901 { cz phe A 71 1wzoA_71F_48G}-12.066 -0.58 -8.244 { cg phe A 71 1wzoA_71F_48G}P -9.686 -1.291 -6.944 { cd2 phe A 71 1wzoA_71F_48G}-9.675 -0.917 -8.286 { ce2 phe A 71 1wzoA_71F_48G}-10.861 -0.562 -8.939 { cz phe A 71 1wzoA_71F_48G}ghost -12.066 -0.58 -8.244 { ca trp A 72 1wzoA_71F_48G}P -5.944 1.248 -8.478 { ca lys A 73 1wzoA_71F_48G}P -6.94 1.893 -12.095 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 71 1wzoA_71F_48G}P -8.413 -1.674 -6.249 {"}P -8.413 -1.674 -6.249 { cd1 phe A 71 1wzoA_71F_48G}P -10.899 -1.306 -6.259 { cd2 phe A 71 1wzoA_71F_48G}P -9.675 -0.917 -8.286 { ce1 phe A 71 1wzoA_71F_48G}P -12.086 -0.953 -6.901 { ce2 phe A 71 1wzoA_71F_48G}P -10.861 -0.562 -8.939 { cz phe A 71 1wzoA_71F_48G}P -12.066 -0.58 -8.244 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 71 1wzoA_71F_48G}P -7.672 -0.499 -5.586 { cb phe A 71 1wzoA_71F_48G}-8.413 -1.674 -6.249 { cg phe A 71 1wzoA_71F_48G}-9.686 -1.291 -6.944 { cd1 phe A 71 1wzoA_71F_48G}-10.899 -1.306 -6.259 { ce1 phe A 71 1wzoA_71F_48G}-12.086 -0.953 -6.901 { cz phe A 71 1wzoA_71F_48G}-12.066 -0.58 -8.244 { cg phe A 71 1wzoA_71F_48G}P -9.686 -1.291 -6.944 { cd2 phe A 71 1wzoA_71F_48G}-9.675 -0.917 -8.286 { ce2 phe A 71 1wzoA_71F_48G}-10.861 -0.562 -8.939 { cz phe A 71 1wzoA_71F_48G}ghost -12.066 -0.58 -8.244 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 71 1wzoA_71F_48G}P -8.413 -1.674 -6.249 {"}P -8.413 -1.674 -6.249 { cd1 phe A 71 1wzoA_71F_48G}P -10.899 -1.306 -6.259 { cd2 phe A 71 1wzoA_71F_48G}P -9.675 -0.917 -8.286 { ce1 phe A 71 1wzoA_71F_48G}P -12.086 -0.953 -6.901 { ce2 phe A 71 1wzoA_71F_48G}P -10.861 -0.562 -8.939 { cz phe A 71 1wzoA_71F_48G}P -12.066 -0.58 -8.244 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 71 A}'P' sky -12.216 0.791 -6.956 {"}'P' sky -11.956 0.791 -6.956 {"}'P' sky -11.698 0.752 -6.957 {"}'P' blue -11.448 0.676 -6.961 { CE2 PHE 71 A}'P' sky -11.313 1.065 -8.478 {"}'P' blue -11.057 1.114 -8.476 {"}'P' sky -11.124 1.016 -8.23 {"}'P' blue -10.869 1.038 -8.229 {"}'P' sky -11.054 0.902 -7.999 {"}'P' blue -10.797 0.913 -7.999 { CZ PHE 71 A}'P' sky -12.577 0.937 -7.538 @dotlist {x} color= white width= 1 master= {vdw contact} { CZ PHE 71 A}'P' sea -12.196 1.164 -8.299 {"}'P' green -11.936 1.164 -8.299 {"}'P' green -11.678 1.125 -8.3 {"}'P' sea -11.428 1.049 -8.304 {"}'P' sea -12.462 1.112 -8.039 {"}'P' green -12.205 1.152 -8.037 {"}'P' green -11.436 1.04 -8.042 {"}'P' sea -11.201 0.928 -8.047 {"}'P' sea -12.518 1.047 -7.783 {"}'P' green -12.262 1.096 -7.781 {"}'P' sea -11.251 0.9 -7.79 {"}'P' green -12.329 0.998 -7.535 {"}'P' green -11.57 0.942 -7.538 {"}'P' sea -11.334 0.846 -7.542 {"}'P' sea -12.259 0.884 -7.304 {"}'P' green -12.002 0.895 -7.304 {"}'P' green -11.747 0.862 -7.305 {"}'P' sea -11.501 0.787 -7.308 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 71 A}'P' P -11.944 1.153 -8.037 {"}'P' -11.946 1.128 -8.04 {"}'P' P -11.686 1.116 -8.039 {"}'P' -11.69 1.097 -8.041 {"}'P' P -12.001 1.106 -7.781 {"}'P' -12.002 1.062 -7.793 {"}'P' P -11.741 1.076 -7.782 {"}'P' -11.75 1.03 -7.795 {"}'P' P -11.489 1.007 -7.785 {"}'P' -11.49 1.004 -7.786 {"}'P' P -12.074 1.02 -7.534 {"}'P' -12.074 1.008 -7.539 {"}'P' P -11.819 1.001 -7.535 {"}'P' -11.823 0.975 -7.546 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 48 A}'P' blue -11.12 1.457 -8.259 {"}'P' sky -11.126 1.265 -8.045 {"}'P' blue -11.007 1.235 -7.799 {"}'P' sky -11.177 1.077 -7.545 {"}'P' sky -11.598 1.042 -7.038 {"}'P' sky -11.852 1.042 -7.038 {"}'P' sky -12.099 1.103 -7.036 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 48 A}'P' green -11.587 1.238 -8.268 {"}'P' green -11.847 1.236 -8.268 {"}'P' green -12.097 1.307 -8.265 {"}'P' green -11.351 1.147 -8.05 {"}'P' green -12.324 1.265 -8.045 {"}'P' sea -11.223 1.098 -7.805 {"}'P' green -11.463 1.012 -7.809 {"}'P' green -12.43 1.225 -7.799 {"}'P' green -11.412 0.984 -7.549 {"}'P' green -12.158 1.024 -7.547 {"}'P' green -12.382 1.143 -7.542 {"}'P' sea -11.463 0.989 -7.288 {"}'P' green -11.717 0.959 -7.29 {"}'P' green -11.971 0.986 -7.288 {"}'P' sea -12.213 1.068 -7.285 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 48 A}'P' P -11.598 1.087 -8.053 {"}'P' -11.598 1.09 -8.051 {"}'P' P -11.852 1.087 -8.053 {"}'P' -11.849 1.112 -8.039 {"}'P' P -12.099 1.147 -8.05 {"}'P' -12.097 1.152 -8.047 {"}'P' P -11.717 0.982 -7.81 {"}'P' -11.717 1.026 -7.798 {"}'P' P -11.971 1.009 -7.809 {"}'P' -11.96 1.056 -7.795 {"}'P' P -12.213 1.091 -7.805 {"}'P' -12.209 1.098 -7.803 {"}'P' P -11.662 0.943 -7.551 {"}'P' -11.662 0.957 -7.55 {"}'P' P -11.914 0.957 -7.55 {"}'P' -11.91 0.985 -7.549 @subgroup {1->2} dominant @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { O PHE 71 A}'M' P -9.127 2.408 -6.687 {"}'M' -9.116 2.401 -6.686 {"}'M' P -9.132 2.39 -6.429 {"}'M' -9.131 2.389 -6.429 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 71 A}'M' greentint -9.189 1.823 -7.208 {"}'M' greentint -9.138 2.071 -7.197 {"}'M' greentint -9.038 2.304 -7.187 {"}'M' greentint -8.893 2.512 -7.178 {"}'M' greentint -8.709 2.686 -7.17 {"}'M' greentint -9.283 1.805 -6.968 {"}'M' greentint -9.236 2.057 -6.957 {"}'M' greentint -9.143 2.295 -6.946 {"}'M' greentint -9.005 2.511 -6.937 {"}'M' greentint -8.83 2.697 -6.929 {"}'M' greentint -8.622 2.847 -6.922 {"}'M' greentint -9.336 1.675 -6.719 {"}'M' greentint -9.312 1.931 -6.708 {"}'M' greentint -9.242 2.178 -6.697 {"}'M' greentint -8.972 2.613 -6.678 {"}'M' greentint -8.782 2.786 -6.671 {"}'M' greentint -8.563 2.921 -6.665 {"}'M' greentint -9.336 1.655 -6.461 {"}'M' greentint -9.314 1.911 -6.45 {"}'M' greentint -9.245 2.159 -6.439 {"}'M' greentint -8.978 2.596 -6.42 {"}'M' greentint -8.789 2.77 -6.413 {"}'M' greentint -8.571 2.906 -6.407 {"}'M' greentint -9.282 1.78 -6.202 {"}'M' greentint -9.234 2.031 -6.191 {"}'M' greentint -9.139 2.269 -6.18 {"}'M' greentint -9 2.484 -6.171 {"}'M' greentint -8.824 2.669 -6.163 {"}'M' greentint -8.615 2.817 -6.156 {"}'M' greentint -9.14 2.009 -5.951 {"}'M' greentint -9.042 2.242 -5.94 {"}'M' greentint -8.898 2.451 -5.931 @subgroup {2->1} dominant @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { H GLY 48 A}'M' P -8.579 2.076 -6.61 {"}'M' -8.598 2.086 -6.609 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 48 A}'M' greentint -8.8 2.326 -7.307 {"}'M' greentint -8.936 2.105 -7.316 {"}'M' greentint -8.629 2.325 -7.099 {"}'M' greentint -8.739 2.091 -7.11 {"}'M' greentint -8.913 1.901 -7.118 {"}'M' greentint -9.135 1.769 -7.124 {"}'M' greentint -8.593 2.58 -7.088 {"}'M' greentint -8.526 2.312 -6.858 {"}'M' greentint -8.622 2.079 -6.869 {"}'M' greentint -8.776 1.879 -6.877 {"}'M' greentint -8.976 1.726 -6.884 {"}'M' greentint -9.209 1.629 -6.888 {"}'M' greentint -8.526 2.811 -6.837 {"}'M' greentint -8.493 2.561 -6.848 {"}'M' greentint -8.488 2.309 -6.6 {"}'M' greentint -8.725 1.872 -6.619 {"}'M' greentint -8.916 1.711 -6.626 {"}'M' greentint -9.142 1.602 -6.63 {"}'M' greentint -8.492 2.806 -6.578 {"}'M' greentint -8.459 2.558 -6.589 {"}'M' greentint -8.526 2.289 -6.341 {"}'M' greentint -8.622 2.056 -6.351 {"}'M' greentint -8.776 1.856 -6.36 {"}'M' greentint -8.976 1.703 -6.367 {"}'M' greentint -9.209 1.607 -6.371 {"}'M' greentint -8.526 2.788 -6.32 {"}'M' greentint -8.493 2.539 -6.33 {"}'M' greentint -8.629 2.281 -6.1 {"}'M' greentint -8.739 2.048 -6.11 {"}'M' greentint -8.913 1.857 -6.119 {"}'M' greentint -9.135 1.726 -6.125 {"}'M' greentint -8.593 2.536 -6.089 {"}'M' greentint -8.8 2.264 -5.894 {"}'M' greentint -8.936 2.043 -5.903 {"}'M' greentint -9.144 1.887 -5.91 {"}'M' greentint -8.752 2.519 -5.883 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 71 A}'M' green -9.867 1.014 -5.266 {"}'M' green -9.449 1.594 -4.24 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 71 A}'M' greentint -9.793 1.261 -5.255 {"}'M' greentint -9.649 1.475 -5.246 {"}'M' greentint -9.975 0.882 -5.031 {"}'M' greentint -9.942 1.132 -5.02 {"}'M' greentint -9.846 1.365 -5.01 {"}'M' greentint -9.692 1.565 -5.001 {"}'M' greentint -9.492 1.718 -4.994 {"}'M' greentint -10 0.738 -4.778 {"}'M' greentint -10.002 0.988 -4.767 {"}'M' greentint -9.942 1.231 -4.756 {"}'M' greentint -9.823 1.452 -4.747 {"}'M' greentint -9.653 1.636 -4.739 {"}'M' greentint -9.442 1.772 -4.733 {"}'M' greentint -9.975 0.86 -4.513 {"}'M' greentint -9.942 1.109 -4.503 {"}'M' greentint -9.846 1.342 -4.492 {"}'M' greentint -9.692 1.542 -4.484 {"}'M' greentint -9.492 1.695 -4.477 {"}'M' greentint -9.867 0.97 -4.267 {"}'M' greentint -9.793 1.217 -4.256 {"}'M' greentint -9.649 1.432 -4.247 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 48 A}'M' green -9.566 1.641 -5.224 {"}'M' green -9.931 0.986 -5.253 {"}'M' green -10.006 0.792 -5.02 {"}'M' green -9.472 1.595 -4.218 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 48 A}'M' greentint -9.642 1.399 -5.235 {"}'M' greentint -9.765 1.178 -5.245 {"}'M' greentint -9.47 1.636 -4.984 {"}'M' greentint -9.541 1.39 -4.994 {"}'M' greentint -9.657 1.162 -5.004 {"}'M' greentint -9.814 0.96 -5.013 {"}'M' greentint -9.424 1.616 -4.73 {"}'M' greentint -9.494 1.369 -4.741 {"}'M' greentint -9.609 1.138 -4.751 {"}'M' greentint -9.764 0.933 -4.76 {"}'M' greentint -9.954 0.76 -4.768 {"}'M' greentint -9.422 1.613 -4.472 {"}'M' greentint -9.491 1.365 -4.483 {"}'M' greentint -9.604 1.134 -4.493 {"}'M' greentint -9.758 0.928 -4.502 {"}'M' greentint -9.947 0.754 -4.509 {"}'M' greentint -9.544 1.349 -4.229 {"}'M' greentint -9.661 1.122 -4.239 {"}'M' greentint -9.819 0.921 -4.248 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ala A 520 1x1iA_640Y_522}P -8.686 5.118 -12.855 {"}-8.686 5.118 -12.855 { ca ala A 520 1x1iA_640Y_522}-9.844 4.755 -12.053 { c ala A 520 1x1iA_640Y_522}-9.386 4.433 -10.637 { o ala A 520 1x1iA_640Y_522}-8.503 3.6 -10.44 { c ala A 520 1x1iA_640Y_522}P -9.386 4.433 -10.637 { n leu A 521 1x1iA_640Y_522}-9.98 5.108 -9.656 { ca leu A 521 1x1iA_640Y_522}-9.633 4.886 -8.258 { c leu A 521 1x1iA_640Y_522}-10.86 4.507 -7.448 { o leu A 521 1x1iA_640Y_522}-11.956 5.026 -7.666 { c leu A 521 1x1iA_640Y_522}P -10.86 4.507 -7.448 { n gly A 522 1x1iA_640Y_522}-10.662 3.606 -6.498 { ca gly A 522 1x1iA_640Y_522}-11.755 3.186 -5.647 { c gly A 522 1x1iA_640Y_522}-11.245 3.142 -4.225 { o gly A 522 1x1iA_640Y_522}-10.129 2.685 -3.985 { c gly A 522 1x1iA_640Y_522}P -11.245 3.142 -4.225 { n ser A 523 1x1iA_640Y_522}-12.045 3.633 -3.283 { ca ser A 523 1x1iA_640Y_522}-11.641 3.63 -1.882 { c ser A 523 1x1iA_640Y_522}-12.841 3.408 -0.973 { o ser A 523 1x1iA_640Y_522}-13.984 3.453 -1.419 { c ser A 523 1x1iA_640Y_522}P -12.841 3.408 -0.973 { n gly A 524 1x1iA_640Y_522}-12.568 3.165 0.305 { ca gly A 524 1x1iA_640Y_522}-13.631 2.952 1.27 { c gly A 524 1x1iA_640Y_522}-14.612 1.866 0.879 { o gly A 524 1x1iA_640Y_522}-15.794 1.953 1.2 { n ala A 638 1x1iA_640Y_522}P -11.582 -1.356 1.564 {"}-11.582 -1.356 1.564 { ca ala A 638 1x1iA_640Y_522}-10.773 -1.868 0.464 { c ala A 638 1x1iA_640Y_522}-10.626 -0.771 -0.593 { o ala A 638 1x1iA_640Y_522}-11.334 0.24 -0.559 { c ala A 638 1x1iA_640Y_522}P -10.626 -0.771 -0.593 { n ser A 639 1x1iA_640Y_522}-9.708 -0.97 -1.531 { ca ser A 639 1x1iA_640Y_522}-9.469 0.028 -2.564 { c ser A 639 1x1iA_640Y_522}-8.874 -0.606 -3.808 { o ser A 639 1x1iA_640Y_522}-8.51 -1.781 -3.805 { c ser A 639 1x1iA_640Y_522}P -8.874 -0.606 -3.808 { n tyr A 640 1x1iA_640Y_522}-8.796 0.182 -4.875 { ca tyr A 640 1x1iA_640Y_522}-8.21 -0.259 -6.135 { c tyr A 640 1x1iA_640Y_522}-7.728 0.958 -6.906 { o tyr A 640 1x1iA_640Y_522}-8.121 2.094 -6.621 { c tyr A 640 1x1iA_640Y_522}P -7.728 0.958 -6.906 { n gly A 641 1x1iA_640Y_522}-6.877 0.706 -7.888 { ca gly A 641 1x1iA_640Y_522}-6.362 1.776 -8.713 { c gly A 641 1x1iA_640Y_522}-5.777 1.205 -9.985 { o gly A 641 1x1iA_640Y_522}-4.887 0.352 -9.938 { c gly A 641 1x1iA_640Y_522}P -5.777 1.205 -9.985 { n tyr A 642 1x1iA_640Y_522}-6.297 1.638 -11.127 { ca tyr A 642 1x1iA_640Y_522}-5.771 1.166 -12.401 { c tyr A 642 1x1iA_640Y_522}-5.839 2.26 -13.444 { o tyr A 642 1x1iA_640Y_522}-6.602 3.218 -13.312 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ala A 520 1x1iA_640Y_522}P -8.686 5.118 -12.855 { ca ala A 520 1x1iA_640Y_522}P -9.844 4.755 -12.053 { n leu A 521 1x1iA_640Y_522}P -9.98 5.108 -9.656 { ca leu A 521 1x1iA_640Y_522}P -9.633 4.886 -8.258 { n gly A 522 1x1iA_640Y_522}P -10.662 3.606 -6.498 { ca gly A 522 1x1iA_640Y_522}P -11.755 3.186 -5.647 {"}P -11.755 3.186 -5.647 { n ser A 523 1x1iA_640Y_522}P -12.045 3.633 -3.283 { ca ser A 523 1x1iA_640Y_522}P -11.641 3.63 -1.882 { n gly A 524 1x1iA_640Y_522}P -12.568 3.165 0.305 { ca gly A 524 1x1iA_640Y_522}P -13.631 2.952 1.27 {"}P -13.631 2.952 1.27 { n ala A 638 1x1iA_640Y_522}P -11.582 -1.356 1.564 { ca ala A 638 1x1iA_640Y_522}P -10.773 -1.868 0.464 { n ser A 639 1x1iA_640Y_522}P -9.708 -0.97 -1.531 { ca ser A 639 1x1iA_640Y_522}P -9.469 0.028 -2.564 { n tyr A 640 1x1iA_640Y_522}P -8.796 0.182 -4.875 { ca tyr A 640 1x1iA_640Y_522}P -8.21 -0.259 -6.135 { n gly A 641 1x1iA_640Y_522}P -6.877 0.706 -7.888 { ca gly A 641 1x1iA_640Y_522}P -6.362 1.776 -8.713 {"}P -6.362 1.776 -8.713 { n tyr A 642 1x1iA_640Y_522}P -6.297 1.638 -11.127 { ca tyr A 642 1x1iA_640Y_522}P -5.771 1.166 -12.401 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ala A 520 1x1iA_640Y_522}P -9.844 4.755 -12.053 {"}-9.844 4.755 -12.053 { ca leu A 521 1x1iA_640Y_522}-9.633 4.886 -8.258 { ca gly A 522 1x1iA_640Y_522}-11.755 3.186 -5.647 { ca ser A 523 1x1iA_640Y_522}-11.641 3.63 -1.882 { ca gly A 524 1x1iA_640Y_522}-13.631 2.952 1.27 { ca ala A 638 1x1iA_640Y_522}P -10.773 -1.868 0.464 {"}-10.773 -1.868 0.464 { ca ser A 639 1x1iA_640Y_522}-9.469 0.028 -2.564 { ca tyr A 640 1x1iA_640Y_522}-8.21 -0.259 -6.135 { ca gly A 641 1x1iA_640Y_522}-6.362 1.776 -8.713 { ca tyr A 642 1x1iA_640Y_522}-5.771 1.166 -12.401 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ala A 520 1x1iA_640Y_522}P -9.844 4.755 -12.053 { ca leu A 521 1x1iA_640Y_522}P -9.633 4.886 -8.258 { ca ser A 523 1x1iA_640Y_522}P -11.641 3.63 -1.882 { ca ala A 638 1x1iA_640Y_522}P -10.773 -1.868 0.464 { ca ser A 639 1x1iA_640Y_522}P -9.469 0.028 -2.564 { ca tyr A 640 1x1iA_640Y_522}P -8.21 -0.259 -6.135 { cb tyr A 640 1x1iA_640Y_522}-9.222 -1.034 -6.991 { cg tyr A 640 1x1iA_640Y_522}-10.381 -0.211 -7.506 { cd1 tyr A 640 1x1iA_640Y_522}-10.216 0.697 -8.56 { ce1 tyr A 640 1x1iA_640Y_522}-11.284 1.487 -9.008 { cz tyr A 640 1x1iA_640Y_522}-12.527 1.363 -8.398 { oh tyr A 640 1x1iA_640Y_522}-13.577 2.157 -8.788 { cg tyr A 640 1x1iA_640Y_522}P -10.381 -0.211 -7.506 { cd2 tyr A 640 1x1iA_640Y_522}-11.639 -0.315 -6.921 { ce2 tyr A 640 1x1iA_640Y_522}-12.712 0.464 -7.361 { cz tyr A 640 1x1iA_640Y_522}ghost -12.527 1.363 -8.398 { ca tyr A 642 1x1iA_640Y_522}P -5.771 1.166 -12.401 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 640 1x1iA_640Y_522}P -9.222 -1.034 -6.991 {"}P -9.222 -1.034 -6.991 { cd1 tyr A 640 1x1iA_640Y_522}P -10.216 0.697 -8.56 { cd2 tyr A 640 1x1iA_640Y_522}P -11.639 -0.315 -6.921 { ce1 tyr A 640 1x1iA_640Y_522}P -11.284 1.487 -9.008 { ce2 tyr A 640 1x1iA_640Y_522}P -12.712 0.464 -7.361 { oh tyr A 640 1x1iA_640Y_522}P -13.577 2.157 -8.788 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 640 1x1iA_640Y_522}P -8.21 -0.259 -6.135 { cb tyr A 640 1x1iA_640Y_522}-9.222 -1.034 -6.991 { cg tyr A 640 1x1iA_640Y_522}-10.381 -0.211 -7.506 { cd1 tyr A 640 1x1iA_640Y_522}-10.216 0.697 -8.56 { ce1 tyr A 640 1x1iA_640Y_522}-11.284 1.487 -9.008 { cz tyr A 640 1x1iA_640Y_522}-12.527 1.363 -8.398 { oh tyr A 640 1x1iA_640Y_522}-13.577 2.157 -8.788 { cg tyr A 640 1x1iA_640Y_522}P -10.381 -0.211 -7.506 { cd2 tyr A 640 1x1iA_640Y_522}-11.639 -0.315 -6.921 { ce2 tyr A 640 1x1iA_640Y_522}-12.712 0.464 -7.361 { cz tyr A 640 1x1iA_640Y_522}ghost -12.527 1.363 -8.398 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 640 1x1iA_640Y_522}P -9.222 -1.034 -6.991 {"}P -9.222 -1.034 -6.991 { cd1 tyr A 640 1x1iA_640Y_522}P -10.216 0.697 -8.56 { cd2 tyr A 640 1x1iA_640Y_522}P -11.639 -0.315 -6.921 { ce1 tyr A 640 1x1iA_640Y_522}P -11.284 1.487 -9.008 { ce2 tyr A 640 1x1iA_640Y_522}P -12.712 0.464 -7.361 { oh tyr A 640 1x1iA_640Y_522}P -13.577 2.157 -8.788 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CD2 TYR 640 A}'P' green -11.314 1.341 -6.459 {"}'P' green -11.392 1.266 -6.212 {"}'P' green -11.575 1.16 -5.981 {"}'P' sea -11.32 1.127 -5.982 {"}'P' green -12.094 0.926 -5.775 {"}'P' green -11.842 0.989 -5.772 {"}'P' sea -11.582 1.003 -5.771 { CZ TYR 640 A}'P' green -11.579 2.027 -7.085 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CD2 TYR 640 A}'P' P -11.647 1.285 -6.211 {"}'P' -11.647 1.235 -6.233 {"}'P' P -11.832 1.149 -5.981 {"}'P' -11.827 1.115 -6.003 { CE2 TYR 640 A}'P' P -11.678 1.803 -6.913 {"}'P' -11.69 1.787 -6.918 {"}'P' P -12.975 2.042 -6.652 {"}'P' -12.97 2.015 -6.664 {"}'P' P -12.72 2.064 -6.651 {"}'P' -12.72 1.952 -6.701 {"}'P' P -12.465 2.045 -6.652 {"}'P' -12.492 1.873 -6.729 {"}'P' P -11.98 1.89 -6.659 {"}'P' -12.061 1.732 -6.737 {"}'P' P -11.761 1.758 -6.665 {"}'P' -11.832 1.662 -6.716 {"}'P' P -11.566 1.593 -6.672 {"}'P' -11.592 1.567 -6.687 {"}'P' P -12.905 1.928 -6.421 {"}'P' -12.892 1.835 -6.481 {"}'P' P -11.711 1.562 -6.437 {"}'P' -11.788 1.477 -6.509 {"}'P' P -11.533 1.377 -6.445 {"}'P' -11.548 1.365 -6.457 {"}'P' P -12.915 1.768 -6.212 {"}'P' -12.901 1.681 -6.289 {"}'P' P -11.728 1.366 -6.229 {"}'P' -11.786 1.312 -6.297 {"}'P' P -12.905 1.582 -6.028 {"}'P' -12.895 1.526 -6.094 {"}'P' P -12.648 1.595 -6.028 {"}'P' -12.654 1.476 -6.168 {"}'P' P -11.941 1.314 -6.04 {"}'P' -12 1.25 -6.14 {"}'P' P -12.72 1.386 -5.873 {"}'P' -12.72 1.343 -5.942 {"}'P' P -12.465 1.354 -5.875 {"}'P' -12.483 1.289 -5.984 {"}'P' P -12.226 1.258 -5.879 {"}'P' -12.257 1.207 -5.973 {"}'P' P -12.021 1.103 -5.886 {"}'P' -12.034 1.091 -5.915 {"}'P' P -12.58 1.142 -5.753 {"}'P' -12.58 1.142 -5.755 { CZ TYR 640 A}'P' P -12.79 2.249 -6.912 {"}'P' -12.79 2.248 -6.913 {"}'P' P -12.535 2.285 -6.91 {"}'P' -12.535 2.251 -6.964 {"}'P' P -12.28 2.253 -6.912 {"}'P' -12.294 2.203 -6.996 {"}'P' P -12.041 2.157 -6.916 {"}'P' -12.07 2.111 -7.003 {"}'P' P -11.836 2.002 -6.923 {"}'P' -11.864 1.976 -6.982 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { CE2 TYR 640 A}'P' P -12.216 1.986 -6.655 {"}'P' -12.278 1.798 -6.742 {"}'P' P -12.648 1.939 -6.421 {"}'P' -12.655 1.76 -6.535 {"}'P' P -12.393 1.906 -6.422 {"}'P' -12.444 1.676 -6.572 {"}'P' P -12.147 1.831 -6.425 {"}'P' -12.239 1.607 -6.579 {"}'P' P -11.917 1.715 -6.431 {"}'P' -12.022 1.55 -6.553 {"}'P' P -12.655 1.782 -6.211 {"}'P' -12.662 1.613 -6.359 {"}'P' P -12.397 1.747 -6.213 {"}'P' -12.45 1.533 -6.404 {"}'P' P -12.151 1.663 -6.216 {"}'P' -12.243 1.466 -6.405 {"}'P' P -11.925 1.535 -6.222 {"}'P' -12.021 1.404 -6.361 {"}'P' P -12.394 1.554 -6.029 {"}'P' -12.436 1.408 -6.208 {"}'P' P -12.154 1.459 -6.034 {"}'P' -12.222 1.337 -6.195 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 522 A}'P' green -12.854 2.237 -6.869 {"}'P' sea -11.336 1.521 -6.493 {"}'P' green -11.407 1.322 -6.254 {"}'P' green -11.368 1.306 -5.994 {"}'P' green -11.623 1.162 -5.74 {"}'P' green -11.863 1.076 -5.743 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 522 A}'P' P -12.125 2.248 -7.124 {"}'P' -12.125 2.245 -7.05 {"}'P' P -11.995 2.022 -7.104 {"}'P' -12.006 2.037 -7.004 {"}'P' P -12.255 2.022 -7.104 {"}'P' -12.24 2.042 -6.97 {"}'P' P -12.385 2.247 -7.095 {"}'P' -12.367 2.243 -7.012 {"}'P' P -11.681 1.997 -7.019 {"}'P' -11.684 1.998 -7.013 {"}'P' P -11.864 1.808 -7.027 {"}'P' -11.882 1.835 -6.952 {"}'P' P -12.117 1.736 -7.03 {"}'P' -12.118 1.796 -6.889 {"}'P' P -12.371 1.8 -7.027 {"}'P' -12.337 1.856 -6.875 {"}'P' P -12.56 1.982 -7.02 {"}'P' -12.516 2.004 -6.911 {"}'P' P -12.633 2.235 -7.008 {"}'P' -12.609 2.233 -6.961 {"}'P' P -11.76 1.606 -6.896 {"}'P' -11.79 1.654 -6.819 {"}'P' P -11.998 1.519 -6.9 {"}'P' -12.02 1.634 -6.741 {"}'P' P -12.684 1.768 -6.889 {"}'P' -12.597 1.835 -6.745 {"}'P' P -12.81 1.988 -6.88 {"}'P' -12.767 2.001 -6.821 {"}'P' P -11.52 1.544 -6.714 {"}'P' -11.524 1.548 -6.708 {"}'P' P -11.737 1.401 -6.72 {"}'P' -11.779 1.487 -6.637 {"}'P' P -12.89 1.728 -6.706 {"}'P' -12.787 1.791 -6.605 {"}'P' P -13 1.963 -6.695 {"}'P' -12.969 1.972 -6.669 {"}'P' P -11.526 1.352 -6.5 {"}'P' -11.535 1.366 -6.492 {"}'P' P -11.751 1.234 -6.505 {"}'P' -11.791 1.337 -6.446 {"}'P' P -12.914 1.521 -6.493 {"}'P' -12.79 1.627 -6.408 {"}'P' P -13.058 1.73 -6.484 {"}'P' -12.99 1.764 -6.445 {"}'P' P -11.623 1.185 -6.26 {"}'P' -11.646 1.233 -6.245 {"}'P' P -11.863 1.099 -6.264 {"}'P' -11.888 1.204 -6.234 {"}'P' P -12.117 1.069 -6.265 {"}'P' -12.118 1.244 -6.217 {"}'P' P -12.83 1.312 -6.254 {"}'P' -12.724 1.445 -6.209 {"}'P' P -13.012 1.491 -6.246 {"}'P' -12.934 1.553 -6.221 {"}'P' P -13.149 1.707 -6.237 {"}'P' -13.141 1.71 -6.235 {"}'P' P -11.577 1.164 -6 {"}'P' -11.578 1.167 -6 {"}'P' P -11.812 1.071 -6.004 {"}'P' -11.823 1.109 -6.003 {"}'P' P -12.062 1.03 -6.006 {"}'P' -12.066 1.102 -6.003 {"}'P' P -12.314 1.044 -6.005 {"}'P' -12.296 1.153 -6.001 {"}'P' P -12.558 1.111 -6.002 {"}'P' -12.514 1.221 -5.998 {"}'P' P -12.782 1.23 -5.997 {"}'P' -12.73 1.306 -5.994 {"}'P' P -12.974 1.393 -5.99 {"}'P' -12.948 1.418 -5.989 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { HA3 GLY 522 A}'P' P -12.252 1.519 -6.9 {"}'P' -12.224 1.667 -6.694 {"}'P' P -12.49 1.606 -6.896 {"}'P' -12.412 1.731 -6.696 {"}'P' P -11.987 1.325 -6.723 {"}'P' -12.014 1.495 -6.574 {"}'P' P -12.247 1.323 -6.723 {"}'P' -12.217 1.541 -6.532 {"}'P' P -12.497 1.394 -6.72 {"}'P' -12.402 1.6 -6.524 {"}'P' P -12.718 1.533 -6.714 {"}'P' -12.591 1.675 -6.552 {"}'P' P -11.998 1.174 -6.508 {"}'P' -12.021 1.362 -6.406 {"}'P' P -12.252 1.174 -6.508 {"}'P' -12.222 1.414 -6.378 {"}'P' P -12.499 1.234 -6.505 {"}'P' -12.406 1.473 -6.369 {"}'P' P -12.724 1.352 -6.5 {"}'P' -12.593 1.538 -6.381 {"}'P' P -12.371 1.096 -6.264 {"}'P' -12.325 1.302 -6.206 {"}'P' P -12.613 1.178 -6.26 {"}'P' -12.522 1.367 -6.204 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 640 A}'M' green -9.415 2.482 -6.988 {"}'M' green -9.009 3.122 -6.96 {"}'M' green -9.461 2.205 -6.233 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 640 A}'M' greentint -9.322 2.72 -6.977 {"}'M' greentint -9.184 2.936 -6.968 {"}'M' greentint -9.491 2.356 -6.739 {"}'M' greentint -9.421 2.603 -6.728 {"}'M' greentint -9.306 2.833 -6.718 {"}'M' greentint -9.151 3.038 -6.709 {"}'M' greentint -8.961 3.211 -6.702 {"}'M' greentint -9.493 2.336 -6.481 {"}'M' greentint -9.424 2.584 -6.47 {"}'M' greentint -9.311 2.815 -6.46 {"}'M' greentint -9.157 3.021 -6.451 {"}'M' greentint -8.968 3.195 -6.444 {"}'M' greentint -9.413 2.456 -6.222 {"}'M' greentint -9.318 2.694 -6.211 {"}'M' greentint -9.179 2.909 -6.202 {"}'M' greentint -9.003 3.094 -6.194 {"}'M' greentint -8.794 3.242 -6.187 {"}'M' greentint -9.319 2.434 -5.982 {"}'M' greentint -9.221 2.667 -5.971 {"}'M' greentint -9.077 2.876 -5.962 {"}'M' greentint -8.894 3.052 -5.955 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 522 A}'M' greentint -9.125 2.943 -7.024 {"}'M' greentint -9.261 2.722 -7.033 {"}'M' greentint -8.954 2.942 -6.816 {"}'M' greentint -9.064 2.708 -6.827 {"}'M' greentint -9.238 2.518 -6.835 {"}'M' greentint -9.46 2.386 -6.841 {"}'M' greentint -8.918 3.197 -6.805 {"}'M' greentint -8.851 2.929 -6.575 {"}'M' greentint -8.947 2.696 -6.586 {"}'M' greentint -9.101 2.496 -6.594 {"}'M' greentint -9.301 2.343 -6.601 {"}'M' greentint -8.818 3.178 -6.565 {"}'M' greentint -8.813 2.926 -6.317 {"}'M' greentint -8.904 2.693 -6.327 {"}'M' greentint -9.05 2.489 -6.336 {"}'M' greentint -9.241 2.328 -6.343 {"}'M' greentint -9.467 2.219 -6.347 {"}'M' greentint -8.784 3.175 -6.306 {"}'M' greentint -8.851 2.906 -6.058 {"}'M' greentint -8.947 2.673 -6.068 {"}'M' greentint -9.101 2.473 -6.077 {"}'M' greentint -9.301 2.32 -6.084 {"}'M' greentint -8.818 3.156 -6.047 {"}'M' greentint -9.064 2.665 -5.827 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 640 A}'M' green -9.613 1.972 -5.114 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 640 A}'M' greentint -9.944 1.706 -4.867 {"}'M' greentint -9.774 1.89 -4.859 {"}'M' greentint -9.563 2.026 -4.853 {"}'M' greentint -9.325 2.105 -4.849 {"}'M' greentint -9.967 1.596 -4.612 {"}'M' greentint -9.813 1.796 -4.604 {"}'M' greentint -9.613 1.949 -4.597 {"}'M' greentint -9.38 2.046 -4.593 {"}'M' greentint -9.13 2.079 -4.591 {"}'M' greentint -9.914 1.471 -4.376 {"}'M' greentint -9.77 1.686 -4.367 {"}'M' greentint -9.57 1.848 -4.36 {"}'M' greentint -9.331 1.945 -4.356 {"}'M' greentint -9.074 1.967 -4.355 {"}'M' greentint -9.731 1.466 -4.169 {"}'M' greentint -9.556 1.658 -4.161 {"}'M' greentint -9.324 1.774 -4.156 {"}'M' greentint -9.065 1.798 -4.155 {"}'M' greentint -9.387 1.516 -4.008 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 522 A}'M' green -9.937 1.808 -5.059 {"}'M' green -10.057 1.358 -4.426 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 522 A}'M' greentint -9.485 2.041 -5.049 {"}'M' greentint -9.695 1.893 -5.055 {"}'M' greentint -9.268 2.011 -4.859 {"}'M' greentint -9.455 1.831 -4.867 {"}'M' greentint -9.679 1.7 -4.872 {"}'M' greentint -9.927 1.624 -4.876 {"}'M' greentint -9.1 1.997 -4.64 {"}'M' greentint -9.266 1.805 -4.648 {"}'M' greentint -9.466 1.65 -4.655 {"}'M' greentint -9.694 1.538 -4.66 {"}'M' greentint -9.939 1.475 -4.662 {"}'M' greentint -8.992 1.981 -4.399 {"}'M' greentint -9.149 1.779 -4.408 {"}'M' greentint -9.341 1.611 -4.415 {"}'M' greentint -9.562 1.481 -4.421 {"}'M' greentint -9.804 1.396 -4.425 {"}'M' greentint -9.099 1.752 -4.155 {"}'M' greentint -9.289 1.579 -4.163 {"}'M' greentint -9.508 1.444 -4.168 {"}'M' greentint -9.748 1.351 -4.173 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n val A 29 1xsoA_95F_31G}P -8.881 4.427 -13.024 {"}-8.881 4.427 -13.024 { ca val A 29 1xsoA_95F_31G}-9.936 4.041 -12.128 { c val A 29 1xsoA_95F_31G}-9.387 3.948 -10.692 { o val A 29 1xsoA_95F_31G}-8.461 3.23 -10.434 { c val A 29 1xsoA_95F_31G}P -9.387 3.948 -10.692 { n glu A 30 1xsoA_95F_31G}-10.004 4.773 -9.82 { ca glu A 30 1xsoA_95F_31G}-9.598 4.786 -8.427 { c glu A 30 1xsoA_95F_31G}-10.868 4.681 -7.56 { o glu A 30 1xsoA_95F_31G}-11.79 5.472 -7.694 { c glu A 30 1xsoA_95F_31G}P -10.868 4.681 -7.56 { n gly A 31 1xsoA_95F_31G}-10.849 3.744 -6.632 { ca gly A 31 1xsoA_95F_31G}-11.995 3.56 -5.814 { c gly A 31 1xsoA_95F_31G}-11.711 3.087 -4.404 { o gly A 31 1xsoA_95F_31G}-10.617 2.585 -4.143 { c gly A 31 1xsoA_95F_31G}P -11.711 3.087 -4.404 { n lys A 32 1xsoA_95F_31G}-12.748 3.167 -3.575 { ca lys A 32 1xsoA_95F_31G}-12.765 2.686 -2.194 { c lys A 32 1xsoA_95F_31G}-14.164 2.12 -1.933 { o lys A 32 1xsoA_95F_31G}-15.165 2.771 -2.201 { c lys A 32 1xsoA_95F_31G}P -14.164 2.12 -1.933 { n ile A 33 1xsoA_95F_31G}-14.178 0.881 -1.498 { ca ile A 33 1xsoA_95F_31G}-15.416 0.165 -1.2 { c ile A 33 1xsoA_95F_31G}-15.276 -0.45 0.21 { o ile A 33 1xsoA_95F_31G}-14.292 -1.04 0.516 { n ala A 93 1xsoA_95F_31G}P -11.799 -2.396 0.386 {"}-11.799 -2.396 0.386 { ca ala A 93 1xsoA_95F_31G}-11.033 -2.49 -0.808 { c ala A 93 1xsoA_95F_31G}-10.68 -1.1 -1.353 { o ala A 93 1xsoA_95F_31G}-11.597 -0.321 -1.684 { c ala A 93 1xsoA_95F_31G}P -10.68 -1.1 -1.353 { n gln A 94 1xsoA_95F_31G}-9.422 -0.774 -1.446 { ca gln A 94 1xsoA_95F_31G}-8.944 0.521 -2.043 { c gln A 94 1xsoA_95F_31G}-8.037 0.1 -3.213 { o gln A 94 1xsoA_95F_31G}-7.105 -0.67 -3.09 { c gln A 94 1xsoA_95F_31G}P -8.037 0.1 -3.213 { n phe A 95 1xsoA_95F_31G}-8.36 0.593 -4.41 { ca phe A 95 1xsoA_95F_31G}-7.756 0.169 -5.617 { c phe A 95 1xsoA_95F_31G}-7.559 1.285 -6.641 { o phe A 95 1xsoA_95F_31G}-8.265 2.28 -6.646 { c phe A 95 1xsoA_95F_31G}P -7.559 1.285 -6.641 { n lys A 96 1xsoA_95F_31G}-6.547 1.081 -7.475 { ca lys A 96 1xsoA_95F_31G}-6.21 1.916 -8.616 { c lys A 96 1xsoA_95F_31G}-5.903 0.99 -9.814 { o lys A 96 1xsoA_95F_31G}-4.989 0.169 -9.682 { c lys A 96 1xsoA_95F_31G}P -5.903 0.99 -9.814 { n ile A 97 1xsoA_95F_31G}-6.613 1.162 -10.887 { ca ile A 97 1xsoA_95F_31G}-6.403 0.354 -12.098 { c ile A 97 1xsoA_95F_31G}-6.326 1.342 -13.277 { o ile A 97 1xsoA_95F_31G}-6.884 2.431 -13.233 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n val A 29 1xsoA_95F_31G}P -8.881 4.427 -13.024 { ca val A 29 1xsoA_95F_31G}P -9.936 4.041 -12.128 { n glu A 30 1xsoA_95F_31G}P -10.004 4.773 -9.82 { ca glu A 30 1xsoA_95F_31G}P -9.598 4.786 -8.427 { n gly A 31 1xsoA_95F_31G}P -10.849 3.744 -6.632 { ca gly A 31 1xsoA_95F_31G}P -11.995 3.56 -5.814 {"}P -11.995 3.56 -5.814 { n lys A 32 1xsoA_95F_31G}P -12.748 3.167 -3.575 { ca lys A 32 1xsoA_95F_31G}P -12.765 2.686 -2.194 { n ile A 33 1xsoA_95F_31G}P -14.178 0.881 -1.498 { ca ile A 33 1xsoA_95F_31G}P -15.416 0.165 -1.2 { n ala A 93 1xsoA_95F_31G}P -11.799 -2.396 0.386 { ca ala A 93 1xsoA_95F_31G}P -11.033 -2.49 -0.808 { n gln A 94 1xsoA_95F_31G}P -9.422 -0.774 -1.446 { ca gln A 94 1xsoA_95F_31G}P -8.944 0.521 -2.043 { n phe A 95 1xsoA_95F_31G}P -8.36 0.593 -4.41 { ca phe A 95 1xsoA_95F_31G}P -7.756 0.169 -5.617 { n lys A 96 1xsoA_95F_31G}P -6.547 1.081 -7.475 { ca lys A 96 1xsoA_95F_31G}P -6.21 1.916 -8.616 { n ile A 97 1xsoA_95F_31G}P -6.613 1.162 -10.887 { ca ile A 97 1xsoA_95F_31G}P -6.403 0.354 -12.098 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca val A 29 1xsoA_95F_31G}P -9.936 4.041 -12.128 {"}-9.936 4.041 -12.128 { ca glu A 30 1xsoA_95F_31G}-9.598 4.786 -8.427 { ca gly A 31 1xsoA_95F_31G}-11.995 3.56 -5.814 { ca lys A 32 1xsoA_95F_31G}-12.765 2.686 -2.194 { ca ile A 33 1xsoA_95F_31G}-15.416 0.165 -1.2 { ca ala A 93 1xsoA_95F_31G}P -11.033 -2.49 -0.808 {"}-11.033 -2.49 -0.808 { ca gln A 94 1xsoA_95F_31G}-8.944 0.521 -2.043 { ca phe A 95 1xsoA_95F_31G}-7.756 0.169 -5.617 { ca lys A 96 1xsoA_95F_31G}-6.21 1.916 -8.616 { ca ile A 97 1xsoA_95F_31G}-6.403 0.354 -12.098 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca val A 29 1xsoA_95F_31G}P -9.936 4.041 -12.128 { ca glu A 30 1xsoA_95F_31G}P -9.598 4.786 -8.427 { ca lys A 32 1xsoA_95F_31G}P -12.765 2.686 -2.194 { ca ile A 33 1xsoA_95F_31G}P -15.416 0.165 -1.2 { ca ala A 93 1xsoA_95F_31G}P -11.033 -2.49 -0.808 { ca gln A 94 1xsoA_95F_31G}P -8.944 0.521 -2.043 { ca phe A 95 1xsoA_95F_31G}P -7.756 0.169 -5.617 { cb phe A 95 1xsoA_95F_31G}-8.545 -0.991 -6.245 { cg phe A 95 1xsoA_95F_31G}-9.989 -0.616 -6.592 { cd1 phe A 95 1xsoA_95F_31G}-10.974 -0.739 -5.65 { ce1 phe A 95 1xsoA_95F_31G}-12.288 -0.409 -5.946 { cz phe A 95 1xsoA_95F_31G}-12.631 0.069 -7.192 { cg phe A 95 1xsoA_95F_31G}P -9.989 -0.616 -6.592 { cd2 phe A 95 1xsoA_95F_31G}-10.34 -0.175 -7.844 { ce2 phe A 95 1xsoA_95F_31G}-11.657 0.134 -8.16 { cz phe A 95 1xsoA_95F_31G}ghost -12.631 0.069 -7.192 { ca lys A 96 1xsoA_95F_31G}P -6.21 1.916 -8.616 { ca ile A 97 1xsoA_95F_31G}P -6.403 0.354 -12.098 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 95 1xsoA_95F_31G}P -8.545 -0.991 -6.245 {"}P -8.545 -0.991 -6.245 { cd1 phe A 95 1xsoA_95F_31G}P -10.974 -0.739 -5.65 { cd2 phe A 95 1xsoA_95F_31G}P -10.34 -0.175 -7.844 { ce1 phe A 95 1xsoA_95F_31G}P -12.288 -0.409 -5.946 { ce2 phe A 95 1xsoA_95F_31G}P -11.657 0.134 -8.16 { cz phe A 95 1xsoA_95F_31G}P -12.631 0.069 -7.192 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 95 1xsoA_95F_31G}P -7.756 0.169 -5.617 { cb phe A 95 1xsoA_95F_31G}-8.545 -0.991 -6.245 { cg phe A 95 1xsoA_95F_31G}-9.989 -0.616 -6.592 { cd1 phe A 95 1xsoA_95F_31G}-10.974 -0.739 -5.65 { ce1 phe A 95 1xsoA_95F_31G}-12.288 -0.409 -5.946 { cz phe A 95 1xsoA_95F_31G}-12.631 0.069 -7.192 { cg phe A 95 1xsoA_95F_31G}P -9.989 -0.616 -6.592 { cd2 phe A 95 1xsoA_95F_31G}-10.34 -0.175 -7.844 { ce2 phe A 95 1xsoA_95F_31G}-11.657 0.134 -8.16 { cz phe A 95 1xsoA_95F_31G}ghost -12.631 0.069 -7.192 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 95 1xsoA_95F_31G}P -8.545 -0.991 -6.245 {"}P -8.545 -0.991 -6.245 { cd1 phe A 95 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{"}'P' green -12.827 1.745 -6.729 {"}'P' green -12.306 1.725 -6.73 {"}'P' sea -12.054 1.656 -6.733 {"}'P' sea -13.142 1.586 -6.486 {"}'P' green -12.894 1.647 -6.483 {"}'P' green -12.639 1.669 -6.482 {"}'P' green -12.384 1.65 -6.483 {"}'P' sea -12.135 1.591 -6.486 {"}'P' sea -13.075 1.479 -6.255 {"}'P' green -12.824 1.533 -6.252 {"}'P' green -12.567 1.544 -6.252 {"}'P' sea -12.312 1.511 -6.253 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 95 A}'P' P -12.566 1.755 -6.729 {"}'P' -12.566 1.752 -6.729 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 31 A}'P' sky -12.533 2.155 -7.246 {"}'P' sky -12.787 2.155 -7.246 {"}'P' sky -12.272 2.037 -7.066 {"}'P' sky -13.032 2.03 -7.066 {"}'P' sky -12.061 1.988 -6.846 {"}'P' sky -13.259 1.988 -6.846 {"}'P' sky -11.942 1.958 -6.6 {"}'P' blue -13.365 1.948 -6.6 {"}'P' blue -13.317 1.866 -6.343 {"}'P' blue -12.158 1.798 -6.086 {"}'P' blue -12.533 1.765 -5.839 @dotlist {x} 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2.371 -6.017 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 95 A}'M' greentint -9.559 2.668 -7.013 {"}'M' greentint -9.466 2.906 -7.002 {"}'M' greentint -9.328 3.122 -6.993 {"}'M' greentint -9.635 2.542 -6.764 {"}'M' greentint -9.565 2.789 -6.753 {"}'M' greentint -9.45 3.019 -6.743 {"}'M' greentint -9.295 3.224 -6.734 {"}'M' greentint -9.659 2.266 -6.517 {"}'M' greentint -9.637 2.522 -6.506 {"}'M' greentint -9.568 2.77 -6.495 {"}'M' greentint -9.455 3.001 -6.485 {"}'M' greentint -9.301 3.207 -6.476 {"}'M' greentint -9.605 2.391 -6.258 {"}'M' greentint -9.557 2.642 -6.247 {"}'M' greentint -9.462 2.88 -6.236 {"}'M' greentint -9.323 3.095 -6.227 {"}'M' greentint -9.147 3.28 -6.219 {"}'M' greentint -9.463 2.62 -6.007 {"}'M' greentint -9.365 2.853 -5.996 {"}'M' greentint -9.221 3.062 -5.987 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 31 A}'M' greentint -9.251 2.908 -6.954 {"}'M' greentint -9.361 2.674 -6.965 {"}'M' greentint -9.535 2.484 -6.973 {"}'M' greentint -9.215 3.163 -6.943 {"}'M' greentint -9.148 2.895 -6.713 {"}'M' greentint -9.244 2.662 -6.724 {"}'M' greentint -9.398 2.462 -6.732 {"}'M' greentint -9.598 2.309 -6.739 {"}'M' greentint -9.115 3.144 -6.703 {"}'M' greentint -9.11 2.892 -6.455 {"}'M' greentint -9.201 2.659 -6.465 {"}'M' greentint -9.347 2.455 -6.474 {"}'M' greentint -9.538 2.294 -6.481 {"}'M' greentint -9.081 3.141 -6.444 {"}'M' greentint -9.148 2.872 -6.196 {"}'M' greentint -9.244 2.639 -6.206 {"}'M' greentint -9.398 2.439 -6.215 {"}'M' greentint -9.598 2.286 -6.222 {"}'M' greentint -9.115 3.122 -6.185 {"}'M' greentint -9.251 2.864 -5.955 {"}'M' greentint -9.361 2.631 -5.965 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 95 A}'M' green -9.696 1.905 -5.012 {"}'M' green -9.251 2.281 -4.495 {"}'M' green -10.022 1.29 -4.279 {"}'M' green -9.482 1.834 -3.807 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 95 A}'M' greentint -9.989 1.562 -4.786 {"}'M' 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-13.231 { ca phe A 235 1xu1A_157Y_237}-9.73 4.833 -12.219 { c phe A 235 1xu1A_157Y_237}-9.254 4.451 -10.827 { o phe A 235 1xu1A_157Y_237}-8.233 3.789 -10.658 { c phe A 235 1xu1A_157Y_237}P -9.254 4.451 -10.827 { n leu A 236 1xu1A_157Y_237}-10.015 4.877 -9.825 { ca leu A 236 1xu1A_157Y_237}-9.651 4.698 -8.43 { c leu A 236 1xu1A_157Y_237}-10.94 4.496 -7.658 { o leu A 236 1xu1A_157Y_237}-11.902 5.204 -7.887 { c leu A 236 1xu1A_157Y_237}P -10.94 4.496 -7.658 { n gly A 237 1xu1A_157Y_237}-10.973 3.532 -6.749 { ca gly A 237 1xu1A_157Y_237}-12.168 3.323 -5.955 { c gly A 237 1xu1A_157Y_237}-11.932 2.738 -4.58 { o gly A 237 1xu1A_157Y_237}-10.848 2.219 -4.249 { c gly A 237 1xu1A_157Y_237}P -11.932 2.738 -4.58 { n phe A 238 1xu1A_157Y_237}-12.999 2.795 -3.792 { ca phe A 238 1xu1A_157Y_237}-12.968 2.488 -2.369 { c phe A 238 1xu1A_157Y_237}-14.279 1.809 -2.006 { o phe A 238 1xu1A_157Y_237}-15.347 2.234 -2.455 { c phe A 238 1xu1A_157Y_237}P -14.279 1.809 -2.006 { n val A 239 1xu1A_157Y_237}-14.201 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-6.749 { ca gly A 237 1xu1A_157Y_237}P -12.168 3.323 -5.955 {"}P -12.168 3.323 -5.955 { n phe A 238 1xu1A_157Y_237}P -12.999 2.795 -3.792 { ca phe A 238 1xu1A_157Y_237}P -12.968 2.488 -2.369 { n val A 239 1xu1A_157Y_237}P -14.201 0.779 -1.173 { ca val A 239 1xu1A_157Y_237}P -15.38 0.181 -0.554 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca leu A 155 1xu1A_157Y_237}P -10.864 -2.025 0.027 {"}-10.864 -2.025 0.027 { ca leu A 156 1xu1A_157Y_237}-8.83 0.332 -2.212 { ca tyr A 157 1xu1A_157Y_237}-8.283 -0.384 -5.945 { ca ser A 158 1xu1A_157Y_237}-6.394 1.589 -8.579 { ca gln A 159 1xu1A_157Y_237}-5.802 1.194 -12.333 { ca phe A 235 1xu1A_157Y_237}P -9.73 4.833 -12.219 {"}-9.73 4.833 -12.219 { ca leu A 236 1xu1A_157Y_237}-9.651 4.698 -8.43 { ca gly A 237 1xu1A_157Y_237}-12.168 3.323 -5.955 { ca phe A 238 1xu1A_157Y_237}-12.968 2.488 -2.369 { ca val A 239 1xu1A_157Y_237}-15.38 0.181 -0.554 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { 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1y4wA_56F_71G}-11.237 -0.609 -8.233 { cz phe A 56 1y4wA_56F_71G}-12.254 -0.761 -7.297 { cg phe A 56 1y4wA_56F_71G}P -9.591 -1.218 -6.56 { cd2 phe A 56 1y4wA_56F_71G}-10.621 -1.378 -5.639 { ce2 phe A 56 1y4wA_56F_71G}-11.947 -1.155 -6.005 { cz phe A 56 1y4wA_56F_71G}ghost -12.254 -0.761 -7.297 { ca gln A 57 1y4wA_56F_71G}P -5.321 1.092 -8.417 { ca tyr A 58 1y4wA_56F_71G}P -7.885 1.722 -11.133 { ca ser A 69 1y4wA_56F_71G}P -7.013 6.463 -9.66 { ca trp A 70 1y4wA_56F_71G}P -8.11 4.882 -6.373 { ca his A 72 1y4wA_56F_71G}P -13.33 1.823 -3.957 { ca ala A 73 1y4wA_56F_71G}P -15.441 -1.122 -2.811 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 56 1y4wA_56F_71G}P -8.155 -1.462 -6.16 {"}P -8.155 -1.462 -6.16 { cd1 phe A 56 1y4wA_56F_71G}P -9.908 -0.835 -7.859 { cd2 phe A 56 1y4wA_56F_71G}P -10.621 -1.378 -5.639 { ce1 phe A 56 1y4wA_56F_71G}P -11.237 -0.609 -8.233 { ce2 phe A 56 1y4wA_56F_71G}P -11.947 -1.155 -6.005 { cz phe A 56 1y4wA_56F_71G}P -12.254 -0.761 -7.297 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 56 1y4wA_56F_71G}P -7.441 -0.22 -5.59 { cb phe A 56 1y4wA_56F_71G}-8.155 -1.462 -6.16 { cg phe A 56 1y4wA_56F_71G}-9.591 -1.218 -6.56 { cd1 phe A 56 1y4wA_56F_71G}-9.908 -0.835 -7.859 { ce1 phe A 56 1y4wA_56F_71G}-11.237 -0.609 -8.233 { cz phe A 56 1y4wA_56F_71G}-12.254 -0.761 -7.297 { cg phe A 56 1y4wA_56F_71G}P -9.591 -1.218 -6.56 { cd2 phe A 56 1y4wA_56F_71G}-10.621 -1.378 -5.639 { ce2 phe A 56 1y4wA_56F_71G}-11.947 -1.155 -6.005 { cz phe A 56 1y4wA_56F_71G}ghost -12.254 -0.761 -7.297 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 56 1y4wA_56F_71G}P -8.155 -1.462 -6.16 {"}P -8.155 -1.462 -6.16 { cd1 phe A 56 1y4wA_56F_71G}P -9.908 -0.835 -7.859 { cd2 phe A 56 1y4wA_56F_71G}P -10.621 -1.378 -5.639 { ce1 phe A 56 1y4wA_56F_71G}P -11.237 -0.609 -8.233 { ce2 phe A 56 1y4wA_56F_71G}P -11.947 -1.155 -6.005 { cz phe A 56 1y4wA_56F_71G}P -12.254 -0.761 -7.297 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CD1 PHE 56 A}'P' blue -10.296 0.87 -7.915 {"}'P' blue -10.304 0.857 -7.654 {"}'P' blue -10.36 0.792 -7.398 { CZ PHE 56 A}'P' sky -12.254 0.894 -7.865 {"}'P' sky -12.458 0.948 -7.612 {"}'P' sky -12.384 0.983 -7.352 {"}'P' sky -11.929 0.895 -6.835 {"}'P' sky -11.677 0.826 -6.838 {"}'P' sky -11.439 0.719 -6.843 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 56 A}'P' green -11.441 1.1 -8.548 {"}'P' green -11.18 1.112 -8.548 {"}'P' green -11.875 1.02 -8.293 {"}'P' green -10.849 1.096 -8.289 {"}'P' green -10.607 1.011 -8.031 {"}'P' green -11.935 0.929 -7.776 {"}'P' green -10.66 0.978 -7.774 {"}'P' green -10.741 0.913 -7.527 {"}'P' green -11.43 0.855 -7.293 {"}'P' green -11.173 0.866 -7.293 {"}'P' green -10.918 0.833 -7.294 { CZ PHE 56 A}'P' green -12.197 0.96 -7.612 {"}'P' green -11.937 0.931 -7.613 {"}'P' green -12.124 0.983 -7.352 {"}'P' green -11.866 0.944 -7.353 {"}'P' green -11.616 0.868 -7.357 {"}'P' sea -12.132 0.972 -7.09 {"}'P' green -11.874 0.935 -7.092 {"}'P' green -11.624 0.859 -7.095 {"}'P' sea -11.389 0.747 -7.1 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 PHE 56 A}'P' P -11.625 1.096 -8.289 {"}'P' -11.62 1.073 -8.289 {"}'P' P -11.367 1.135 -8.288 {"}'P' -11.363 1.079 -8.286 {"}'P' P -11.107 1.135 -8.288 {"}'P' -11.11 1.093 -8.286 {"}'P' P -11.882 1.005 -8.032 {"}'P' -11.882 1.005 -8.032 {"}'P' P -11.633 1.083 -8.028 {"}'P' -11.615 1.005 -8.038 {"}'P' P -11.376 1.123 -8.026 {"}'P' -11.366 1.005 -8.041 {"}'P' P -11.115 1.124 -8.026 {"}'P' -11.122 1.021 -8.039 {"}'P' P -10.857 1.087 -8.028 {"}'P' -10.866 1.046 -8.033 {"}'P' P -11.689 1.018 -7.772 {"}'P' -11.67 0.948 -7.792 {"}'P' P -11.433 1.067 -7.77 {"}'P' -11.419 0.946 -7.803 {"}'P' P -11.172 1.077 -7.77 {"}'P' -11.176 0.958 -7.802 {"}'P' P -10.912 1.047 -7.771 {"}'P' -10.925 0.983 -7.789 {"}'P' P -11.748 0.908 -7.527 {"}'P' -11.744 0.896 -7.533 {"}'P' P -11.5 0.969 -7.524 {"}'P' -11.489 0.902 -7.554 {"}'P' P -11.245 0.991 -7.523 {"}'P' -11.245 0.911 -7.559 {"}'P' P -10.99 0.972 -7.524 {"}'P' -10.997 0.928 -7.544 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 71 A}'P' blue -10.423 1.266 -7.675 {"}'P' sky -12.241 1.245 -7.415 {"}'P' sky -12.143 1.253 -7.167 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 71 A}'P' green -10.966 1.177 -8.409 {"}'P' green -11.726 1.17 -8.409 {"}'P' green -10.755 1.128 -8.189 {"}'P' green -10.636 1.098 -7.943 {"}'P' green -12.011 1.006 -7.686 {"}'P' sea -12.203 1.169 -7.679 {"}'P' green -10.852 0.938 -7.429 {"}'P' green -12.059 1.066 -7.423 {"}'P' green -11.227 0.905 -7.182 {"}'P' green -11.481 0.905 -7.182 {"}'P' green -11.728 0.966 -7.18 {"}'P' green -11.953 1.084 -7.175 {"}'P' sea -11.476 1.035 -6.955 {"}'P' sea -11.726 1.106 -6.952 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 71 A}'P' P -11.216 1.101 -8.412 {"}'P' -11.217 1.113 -8.402 {"}'P' P -11.476 1.099 -8.412 {"}'P' -11.475 1.105 -8.407 {"}'P' P -10.98 1.01 -8.194 {"}'P' -10.998 1.056 -8.168 {"}'P' P -11.227 0.95 -8.197 {"}'P' -11.237 1.033 -8.152 {"}'P' P -11.481 0.95 -8.197 {"}'P' -11.472 1.025 -8.156 {"}'P' P -11.728 1.01 -8.194 {"}'P' -11.719 1.034 -8.181 {"}'P' P -10.852 0.961 -7.949 {"}'P' -10.875 1.008 -7.935 {"}'P' P -11.092 0.875 -7.953 {"}'P' -11.118 0.984 -7.922 {"}'P' P -11.346 0.845 -7.954 {"}'P' -11.347 0.973 -7.919 {"}'P' P -11.6 0.872 -7.953 {"}'P' -11.579 0.966 -7.926 {"}'P' P -11.842 0.954 -7.949 {"}'P' -11.831 0.976 -7.943 {"}'P' P -10.806 0.94 -7.689 {"}'P' -10.818 0.963 -7.688 {"}'P' P -11.041 0.847 -7.693 {"}'P' -11.066 0.936 -7.689 {"}'P' P -11.291 0.806 -7.695 {"}'P' -11.297 0.923 -7.69 {"}'P' P -11.543 0.82 -7.694 {"}'P' -11.528 0.915 -7.69 {"}'P' P -11.787 0.887 -7.691 {"}'P' -11.775 0.918 -7.69 {"}'P' P -11.092 0.852 -7.432 {"}'P' -11.101 0.889 -7.439 {"}'P' P -11.346 0.822 -7.434 {"}'P' -11.346 0.875 -7.443 {"}'P' P -11.6 0.849 -7.432 {"}'P' -11.595 0.872 -7.437 {"}'P' P -11.842 0.931 -7.429 {"}'P' -11.841 0.933 -7.429 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 56 A}'M' greentint -8.655 2.232 -7.942 {"}'M' greentint -8.49 2.432 -7.934 {"}'M' greentint -8.913 1.991 -7.733 {"}'M' greentint -8.813 2.224 -7.723 {"}'M' greentint -8.668 2.432 -7.714 {"}'M' greentint -8.484 2.606 -7.706 {"}'M' greentint -9.011 1.977 -7.493 {"}'M' greentint -8.918 2.215 -7.482 {"}'M' greentint -8.78 2.431 -7.473 {"}'M' greentint -8.605 2.617 -7.465 {"}'M' greentint -8.397 2.767 -7.458 {"}'M' greentint -9.087 1.851 -7.244 {"}'M' greentint -9.017 2.098 -7.233 {"}'M' greentint -8.902 2.328 -7.223 {"}'M' greentint -8.747 2.533 -7.214 {"}'M' greentint -8.557 2.706 -7.207 {"}'M' greentint -8.338 2.841 -7.201 {"}'M' greentint -9.02 2.079 -6.975 {"}'M' greentint -8.907 2.31 -6.965 {"}'M' greentint -8.753 2.516 -6.956 {"}'M' greentint -8.564 2.69 -6.949 {"}'M' greentint -8.914 2.189 -6.716 {"}'M' greentint -8.775 2.404 -6.707 {"}'M' greentint -8.599 2.589 -6.699 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 71 A}'M' greentint -8.518 2.289 -7.967 {"}'M' greentint -8.692 2.099 -7.975 {"}'M' greentint -8.305 2.51 -7.715 {"}'M' greentint -8.401 2.277 -7.726 {"}'M' greentint -8.555 2.077 -7.734 {"}'M' greentint -8.755 1.924 -7.741 {"}'M' greentint -8.267 2.507 -7.457 {"}'M' greentint -8.358 2.274 -7.467 {"}'M' greentint -8.504 2.07 -7.476 {"}'M' greentint -8.695 1.909 -7.483 {"}'M' greentint -8.921 1.8 -7.487 {"}'M' greentint -8.238 2.756 -7.446 {"}'M' greentint -8.305 2.487 -7.198 {"}'M' greentint -8.401 2.254 -7.208 {"}'M' greentint -8.555 2.054 -7.217 {"}'M' greentint -8.755 1.901 -7.224 {"}'M' greentint -8.988 1.805 -7.228 {"}'M' greentint -8.272 2.737 -7.187 {"}'M' greentint -8.408 2.479 -6.957 {"}'M' greentint -8.518 2.246 -6.967 {"}'M' greentint -8.692 2.055 -6.976 {"}'M' greentint -8.914 1.924 -6.982 {"}'M' greentint -8.372 2.734 -6.946 {"}'M' greentint -8.579 2.462 -6.751 {"}'M' greentint -8.715 2.241 -6.76 {"}'M' greentint -8.923 2.085 -6.767 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 56 A}'M' -9.518 1.485 -5.419 {"}'M' -9.3 1.946 -5.399 {"}'M' -9.143 2.189 -5.147 {"}'M' -9.093 2.243 -4.886 {"}'M' -9.1 2.065 -4.393 @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 56 A}'M' sea -9.444 1.732 -5.408 {"}'M' sea -9.626 1.353 -5.184 {"}'M' green -9.593 1.603 -5.173 {"}'M' green -9.497 1.836 -5.163 {"}'M' green -9.343 2.036 -5.154 {"}'M' sea -9.651 1.209 -4.931 {"}'M' green -9.653 1.459 -4.92 {"}'M' green -9.304 2.107 -4.892 {"}'M' green -9.626 1.331 -4.666 {"}'M' green -9.343 2.013 -4.637 {"}'M' sea -9.143 2.166 -4.63 {"}'M' sea -9.518 1.441 -4.42 {"}'M' green -9.444 1.688 -4.409 {"}'M' green -9.3 1.903 -4.4 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 56 A}'M' greentint -9.593 1.702 -4.909 {"}'M' greentint -9.474 1.923 -4.9 {"}'M' greentint -9.593 1.58 -4.656 {"}'M' greentint -9.497 1.813 -4.645 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 71 A}'M' sky -9.876 1.495 -5.331 {"}'M' sky -9.951 1.301 -5.098 {"}'M' sky -9.392 2.4 -5.05 {"}'M' sky -9.345 2.381 -4.797 {"}'M' sky -9.345 2.378 -4.539 @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 71 A}'M' sea -9.511 2.15 -5.302 {"}'M' sea -9.587 1.908 -5.313 {"}'M' sea -9.71 1.687 -5.323 {"}'M' green -9.415 2.145 -5.062 {"}'M' green -9.486 1.899 -5.072 {"}'M' green -9.602 1.671 -5.082 {"}'M' green -9.759 1.469 -5.091 {"}'M' green -9.369 2.125 -4.808 {"}'M' green -9.709 1.442 -4.838 {"}'M' sea -9.899 1.269 -4.846 {"}'M' green -9.367 2.122 -4.55 {"}'M' green -9.436 1.874 -4.561 {"}'M' green -9.549 1.643 -4.571 {"}'M' green -9.703 1.437 -4.58 {"}'M' sea -9.417 2.104 -4.296 {"}'M' sea -9.489 1.858 -4.307 {"}'M' sea -9.606 1.631 -4.317 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 71 A}'M' greentint -9.439 1.878 -4.819 {"}'M' greentint -9.554 1.647 -4.829 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n gly A 32 2a13A_46Y_34G}P -6.566 6.099 -12.336 {"}-6.566 6.099 -12.336 { ca gly A 32 2a13A_46Y_34G}-7.032 6.661 -11.079 { c gly A 32 2a13A_46Y_34G}-7.188 5.595 -10.026 { o gly A 32 2a13A_46Y_34G}-6.395 4.656 -9.944 { c gly A 32 2a13A_46Y_34G}P -7.188 5.595 -10.026 { n gln A 33 2a13A_46Y_34G}-8.204 5.751 -9.187 { ca gln A 33 2a13A_46Y_34G}-8.416 4.807 -8.096 { c gln A 33 2a13A_46Y_34G}-9.881 4.658 -7.742 { o gln A 33 2a13A_46Y_34G}-10.713 5.509 -8.102 { c gln A 33 2a13A_46Y_34G}P -9.881 4.658 -7.742 { n gly A 34 2a13A_46Y_34G}-10.176 3.566 -7.042 { ca gly A 34 2a13A_46Y_34G}-11.54 3.235 -6.683 { c gly A 34 2a13A_46Y_34G}-11.654 2.556 -5.337 { o gly A 34 2a13A_46Y_34G}-10.648 2.325 -4.653 { c gly A 34 2a13A_46Y_34G}P -11.654 2.556 -5.337 { n glu A 35 2a13A_46Y_34G}-12.895 2.237 -4.985 { ca glu A 35 2a13A_46Y_34G}-13.241 1.597 -3.714 { c glu A 35 2a13A_46Y_34G}-14.292 0.534 -3.995 { o glu A 35 2a13A_46Y_34G}-15.209 0.759 -4.789 { c glu A 35 2a13A_46Y_34G}P -14.292 0.534 -3.995 { n gly A 36 2a13A_46Y_34G}-14.181 -0.599 -3.301 { ca gly A 36 2a13A_46Y_34G}-15.145 -1.691 -3.402 { c gly A 36 2a13A_46Y_34G}-15.7 -2.064 -2.033 { o gly A 36 2a13A_46Y_34G}-15.018 -1.917 -0.999 { n phe A 44 2a13A_46Y_34G}P -12.475 -2.228 0.463 {"}-12.475 -2.228 0.463 { ca phe A 44 2a13A_46Y_34G}-11.097 -2.2 -0.022 { c phe A 44 2a13A_46Y_34G}-10.902 -1.087 -1.04 { o phe A 44 2a13A_46Y_34G}-11.875 -0.581 -1.591 { c phe A 44 2a13A_46Y_34G}P -10.902 -1.087 -1.04 { n arg A 45 2a13A_46Y_34G}-9.645 -0.705 -1.257 { ca arg A 45 2a13A_46Y_34G}-9.284 0.297 -2.264 { c arg A 45 2a13A_46Y_34G}-8.354 -0.305 -3.31 { o arg A 45 2a13A_46Y_34G}-7.675 -1.302 -3.056 { c arg A 45 2a13A_46Y_34G}P -8.354 -0.305 -3.31 { n tyr A 46 2a13A_46Y_34G}-8.334 0.305 -4.496 { ca tyr A 46 2a13A_46Y_34G}-7.537 -0.194 -5.611 { c tyr A 46 2a13A_46Y_34G}-7.151 0.932 -6.565 { o tyr A 46 2a13A_46Y_34G}-7.853 1.955 -6.647 { c tyr A 46 2a13A_46Y_34G}P -7.151 0.932 -6.565 { n gly A 47 2a13A_46Y_34G}-6.043 0.738 -7.287 { ca gly A 47 2a13A_46Y_34G}-5.73 1.596 -8.44 { c gly A 47 2a13A_46Y_34G}-6.296 0.961 -9.705 { o gly A 47 2a13A_46Y_34G}-6.516 -0.263 -9.76 { c gly A 47 2a13A_46Y_34G}P -6.296 0.961 -9.705 { n glu A 48 2a13A_46Y_34G}-6.55 1.777 -10.727 { ca glu A 48 2a13A_46Y_34G}-7.152 1.297 -11.975 { c glu A 48 2a13A_46Y_34G}-6.619 2.071 -13.173 { o glu A 48 2a13A_46Y_34G}-6.414 3.285 -13.095 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n gly A 32 2a13A_46Y_34G}P -6.566 6.099 -12.336 { ca gly A 32 2a13A_46Y_34G}P -7.032 6.661 -11.079 {"}P -7.032 6.661 -11.079 { n gln A 33 2a13A_46Y_34G}P -8.204 5.751 -9.187 { ca gln A 33 2a13A_46Y_34G}P -8.416 4.807 -8.096 { n gly A 34 2a13A_46Y_34G}P -10.176 3.566 -7.042 { ca gly A 34 2a13A_46Y_34G}P -11.54 3.235 -6.683 {"}P -11.54 3.235 -6.683 { n glu A 35 2a13A_46Y_34G}P -12.895 2.237 -4.985 { ca glu A 35 2a13A_46Y_34G}P -13.241 1.597 -3.714 { n gly A 36 2a13A_46Y_34G}P -14.181 -0.599 -3.301 { ca gly A 36 2a13A_46Y_34G}P -15.145 -1.691 -3.402 {"}P -15.145 -1.691 -3.402 { n phe A 44 2a13A_46Y_34G}P -12.475 -2.228 0.463 { ca phe A 44 2a13A_46Y_34G}P -11.097 -2.2 -0.022 { n arg A 45 2a13A_46Y_34G}P -9.645 -0.705 -1.257 { ca arg A 45 2a13A_46Y_34G}P -9.284 0.297 -2.264 { n tyr A 46 2a13A_46Y_34G}P -8.334 0.305 -4.496 { ca tyr A 46 2a13A_46Y_34G}P -7.537 -0.194 -5.611 { n gly A 47 2a13A_46Y_34G}P -6.043 0.738 -7.287 { ca gly A 47 2a13A_46Y_34G}P -5.73 1.596 -8.44 {"}P -5.73 1.596 -8.44 { n glu A 48 2a13A_46Y_34G}P -6.55 1.777 -10.727 { ca glu A 48 2a13A_46Y_34G}P -7.152 1.297 -11.975 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca gly A 32 2a13A_46Y_34G}P -7.032 6.661 -11.079 {"}-7.032 6.661 -11.079 { ca gln A 33 2a13A_46Y_34G}-8.416 4.807 -8.096 { ca gly A 34 2a13A_46Y_34G}-11.54 3.235 -6.683 { ca glu A 35 2a13A_46Y_34G}-13.241 1.597 -3.714 { ca gly A 36 2a13A_46Y_34G}-15.145 -1.691 -3.402 { ca phe A 44 2a13A_46Y_34G}P -11.097 -2.2 -0.022 {"}-11.097 -2.2 -0.022 { ca arg A 45 2a13A_46Y_34G}-9.284 0.297 -2.264 { ca tyr A 46 2a13A_46Y_34G}-7.537 -0.194 -5.611 { ca gly A 47 2a13A_46Y_34G}-5.73 1.596 -8.44 { ca glu A 48 2a13A_46Y_34G}-7.152 1.297 -11.975 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca gln A 33 2a13A_46Y_34G}P -8.416 4.807 -8.096 { ca glu A 35 2a13A_46Y_34G}P -13.241 1.597 -3.714 { ca phe A 44 2a13A_46Y_34G}P -11.097 -2.2 -0.022 { ca arg A 45 2a13A_46Y_34G}P -9.284 0.297 -2.264 { ca tyr A 46 2a13A_46Y_34G}P -7.537 -0.194 -5.611 { cb tyr A 46 2a13A_46Y_34G}-8.296 -1.304 -6.364 { cg tyr A 46 2a13A_46Y_34G}-9.651 -0.917 -6.922 { cd1 tyr A 46 2a13A_46Y_34G}-10.817 -1.058 -6.161 { ce1 tyr A 46 2a13A_46Y_34G}-12.066 -0.713 -6.684 { cz tyr A 46 2a13A_46Y_34G}-12.157 -0.216 -7.977 { oh tyr A 46 2a13A_46Y_34G}-13.391 0.112 -8.501 { cg tyr A 46 2a13A_46Y_34G}P -9.651 -0.917 -6.922 { cd2 tyr A 46 2a13A_46Y_34G}-9.771 -0.432 -8.227 { ce2 tyr A 46 2a13A_46Y_34G}-11.016 -0.091 -8.758 { cz tyr A 46 2a13A_46Y_34G}ghost -12.157 -0.216 -7.977 { ca glu A 48 2a13A_46Y_34G}P -7.152 1.297 -11.975 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 46 2a13A_46Y_34G}P -8.296 -1.304 -6.364 {"}P -8.296 -1.304 -6.364 { cd1 tyr A 46 2a13A_46Y_34G}P -10.817 -1.058 -6.161 { cd2 tyr A 46 2a13A_46Y_34G}P -9.771 -0.432 -8.227 { ce1 tyr A 46 2a13A_46Y_34G}P -12.066 -0.713 -6.684 { ce2 tyr A 46 2a13A_46Y_34G}P -11.016 -0.091 -8.758 { oh tyr A 46 2a13A_46Y_34G}P -13.391 0.112 -8.501 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 46 2a13A_46Y_34G}P -7.537 -0.194 -5.611 { cb tyr A 46 2a13A_46Y_34G}-8.296 -1.304 -6.364 { cg tyr A 46 2a13A_46Y_34G}-9.651 -0.917 -6.922 { cd1 tyr A 46 2a13A_46Y_34G}-10.817 -1.058 -6.161 { ce1 tyr A 46 2a13A_46Y_34G}-12.066 -0.713 -6.684 { cz tyr A 46 2a13A_46Y_34G}-12.157 -0.216 -7.977 { oh tyr A 46 2a13A_46Y_34G}-13.391 0.112 -8.501 { cg tyr A 46 2a13A_46Y_34G}P -9.651 -0.917 -6.922 { cd2 tyr A 46 2a13A_46Y_34G}-9.771 -0.432 -8.227 { ce2 tyr A 46 2a13A_46Y_34G}-11.016 -0.091 -8.758 { cz tyr A 46 2a13A_46Y_34G}ghost -12.157 -0.216 -7.977 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 46 2a13A_46Y_34G}P -8.296 -1.304 -6.364 {"}P -8.296 -1.304 -6.364 { cd1 tyr A 46 2a13A_46Y_34G}P -10.817 -1.058 -6.161 { cd2 tyr A 46 2a13A_46Y_34G}P -9.771 -0.432 -8.227 { ce1 tyr A 46 2a13A_46Y_34G}P -12.066 -0.713 -6.684 { ce2 tyr A 46 2a13A_46Y_34G}P -11.016 -0.091 -8.758 { oh tyr A 46 2a13A_46Y_34G}P -13.391 0.112 -8.501 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 46 A}'P' blue -11.661 1.523 -8.557 {"}'P' blue -11.412 1.601 -8.553 {"}'P' sky -11.714 1.447 -8.301 {"}'P' sky -11.468 1.536 -8.297 {"}'P' sky -11.212 1.585 -8.295 {"}'P' blue -11.024 1.509 -8.048 {"}'P' sky -11.209 1.373 -7.818 { CZ TYR 46 A}'P' sky -12.361 1.493 -8.292 {"}'P' sky -12.802 1.398 -7.776 {"}'P' sky -11.342 1.264 -7.523 {"}'P' sky -12.668 1.301 -7.271 {"}'P' sky -11.425 1.21 -7.275 {"}'P' sky -12.35 1.248 -7.037 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 46 A}'P' sea -11.527 1.426 -8.052 {"}'P' sea -11.279 1.487 -8.049 { CZ TYR 46 A}'P' sea -12.1 1.505 -8.292 {"}'P' sea -11.84 1.476 -8.293 {"}'P' sea -12.545 1.489 -8.033 {"}'P' green -12.287 1.528 -8.032 {"}'P' green -12.027 1.528 -8.032 {"}'P' green -11.769 1.489 -8.033 {"}'P' green -12.553 1.476 -7.772 {"}'P' green -11.527 1.404 -7.775 {"}'P' sea -12.609 1.411 -7.516 {"}'P' green -12.353 1.46 -7.514 {"}'P' green -11.58 1.371 -7.518 {"}'P' green -12.42 1.362 -7.268 {"}'P' green -12.165 1.384 -7.267 {"}'P' green -11.91 1.365 -7.268 {"}'P' green -11.661 1.306 -7.271 {"}'P' sea -12.093 1.259 -7.037 {"}'P' sea -11.838 1.226 -7.038 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ TYR 46 A}'P' P -12.296 1.516 -7.77 {"}'P' -12.295 1.509 -7.771 {"}'P' P -12.035 1.517 -7.77 {"}'P' -12.037 1.486 -7.774 {"}'P' P -11.777 1.48 -7.772 {"}'P' -11.778 1.474 -7.773 {"}'P' P -12.092 1.47 -7.514 {"}'P' -12.093 1.444 -7.521 {"}'P' P -11.832 1.44 -7.515 {"}'P' -11.834 1.429 -7.518 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 34 A}'P' blue -11.361 1.924 -8.215 {"}'P' sky -11.578 1.781 -8.221 {"}'P' sky -12.338 1.774 -8.221 {"}'P' blue -11.177 1.901 -7.994 {"}'P' sky -11.367 1.732 -8.001 {"}'P' sky -11.248 1.702 -7.755 {"}'P' sky -11.464 1.542 -7.241 {"}'P' sky -11.839 1.509 -6.994 {"}'P' sky -12.34 1.57 -6.992 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 34 A}'P' sea -11.828 1.705 -8.224 {"}'P' sea -12.088 1.703 -8.224 {"}'P' sea -11.592 1.614 -8.006 {"}'P' green -11.839 1.554 -8.009 {"}'P' green -12.093 1.554 -8.009 {"}'P' green -12.34 1.614 -8.006 {"}'P' sea -12.565 1.732 -8.001 {"}'P' sea -11.464 1.565 -7.761 {"}'P' green -11.704 1.479 -7.765 {"}'P' green -12.454 1.558 -7.761 {"}'P' sea -12.671 1.692 -7.755 {"}'P' sea -11.418 1.544 -7.501 {"}'P' green -11.653 1.451 -7.505 {"}'P' green -12.399 1.491 -7.503 {"}'P' sea -12.623 1.61 -7.498 {"}'P' green -11.704 1.456 -7.244 {"}'P' green -11.958 1.426 -7.246 {"}'P' green -12.212 1.453 -7.244 {"}'P' sea -12.454 1.535 -7.241 {"}'P' sea -12.093 1.509 -6.994 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 34 A}'P' P -11.958 1.449 -7.766 {"}'P' -11.958 1.478 -7.758 {"}'P' P -12.212 1.476 -7.765 {"}'P' -12.207 1.496 -7.759 {"}'P' P -11.903 1.41 -7.507 {"}'P' -11.904 1.429 -7.506 {"}'P' P -12.155 1.424 -7.506 {"}'P' -12.152 1.445 -7.505 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 46 A}'M' greentint -9.049 2.357 -7.254 {"}'M' greentint -8.949 2.59 -7.244 {"}'M' greentint -8.804 2.798 -7.235 {"}'M' greentint -9.194 2.091 -7.025 {"}'M' greentint -9.147 2.343 -7.014 {"}'M' greentint -9.054 2.581 -7.003 {"}'M' greentint -8.916 2.797 -6.994 {"}'M' greentint -8.741 2.983 -6.986 {"}'M' greentint -9.247 1.961 -6.776 {"}'M' greentint -9.223 2.217 -6.765 {"}'M' greentint -9.153 2.464 -6.754 {"}'M' greentint -9.038 2.694 -6.744 {"}'M' greentint -8.883 2.899 -6.735 {"}'M' greentint -8.693 3.072 -6.728 {"}'M' greentint -9.225 2.197 -6.507 {"}'M' greentint -9.156 2.445 -6.496 {"}'M' greentint -9.043 2.676 -6.486 {"}'M' greentint -8.889 2.882 -6.477 {"}'M' greentint -8.7 3.056 -6.47 {"}'M' greentint -9.145 2.317 -6.248 {"}'M' greentint -9.05 2.555 -6.237 {"}'M' greentint -8.911 2.77 -6.228 {"}'M' greentint -8.735 2.955 -6.22 {"}'M' greentint -8.953 2.528 -5.997 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 34 A}'M' greentint -8.664 2.685 -7.23 {"}'M' greentint -8.774 2.451 -7.241 {"}'M' greentint -8.948 2.261 -7.249 {"}'M' greentint -8.628 2.94 -7.219 {"}'M' greentint -8.561 2.672 -6.989 {"}'M' greentint -8.657 2.439 -7 {"}'M' greentint -8.811 2.239 -7.008 {"}'M' greentint -9.011 2.086 -7.015 {"}'M' greentint -8.528 2.921 -6.979 {"}'M' greentint -8.523 2.669 -6.731 {"}'M' greentint -8.614 2.436 -6.741 {"}'M' greentint -8.76 2.232 -6.75 {"}'M' greentint -8.951 2.071 -6.757 {"}'M' greentint -9.177 1.962 -6.761 {"}'M' greentint -8.527 3.166 -6.709 {"}'M' greentint -8.494 2.918 -6.72 {"}'M' greentint -8.561 2.649 -6.472 {"}'M' greentint -8.657 2.416 -6.482 {"}'M' greentint -8.811 2.216 -6.491 {"}'M' greentint -9.011 2.063 -6.498 {"}'M' greentint -9.244 1.967 -6.502 {"}'M' greentint -8.528 2.899 -6.461 {"}'M' greentint -8.664 2.641 -6.231 {"}'M' greentint -8.774 2.408 -6.241 {"}'M' greentint -8.948 2.217 -6.25 {"}'M' greentint -9.17 2.086 -6.256 {"}'M' greentint -8.628 2.896 -6.22 {"}'M' greentint -8.835 2.624 -6.025 {"}'M' greentint -8.971 2.403 -6.034 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 46 A}'M' green -9.711 1.278 -5.196 {"}'M' green -9.293 1.902 -5.169 {"}'M' green -9.819 1.146 -4.961 {"}'M' green -9.819 1.124 -4.443 {"}'M' green -9.711 1.234 -4.197 {"}'M' green -9.293 1.858 -4.17 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 46 A}'M' greentint -9.637 1.525 -5.185 {"}'M' greentint -9.493 1.739 -5.176 {"}'M' greentint -9.786 1.396 -4.95 {"}'M' greentint -9.69 1.629 -4.94 {"}'M' greentint -9.536 1.829 -4.931 {"}'M' greentint -9.336 1.982 -4.924 {"}'M' greentint -9.846 1.252 -4.697 {"}'M' greentint -9.786 1.495 -4.686 {"}'M' greentint -9.667 1.716 -4.677 {"}'M' greentint -9.497 1.9 -4.669 {"}'M' greentint -9.286 2.036 -4.663 {"}'M' greentint -9.786 1.373 -4.433 {"}'M' greentint -9.69 1.606 -4.422 {"}'M' greentint -9.536 1.806 -4.414 {"}'M' greentint -9.336 1.959 -4.407 {"}'M' greentint -9.637 1.481 -4.186 {"}'M' greentint -9.493 1.696 -4.177 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 34 A}'M' green -9.496 1.858 -5.298 {"}'M' green -9.619 1.637 -5.308 {"}'M' green -9.324 2.095 -5.047 {"}'M' green -9.86 1.251 -5.083 {"}'M' green -9.278 2.075 -4.793 {"}'M' green -9.276 2.072 -4.535 {"}'M' green -9.326 2.054 -4.281 {"}'M' green -9.867 1.212 -4.318 {"}'M' green -9.493 1.811 -4.051 {"}'M' green -9.615 1.589 -4.06 {"}'M' sea -9.779 1.396 -4.069 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 34 A}'M' greentint -9.395 1.849 -5.057 {"}'M' greentint -9.511 1.621 -5.067 {"}'M' greentint -9.668 1.419 -5.076 {"}'M' greentint -9.348 1.828 -4.804 {"}'M' greentint -9.463 1.597 -4.814 {"}'M' greentint -9.618 1.392 -4.823 {"}'M' greentint -9.808 1.219 -4.831 {"}'M' greentint -9.345 1.824 -4.546 {"}'M' greentint -9.458 1.593 -4.556 {"}'M' greentint -9.612 1.387 -4.565 {"}'M' greentint -9.801 1.213 -4.572 {"}'M' greentint -9.398 1.808 -4.292 {"}'M' greentint -9.515 1.581 -4.302 {"}'M' greentint -9.673 1.38 -4.311 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n met A 9 2a50A_11F_30G}P -12.054 -2.139 0.707 {"}-12.054 -2.139 0.707 { ca met A 9 2a50A_11F_30G}-10.727 -2.318 0.121 { c met A 9 2a50A_11F_30G}-10.606 -1.32 -1.031 { o met A 9 2a50A_11F_30G}-11.523 -1.228 -1.856 { c met A 9 2a50A_11F_30G}P -10.606 -1.32 -1.031 { n pro A 10 2a50A_11F_30G}-9.487 -0.587 -1.098 { ca pro A 10 2a50A_11F_30G}-9.287 0.341 -2.22 { c pro A 10 2a50A_11F_30G}-8.682 -0.355 -3.436 { o pro A 10 2a50A_11F_30G}-8.124 -1.446 -3.308 { c pro A 10 2a50A_11F_30G}P -8.682 -0.355 -3.436 { n phe A 11 2a50A_11F_30G}-8.778 0.292 -4.603 { ca phe A 11 2a50A_11F_30G}-8.11 -0.196 -5.796 { c phe A 11 2a50A_11F_30G}-7.656 0.942 -6.699 { o phe A 11 2a50A_11F_30G}-8.15 2.057 -6.586 { c phe A 11 2a50A_11F_30G}P -7.656 0.942 -6.699 { n lys A 12 2a50A_11F_30G}-6.698 0.64 -7.566 { ca lys A 12 2a50A_11F_30G}-6.16 1.6 -8.53 { c lys A 12 2a50A_11F_30G}-6.063 0.895 -9.855 { o lys A 12 2a50A_11F_30G}-5.838 -0.308 -9.879 { c lys A 12 2a50A_11F_30G}P -6.063 0.895 -9.855 {"}P -6.063 0.895 -9.855 { n gly A 28 2a50A_11F_30G}P -7.247 5.339 -12.752 {"}-7.247 5.339 -12.752 { ca gly A 28 2a50A_11F_30G}-8.465 5.322 -11.96 { c gly A 28 2a50A_11F_30G}-8.178 4.935 -10.528 { o gly A 28 2a50A_11F_30G}-7.183 4.287 -10.25 { n gly A 28 2a50A_11F_30G}P -7.247 5.339 -12.752 {"}-7.247 5.339 -12.752 { c gly A 28 2a50A_11F_30G}P -8.178 4.935 -10.528 { n lys A 29 2a50A_11F_30G}-9.1 5.31 -9.65 { ca lys A 29 2a50A_11F_30G}-8.994 5.011 -8.224 { c lys A 29 2a50A_11F_30G}-10.384 4.799 -7.673 { o lys A 29 2a50A_11F_30G}-11.321 5.546 -8 { c lys A 29 2a50A_11F_30G}P -10.384 4.799 -7.673 { n gly A 30 2a50A_11F_30G}-10.521 3.786 -6.828 { ca gly A 30 2a50A_11F_30G}-11.822 3.495 -6.264 { c gly A 30 2a50A_11F_30G}-11.743 2.746 -4.952 { o gly A 30 2a50A_11F_30G}-10.663 2.523 -4.405 { c gly A 30 2a50A_11F_30G}P -11.743 2.746 -4.952 { n glu A 31 2a50A_11F_30G}-12.913 2.365 -4.464 { ca glu A 31 2a50A_11F_30G}-13.044 1.579 -3.249 { c glu A 31 2a50A_11F_30G}-14.305 0.778 -3.323 { o glu A 31 2a50A_11F_30G}-15.283 1.201 -3.949 { c glu A 31 2a50A_11F_30G}P -14.305 0.778 -3.323 { n gly A 32 2a50A_11F_30G}-14.292 -0.37 -2.67 { ca gly A 32 2a50A_11F_30G}-15.496 -1.169 -2.592 { c gly A 32 2a50A_11F_30G}-15.58 -1.959 -1.312 { o gly A 32 2a50A_11F_30G}-14.662 -1.947 -0.481 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n met A 9 2a50A_11F_30G}P -12.054 -2.139 0.707 { ca met A 9 2a50A_11F_30G}P -10.727 -2.318 0.121 { ca pro A 10 2a50A_11F_30G}P -9.287 0.341 -2.22 { n phe A 11 2a50A_11F_30G}P -8.778 0.292 -4.603 { ca phe A 11 2a50A_11F_30G}P -8.11 -0.196 -5.796 { n lys A 12 2a50A_11F_30G}P -6.698 0.64 -7.566 { ca lys A 12 2a50A_11F_30G}P -6.16 1.6 -8.53 { n gly A 28 2a50A_11F_30G}P -7.247 5.339 -12.752 { ca gly A 28 2a50A_11F_30G}P -8.465 5.322 -11.96 {"}P -8.465 5.322 -11.96 { n lys A 29 2a50A_11F_30G}P -9.1 5.31 -9.65 { ca lys A 29 2a50A_11F_30G}P -8.994 5.011 -8.224 { n gly A 30 2a50A_11F_30G}P -10.521 3.786 -6.828 { ca gly A 30 2a50A_11F_30G}P -11.822 3.495 -6.264 {"}P -11.822 3.495 -6.264 { n glu A 31 2a50A_11F_30G}P -12.913 2.365 -4.464 { ca glu A 31 2a50A_11F_30G}P -13.044 1.579 -3.249 { n gly A 32 2a50A_11F_30G}P -14.292 -0.37 -2.67 { ca gly A 32 2a50A_11F_30G}P -15.496 -1.169 -2.592 {"}P -15.496 -1.169 -2.592 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca met A 9 2a50A_11F_30G}P -10.727 -2.318 0.121 {"}-10.727 -2.318 0.121 { ca pro A 10 2a50A_11F_30G}-9.287 0.341 -2.22 { ca phe A 11 2a50A_11F_30G}-8.11 -0.196 -5.796 { ca lys A 12 2a50A_11F_30G}-6.16 1.6 -8.53 {"}P -6.16 1.6 -8.53 { ca gly A 28 2a50A_11F_30G}P -8.465 5.322 -11.96 {"}P -8.465 5.322 -11.96 { ca lys A 29 2a50A_11F_30G}-8.994 5.011 -8.224 { ca gly A 30 2a50A_11F_30G}-11.822 3.495 -6.264 { ca glu A 31 2a50A_11F_30G}-13.044 1.579 -3.249 { ca gly A 32 2a50A_11F_30G}-15.496 -1.169 -2.592 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca met A 9 2a50A_11F_30G}P -10.727 -2.318 0.121 { ca pro A 10 2a50A_11F_30G}P -9.287 0.341 -2.22 { n pro A 10 2a50A_11F_30G}P -9.487 -0.587 -1.098 { ca phe A 11 2a50A_11F_30G}P -8.11 -0.196 -5.796 { cb phe A 11 2a50A_11F_30G}-8.993 -1.179 -6.581 { cg phe A 11 2a50A_11F_30G}-10.372 -0.662 -6.967 { cd1 phe A 11 2a50A_11F_30G}-10.599 -0.106 -8.224 { ce1 phe A 11 2a50A_11F_30G}-11.902 0.276 -8.625 { cz phe A 11 2a50A_11F_30G}-12.985 0.119 -7.744 { cg phe A 11 2a50A_11F_30G}P -10.372 -0.662 -6.967 { cd2 phe A 11 2a50A_11F_30G}-11.475 -0.857 -6.126 { ce2 phe A 11 2a50A_11F_30G}-12.776 -0.445 -6.502 { cz phe A 11 2a50A_11F_30G}ghost -12.985 0.119 -7.744 { ca lys A 12 2a50A_11F_30G}P -6.16 1.6 -8.53 { ca lys A 29 2a50A_11F_30G}P -8.994 5.011 -8.224 { ca glu A 31 2a50A_11F_30G}P -13.044 1.579 -3.249 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 11 2a50A_11F_30G}P -8.993 -1.179 -6.581 {"}P -8.993 -1.179 -6.581 { cd1 phe A 11 2a50A_11F_30G}P -10.599 -0.106 -8.224 { cd2 phe A 11 2a50A_11F_30G}P -11.475 -0.857 -6.126 { ce1 phe A 11 2a50A_11F_30G}P -11.902 0.276 -8.625 { ce2 phe A 11 2a50A_11F_30G}P -12.776 -0.445 -6.502 { cz phe A 11 2a50A_11F_30G}P -12.985 0.119 -7.744 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 11 2a50A_11F_30G}P -8.11 -0.196 -5.796 { cb phe A 11 2a50A_11F_30G}-8.993 -1.179 -6.581 { cg phe A 11 2a50A_11F_30G}-10.372 -0.662 -6.967 { cd1 phe A 11 2a50A_11F_30G}-10.599 -0.106 -8.224 { ce1 phe A 11 2a50A_11F_30G}-11.902 0.276 -8.625 { cz phe A 11 2a50A_11F_30G}-12.985 0.119 -7.744 { cg phe A 11 2a50A_11F_30G}P -10.372 -0.662 -6.967 { cd2 phe A 11 2a50A_11F_30G}-11.475 -0.857 -6.126 { ce2 phe A 11 2a50A_11F_30G}-12.776 -0.445 -6.502 { cz phe A 11 2a50A_11F_30G}ghost -12.985 0.119 -7.744 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 11 2a50A_11F_30G}P -8.993 -1.179 -6.581 {"}P -8.993 -1.179 -6.581 { cd1 phe A 11 2a50A_11F_30G}P -10.599 -0.106 -8.224 { cd2 phe A 11 2a50A_11F_30G}P -11.475 -0.857 -6.126 { ce1 phe A 11 2a50A_11F_30G}P -11.902 0.276 -8.625 { ce2 phe A 11 2a50A_11F_30G}P -12.776 -0.445 -6.502 { cz phe A 11 2a50A_11F_30G}P -12.985 0.119 -7.744 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 11 A}'P' blue -12.354 1.903 -8.164 {"}'P' blue -12.098 1.952 -8.162 {"}'P' sky -12.413 1.793 -7.919 {"}'P' sky -12.165 1.854 -7.916 {"}'P' sky -11.91 1.876 -7.915 {"}'P' blue -11.655 1.857 -7.916 {"}'P' sky -11.838 1.751 -7.685 {"}'P' sky -11.845 1.594 -7.475 { CZ PHE 11 A}'P' sky -13.115 1.863 -7.799 {"}'P' blue -11.951 1.458 -7.296 {"}'P' sky -13.248 1.697 -7.035 {"}'P' blue -12.034 1.413 -7.048 {"}'P' blue -13.178 1.583 -6.804 {"}'P' sky -12.42 1.486 -6.808 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 11 A}'P' sea -12.095 1.74 -7.685 { CZ PHE 11 A}'P' sea -12.855 1.863 -7.799 {"}'P' sea -12.597 1.824 -7.8 {"}'P' sea -13.124 1.851 -7.537 {"}'P' green -12.863 1.852 -7.537 {"}'P' green -12.605 1.815 -7.539 {"}'P' green -12.355 1.739 -7.542 {"}'P' sea -13.181 1.795 -7.281 {"}'P' green -12.92 1.805 -7.281 {"}'P' green -12.66 1.775 -7.282 {"}'P' green -12.408 1.706 -7.285 {"}'P' sea -12.17 1.599 -7.29 {"}'P' sea -12.993 1.719 -7.034 {"}'P' green -12.738 1.7 -7.035 {"}'P' green -12.489 1.641 -7.038 {"}'P' sea -12.253 1.545 -7.042 {"}'P' sea -12.921 1.594 -6.804 {"}'P' sea -12.666 1.561 -6.805 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 30 A}'P' blue -12.037 2.309 -7.926 {"}'P' sky -12.275 2.222 -7.93 {"}'P' blue -12.529 2.222 -7.93 {"}'P' blue -11.797 2.247 -7.744 {"}'P' sky -12.014 2.104 -7.75 {"}'P' blue -12.995 2.236 -7.744 {"}'P' sky -11.803 2.055 -7.53 {"}'P' blue -13.191 2.224 -7.523 {"}'P' sky -11.9 1.888 -7.29 {"}'P' sky -12.089 1.774 -7.034 {"}'P' blue -13.251 2.096 -7.02 {"}'P' blue -12.14 1.779 -6.773 {"}'P' blue -13.107 1.993 -6.764 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 30 A}'P' sea -12.264 2.028 -7.753 {"}'P' sea -12.524 2.026 -7.753 {"}'P' sea -12.774 2.097 -7.75 {"}'P' sea -12.028 1.937 -7.535 {"}'P' sea -12.275 1.877 -7.538 {"}'P' green -12.529 1.877 -7.538 {"}'P' green -12.776 1.937 -7.535 {"}'P' sea -13.001 2.055 -7.53 {"}'P' sea -12.14 1.802 -7.294 {"}'P' green -12.394 1.772 -7.295 {"}'P' green -12.648 1.799 -7.294 {"}'P' green -12.89 1.881 -7.29 {"}'P' sea -13.107 2.015 -7.284 {"}'P' green -12.339 1.733 -7.036 {"}'P' green -12.591 1.747 -7.035 {"}'P' green -12.835 1.814 -7.032 {"}'P' sea -13.059 1.933 -7.027 {"}'P' sea -12.394 1.749 -6.775 {"}'P' sea -12.648 1.776 -6.773 {"}'P' sea -12.89 1.858 -6.77 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 11 A}'M' green -8.779 3.294 -6.403 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 11 A}'M' greentint -9.246 2.692 -7.183 {"}'M' greentint -9.101 2.9 -7.174 {"}'M' greentint -9.444 2.445 -6.953 {"}'M' greentint -9.351 2.683 -6.942 {"}'M' greentint -9.213 2.899 -6.933 {"}'M' greentint -9.038 3.085 -6.925 {"}'M' greentint -9.52 2.319 -6.704 {"}'M' greentint -9.45 2.566 -6.693 {"}'M' greentint -9.335 2.796 -6.683 {"}'M' greentint -9.18 3.001 -6.674 {"}'M' greentint -8.99 3.174 -6.667 {"}'M' greentint -9.522 2.299 -6.446 {"}'M' greentint -9.453 2.547 -6.435 {"}'M' greentint -9.34 2.778 -6.425 {"}'M' greentint -9.186 2.984 -6.416 {"}'M' greentint -8.997 3.158 -6.409 {"}'M' greentint -9.442 2.419 -6.187 {"}'M' greentint -9.347 2.657 -6.176 {"}'M' greentint -9.208 2.872 -6.167 {"}'M' greentint -9.032 3.057 -6.159 {"}'M' greentint -9.25 2.63 -5.936 {"}'M' greentint -9.106 2.839 -5.927 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 30 A}'M' greentint -8.951 2.957 -7.042 {"}'M' greentint -9.061 2.723 -7.053 {"}'M' greentint -9.235 2.533 -7.061 {"}'M' greentint -8.848 2.944 -6.801 {"}'M' greentint -8.944 2.711 -6.812 {"}'M' greentint -9.098 2.511 -6.82 {"}'M' greentint -9.298 2.358 -6.827 {"}'M' greentint -8.815 3.193 -6.791 {"}'M' greentint -8.81 2.941 -6.543 {"}'M' greentint -8.901 2.708 -6.553 {"}'M' greentint -9.047 2.504 -6.562 {"}'M' greentint -9.238 2.343 -6.569 {"}'M' greentint -9.464 2.234 -6.573 {"}'M' greentint -8.781 3.19 -6.532 {"}'M' greentint -8.848 2.921 -6.284 {"}'M' greentint -8.944 2.688 -6.294 {"}'M' greentint -9.098 2.488 -6.303 {"}'M' greentint -9.298 2.335 -6.31 {"}'M' greentint -8.815 3.171 -6.273 {"}'M' greentint -8.951 2.913 -6.043 {"}'M' greentint -9.061 2.68 -6.053 {"}'M' greentint -9.235 2.489 -6.062 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 11 A}'M' greentint -9.942 1.738 -5.21 {"}'M' greentint -9.742 1.901 -5.203 {"}'M' greentint -10.235 1.395 -4.984 {"}'M' greentint -10.139 1.628 -4.974 {"}'M' greentint -9.985 1.828 -4.965 {"}'M' greentint -9.785 1.981 -4.958 {"}'M' greentint -9.552 2.077 -4.954 {"}'M' greentint -10.295 1.251 -4.731 {"}'M' greentint -10.235 1.494 -4.72 {"}'M' greentint -10.116 1.715 -4.711 {"}'M' greentint -9.946 1.899 -4.703 {"}'M' greentint -9.735 2.035 -4.697 {"}'M' greentint -9.497 2.114 -4.693 {"}'M' greentint -10.235 1.372 -4.467 {"}'M' greentint -10.139 1.605 -4.456 {"}'M' greentint -9.985 1.805 -4.448 {"}'M' greentint -9.785 1.958 -4.441 {"}'M' greentint -9.552 2.055 -4.437 {"}'M' greentint -10.16 1.233 -4.231 {"}'M' greentint -10.086 1.48 -4.22 {"}'M' greentint -9.942 1.695 -4.211 {"}'M' greentint -9.742 1.857 -4.204 {"}'M' greentint -9.503 1.954 -4.2 {"}'M' greentint -9.903 1.475 -4.013 {"}'M' greentint -9.728 1.667 -4.005 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 30 A}'M' greentint -9.511 2.056 -5.05 {"}'M' greentint -9.634 1.835 -5.06 {"}'M' greentint -9.8 1.643 -5.068 {"}'M' greentint -10 1.488 -5.075 {"}'M' greentint -9.41 2.047 -4.809 {"}'M' greentint -9.526 1.819 -4.819 {"}'M' greentint -9.683 1.617 -4.828 {"}'M' greentint -9.875 1.449 -4.835 {"}'M' greentint -10.096 1.319 -4.841 {"}'M' greentint -9.363 2.026 -4.556 {"}'M' greentint -9.478 1.795 -4.566 {"}'M' greentint -9.633 1.59 -4.575 {"}'M' greentint -9.823 1.417 -4.583 {"}'M' greentint -10.042 1.282 -4.588 {"}'M' greentint -10.282 1.189 -4.593 {"}'M' greentint -9.36 2.022 -4.298 {"}'M' greentint -9.473 1.791 -4.308 {"}'M' greentint -9.627 1.585 -4.317 {"}'M' greentint -9.816 1.411 -4.324 {"}'M' greentint -10.034 1.274 -4.33 {"}'M' greentint -9.53 1.779 -4.054 {"}'M' greentint -9.688 1.578 -4.063 {"}'M' greentint -9.882 1.41 -4.07 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ala A 22 2axwA_93F_24G}P -7.173 6.15 -12.194 {"}-7.173 6.15 -12.194 { ca ala A 22 2axwA_93F_24G}-8.35 6.252 -11.339 { c ala A 22 2axwA_93F_24G}-8.075 5.508 -10.06 { o ala A 22 2axwA_93F_24G}-7.297 4.56 -10.035 { c ala A 22 2axwA_93F_24G}P -8.075 5.508 -10.06 { n thr A 23 2axwA_93F_24G}-8.702 5.937 -8.975 { ca thr A 23 2axwA_93F_24G}-8.641 5.232 -7.715 { c thr A 23 2axwA_93F_24G}-10.038 4.889 -7.279 { o thr A 23 2axwA_93F_24G}-10.961 5.696 -7.372 { c thr A 23 2axwA_93F_24G}P -10.038 4.889 -7.279 { n gly A 24 2axwA_93F_24G}-10.198 3.669 -6.834 { ca gly A 24 2axwA_93F_24G}-11.485 3.102 -6.535 { c gly A 24 2axwA_93F_24G}-11.558 2.469 -5.175 { o gly A 24 2axwA_93F_24G}-10.566 2.224 -4.47 { c gly A 24 2axwA_93F_24G}P -11.558 2.469 -5.175 { n arg A 25 2axwA_93F_24G}-12.785 2.114 -4.851 { ca arg A 25 2axwA_93F_24G}-13.051 1.296 -3.7 { c arg A 25 2axwA_93F_24G}-14.242 0.415 -3.998 { o arg A 25 2axwA_93F_24G}-15.09 0.751 -4.823 { c arg A 25 2axwA_93F_24G}P -14.242 0.415 -3.998 { n ile A 26 2axwA_93F_24G}-14.286 -0.707 -3.302 { ca ile A 26 2axwA_93F_24G}-15.401 -1.609 -3.319 { c ile A 26 2axwA_93F_24G}-15.85 -1.806 -1.874 { o ile A 26 2axwA_93F_24G}-15.036 -2.018 -0.974 { n val A 91 2axwA_93F_24G}P -12.367 -2.029 0.669 {"}-12.367 -2.029 0.669 { ca val A 91 2axwA_93F_24G}-10.962 -2.011 0.263 { c val A 91 2axwA_93F_24G}-10.817 -1.117 -0.959 { o val A 91 2axwA_93F_24G}-11.784 -0.892 -1.702 { c val A 91 2axwA_93F_24G}P -10.817 -1.117 -0.959 { n phe A 92 2axwA_93F_24G}-9.604 -0.647 -1.175 { ca phe A 92 2axwA_93F_24G}-9.258 0.271 -2.231 { c phe A 92 2axwA_93F_24G}-8.451 -0.436 -3.309 { o phe A 92 2axwA_93F_24G}-7.691 -1.355 -3.02 { c phe A 92 2axwA_93F_24G}P -8.451 -0.436 -3.309 { n phe A 93 2axwA_93F_24G}-8.606 0.025 -4.536 { ca phe A 93 2axwA_93F_24G}-7.834 -0.455 -5.675 { c phe A 93 2axwA_93F_24G}-7.584 0.705 -6.61 { o phe A 93 2axwA_93F_24G}-8.25 1.732 -6.541 { c phe A 93 2axwA_93F_24G}P -7.584 0.705 -6.61 { n asp A 94 2axwA_93F_24G}-6.63 0.531 -7.516 { ca asp A 94 2axwA_93F_24G}-6.315 1.543 -8.514 { c asp A 94 2axwA_93F_24G}-6.37 0.966 -9.904 { o asp A 94 2axwA_93F_24G}-6.153 -0.241 -10.117 { c asp A 94 2axwA_93F_24G}P -6.37 0.966 -9.904 { n val A 95 2axwA_93F_24G}-6.67 1.837 -10.861 { ca val A 95 2axwA_93F_24G}-6.486 1.579 -12.304 { c val A 95 2axwA_93F_24G}-5.256 2.386 -12.68 { o val A 95 2axwA_93F_24G}-5.224 3.61 -12.5 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ala A 22 2axwA_93F_24G}P -7.173 6.15 -12.194 { ca ala A 22 2axwA_93F_24G}P -8.35 6.252 -11.339 { n thr A 23 2axwA_93F_24G}P -8.702 5.937 -8.975 { ca thr A 23 2axwA_93F_24G}P -8.641 5.232 -7.715 { n gly A 24 2axwA_93F_24G}P -10.198 3.669 -6.834 { ca gly A 24 2axwA_93F_24G}P -11.485 3.102 -6.535 {"}P -11.485 3.102 -6.535 { n arg A 25 2axwA_93F_24G}P -12.785 2.114 -4.851 { ca arg A 25 2axwA_93F_24G}P -13.051 1.296 -3.7 { n ile A 26 2axwA_93F_24G}P -14.286 -0.707 -3.302 { ca ile A 26 2axwA_93F_24G}P -15.401 -1.609 -3.319 { n val A 91 2axwA_93F_24G}P -12.367 -2.029 0.669 { ca val A 91 2axwA_93F_24G}P -10.962 -2.011 0.263 { n phe A 92 2axwA_93F_24G}P -9.604 -0.647 -1.175 { ca phe A 92 2axwA_93F_24G}P -9.258 0.271 -2.231 { n phe A 93 2axwA_93F_24G}P -8.606 0.025 -4.536 { ca phe A 93 2axwA_93F_24G}P -7.834 -0.455 -5.675 { n asp A 94 2axwA_93F_24G}P -6.63 0.531 -7.516 { ca asp A 94 2axwA_93F_24G}P -6.315 1.543 -8.514 { n val A 95 2axwA_93F_24G}P -6.67 1.837 -10.861 { ca val A 95 2axwA_93F_24G}P -6.486 1.579 -12.304 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ala A 22 2axwA_93F_24G}P -8.35 6.252 -11.339 {"}-8.35 6.252 -11.339 { ca thr A 23 2axwA_93F_24G}-8.641 5.232 -7.715 { ca gly A 24 2axwA_93F_24G}-11.485 3.102 -6.535 { ca arg A 25 2axwA_93F_24G}-13.051 1.296 -3.7 { ca ile A 26 2axwA_93F_24G}-15.401 -1.609 -3.319 { ca val A 91 2axwA_93F_24G}P -10.962 -2.011 0.263 {"}-10.962 -2.011 0.263 { ca phe A 92 2axwA_93F_24G}-9.258 0.271 -2.231 { ca phe A 93 2axwA_93F_24G}-7.834 -0.455 -5.675 { ca asp A 94 2axwA_93F_24G}-6.315 1.543 -8.514 { ca val A 95 2axwA_93F_24G}-6.486 1.579 -12.304 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ala A 22 2axwA_93F_24G}P -8.35 6.252 -11.339 { ca thr A 23 2axwA_93F_24G}P -8.641 5.232 -7.715 { ca arg A 25 2axwA_93F_24G}P -13.051 1.296 -3.7 { ca ile A 26 2axwA_93F_24G}P -15.401 -1.609 -3.319 { ca val A 91 2axwA_93F_24G}P -10.962 -2.011 0.263 { ca phe A 92 2axwA_93F_24G}P -9.258 0.271 -2.231 { ca phe A 93 2axwA_93F_24G}P -7.834 -0.455 -5.675 { cb phe A 93 2axwA_93F_24G}-8.588 -1.58 -6.435 { cg phe A 93 2axwA_93F_24G}-9.877 -1.122 -7.063 { cd1 phe A 93 2axwA_93F_24G}-11.035 -1.136 -6.353 { ce1 phe A 93 2axwA_93F_24G}-12.214 -0.692 -6.911 { cz phe A 93 2axwA_93F_24G}-12.248 -0.196 -8.204 { cg phe A 93 2axwA_93F_24G}P -9.877 -1.122 -7.063 { cd2 phe A 93 2axwA_93F_24G}-9.906 -0.616 -8.351 { ce2 phe A 93 2axwA_93F_24G}-11.079 -0.173 -8.927 { cz phe A 93 2axwA_93F_24G}ghost -12.248 -0.196 -8.204 { ca asp A 94 2axwA_93F_24G}P -6.315 1.543 -8.514 { ca val A 95 2axwA_93F_24G}P -6.486 1.579 -12.304 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 93 2axwA_93F_24G}P -8.588 -1.58 -6.435 {"}P -8.588 -1.58 -6.435 { cd1 phe A 93 2axwA_93F_24G}P -11.035 -1.136 -6.353 { cd2 phe A 93 2axwA_93F_24G}P -9.906 -0.616 -8.351 { ce1 phe A 93 2axwA_93F_24G}P -12.214 -0.692 -6.911 { ce2 phe A 93 2axwA_93F_24G}P -11.079 -0.173 -8.927 { cz phe A 93 2axwA_93F_24G}P -12.248 -0.196 -8.204 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 93 2axwA_93F_24G}P -7.834 -0.455 -5.675 { cb phe A 93 2axwA_93F_24G}-8.588 -1.58 -6.435 { cg phe A 93 2axwA_93F_24G}-9.877 -1.122 -7.063 { cd1 phe A 93 2axwA_93F_24G}-11.035 -1.136 -6.353 { ce1 phe A 93 2axwA_93F_24G}-12.214 -0.692 -6.911 { cz phe A 93 2axwA_93F_24G}-12.248 -0.196 -8.204 { cg phe A 93 2axwA_93F_24G}P -9.877 -1.122 -7.063 { cd2 phe A 93 2axwA_93F_24G}-9.906 -0.616 -8.351 { ce2 phe A 93 2axwA_93F_24G}-11.079 -0.173 -8.927 { cz phe A 93 2axwA_93F_24G}ghost -12.248 -0.196 -8.204 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 93 2axwA_93F_24G}P -8.588 -1.58 -6.435 {"}P -8.588 -1.58 -6.435 { cd1 phe A 93 2axwA_93F_24G}P -11.035 -1.136 -6.353 { cd2 phe A 93 2axwA_93F_24G}P -9.906 -0.616 -8.351 { ce1 phe A 93 2axwA_93F_24G}P -12.214 -0.692 -6.911 { ce2 phe A 93 2axwA_93F_24G}P -11.079 -0.173 -8.927 { cz phe A 93 2axwA_93F_24G}P -12.248 -0.196 -8.204 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 93 A}'P' sky -12.344 1.052 -6.966 {"}'P' sky -11.576 0.937 -6.971 {"}'P' blue -12.353 1.04 -6.704 {"}'P' sky -12.092 1.041 -6.704 {"}'P' sky -11.834 1.004 -6.706 {"}'P' blue -11.584 0.928 -6.709 { CE2 PHE 93 A}'P' sky -11.531 1.454 -8.466 {"}'P' sky -11.275 1.503 -8.464 {"}'P' sky -11.087 1.427 -8.217 {"}'P' sky -11.015 1.302 -7.987 {"}'P' sky -11.022 1.145 -7.777 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 93 A}'P' sea -12.084 1.052 -6.966 {"}'P' sea -11.826 1.013 -6.967 { CE2 PHE 93 A}'P' sea -11.342 1.405 -8.218 {"}'P' sea -11.272 1.291 -7.987 { CZ PHE 93 A}'P' green -12.118 1.548 -8.259 {"}'P' green -11.86 1.509 -8.26 {"}'P' sea -11.61 1.433 -8.264 {"}'P' green -12.387 1.536 -7.997 {"}'P' green -11.383 1.312 -8.007 {"}'P' green -12.444 1.48 -7.741 {"}'P' green -11.433 1.284 -7.75 {"}'P' sea -11.214 1.143 -7.756 {"}'P' green -12.511 1.382 -7.495 {"}'P' sea -11.297 1.098 -7.508 {"}'P' green -12.441 1.268 -7.264 {"}'P' green -11.683 1.171 -7.268 {"}'P' sea -11.453 1.055 -7.274 {"}'P' sea -12.191 1.122 -7.054 {"}'P' green -11.933 1.087 -7.056 {"}'P' sea -11.687 1.003 -7.059 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 93 A}'P' P -12.126 1.537 -7.997 {"}'P' -12.127 1.524 -7.999 {"}'P' P -11.868 1.5 -7.999 {"}'P' -11.874 1.471 -8.003 {"}'P' P -11.618 1.424 -8.002 {"}'P' -11.619 1.423 -8.003 {"}'P' P -12.183 1.49 -7.741 {"}'P' -12.185 1.44 -7.754 {"}'P' P -11.923 1.46 -7.742 {"}'P' -11.938 1.385 -7.763 {"}'P' P -11.671 1.391 -7.745 {"}'P' -11.69 1.34 -7.76 {"}'P' P -12.256 1.404 -7.494 {"}'P' -12.256 1.371 -7.509 {"}'P' P -12.001 1.385 -7.495 {"}'P' -12.012 1.317 -7.526 {"}'P' P -11.752 1.326 -7.498 {"}'P' -11.771 1.27 -7.524 {"}'P' P -11.516 1.23 -7.502 {"}'P' -11.519 1.224 -7.505 {"}'P' P -12.184 1.279 -7.264 {"}'P' -12.184 1.275 -7.266 {"}'P' P -11.929 1.246 -7.265 {"}'P' -11.933 1.225 -7.279 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 24 A}'P' sky -11.365 1.756 -8.237 {"}'P' sky -11.125 1.694 -8.055 {"}'P' blue -10.941 1.671 -7.834 {"}'P' blue -11.012 1.472 -7.595 {"}'P' sky -11.603 1.279 -6.834 {"}'P' sky -11.857 1.279 -6.834 {"}'P' sky -12.104 1.34 -6.832 {"}'P' blue -12.329 1.458 -6.827 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 24 A}'P' sea -11.857 1.669 -8.241 {"}'P' sea -12.095 1.756 -8.237 {"}'P' sea -11.342 1.551 -8.061 {"}'P' green -11.592 1.475 -8.064 {"}'P' green -12.102 1.544 -8.061 {"}'P' green -12.323 1.683 -8.055 {"}'P' sea -11.131 1.502 -7.841 {"}'P' green -11.356 1.384 -7.846 {"}'P' sea -12.519 1.671 -7.834 {"}'P' sea -11.228 1.335 -7.601 {"}'P' green -12.435 1.462 -7.595 {"}'P' green -11.417 1.221 -7.345 {"}'P' green -12.387 1.38 -7.338 {"}'P' green -11.722 1.196 -7.086 {"}'P' green -11.976 1.223 -7.084 {"}'P' green -12.218 1.305 -7.081 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 24 A}'P' P -11.852 1.473 -8.064 {"}'P' -11.85 1.484 -8.055 {"}'P' P -11.603 1.324 -7.849 {"}'P' -11.606 1.35 -7.834 {"}'P' P -11.857 1.324 -7.849 {"}'P' -11.849 1.385 -7.815 {"}'P' P -12.104 1.384 -7.846 {"}'P' -12.084 1.435 -7.817 {"}'P' P -12.329 1.502 -7.841 {"}'P' -12.326 1.507 -7.838 {"}'P' P -11.468 1.249 -7.605 {"}'P' -11.468 1.25 -7.604 {"}'P' P -11.722 1.219 -7.606 {"}'P' -11.722 1.28 -7.589 {"}'P' P -11.976 1.246 -7.605 {"}'P' -11.959 1.323 -7.583 {"}'P' P -12.218 1.328 -7.601 {"}'P' -12.195 1.376 -7.587 {"}'P' P -11.667 1.18 -7.347 {"}'P' -11.667 1.194 -7.346 {"}'P' P -11.919 1.194 -7.346 {"}'P' -11.912 1.235 -7.345 {"}'P' P -12.163 1.261 -7.343 {"}'P' -12.153 1.287 -7.342 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 93 A}'M' greentint -9.188 2.375 -7.357 {"}'M' greentint -9.023 2.575 -7.349 {"}'M' greentint -8.816 2.731 -7.342 {"}'M' greentint -9.346 2.367 -7.138 {"}'M' greentint -9.201 2.575 -7.129 {"}'M' greentint -9.017 2.749 -7.121 {"}'M' greentint -8.802 2.883 -7.115 {"}'M' greentint -8.564 2.971 -7.112 {"}'M' greentint -9.544 2.12 -6.908 {"}'M' greentint -9.451 2.358 -6.897 {"}'M' greentint -9.313 2.574 -6.888 {"}'M' greentint -9.138 2.76 -6.88 {"}'M' greentint -8.93 2.91 -6.873 {"}'M' greentint -8.698 3.017 -6.868 {"}'M' greentint -9.55 2.241 -6.648 {"}'M' greentint -9.435 2.471 -6.638 {"}'M' greentint -9.28 2.676 -6.629 {"}'M' greentint -9.09 2.849 -6.622 {"}'M' greentint -8.871 2.984 -6.616 {"}'M' greentint -8.631 3.077 -6.612 {"}'M' greentint -9.553 2.222 -6.39 {"}'M' greentint -9.44 2.453 -6.38 {"}'M' greentint -9.286 2.659 -6.371 {"}'M' greentint -9.097 2.833 -6.364 {"}'M' greentint -8.879 2.969 -6.358 {"}'M' greentint -8.639 3.064 -6.354 {"}'M' greentint -9.447 2.332 -6.131 {"}'M' greentint -9.308 2.547 -6.122 {"}'M' greentint -9.132 2.732 -6.114 {"}'M' greentint -8.923 2.88 -6.107 {"}'M' greentint -8.69 2.987 -6.103 {"}'M' greentint -9.206 2.514 -5.882 {"}'M' greentint -9.023 2.69 -5.875 @subgroup {2->1} dominant @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { H GLY 24 A}'M' P -8.703 2.366 -6.7 {"}'M' -8.704 2.368 -6.7 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 24 A}'M' greentint -8.914 2.599 -7.397 {"}'M' greentint -8.607 2.819 -7.18 {"}'M' greentint -8.717 2.585 -7.191 {"}'M' greentint -8.891 2.395 -7.199 {"}'M' greentint -9.113 2.263 -7.205 {"}'M' greentint -9.364 2.204 -7.207 {"}'M' greentint -8.504 2.806 -6.939 {"}'M' greentint -8.6 2.573 -6.95 {"}'M' greentint -8.754 2.373 -6.958 {"}'M' greentint -8.954 2.22 -6.965 {"}'M' greentint -9.187 2.123 -6.969 {"}'M' greentint -9.437 2.09 -6.971 {"}'M' greentint -8.471 3.055 -6.929 {"}'M' greentint -8.466 2.803 -6.681 {"}'M' greentint -8.557 2.57 -6.691 {"}'M' greentint -8.894 2.205 -6.707 {"}'M' greentint -9.12 2.096 -6.711 {"}'M' greentint -9.366 2.047 -6.714 {"}'M' greentint -8.437 3.052 -6.67 {"}'M' greentint -8.504 2.783 -6.422 {"}'M' greentint -8.6 2.55 -6.432 {"}'M' greentint -8.754 2.35 -6.441 {"}'M' greentint -8.954 2.197 -6.448 {"}'M' greentint -9.187 2.101 -6.452 {"}'M' greentint -9.437 2.068 -6.454 {"}'M' greentint -8.471 3.033 -6.411 {"}'M' greentint -8.607 2.775 -6.181 {"}'M' greentint -8.717 2.542 -6.191 {"}'M' greentint -8.891 2.351 -6.2 {"}'M' greentint -9.113 2.22 -6.206 {"}'M' greentint -9.364 2.16 -6.208 {"}'M' greentint -8.571 3.03 -6.17 {"}'M' greentint -8.778 2.758 -5.975 {"}'M' greentint -8.914 2.537 -5.984 {"}'M' greentint -9.122 2.381 -5.991 {"}'M' greentint -9.372 2.31 -5.994 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 93 A}'M' greentint -9.907 1.343 -5.246 {"}'M' greentint -9.707 1.506 -5.239 {"}'M' greentint -10.2 1 -5.02 {"}'M' greentint -10.104 1.233 -5.01 {"}'M' greentint -9.95 1.433 -5.001 {"}'M' greentint -9.75 1.586 -4.994 {"}'M' greentint -9.517 1.682 -4.99 {"}'M' greentint -10.2 1.099 -4.756 {"}'M' greentint -10.081 1.32 -4.747 {"}'M' greentint -9.911 1.504 -4.739 {"}'M' greentint -9.7 1.64 -4.733 {"}'M' greentint -9.462 1.719 -4.729 {"}'M' greentint -10.2 0.977 -4.503 {"}'M' greentint -10.104 1.21 -4.492 {"}'M' greentint -9.95 1.41 -4.484 {"}'M' greentint -9.75 1.563 -4.477 {"}'M' greentint -9.517 1.66 -4.473 {"}'M' greentint -10.051 1.085 -4.256 {"}'M' greentint -9.907 1.3 -4.247 {"}'M' greentint -9.707 1.462 -4.24 {"}'M' greentint -9.468 1.559 -4.236 {"}'M' greentint -9.693 1.272 -4.041 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 24 A}'M' green -9.313 1.748 -4.874 {"}'M' green -10.241 0.935 -4.91 {"}'M' green -9.433 1.48 -4.119 {"}'M' green -10.007 0.984 -4.141 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 24 A}'M' greentint -9.537 1.536 -5.125 {"}'M' greentint -9.703 1.344 -5.133 {"}'M' greentint -9.903 1.189 -5.14 {"}'M' greentint -10.131 1.077 -5.145 {"}'M' greentint -9.429 1.52 -4.884 {"}'M' greentint -9.586 1.318 -4.893 {"}'M' greentint -9.778 1.15 -4.9 {"}'M' greentint -9.999 1.02 -4.906 {"}'M' greentint -9.266 1.727 -4.621 {"}'M' greentint -9.381 1.496 -4.631 {"}'M' greentint -9.536 1.291 -4.64 {"}'M' greentint -9.726 1.118 -4.648 {"}'M' greentint -9.945 0.983 -4.653 {"}'M' greentint -10.185 0.89 -4.658 {"}'M' greentint -9.376 1.492 -4.373 {"}'M' greentint -9.53 1.286 -4.382 {"}'M' greentint -9.719 1.112 -4.389 {"}'M' greentint -9.937 0.975 -4.395 {"}'M' greentint -10.177 0.881 -4.399 {"}'M' greentint -9.591 1.279 -4.128 {"}'M' greentint -9.785 1.111 -4.135 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n leu H 138 2bbkH_140F_150}P -12.073 -1.282 0.866 {"}-12.073 -1.282 0.866 { ca leu H 138 2bbkH_140F_150}-11.038 -1.828 0.031 { c leu H 138 2bbkH_140F_150}-10.786 -0.797 -1.044 { o leu H 138 2bbkH_140F_150}-11.747 -0.28 -1.609 { c leu H 138 2bbkH_140F_150}P -10.786 -0.797 -1.044 { n leu H 139 2bbkH_140F_150}-9.521 -0.468 -1.276 { ca leu H 139 2bbkH_140F_150}-9.148 0.491 -2.305 { c leu H 139 2bbkH_140F_150}-8.336 -0.216 -3.389 { o leu H 139 2bbkH_140F_150}-7.483 -1.044 -3.063 { c leu H 139 2bbkH_140F_150}P -8.336 -0.216 -3.389 { n phe H 140 2bbkH_140F_150}-8.516 0.116 -4.658 { ca phe H 140 2bbkH_140F_150}-7.75 -0.538 -5.707 { c phe H 140 2bbkH_140F_150}-7.374 0.46 -6.767 { o phe H 140 2bbkH_140F_150}-8.045 1.466 -6.944 { c phe H 140 2bbkH_140F_150}P -7.374 0.46 -6.767 { n tyr H 141 2bbkH_140F_150}-6.263 0.192 -7.436 { ca tyr H 141 2bbkH_140F_150}-5.759 1.125 -8.425 { c tyr H 141 2bbkH_140F_150}-6.26 0.855 -9.824 { o tyr H 141 2bbkH_140F_150}-6.312 -0.315 -10.211 { c tyr H 141 2bbkH_140F_150}P -6.26 0.855 -9.824 { n gln H 142 2bbkH_140F_150}-6.593 1.947 -10.534 { ca gln H 142 2bbkH_140F_150}-6.971 1.945 -11.95 { c gln H 142 2bbkH_140F_150}-5.875 2.667 -12.696 { o gln H 142 2bbkH_140F_150}-5.484 3.726 -12.267 { n ala H 148 2bbkH_140F_150}P -6.604 6.386 -11.101 {"}-6.604 6.386 -11.101 { ca ala H 148 2bbkH_140F_150}-7.637 6.606 -10.115 { c ala H 148 2bbkH_140F_150}-7.601 5.474 -9.125 { o ala H 148 2bbkH_140F_150}-6.986 4.426 -9.376 { c ala H 148 2bbkH_140F_150}P -7.601 5.474 -9.125 { n val H 149 2bbkH_140F_150}-8.31 5.682 -8.037 { ca val H 149 2bbkH_140F_150}-8.385 4.677 -7.003 { c val H 149 2bbkH_140F_150}-9.855 4.406 -6.723 { o val H 149 2bbkH_140F_150}-10.659 5.307 -6.49 { c val H 149 2bbkH_140F_150}P -9.855 4.406 -6.723 { n gly H 150 2bbkH_140F_150}-10.257 3.156 -6.852 { ca gly H 150 2bbkH_140F_150}-11.673 2.836 -6.641 { c gly H 150 2bbkH_140F_150}-11.933 2.574 -5.165 { o gly H 150 2bbkH_140F_150}-11.08 2.023 -4.476 { c gly H 150 2bbkH_140F_150}P -11.933 2.574 -5.165 { n val H 151 2bbkH_140F_150}-13.096 2.954 -4.675 { ca val H 151 2bbkH_140F_150}-13.463 2.751 -3.282 { c val H 151 2bbkH_140F_150}-14.544 1.689 -3.138 { o val H 151 2bbkH_140F_150}-15.633 1.835 -3.665 { c val H 151 2bbkH_140F_150}P -14.544 1.689 -3.138 { n val H 152 2bbkH_140F_150}-14.253 0.591 -2.433 { ca val H 152 2bbkH_140F_150}-15.253 -0.452 -2.275 { c val H 152 2bbkH_140F_150}-15.663 -0.504 -0.806 { o val H 152 2bbkH_140F_150}-14.819 -0.623 0.076 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n leu H 138 2bbkH_140F_150}P -12.073 -1.282 0.866 { ca leu H 138 2bbkH_140F_150}P -11.038 -1.828 0.031 { n leu H 139 2bbkH_140F_150}P -9.521 -0.468 -1.276 { ca leu H 139 2bbkH_140F_150}P -9.148 0.491 -2.305 { n phe H 140 2bbkH_140F_150}P -8.516 0.116 -4.658 { ca phe H 140 2bbkH_140F_150}P -7.75 -0.538 -5.707 { n tyr H 141 2bbkH_140F_150}P -6.263 0.192 -7.436 { ca tyr H 141 2bbkH_140F_150}P -5.759 1.125 -8.425 { n gln H 142 2bbkH_140F_150}P -6.593 1.947 -10.534 { ca gln H 142 2bbkH_140F_150}P -6.971 1.945 -11.95 { n ala H 148 2bbkH_140F_150}P -6.604 6.386 -11.101 { ca ala H 148 2bbkH_140F_150}P -7.637 6.606 -10.115 { n val H 149 2bbkH_140F_150}P -8.31 5.682 -8.037 { ca val H 149 2bbkH_140F_150}P -8.385 4.677 -7.003 { n gly H 150 2bbkH_140F_150}P -10.257 3.156 -6.852 { ca gly H 150 2bbkH_140F_150}P -11.673 2.836 -6.641 {"}P -11.673 2.836 -6.641 { n val H 151 2bbkH_140F_150}P -13.096 2.954 -4.675 { ca val H 151 2bbkH_140F_150}P -13.463 2.751 -3.282 { n val H 152 2bbkH_140F_150}P -14.253 0.591 -2.433 { ca val H 152 2bbkH_140F_150}P -15.253 -0.452 -2.275 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca leu H 138 2bbkH_140F_150}P -11.038 -1.828 0.031 {"}-11.038 -1.828 0.031 { ca leu H 139 2bbkH_140F_150}-9.148 0.491 -2.305 { ca phe H 140 2bbkH_140F_150}-7.75 -0.538 -5.707 { ca tyr H 141 2bbkH_140F_150}-5.759 1.125 -8.425 { ca gln H 142 2bbkH_140F_150}-6.971 1.945 -11.95 { ca ala H 148 2bbkH_140F_150}P -7.637 6.606 -10.115 {"}-7.637 6.606 -10.115 { ca val H 149 2bbkH_140F_150}-8.385 4.677 -7.003 { ca gly H 150 2bbkH_140F_150}-11.673 2.836 -6.641 { ca val H 151 2bbkH_140F_150}-13.463 2.751 -3.282 { ca val H 152 2bbkH_140F_150}-15.253 -0.452 -2.275 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca leu H 138 2bbkH_140F_150}P -11.038 -1.828 0.031 { ca leu H 139 2bbkH_140F_150}P -9.148 0.491 -2.305 { ca phe H 140 2bbkH_140F_150}P -7.75 -0.538 -5.707 { cb phe H 140 2bbkH_140F_150}-8.513 -1.704 -6.371 { cg phe H 140 2bbkH_140F_150}-9.767 -1.279 -7.105 { cd1 phe H 140 2bbkH_140F_150}-10.962 -1.14 -6.4 { ce1 phe H 140 2bbkH_140F_150}-12.141 -0.766 -7.046 { cz phe H 140 2bbkH_140F_150}-12.126 -0.505 -8.415 { cg phe H 140 2bbkH_140F_150}P -9.767 -1.279 -7.105 { cd2 phe H 140 2bbkH_140F_150}-9.772 -1.01 -8.474 { ce2 phe H 140 2bbkH_140F_150}-10.933 -0.594 -9.131 { cz phe H 140 2bbkH_140F_150}ghost -12.126 -0.505 -8.415 { ca tyr H 141 2bbkH_140F_150}P -5.759 1.125 -8.425 { ca gln H 142 2bbkH_140F_150}P -6.971 1.945 -11.95 { ca ala H 148 2bbkH_140F_150}P -7.637 6.606 -10.115 { ca val H 149 2bbkH_140F_150}P -8.385 4.677 -7.003 { ca val H 151 2bbkH_140F_150}P -13.463 2.751 -3.282 { ca val H 152 2bbkH_140F_150}P -15.253 -0.452 -2.275 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe H 140 2bbkH_140F_150}P -8.513 -1.704 -6.371 {"}P -8.513 -1.704 -6.371 { cd1 phe H 140 2bbkH_140F_150}P -10.962 -1.14 -6.4 { cd2 phe H 140 2bbkH_140F_150}P -9.772 -1.01 -8.474 { ce1 phe H 140 2bbkH_140F_150}P -12.141 -0.766 -7.046 { ce2 phe H 140 2bbkH_140F_150}P -10.933 -0.594 -9.131 { cz phe H 140 2bbkH_140F_150}P -12.126 -0.505 -8.415 @subgroup {sidechain} off @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe H 140 2bbkH_140F_150}P -7.75 -0.538 -5.707 { cb phe H 140 2bbkH_140F_150}-8.513 -1.704 -6.371 { cg phe H 140 2bbkH_140F_150}-9.767 -1.279 -7.105 { cd1 phe H 140 2bbkH_140F_150}-10.962 -1.14 -6.4 { ce1 phe H 140 2bbkH_140F_150}-12.141 -0.766 -7.046 { cz phe H 140 2bbkH_140F_150}-12.126 -0.505 -8.415 { cg phe H 140 2bbkH_140F_150}P -9.767 -1.279 -7.105 { cd2 phe H 140 2bbkH_140F_150}-9.772 -1.01 -8.474 { ce2 phe H 140 2bbkH_140F_150}-10.933 -0.594 -9.131 { cz phe H 140 2bbkH_140F_150}ghost -12.126 -0.505 -8.415 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe H 140 2bbkH_140F_150}P -8.513 -1.704 -6.371 {"}P -8.513 -1.704 -6.371 { cd1 phe H 140 2bbkH_140F_150}P -10.962 -1.14 -6.4 { cd2 phe H 140 2bbkH_140F_150}P -9.772 -1.01 -8.474 { ce1 phe H 140 2bbkH_140F_150}P -12.141 -0.766 -7.046 { ce2 phe H 140 2bbkH_140F_150}P -10.933 -0.594 -9.131 { cz phe H 140 2bbkH_140F_150}P -12.126 -0.505 -8.415 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 140 H}'P' green -12.601 0.892 -7.363 {"}'P' sea -11.333 0.752 -7.369 {"}'P' sea -12.779 0.863 -7.106 {"}'P' green -12.529 0.939 -7.102 {"}'P' green -11.503 0.863 -7.106 {"}'P' green -12.537 0.926 -6.841 {"}'P' green -11.511 0.854 -6.844 {"}'P' green -12.337 0.91 -6.583 {"}'P' green -12.076 0.92 -6.583 {"}'P' green -11.816 0.89 -6.584 {"}'P' sea -11.564 0.821 -6.587 { CZ PHE 140 H}'P' sea -12.522 1.187 -8.21 {"}'P' green -12.265 1.227 -8.208 {"}'P' green -12.004 1.228 -8.208 {"}'P' green -11.746 1.191 -8.21 {"}'P' sea -11.496 1.115 -8.213 {"}'P' green -12.578 1.122 -7.954 {"}'P' green -11.549 1.082 -7.956 {"}'P' sea -11.311 0.975 -7.961 {"}'P' green -12.637 1.012 -7.709 {"}'P' green -11.394 0.921 -7.713 {"}'P' green -12.57 0.905 -7.478 {"}'P' green -11.561 0.862 -7.479 {"}'P' sea -11.331 0.746 -7.485 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 PHE 140 H}'P' P -12.345 0.943 -7.361 {"}'P' -12.34 0.904 -7.354 {"}'P' P -12.084 0.955 -7.361 {"}'P' -12.087 0.878 -7.347 {"}'P' P -11.824 0.926 -7.362 {"}'P' -11.836 0.864 -7.35 {"}'P' P -11.572 0.858 -7.365 {"}'P' -11.573 0.856 -7.364 {"}'P' P -12.271 0.978 -7.101 {"}'P' -12.266 0.91 -7.099 {"}'P' P -12.011 0.978 -7.101 {"}'P' -12.018 0.886 -7.098 {"}'P' P -11.753 0.939 -7.102 {"}'P' -11.767 0.876 -7.1 {"}'P' P -12.28 0.966 -6.839 {"}'P' -12.277 0.937 -6.843 {"}'P' P -12.019 0.967 -6.839 {"}'P' -12.023 0.914 -6.846 {"}'P' P -11.761 0.93 -6.841 {"}'P' -11.767 0.901 -6.845 { CZ PHE 140 H}'P' P -12.322 1.171 -7.952 {"}'P' -12.319 1.149 -7.958 {"}'P' P -12.061 1.181 -7.952 {"}'P' -12.063 1.128 -7.966 {"}'P' P -11.801 1.151 -7.953 {"}'P' -11.809 1.112 -7.964 {"}'P' P -12.389 1.073 -7.706 {"}'P' -12.383 1.037 -7.722 {"}'P' P -12.134 1.095 -7.705 {"}'P' -12.134 1.015 -7.741 {"}'P' P -11.879 1.076 -7.706 {"}'P' -11.891 0.998 -7.741 {"}'P' P -11.63 1.017 -7.709 {"}'P' -11.641 0.985 -7.723 {"}'P' P -12.319 0.959 -7.475 {"}'P' -12.314 0.924 -7.498 {"}'P' P -12.062 0.97 -7.475 {"}'P' -12.064 0.905 -7.516 {"}'P' P -11.807 0.937 -7.476 {"}'P' -11.817 0.889 -7.507 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 150 H}'P' green -11.824 1.274 -8.178 {"}'P' green -12.078 1.274 -8.178 {"}'P' green -12.316 1.361 -8.174 {"}'P' green -11.563 1.156 -7.998 {"}'P' green -12.544 1.288 -7.992 {"}'P' green -11.352 1.107 -7.778 {"}'P' green -12.55 1.107 -7.778 {"}'P' green -11.449 0.94 -7.538 {"}'P' green -12.656 1.067 -7.532 {"}'P' green -11.403 0.919 -7.278 {"}'P' green -12.608 0.985 -7.275 {"}'P' green -11.449 0.917 -7.018 {"}'P' green -12.656 1.045 -7.012 {"}'P' green -11.577 0.945 -6.769 {"}'P' green -12.55 1.063 -6.764 {"}'P' green -11.813 1.017 -6.544 {"}'P' green -12.073 1.014 -6.544 {"}'P' sea -12.323 1.085 -6.541 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 150 H}'P' P -11.813 1.08 -8.001 {"}'P' -11.817 1.111 -7.974 {"}'P' P -12.073 1.078 -8.001 {"}'P' -12.067 1.12 -7.964 {"}'P' P -12.323 1.149 -7.998 {"}'P' -12.318 1.16 -7.988 {"}'P' P -11.577 0.989 -7.783 {"}'P' -11.583 1.005 -7.774 {"}'P' P -11.824 0.929 -7.786 {"}'P' -11.832 0.997 -7.749 {"}'P' P -12.078 0.929 -7.786 {"}'P' -12.068 1.009 -7.742 {"}'P' P -12.325 0.989 -7.783 {"}'P' -12.306 1.037 -7.756 {"}'P' P -11.689 0.854 -7.542 {"}'P' -11.698 0.89 -7.531 {"}'P' P -11.943 0.824 -7.543 {"}'P' -11.943 0.896 -7.523 {"}'P' P -12.197 0.851 -7.542 {"}'P' -12.183 0.915 -7.524 {"}'P' P -12.439 0.933 -7.538 {"}'P' -12.431 0.949 -7.533 {"}'P' P -11.638 0.826 -7.282 {"}'P' -11.647 0.857 -7.281 {"}'P' P -11.888 0.785 -7.284 {"}'P' -11.892 0.865 -7.28 {"}'P' P -12.14 0.799 -7.283 {"}'P' -12.127 0.881 -7.28 {"}'P' P -12.384 0.866 -7.28 {"}'P' -12.369 0.905 -7.279 {"}'P' P -11.689 0.831 -7.021 {"}'P' -11.699 0.874 -7.029 {"}'P' P -11.943 0.801 -7.023 {"}'P' -11.943 0.885 -7.038 {"}'P' P -12.197 0.828 -7.021 {"}'P' -12.181 0.902 -7.035 {"}'P' P -12.439 0.91 -7.018 {"}'P' -12.429 0.931 -7.022 {"}'P' P -11.824 0.884 -6.771 {"}'P' -11.826 0.906 -6.781 {"}'P' P -12.078 0.884 -6.771 {"}'P' -12.074 0.919 -6.786 {"}'P' P -12.325 0.945 -6.769 {"}'P' -12.324 0.948 -6.77 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 140 H}'M' greentint -8.983 2.109 -7.76 {"}'M' greentint -9.292 1.62 -7.562 {"}'M' greentint -9.241 1.868 -7.551 {"}'M' greentint -9.141 2.101 -7.541 {"}'M' greentint -8.996 2.309 -7.532 {"}'M' greentint -8.812 2.483 -7.524 {"}'M' greentint -9.386 1.602 -7.322 {"}'M' greentint -9.339 1.854 -7.311 {"}'M' greentint -9.246 2.092 -7.3 {"}'M' greentint -9.108 2.308 -7.291 {"}'M' greentint -8.933 2.494 -7.283 {"}'M' greentint -8.725 2.644 -7.276 {"}'M' greentint -9.439 1.472 -7.073 {"}'M' greentint -9.415 1.728 -7.062 {"}'M' greentint -9.345 1.975 -7.051 {"}'M' greentint -9.23 2.205 -7.041 {"}'M' greentint -9.075 2.41 -7.032 {"}'M' greentint -8.885 2.583 -7.025 {"}'M' greentint -9.439 1.452 -6.815 {"}'M' greentint -9.417 1.708 -6.804 {"}'M' greentint -9.348 1.956 -6.793 {"}'M' greentint -9.235 2.187 -6.783 {"}'M' greentint -9.081 2.393 -6.774 {"}'M' greentint -8.892 2.567 -6.767 {"}'M' greentint -9.337 1.828 -6.545 {"}'M' greentint -9.242 2.066 -6.534 {"}'M' greentint -9.103 2.281 -6.525 {"}'M' greentint -8.927 2.466 -6.517 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 150 H}'M' greentint -8.839 2.158 -7.598 {"}'M' greentint -8.949 1.924 -7.609 {"}'M' greentint -9.123 1.734 -7.617 {"}'M' greentint -8.803 2.413 -7.587 {"}'M' greentint -8.736 2.145 -7.357 {"}'M' greentint -8.832 1.912 -7.368 {"}'M' greentint -8.986 1.712 -7.376 {"}'M' greentint -9.186 1.559 -7.383 {"}'M' greentint -8.703 2.394 -7.347 {"}'M' greentint -8.698 2.142 -7.099 {"}'M' greentint -8.789 1.909 -7.109 {"}'M' greentint -8.935 1.705 -7.118 {"}'M' greentint -9.126 1.544 -7.125 {"}'M' greentint -9.352 1.435 -7.129 {"}'M' greentint -8.702 2.639 -7.077 {"}'M' greentint -8.669 2.391 -7.088 {"}'M' greentint -8.736 2.122 -6.84 {"}'M' greentint -8.832 1.889 -6.85 {"}'M' greentint -8.986 1.689 -6.859 {"}'M' greentint -9.186 1.536 -6.866 {"}'M' greentint -9.419 1.44 -6.87 {"}'M' greentint -8.736 2.621 -6.819 {"}'M' greentint -8.703 2.372 -6.829 {"}'M' greentint -8.839 2.114 -6.599 {"}'M' greentint -8.949 1.881 -6.609 {"}'M' greentint -9.123 1.69 -6.618 {"}'M' greentint -9.345 1.559 -6.624 {"}'M' greentint -8.803 2.369 -6.588 {"}'M' greentint -9.01 2.097 -6.393 {"}'M' greentint -9.146 1.876 -6.402 {"}'M' greentint -8.962 2.352 -6.382 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 140 H}'M' -9.857 0.909 -4.265 {"}'M' -9.588 1.343 -4.246 @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 140 H}'M' sea -10.095 1.071 -5.225 {"}'M' green -9.999 1.304 -5.215 {"}'M' green -9.845 1.504 -5.206 {"}'M' sea -9.645 1.657 -5.199 {"}'M' green -10.155 0.927 -4.972 {"}'M' green -9.806 1.575 -4.944 {"}'M' sea -9.595 1.711 -4.938 {"}'M' sea -10.128 0.799 -4.718 {"}'M' green -10.095 1.048 -4.708 {"}'M' green -9.645 1.634 -4.682 {"}'M' green -10.02 0.909 -4.472 {"}'M' green -9.946 1.156 -4.461 {"}'M' green -9.802 1.371 -4.452 {"}'M' sea -9.602 1.533 -4.445 {"}'M' sea -9.763 1.151 -4.254 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 140 H}'M' greentint -10.095 1.17 -4.961 {"}'M' greentint -9.976 1.391 -4.952 {"}'M' greentint -9.999 1.281 -4.697 {"}'M' greentint -9.845 1.481 -4.689 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 150 H}'M' sky -10.417 0.988 -5.146 {"}'M' sky -9.708 1.77 -4.358 {"}'M' sky -9.83 1.506 -4.115 @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 150 H}'M' sea -10.078 1.566 -5.34 {"}'M' sea -10.219 1.349 -5.35 {"}'M' sea -9.852 1.798 -5.11 {"}'M' green -9.928 1.556 -5.121 {"}'M' green -10.051 1.335 -5.131 {"}'M' green -10.217 1.143 -5.139 {"}'M' sea -9.756 1.793 -4.87 {"}'M' green -10.292 0.949 -4.906 {"}'M' sea -9.71 1.773 -4.616 {"}'M' green -9.78 1.526 -4.627 {"}'M' green -10.24 0.917 -4.654 {"}'M' green -9.777 1.522 -4.369 {"}'M' green -9.89 1.291 -4.379 {"}'M' green -10.044 1.085 -4.388 {"}'M' sea -10.233 0.911 -4.395 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 150 H}'M' greentint -9.827 1.547 -4.88 {"}'M' greentint -9.943 1.319 -4.89 {"}'M' greentint -10.1 1.117 -4.899 {"}'M' greentint -9.895 1.295 -4.637 {"}'M' greentint -10.05 1.09 -4.646 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n val A 115 2bhgA_129F_117}P -6.303 6.239 -11.232 {"}-6.303 6.239 -11.232 { ca val A 115 2bhgA_129F_117}-7.691 6.206 -10.807 { c val A 115 2bhgA_129F_117}-7.765 5.314 -9.565 { o val A 115 2bhgA_129F_117}-7.14 4.253 -9.522 { c val A 115 2bhgA_129F_117}P -7.765 5.314 -9.565 { n val A 116 2bhgA_129F_117}-8.515 5.749 -8.557 { ca val A 116 2bhgA_129F_117}-8.655 4.977 -7.327 { c val A 116 2bhgA_129F_117}-10.109 4.748 -6.937 { o val A 116 2bhgA_129F_117}-10.889 5.689 -6.862 { c val A 116 2bhgA_129F_117}P -10.109 4.748 -6.937 { n gly A 117 2bhgA_129F_117}-10.463 3.49 -6.692 { ca gly A 117 2bhgA_129F_117}-11.817 3.16 -6.284 { c gly A 117 2bhgA_129F_117}-11.853 2.858 -4.799 { o gly A 117 2bhgA_129F_117}-10.977 2.163 -4.279 { c gly A 117 2bhgA_129F_117}P -11.853 2.858 -4.799 { n val A 118 2bhgA_129F_117}-12.869 3.366 -4.11 { ca val A 118 2bhgA_129F_117}-13.002 3.17 -2.671 { c val A 118 2bhgA_129F_117}-14.159 2.221 -2.386 { o val A 118 2bhgA_129F_117}-15.314 2.532 -2.659 { c val A 118 2bhgA_129F_117}P -14.159 2.221 -2.386 { n val A 119 2bhgA_129F_117}-13.834 1.066 -1.822 { ca val A 119 2bhgA_129F_117}-14.83 0.041 -1.555 { c val A 119 2bhgA_129F_117}-14.969 -0.361 -0.094 { o val A 119 2bhgA_129F_117}-13.984 -0.41 0.642 { n leu A 127 2bhgA_129F_117}P -11.577 -1.798 1.152 {"}-11.577 -1.798 1.152 { ca leu A 127 2bhgA_129F_117}-10.473 -1.918 0.22 { c leu A 127 2bhgA_129F_117}-10.473 -0.841 -0.855 { o leu A 127 2bhgA_129F_117}-11.513 -0.273 -1.179 { c leu A 127 2bhgA_129F_117}P -10.473 -0.841 -0.855 { n ile A 128 2bhgA_129F_117}-9.291 -0.57 -1.402 { ca ile A 128 2bhgA_129F_117}-9.122 0.429 -2.457 { c ile A 128 2bhgA_129F_117}-8.642 -0.289 -3.716 { o ile A 128 2bhgA_129F_117}-7.808 -1.175 -3.623 { c ile A 128 2bhgA_129F_117}P -8.642 -0.289 -3.716 { n phe A 129 2bhgA_129F_117}-9.179 0.043 -4.885 { ca phe A 129 2bhgA_129F_117}-8.649 -0.579 -6.092 { c phe A 129 2bhgA_129F_117}-8.03 0.544 -6.905 { o phe A 129 2bhgA_129F_117}-8.558 1.643 -6.924 { c phe A 129 2bhgA_129F_117}P -8.03 0.544 -6.905 { n ser A 130 2bhgA_129F_117}-6.88 0.301 -7.527 { ca ser A 130 2bhgA_129F_117}-6.267 1.357 -8.311 { c ser A 130 2bhgA_129F_117}-6.065 0.909 -9.748 { o ser A 130 2bhgA_129F_117}-5.83 -0.27 -10.02 { c ser A 130 2bhgA_129F_117}P -6.065 0.909 -9.748 { n gly A 131 2bhgA_129F_117}-6.185 1.864 -10.661 { ca gly A 131 2bhgA_129F_117}-6.012 1.581 -12.072 { c gly A 131 2bhgA_129F_117}-5.659 2.857 -12.798 { o gly A 131 2bhgA_129F_117}-5.019 3.74 -12.235 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n val A 115 2bhgA_129F_117}P -6.303 6.239 -11.232 { ca val A 115 2bhgA_129F_117}P -7.691 6.206 -10.807 { n val A 116 2bhgA_129F_117}P -8.515 5.749 -8.557 { ca val A 116 2bhgA_129F_117}P -8.655 4.977 -7.327 { n gly A 117 2bhgA_129F_117}P -10.463 3.49 -6.692 { ca gly A 117 2bhgA_129F_117}P -11.817 3.16 -6.284 {"}P -11.817 3.16 -6.284 { n val A 118 2bhgA_129F_117}P -12.869 3.366 -4.11 { ca val A 118 2bhgA_129F_117}P -13.002 3.17 -2.671 { n val A 119 2bhgA_129F_117}P -13.834 1.066 -1.822 { ca val A 119 2bhgA_129F_117}P -14.83 0.041 -1.555 { n leu A 127 2bhgA_129F_117}P -11.577 -1.798 1.152 { ca leu A 127 2bhgA_129F_117}P -10.473 -1.918 0.22 { n ile A 128 2bhgA_129F_117}P -9.291 -0.57 -1.402 { ca ile A 128 2bhgA_129F_117}P -9.122 0.429 -2.457 { n phe A 129 2bhgA_129F_117}P -9.179 0.043 -4.885 { ca phe A 129 2bhgA_129F_117}P -8.649 -0.579 -6.092 { n ser A 130 2bhgA_129F_117}P -6.88 0.301 -7.527 { ca ser A 130 2bhgA_129F_117}P -6.267 1.357 -8.311 { n gly A 131 2bhgA_129F_117}P -6.185 1.864 -10.661 { ca gly A 131 2bhgA_129F_117}P -6.012 1.581 -12.072 {"}P -6.012 1.581 -12.072 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca val A 115 2bhgA_129F_117}P -7.691 6.206 -10.807 {"}-7.691 6.206 -10.807 { ca val A 116 2bhgA_129F_117}-8.655 4.977 -7.327 { ca gly A 117 2bhgA_129F_117}-11.817 3.16 -6.284 { ca val A 118 2bhgA_129F_117}-13.002 3.17 -2.671 { ca val A 119 2bhgA_129F_117}-14.83 0.041 -1.555 { ca leu A 127 2bhgA_129F_117}P -10.473 -1.918 0.22 {"}-10.473 -1.918 0.22 { ca ile A 128 2bhgA_129F_117}-9.122 0.429 -2.457 { ca phe A 129 2bhgA_129F_117}-8.649 -0.579 -6.092 { ca ser A 130 2bhgA_129F_117}-6.267 1.357 -8.311 { ca gly A 131 2bhgA_129F_117}-6.012 1.581 -12.072 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca val A 115 2bhgA_129F_117}P -7.691 6.206 -10.807 { ca val A 116 2bhgA_129F_117}P -8.655 4.977 -7.327 { ca val A 118 2bhgA_129F_117}P -13.002 3.17 -2.671 { ca val A 119 2bhgA_129F_117}P -14.83 0.041 -1.555 { ca leu A 127 2bhgA_129F_117}P -10.473 -1.918 0.22 { ca ile A 128 2bhgA_129F_117}P -9.122 0.429 -2.457 { ca phe A 129 2bhgA_129F_117}P -8.649 -0.579 -6.092 { cb phe A 129 2bhgA_129F_117}-9.724 -1.354 -6.884 { cg phe A 129 2bhgA_129F_117}-10.838 -0.51 -7.467 { cd1 phe A 129 2bhgA_129F_117}-10.657 0.205 -8.656 { ce1 phe A 129 2bhgA_129F_117}-11.721 0.909 -9.25 { cz phe A 129 2bhgA_129F_117}-12.972 0.901 -8.645 { cg phe A 129 2bhgA_129F_117}P -10.838 -0.51 -7.467 { cd2 phe A 129 2bhgA_129F_117}-12.092 -0.502 -6.873 { ce2 phe A 129 2bhgA_129F_117}-13.159 0.196 -7.453 { cz phe A 129 2bhgA_129F_117}ghost -12.972 0.901 -8.645 { ca ser A 130 2bhgA_129F_117}P -6.267 1.357 -8.311 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 129 2bhgA_129F_117}P -9.724 -1.354 -6.884 {"}P -9.724 -1.354 -6.884 { cd1 phe A 129 2bhgA_129F_117}P -10.657 0.205 -8.656 { cd2 phe A 129 2bhgA_129F_117}P -12.092 -0.502 -6.873 { ce1 phe A 129 2bhgA_129F_117}P -11.721 0.909 -9.25 { ce2 phe A 129 2bhgA_129F_117}P -13.159 0.196 -7.453 { cz phe A 129 2bhgA_129F_117}P -12.972 0.901 -8.645 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 129 2bhgA_129F_117}P -8.649 -0.579 -6.092 { cb phe A 129 2bhgA_129F_117}-9.724 -1.354 -6.884 { cg phe A 129 2bhgA_129F_117}-10.838 -0.51 -7.467 { cd1 phe A 129 2bhgA_129F_117}-10.657 0.205 -8.656 { ce1 phe A 129 2bhgA_129F_117}-11.721 0.909 -9.25 { cz phe A 129 2bhgA_129F_117}-12.972 0.901 -8.645 { cg phe A 129 2bhgA_129F_117}P -10.838 -0.51 -7.467 { cd2 phe A 129 2bhgA_129F_117}-12.092 -0.502 -6.873 { ce2 phe A 129 2bhgA_129F_117}-13.159 0.196 -7.453 { cz phe A 129 2bhgA_129F_117}ghost -12.972 0.901 -8.645 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 129 2bhgA_129F_117}P -9.724 -1.354 -6.884 {"}P -9.724 -1.354 -6.884 { cd1 phe A 129 2bhgA_129F_117}P -10.657 0.205 -8.656 { cd2 phe A 129 2bhgA_129F_117}P -12.092 -0.502 -6.873 { ce1 phe A 129 2bhgA_129F_117}P -11.721 0.909 -9.25 { ce2 phe A 129 2bhgA_129F_117}P -13.159 0.196 -7.453 { cz phe A 129 2bhgA_129F_117}P -12.972 0.901 -8.645 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CG PHE 129 A}'P' sky -11.483 1.104 -7.266 {"}'P' sky -11.234 1.182 -7.262 {"}'P' sky -11.29 1.117 -7.006 { CD1 PHE 129 A}'P' blue -11.101 1.615 -7.719 {"}'P' sky -11.559 1.185 -7.521 {"}'P' sky -11.348 1.337 -7.514 {"}'P' sky -11.112 1.446 -7.51 {"}'P' blue -11.098 1.254 -7.326 { CD2 PHE 129 A}'P' sky -11.845 1.079 -6.164 { CE1 PHE 129 A}'P' sky -11.235 1.703 -7.768 @dotlist {x} color= white width= 1 master= {vdw contact} { CD2 PHE 129 A}'P' sea -11.523 1.122 -7.192 {"}'P' green -11.704 1.203 -6.929 {"}'P' sea -11.454 1.127 -6.933 {"}'P' green -11.712 1.194 -6.668 {"}'P' sea -11.462 1.118 -6.671 {"}'P' green -12.027 1.184 -6.41 {"}'P' green -11.767 1.154 -6.411 {"}'P' sea -12.355 1.076 -6.164 {"}'P' sea -12.1 1.098 -6.163 { CE1 PHE 129 A}'P' green -11.924 2.213 -8.101 {"}'P' sea -11.664 2.227 -8.1 {"}'P' green -11.657 2.04 -7.917 {"}'P' sea -11.403 1.999 -7.918 {"}'P' green -11.474 1.799 -7.764 {"}'P' green -11.589 1.587 -7.642 {"}'P' sea -11.341 1.497 -7.646 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CD2 PHE 129 A}'P' P -11.97 1.231 -6.666 {"}'P' -11.972 1.194 -6.671 { CE1 PHE 129 A}'P' P -11.729 1.831 -7.762 {"}'P' -11.729 1.816 -7.787 { CE2 PHE 129 A}'P' P -12.077 1.559 -7.263 {"}'P' -12.178 1.432 -7.28 {"}'P' P -11.885 1.382 -7.27 {"}'P' -11.932 1.339 -7.277 {"}'P' P -13.094 1.882 -6.99 {"}'P' -13.097 1.806 -7.011 {"}'P' P -12.834 1.852 -6.991 {"}'P' -12.868 1.678 -7.04 {"}'P' P -12.125 1.535 -7.005 {"}'P' -12.242 1.383 -7.056 {"}'P' P -11.93 1.361 -7.012 {"}'P' -11.998 1.296 -7.037 {"}'P' P -13.167 1.796 -6.743 {"}'P' -13.167 1.769 -6.755 {"}'P' P -12.912 1.777 -6.744 {"}'P' -12.931 1.656 -6.798 {"}'P' P -12.208 1.49 -6.757 {"}'P' -12.307 1.355 -6.829 {"}'P' P -12.013 1.325 -6.764 {"}'P' -12.074 1.264 -6.801 {"}'P' P -13.095 1.671 -6.513 {"}'P' -13.095 1.665 -6.516 {"}'P' P -12.84 1.638 -6.514 {"}'P' -12.856 1.563 -6.563 {"}'P' P -12.594 1.563 -6.517 {"}'P' -12.637 1.458 -6.589 {"}'P' P -12.364 1.447 -6.523 {"}'P' -12.42 1.359 -6.588 {"}'P' P -12.158 1.294 -6.529 {"}'P' -12.193 1.256 -6.562 {"}'P' P -12.598 1.395 -6.308 {"}'P' -12.605 1.381 -6.322 { CZ PHE 129 A}'P' P -12.476 2.423 -7.939 {"}'P' -12.481 2.408 -7.946 {"}'P' P -12.24 2.327 -7.943 {"}'P' -12.256 2.295 -7.958 {"}'P' P -12.021 2.195 -7.949 {"}'P' -12.037 2.173 -7.96 {"}'P' P -12.908 2.376 -7.705 {"}'P' -12.909 2.357 -7.717 {"}'P' P -12.653 2.343 -7.706 {"}'P' -12.67 2.264 -7.758 {"}'P' P -12.407 2.268 -7.709 {"}'P' -12.453 2.157 -7.785 {"}'P' P -12.177 2.152 -7.715 {"}'P' -12.245 2.046 -7.794 {"}'P' P -11.971 1.999 -7.721 {"}'P' -12.037 1.927 -7.782 {"}'P' P -11.793 1.814 -7.729 {"}'P' -11.827 1.788 -7.756 {"}'P' P -12.915 2.219 -7.495 {"}'P' -12.918 2.148 -7.558 {"}'P' P -12.657 2.184 -7.497 {"}'P' -12.69 2.052 -7.615 {"}'P' P -11.988 1.803 -7.513 {"}'P' -12.08 1.718 -7.619 {"}'P' P -11.825 1.599 -7.522 {"}'P' -11.873 1.57 -7.569 {"}'P' P -13.165 2.019 -7.312 {"}'P' -13.162 2.003 -7.331 {"}'P' P -12.908 2.032 -7.312 {"}'P' -12.913 1.945 -7.415 {"}'P' P -12.024 1.565 -7.332 {"}'P' -12.102 1.51 -7.44 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { CE2 PHE 129 A}'P' P -12.582 1.783 -6.994 {"}'P' -12.666 1.553 -7.06 {"}'P' P -12.344 1.676 -6.999 {"}'P' -12.465 1.457 -7.066 {"}'P' P -12.663 1.718 -6.747 {"}'P' -12.722 1.539 -6.83 {"}'P' P -12.427 1.622 -6.751 {"}'P' -12.521 1.439 -6.841 { CZ PHE 129 A}'P' P -12.411 2.1 -7.5 {"}'P' -12.484 1.944 -7.65 {"}'P' P -12.185 1.972 -7.506 {"}'P' -12.285 1.836 -7.65 {"}'P' P -12.654 1.991 -7.313 {"}'P' -12.694 1.853 -7.482 {"}'P' P -12.414 1.896 -7.318 {"}'P' -12.497 1.749 -7.513 {"}'P' P -12.201 1.751 -7.324 {"}'P' -12.301 1.641 -7.495 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 117 A}'P' blue -11.245 1.823 -7.382 {"}'P' blue -11.281 1.597 -7.144 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 117 A}'P' green -11.734 2.09 -7.917 {"}'P' sea -11.67 2.344 -7.906 {"}'P' green -11.493 2.081 -7.778 {"}'P' sea -11.404 1.835 -7.603 {"}'P' green -11.573 1.637 -7.612 {"}'P' sea -11.579 1.445 -7.398 {"}'P' green -11.676 1.278 -7.158 {"}'P' green -11.63 1.257 -6.898 {"}'P' green -11.676 1.255 -6.638 {"}'P' green -11.804 1.283 -6.389 {"}'P' green -12.051 1.222 -6.391 {"}'P' sea -12.04 1.355 -6.164 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 117 A}'P' P -12.048 2.115 -8.002 {"}'P' -12.053 2.122 -7.956 {"}'P' P -12.308 2.115 -8.002 {"}'P' -12.296 2.131 -7.892 {"}'P' P -12.438 2.34 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-6.747 {"}'M' greentint -9.187 2.88 -6.741 {"}'M' greentint -8.947 2.975 -6.737 {"}'M' greentint -9.898 1.754 -6.536 {"}'M' greentint -9.85 2.005 -6.525 {"}'M' greentint -9.755 2.243 -6.514 {"}'M' greentint -9.616 2.458 -6.505 {"}'M' greentint -9.44 2.643 -6.497 {"}'M' greentint -9.231 2.791 -6.49 {"}'M' greentint -8.998 2.898 -6.486 {"}'M' greentint -9.756 1.983 -6.285 {"}'M' greentint -9.658 2.216 -6.274 {"}'M' greentint -9.514 2.425 -6.265 {"}'M' greentint -9.331 2.601 -6.258 {"}'M' greentint -9.117 2.736 -6.252 {"}'M' greentint -9.491 2.22 -6.054 {"}'M' greentint -9.325 2.418 -6.046 @subgroup {2->1} dominant @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { H GLY 117 A}'M' P -9.009 2.235 -7.047 {"}'M' -9.029 2.246 -7.04 {"}'M' P -9.163 2.035 -7.055 {"}'M' -9.186 2.058 -7.046 {"}'M' P -8.966 2.232 -6.788 {"}'M' -8.997 2.249 -6.787 {"}'M' P -9.112 2.028 -6.797 {"}'M' -9.153 2.067 -6.795 {"}'M' P -9.303 1.867 -6.804 {"}'M' -9.307 1.872 -6.803 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 117 A}'M' greentint -9.187 2.482 -7.485 {"}'M' greentint -9.323 2.261 -7.494 {"}'M' greentint -9.531 2.104 -7.501 {"}'M' greentint -9.139 2.737 -7.473 {"}'M' greentint -9.016 2.481 -7.277 {"}'M' greentint -9.126 2.247 -7.288 {"}'M' greentint -9.3 2.057 -7.296 {"}'M' greentint -9.522 1.925 -7.302 {"}'M' greentint -9.773 1.866 -7.304 {"}'M' greentint -8.98 2.736 -7.266 {"}'M' greentint -8.913 2.468 -7.036 {"}'M' greentint -9.363 1.882 -7.062 {"}'M' greentint -9.596 1.785 -7.066 {"}'M' greentint -9.846 1.752 -7.068 {"}'M' greentint -8.913 2.967 -7.015 {"}'M' greentint -8.88 2.717 -7.026 {"}'M' greentint -8.875 2.465 -6.778 {"}'M' greentint -9.529 1.758 -6.808 {"}'M' greentint -9.775 1.709 -6.811 {"}'M' greentint -8.879 2.962 -6.756 {"}'M' greentint -8.846 2.714 -6.767 {"}'M' greentint -8.913 2.445 -6.519 {"}'M' greentint -9.009 2.212 -6.529 {"}'M' greentint -9.163 2.012 -6.538 {"}'M' greentint -9.363 1.859 -6.545 {"}'M' greentint -9.596 1.763 -6.549 {"}'M' greentint -9.846 1.73 -6.551 {"}'M' greentint -8.88 2.695 -6.508 {"}'M' greentint -9.016 2.437 -6.278 {"}'M' greentint -9.126 2.204 -6.288 {"}'M' greentint -9.3 2.013 -6.297 {"}'M' greentint -9.522 1.882 -6.303 {"}'M' greentint -9.773 1.822 -6.305 {"}'M' greentint -8.98 2.692 -6.267 {"}'M' greentint -9.187 2.42 -6.072 {"}'M' greentint -9.323 2.199 -6.081 {"}'M' greentint -9.531 2.043 -6.088 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 129 A}'M' greentint -10.764 1.186 -5.257 {"}'M' greentint -10.61 1.386 -5.248 {"}'M' greentint -10.41 1.539 -5.241 {"}'M' greentint -10.177 1.635 -5.237 {"}'M' greentint -10.86 1.052 -5.003 {"}'M' greentint -10.741 1.273 -4.994 {"}'M' greentint -10.571 1.457 -4.986 {"}'M' greentint -10.36 1.593 -4.98 {"}'M' greentint -10.122 1.672 -4.976 {"}'M' greentint -9.872 1.69 -4.975 {"}'M' greentint -10.86 0.93 -4.75 {"}'M' greentint -10.764 1.163 -4.739 {"}'M' greentint -10.61 1.363 -4.731 {"}'M' greentint -10.41 1.516 -4.724 {"}'M' greentint -10.177 1.613 -4.72 {"}'M' greentint -9.927 1.646 -4.718 {"}'M' greentint -10.711 1.038 -4.503 {"}'M' greentint -10.567 1.253 -4.494 {"}'M' greentint -10.367 1.415 -4.487 {"}'M' greentint -10.128 1.512 -4.483 {"}'M' greentint -9.871 1.534 -4.482 {"}'M' greentint -10.528 1.033 -4.296 {"}'M' greentint -10.353 1.225 -4.288 {"}'M' greentint -10.121 1.341 -4.283 {"}'M' greentint -9.862 1.365 -4.282 {"}'M' greentint -10.184 1.083 -4.135 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 117 A}'M' greentint -10.333 1.519 -5.343 {"}'M' greentint -10.543 1.371 -5.349 {"}'M' greentint -10.116 1.489 -5.153 {"}'M' greentint -10.303 1.309 -5.161 {"}'M' greentint -10.527 1.178 -5.166 {"}'M' greentint -10.775 1.102 -5.17 {"}'M' greentint -9.948 1.475 -4.934 {"}'M' greentint -10.114 1.283 -4.942 {"}'M' greentint -10.314 1.128 -4.949 {"}'M' greentint -10.542 1.016 -4.954 {"}'M' greentint -10.787 0.953 -4.956 {"}'M' greentint -9.84 1.459 -4.693 {"}'M' greentint -9.997 1.257 -4.702 {"}'M' greentint -10.189 1.089 -4.709 {"}'M' greentint -10.41 0.959 -4.715 {"}'M' greentint -10.652 0.874 -4.719 {"}'M' greentint -9.792 1.435 -4.44 {"}'M' greentint -9.947 1.23 -4.449 {"}'M' greentint -10.137 1.057 -4.457 {"}'M' greentint -10.356 0.922 -4.462 {"}'M' greentint -10.596 0.829 -4.467 {"}'M' greentint -9.941 1.225 -4.191 {"}'M' greentint -10.13 1.051 -4.198 {"}'M' greentint -10.348 0.914 -4.204 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n trp A 294 2ckfA_304F_296}P -8.208 4.794 -12.674 {"}-8.208 4.794 -12.674 { ca trp A 294 2ckfA_304F_296}-9.175 4.97 -11.589 { c trp A 294 2ckfA_304F_296}-8.502 4.914 -10.24 { o trp A 294 2ckfA_304F_296}-7.517 4.176 -10.063 { c trp A 294 2ckfA_304F_296}P -8.502 4.914 -10.24 { n asn A 295 2ckfA_304F_296}-9.026 5.694 -9.299 { ca asn A 295 2ckfA_304F_296}-8.795 5.492 -7.879 { c asn A 295 2ckfA_304F_296}-10.194 5.143 -7.328 { o asn A 295 2ckfA_304F_296}-11.145 5.911 -7.515 { c asn A 295 2ckfA_304F_296}P -10.194 5.143 -7.328 { n gly A 296 2ckfA_304F_296}-10.333 3.968 -6.731 { ca gly A 296 2ckfA_304F_296}-11.67 3.558 -6.254 { c gly A 296 2ckfA_304F_296}-11.65 2.791 -4.956 { o gly A 296 2ckfA_304F_296}-10.563 2.39 -4.452 { c gly A 296 2ckfA_304F_296}P -11.65 2.791 -4.956 { n ala A 297 2ckfA_304F_296}-12.847 2.601 -4.401 { ca ala A 297 2ckfA_304F_296}-12.963 1.68 -3.267 { c ala A 297 2ckfA_304F_296}-14.262 0.91 -3.389 { o ala A 297 2ckfA_304F_296}-15.281 1.402 -3.966 { c ala A 297 2ckfA_304F_296}P -14.262 0.91 -3.389 { n ile A 298 2ckfA_304F_296}-14.202 -0.308 -2.847 { ca ile A 298 2ckfA_304F_296}-15.387 -1.163 -2.669 { c ile A 298 2ckfA_304F_296}-15.666 -1.105 -1.19 { o ile A 298 2ckfA_304F_296}-14.81 -1.436 -0.338 { n cys A 302 2ckfA_304F_296}P -11.957 -1.927 0.868 {"}-11.957 -1.927 0.868 { ca cys A 302 2ckfA_304F_296}-11.055 -2.39 -0.185 { c cys A 302 2ckfA_304F_296}-10.835 -1.195 -1.131 { o cys A 302 2ckfA_304F_296}-11.826 -0.541 -1.531 { c cys A 302 2ckfA_304F_296}P -10.835 -1.195 -1.131 { n ser A 303 2ckfA_304F_296}-9.574 -0.892 -1.431 { ca ser A 303 2ckfA_304F_296}-9.316 0.207 -2.38 { c ser A 303 2ckfA_304F_296}-8.394 -0.302 -3.51 { o ser A 303 2ckfA_304F_296}-7.704 -1.354 -3.395 { c ser A 303 2ckfA_304F_296}P -8.394 -0.302 -3.51 { n phe A 304 2ckfA_304F_296}-8.344 0.445 -4.618 { ca phe A 304 2ckfA_304F_296}-7.526 0.02 -5.719 { c phe A 304 2ckfA_304F_296}-7.196 1.213 -6.626 { o phe A 304 2ckfA_304F_296}-7.908 2.209 -6.63 { c phe A 304 2ckfA_304F_296}P -7.196 1.213 -6.626 { n leu A 305 2ckfA_304F_296}-6.107 1.098 -7.374 { ca leu A 305 2ckfA_304F_296}-5.897 2.009 -8.525 { c leu A 305 2ckfA_304F_296}-5.958 1.119 -9.743 { o leu A 305 2ckfA_304F_296}-5.152 0.227 -9.851 { c leu A 305 2ckfA_304F_296}P -5.958 1.119 -9.743 { n tyr A 306 2ckfA_304F_296}-6.91 1.346 -10.651 { ca tyr A 306 2ckfA_304F_296}-6.876 0.625 -11.933 { c tyr A 306 2ckfA_304F_296}-6.015 1.475 -12.886 { o tyr A 306 2ckfA_304F_296}-6.226 2.675 -12.992 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n trp A 294 2ckfA_304F_296}P -8.208 4.794 -12.674 { ca trp A 294 2ckfA_304F_296}P -9.175 4.97 -11.589 { n asn A 295 2ckfA_304F_296}P -9.026 5.694 -9.299 { ca asn A 295 2ckfA_304F_296}P -8.795 5.492 -7.879 { n gly A 296 2ckfA_304F_296}P -10.333 3.968 -6.731 { ca gly A 296 2ckfA_304F_296}P -11.67 3.558 -6.254 {"}P -11.67 3.558 -6.254 { n ala A 297 2ckfA_304F_296}P -12.847 2.601 -4.401 { ca ala A 297 2ckfA_304F_296}P -12.963 1.68 -3.267 { n ile A 298 2ckfA_304F_296}P -14.202 -0.308 -2.847 { ca ile A 298 2ckfA_304F_296}P -15.387 -1.163 -2.669 { n cys A 302 2ckfA_304F_296}P -11.957 -1.927 0.868 { ca cys A 302 2ckfA_304F_296}P -11.055 -2.39 -0.185 { n ser A 303 2ckfA_304F_296}P -9.574 -0.892 -1.431 { ca ser A 303 2ckfA_304F_296}P -9.316 0.207 -2.38 { n phe A 304 2ckfA_304F_296}P -8.344 0.445 -4.618 { ca phe A 304 2ckfA_304F_296}P -7.526 0.02 -5.719 { n leu A 305 2ckfA_304F_296}P -6.107 1.098 -7.374 { ca leu A 305 2ckfA_304F_296}P -5.897 2.009 -8.525 { n tyr A 306 2ckfA_304F_296}P -6.91 1.346 -10.651 { ca tyr A 306 2ckfA_304F_296}P -6.876 0.625 -11.933 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca trp A 294 2ckfA_304F_296}P -9.175 4.97 -11.589 {"}-9.175 4.97 -11.589 { ca asn A 295 2ckfA_304F_296}-8.795 5.492 -7.879 { ca gly A 296 2ckfA_304F_296}-11.67 3.558 -6.254 { ca ala A 297 2ckfA_304F_296}-12.963 1.68 -3.267 { ca ile A 298 2ckfA_304F_296}-15.387 -1.163 -2.669 { ca cys A 302 2ckfA_304F_296}P -11.055 -2.39 -0.185 {"}-11.055 -2.39 -0.185 { ca ser A 303 2ckfA_304F_296}-9.316 0.207 -2.38 { ca phe A 304 2ckfA_304F_296}-7.526 0.02 -5.719 { ca leu A 305 2ckfA_304F_296}-5.897 2.009 -8.525 { ca tyr A 306 2ckfA_304F_296}-6.876 0.625 -11.933 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca trp A 294 2ckfA_304F_296}P -9.175 4.97 -11.589 { ca asn A 295 2ckfA_304F_296}P -8.795 5.492 -7.879 { ca ala A 297 2ckfA_304F_296}P -12.963 1.68 -3.267 { ca ile A 298 2ckfA_304F_296}P -15.387 -1.163 -2.669 { ca cys A 302 2ckfA_304F_296}P -11.055 -2.39 -0.185 { ca ser A 303 2ckfA_304F_296}P -9.316 0.207 -2.38 { ca phe A 304 2ckfA_304F_296}P -7.526 0.02 -5.719 { cb phe A 304 2ckfA_304F_296}-8.179 -1.122 -6.51 { cg phe A 304 2ckfA_304F_296}-9.471 -0.753 -7.139 { cd1 phe A 304 2ckfA_304F_296}-10.65 -0.883 -6.425 { ce1 phe A 304 2ckfA_304F_296}-11.863 -0.46 -6.982 { cz phe A 304 2ckfA_304F_296}-11.897 0.072 -8.251 { cg phe A 304 2ckfA_304F_296}P -9.471 -0.753 -7.139 { cd2 phe A 304 2ckfA_304F_296}-9.498 -0.162 -8.438 { ce2 phe A 304 2ckfA_304F_296}-10.711 0.23 -9.006 { cz phe A 304 2ckfA_304F_296}ghost -11.897 0.072 -8.251 { ca leu A 305 2ckfA_304F_296}P -5.897 2.009 -8.525 { ca tyr A 306 2ckfA_304F_296}P -6.876 0.625 -11.933 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 304 2ckfA_304F_296}P -8.179 -1.122 -6.51 {"}P -8.179 -1.122 -6.51 { cd1 phe A 304 2ckfA_304F_296}P -10.65 -0.883 -6.425 { cd2 phe A 304 2ckfA_304F_296}P -9.498 -0.162 -8.438 { ce1 phe A 304 2ckfA_304F_296}P -11.863 -0.46 -6.982 { ce2 phe A 304 2ckfA_304F_296}P -10.711 0.23 -9.006 { cz phe A 304 2ckfA_304F_296}P -11.897 0.072 -8.251 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 304 2ckfA_304F_296}P -7.526 0.02 -5.719 { cb phe A 304 2ckfA_304F_296}-8.179 -1.122 -6.51 { cg phe A 304 2ckfA_304F_296}-9.471 -0.753 -7.139 { cd1 phe A 304 2ckfA_304F_296}-10.65 -0.883 -6.425 { ce1 phe A 304 2ckfA_304F_296}-11.863 -0.46 -6.982 { cz phe A 304 2ckfA_304F_296}-11.897 0.072 -8.251 { cg phe A 304 2ckfA_304F_296}P -9.471 -0.753 -7.139 { cd2 phe A 304 2ckfA_304F_296}-9.498 -0.162 -8.438 { ce2 phe A 304 2ckfA_304F_296}-10.711 0.23 -9.006 { cz phe A 304 2ckfA_304F_296}ghost -11.897 0.072 -8.251 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 304 2ckfA_304F_296}P -8.179 -1.122 -6.51 {"}P -8.179 -1.122 -6.51 { cd1 phe A 304 2ckfA_304F_296}P -10.65 -0.883 -6.425 { cd2 phe A 304 2ckfA_304F_296}P -9.498 -0.162 -8.438 { ce1 phe A 304 2ckfA_304F_296}P -11.863 -0.46 -6.982 { ce2 phe A 304 2ckfA_304F_296}P -10.711 0.23 -9.006 { cz phe A 304 2ckfA_304F_296}P -11.897 0.072 -8.251 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CZ PHE 304 A}'P' blue -12.293 1.764 -8.046 {"}'P' blue -12.036 1.804 -8.044 {"}'P' blue -11.775 1.805 -8.044 {"}'P' sky -12.349 1.699 -7.79 {"}'P' sky -11.832 1.758 -7.788 {"}'P' blue -11.572 1.728 -7.789 {"}'P' sky -12.408 1.589 -7.545 {"}'P' sky -11.65 1.653 -7.542 {"}'P' sky -12.341 1.482 -7.314 {"}'P' sky -12.09 1.536 -7.311 {"}'P' sky -11.833 1.547 -7.311 {"}'P' blue -11.578 1.514 -7.312 {"}'P' blue -12.1 1.376 -7.102 {"}'P' blue -11.84 1.39 -7.101 @dotlist {x} color= white width= 1 master= {vdw contact} { CZ PHE 304 A}'P' sea -12.093 1.748 -7.788 {"}'P' sea -12.16 1.65 -7.542 {"}'P' sea -11.905 1.672 -7.541 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 296 A}'P' blue -11.762 2.144 -7.791 {"}'P' sky -12.012 2.068 -7.794 {"}'P' sky -12.272 2.066 -7.794 {"}'P' blue -11.551 2.095 -7.571 {"}'P' sky -11.776 1.977 -7.576 {"}'P' blue -12.524 1.977 -7.576 {"}'P' sky -11.648 1.928 -7.331 {"}'P' sky -12.396 1.839 -7.335 {"}'P' blue -11.837 1.814 -7.075 {"}'P' sky -12.087 1.773 -7.077 {"}'P' blue -12.339 1.787 -7.076 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 296 A}'P' sea -12.023 1.917 -7.579 {"}'P' sea -12.277 1.917 -7.579 {"}'P' sea -11.888 1.842 -7.335 {"}'P' sea -12.142 1.812 -7.336 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 304 A}'M' green -9.004 2.844 -7.227 {"}'M' green -8.859 3.052 -7.218 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 304 A}'M' greentint -9.202 2.597 -6.997 {"}'M' greentint -9.109 2.835 -6.986 {"}'M' greentint -8.971 3.051 -6.977 {"}'M' greentint -8.796 3.237 -6.969 {"}'M' greentint -9.278 2.471 -6.748 {"}'M' greentint -9.208 2.718 -6.737 {"}'M' greentint -9.093 2.948 -6.727 {"}'M' greentint -8.938 3.153 -6.718 {"}'M' greentint -8.748 3.326 -6.711 {"}'M' greentint -9.28 2.451 -6.49 {"}'M' greentint -9.211 2.699 -6.479 {"}'M' greentint -9.098 2.93 -6.469 {"}'M' greentint -8.944 3.136 -6.46 {"}'M' greentint -8.755 3.31 -6.453 {"}'M' greentint -9.2 2.571 -6.231 {"}'M' greentint -9.105 2.809 -6.22 {"}'M' greentint -8.966 3.024 -6.211 {"}'M' greentint -8.79 3.209 -6.203 {"}'M' greentint -9.008 2.782 -5.98 {"}'M' greentint -8.864 2.991 -5.971 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 296 A}'M' greentint -8.765 3.087 -7.079 {"}'M' greentint -8.875 2.853 -7.09 {"}'M' greentint -9.049 2.663 -7.098 {"}'M' greentint -8.662 3.074 -6.838 {"}'M' greentint -8.758 2.841 -6.849 {"}'M' greentint -8.912 2.641 -6.857 {"}'M' greentint -9.112 2.488 -6.864 {"}'M' greentint -8.629 3.323 -6.828 {"}'M' greentint -8.624 3.071 -6.58 {"}'M' greentint -8.715 2.838 -6.59 {"}'M' greentint -8.861 2.634 -6.599 {"}'M' greentint -9.052 2.473 -6.606 {"}'M' greentint -9.278 2.364 -6.61 {"}'M' greentint -8.595 3.32 -6.569 {"}'M' greentint -8.662 3.051 -6.321 {"}'M' greentint -8.758 2.818 -6.331 {"}'M' greentint -8.912 2.618 -6.34 {"}'M' greentint -9.112 2.465 -6.347 {"}'M' greentint -8.629 3.301 -6.31 {"}'M' greentint -8.765 3.043 -6.08 {"}'M' greentint -8.875 2.81 -6.09 {"}'M' greentint -9.049 2.619 -6.099 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 304 A}'M' green -9.623 1.692 -5.24 {"}'M' green -9.479 1.906 -5.231 {"}'M' green -9.805 1.313 -5.016 {"}'M' green -9.44 1.643 -4.034 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 304 A}'M' greentint -9.772 1.563 -5.005 {"}'M' greentint -9.676 1.796 -4.995 {"}'M' greentint -9.522 1.996 -4.986 {"}'M' greentint -9.322 2.149 -4.979 {"}'M' greentint -9.832 1.419 -4.752 {"}'M' greentint -9.772 1.662 -4.741 {"}'M' greentint -9.653 1.883 -4.732 {"}'M' greentint -9.483 2.067 -4.724 {"}'M' greentint -9.272 2.203 -4.718 {"}'M' greentint -9.805 1.291 -4.498 {"}'M' greentint -9.772 1.54 -4.488 {"}'M' greentint -9.676 1.773 -4.477 {"}'M' greentint -9.522 1.973 -4.469 {"}'M' greentint -9.322 2.126 -4.462 {"}'M' greentint -9.697 1.401 -4.252 {"}'M' greentint -9.623 1.648 -4.241 {"}'M' greentint -9.479 1.863 -4.232 {"}'M' greentint -9.279 2.025 -4.225 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 296 A}'M' green -9.335 2.165 -5.086 {"}'M' green -9.588 1.445 -4.11 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 296 A}'M' greentint -9.411 1.923 -5.097 {"}'M' greentint -9.534 1.702 -5.107 {"}'M' greentint -9.7 1.51 -5.115 {"}'M' greentint -9.239 2.16 -4.846 {"}'M' greentint -9.31 1.914 -4.856 {"}'M' greentint -9.426 1.686 -4.866 {"}'M' greentint -9.583 1.484 -4.875 {"}'M' greentint -9.775 1.316 -4.882 {"}'M' greentint -9.193 2.14 -4.592 {"}'M' greentint -9.263 1.893 -4.603 {"}'M' greentint -9.378 1.662 -4.613 {"}'M' greentint -9.533 1.457 -4.622 {"}'M' greentint -9.723 1.284 -4.63 {"}'M' greentint -9.191 2.137 -4.334 {"}'M' greentint -9.26 1.889 -4.345 {"}'M' greentint -9.373 1.658 -4.355 {"}'M' greentint -9.527 1.452 -4.364 {"}'M' greentint -9.716 1.278 -4.371 {"}'M' greentint -9.313 1.873 -4.091 {"}'M' greentint -9.43 1.646 -4.101 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ser X 126 2f68X_128F_324}P -11.097 -1.118 1.811 {"}-11.097 -1.118 1.811 { ca ser X 126 2f68X_128F_324}-10.631 -1.83 0.622 { c ser X 126 2f68X_128F_324}-10.718 -0.922 -0.603 { o ser X 126 2f68X_128F_324}-11.639 -0.111 -0.711 { c ser X 126 2f68X_128F_324}P -10.718 -0.922 -0.603 { n gly X 127 2f68X_128F_324}-9.764 -1.062 -1.521 { ca gly X 127 2f68X_128F_324}-9.736 -0.227 -2.721 { c gly X 127 2f68X_128F_324}-8.853 -0.732 -3.846 { o gly X 127 2f68X_128F_324}-8.232 -1.792 -3.735 { c gly X 127 2f68X_128F_324}P -8.853 -0.732 -3.846 { n phe X 128 2f68X_128F_324}-8.802 0.038 -4.933 { ca phe X 128 2f68X_128F_324}-7.997 -0.312 -6.106 { c phe X 128 2f68X_128F_324}-7.426 0.91 -6.831 { o phe X 128 2f68X_128F_324}-7.87 2.04 -6.612 { c phe X 128 2f68X_128F_324}P -7.426 0.91 -6.831 { n ala X 129 2f68X_128F_324}-6.442 0.662 -7.694 { ca ala X 129 2f68X_128F_324}-5.828 1.701 -8.517 { c ala X 129 2f68X_128F_324}-5.564 1.176 -9.926 { o ala X 129 2f68X_128F_324}-4.673 0.348 -10.135 { c ala X 129 2f68X_128F_324}P -5.564 1.176 -9.926 { n glu X 130 2f68X_128F_324}-6.349 1.661 -10.884 { ca glu X 130 2f68X_128F_324}-6.245 1.228 -12.274 { c glu X 130 2f68X_128F_324}-5.702 2.355 -13.151 { o glu X 130 2f68X_128F_324}-6.265 3.452 -13.182 { n asn X 322 2f68X_128F_324}P -8.395 5.218 -13.252 {"}-8.395 5.218 -13.252 { ca asn X 322 2f68X_128F_324}-9.459 5.2 -12.249 { c asn X 322 2f68X_128F_324}-8.995 4.632 -10.91 { o asn X 322 2f68X_128F_324}-8.131 3.753 -10.865 { c asn X 322 2f68X_128F_324}P -8.995 4.632 -10.91 { n ala X 323 2f68X_128F_324}-9.578 5.138 -9.826 { ca ala X 323 2f68X_128F_324}-9.265 4.668 -8.478 { c ala X 323 2f68X_128F_324}-10.496 4.706 -7.577 { o ala X 323 2f68X_128F_324}-11.19 5.724 -7.499 { c ala X 323 2f68X_128F_324}P -10.496 4.706 -7.577 { n gly X 324 2f68X_128F_324}-10.76 3.588 -6.904 { ca gly X 324 2f68X_128F_324}-11.902 3.471 -6 { c gly X 324 2f68X_128F_324}-11.505 3 -4.614 { o gly X 324 2f68X_128F_324}-10.457 2.375 -4.44 { c gly X 324 2f68X_128F_324}P -11.505 3 -4.614 { n ile X 325 2f68X_128F_324}-12.35 3.305 -3.631 { ca ile X 325 2f68X_128F_324}-12.096 2.951 -2.23 { c ile X 325 2f68X_128F_324}-13.402 2.828 -1.434 { o ile X 325 2f68X_128F_324}-14.293 3.676 -1.543 { c ile X 325 2f68X_128F_324}P -13.402 2.828 -1.434 { n glu X 326 2f68X_128F_324}-13.507 1.756 -0.653 { ca glu X 326 2f68X_128F_324}-14.675 1.501 0.192 { c glu X 326 2f68X_128F_324}-14.289 1.509 1.669 { o glu X 326 2f68X_128F_324}-13.161 1.16 2.023 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ser X 126 2f68X_128F_324}P -11.097 -1.118 1.811 { ca ser X 126 2f68X_128F_324}P -10.631 -1.83 0.622 { n gly X 127 2f68X_128F_324}P -9.764 -1.062 -1.521 { ca gly X 127 2f68X_128F_324}P -9.736 -0.227 -2.721 {"}P -9.736 -0.227 -2.721 { n phe X 128 2f68X_128F_324}P -8.802 0.038 -4.933 { ca phe X 128 2f68X_128F_324}P -7.997 -0.312 -6.106 { n ala X 129 2f68X_128F_324}P -6.442 0.662 -7.694 { ca ala X 129 2f68X_128F_324}P -5.828 1.701 -8.517 { n glu X 130 2f68X_128F_324}P -6.349 1.661 -10.884 { ca glu X 130 2f68X_128F_324}P -6.245 1.228 -12.274 { n asn X 322 2f68X_128F_324}P -8.395 5.218 -13.252 { ca asn X 322 2f68X_128F_324}P -9.459 5.2 -12.249 { n ala X 323 2f68X_128F_324}P -9.578 5.138 -9.826 { ca ala X 323 2f68X_128F_324}P -9.265 4.668 -8.478 { n gly X 324 2f68X_128F_324}P -10.76 3.588 -6.904 { ca gly X 324 2f68X_128F_324}P -11.902 3.471 -6 {"}P -11.902 3.471 -6 { n ile X 325 2f68X_128F_324}P -12.35 3.305 -3.631 { ca ile X 325 2f68X_128F_324}P -12.096 2.951 -2.23 { n glu X 326 2f68X_128F_324}P -13.507 1.756 -0.653 { ca glu X 326 2f68X_128F_324}P -14.675 1.501 0.192 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ser X 126 2f68X_128F_324}P -10.631 -1.83 0.622 {"}-10.631 -1.83 0.622 { ca gly X 127 2f68X_128F_324}-9.736 -0.227 -2.721 { ca phe X 128 2f68X_128F_324}-7.997 -0.312 -6.106 { ca ala X 129 2f68X_128F_324}-5.828 1.701 -8.517 { ca glu X 130 2f68X_128F_324}-6.245 1.228 -12.274 { ca asn X 322 2f68X_128F_324}P -9.459 5.2 -12.249 {"}-9.459 5.2 -12.249 { ca ala X 323 2f68X_128F_324}-9.265 4.668 -8.478 { ca gly X 324 2f68X_128F_324}-11.902 3.471 -6 { ca ile X 325 2f68X_128F_324}-12.096 2.951 -2.23 { ca glu X 326 2f68X_128F_324}-14.675 1.501 0.192 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ser X 126 2f68X_128F_324}P -10.631 -1.83 0.622 { ca phe X 128 2f68X_128F_324}P -7.997 -0.312 -6.106 { cb phe X 128 2f68X_128F_324}-8.801 -1.196 -7.077 { cg phe X 128 2f68X_128F_324}-9.896 -0.466 -7.815 { cd1 phe X 128 2f68X_128F_324}-9.669 0.056 -9.086 { ce1 phe X 128 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{"}'P' -11.969 1.445 -7.356 {"}'P' P -12.298 1.411 -7.102 {"}'P' -12.298 1.409 -7.103 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 177 A}'P' sky -11.722 1.766 -7.908 {"}'P' sky -11.736 1.555 -6.679 {"}'P' blue -12.709 1.673 -6.674 {"}'P' sky -11.972 1.627 -6.454 {"}'P' sky -12.482 1.695 -6.451 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 177 A}'P' sea -11.972 1.69 -7.911 {"}'P' green -12.232 1.688 -7.911 {"}'P' sea -12.482 1.759 -7.908 {"}'P' green -11.736 1.599 -7.693 {"}'P' green -11.983 1.539 -7.696 {"}'P' green -12.484 1.599 -7.693 {"}'P' sea -12.709 1.717 -7.688 {"}'P' sea -11.608 1.55 -7.448 {"}'P' green -12.598 1.543 -7.448 {"}'P' sea -12.815 1.677 -7.442 {"}'P' sea -11.562 1.529 -7.188 {"}'P' green -11.797 1.436 -7.192 {"}'P' green -12.543 1.476 -7.19 {"}'P' sea -12.767 1.595 -7.185 {"}'P' sea -11.848 1.441 -6.931 {"}'P' green -12.102 1.411 -6.933 {"}'P' green -12.356 1.438 -6.931 {"}'P' sea -12.598 1.52 -6.928 {"}'P' green -11.983 1.494 -6.681 {"}'P' green -12.237 1.494 -6.681 {"}'P' sea -12.484 1.555 -6.679 {"}'P' sea -12.232 1.624 -6.454 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 177 A}'P' P -12.237 1.539 -7.696 {"}'P' -12.236 1.546 -7.692 {"}'P' P -11.848 1.464 -7.452 {"}'P' -11.848 1.465 -7.451 {"}'P' P -12.102 1.434 -7.453 {"}'P' -12.102 1.471 -7.443 {"}'P' P -12.356 1.461 -7.452 {"}'P' -12.35 1.489 -7.444 {"}'P' P -12.047 1.395 -7.194 {"}'P' -12.048 1.411 -7.193 {"}'P' P -12.299 1.409 -7.193 {"}'P' -12.296 1.427 -7.193 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 164 A}'M' greentint -9.264 2.468 -7.166 {"}'M' greentint -9.164 2.701 -7.156 {"}'M' greentint -9.019 2.909 -7.147 {"}'M' greentint -8.835 3.083 -7.139 {"}'M' greentint -9.362 2.454 -6.926 {"}'M' greentint -9.269 2.692 -6.915 {"}'M' greentint -9.131 2.908 -6.906 {"}'M' greentint -8.956 3.094 -6.898 {"}'M' greentint -8.748 3.244 -6.891 {"}'M' greentint -9.438 2.328 -6.677 {"}'M' greentint -9.368 2.575 -6.666 {"}'M' greentint -9.253 2.805 -6.656 {"}'M' greentint -9.098 3.01 -6.647 {"}'M' greentint -8.908 3.183 -6.64 {"}'M' greentint -8.689 3.318 -6.634 {"}'M' greentint -9.44 2.308 -6.419 {"}'M' greentint -9.371 2.556 -6.408 {"}'M' greentint -9.258 2.787 -6.398 {"}'M' greentint -9.104 2.993 -6.389 {"}'M' greentint -8.915 3.167 -6.382 {"}'M' greentint -9.36 2.428 -6.16 {"}'M' greentint -9.265 2.666 -6.149 {"}'M' greentint -9.126 2.881 -6.14 {"}'M' greentint -8.95 3.066 -6.132 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 177 A}'M' greentint -8.823 2.926 -7.157 {"}'M' greentint -8.933 2.692 -7.168 {"}'M' greentint -9.107 2.502 -7.176 {"}'M' greentint -8.72 2.913 -6.916 {"}'M' greentint -8.816 2.68 -6.927 {"}'M' greentint -8.97 2.48 -6.935 {"}'M' greentint -9.17 2.327 -6.942 {"}'M' greentint -9.403 2.23 -6.946 {"}'M' greentint -8.687 3.162 -6.906 {"}'M' greentint -8.682 2.91 -6.658 {"}'M' greentint -8.773 2.677 -6.668 {"}'M' greentint -8.919 2.473 -6.677 {"}'M' greentint -9.11 2.312 -6.684 {"}'M' greentint -9.336 2.203 -6.688 {"}'M' greentint -8.653 3.159 -6.647 {"}'M' greentint -8.72 2.89 -6.399 {"}'M' greentint -8.816 2.657 -6.409 {"}'M' greentint -8.97 2.457 -6.418 {"}'M' greentint -9.17 2.304 -6.425 {"}'M' greentint -9.403 2.208 -6.429 {"}'M' greentint -8.687 3.14 -6.388 {"}'M' greentint -8.823 2.882 -6.158 {"}'M' greentint -8.933 2.649 -6.168 {"}'M' greentint -9.107 2.458 -6.177 {"}'M' greentint -9.329 2.327 -6.183 {"}'M' greentint -8.787 3.137 -6.147 {"}'M' greentint -8.994 2.865 -5.952 {"}'M' greentint -9.13 2.644 -5.961 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 164 A}'M' greentint -9.736 1.668 -5.099 {"}'M' greentint -9.561 1.86 -5.091 {"}'M' greentint -9.993 1.408 -4.903 {"}'M' greentint -9.919 1.655 -4.892 {"}'M' greentint -9.775 1.869 -4.883 {"}'M' greentint -9.575 2.032 -4.876 {"}'M' greentint -9.336 2.128 -4.872 {"}'M' greentint -10.101 1.276 -4.668 {"}'M' greentint -10.068 1.526 -4.657 {"}'M' greentint -9.972 1.759 -4.647 {"}'M' greentint -9.818 1.959 -4.638 {"}'M' greentint -9.618 2.112 -4.631 {"}'M' greentint -9.385 2.208 -4.627 {"}'M' greentint -10.128 1.382 -4.404 {"}'M' greentint -10.068 1.625 -4.393 {"}'M' greentint -9.949 1.846 -4.384 {"}'M' greentint -9.779 2.03 -4.376 {"}'M' greentint -9.568 2.166 -4.37 {"}'M' greentint -9.33 2.245 -4.366 {"}'M' greentint -10.068 1.503 -4.14 {"}'M' greentint -9.972 1.736 -4.129 {"}'M' greentint -9.818 1.936 -4.121 {"}'M' greentint -9.618 2.089 -4.114 {"}'M' greentint -9.385 2.186 -4.11 {"}'M' greentint -9.919 1.611 -3.893 {"}'M' greentint -9.775 1.826 -3.884 {"}'M' greentint -9.575 1.988 -3.877 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 177 A}'M' greentint -9.312 2.071 -4.951 {"}'M' greentint -9.428 1.843 -4.961 {"}'M' greentint -9.585 1.641 -4.97 {"}'M' greentint -9.777 1.473 -4.977 {"}'M' greentint -9.265 2.05 -4.698 {"}'M' greentint -9.38 1.819 -4.708 {"}'M' greentint -9.535 1.614 -4.717 {"}'M' greentint -9.725 1.441 -4.725 {"}'M' greentint -9.944 1.306 -4.73 {"}'M' greentint -9.262 2.046 -4.44 {"}'M' greentint -9.375 1.815 -4.45 {"}'M' greentint -9.529 1.609 -4.459 {"}'M' greentint -9.718 1.435 -4.466 {"}'M' greentint -9.936 1.298 -4.472 {"}'M' greentint -9.315 2.03 -4.186 {"}'M' greentint -9.432 1.803 -4.196 {"}'M' greentint -9.59 1.602 -4.205 {"}'M' greentint -9.784 1.434 -4.212 {"}'M' greentint -10.006 1.307 -4.218 {"}'M' greentint -9.41 2.033 -3.945 {"}'M' greentint -9.532 1.811 -3.954 {"}'M' greentint -9.696 1.618 -3.963 {"}'M' greentint -9.895 1.462 -3.97 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n asn X 149 2fgqX_175Y_151}P -7.308 5.808 -12.553 {"}-7.308 5.808 -12.553 { ca asn X 149 2fgqX_175Y_151}-8.564 5.897 -11.811 { c asn X 149 2fgqX_175Y_151}-8.46 5.014 -10.577 { o asn X 149 2fgqX_175Y_151}-7.704 4.067 -10.552 { c asn X 149 2fgqX_175Y_151}P -8.46 5.014 -10.577 { n ala X 150 2fgqX_175Y_151}-9.238 5.344 -9.555 { ca ala X 150 2fgqX_175Y_151}-9.181 4.594 -8.298 { c ala X 150 2fgqX_175Y_151}-10.531 4.578 -7.616 { o ala X 150 2fgqX_175Y_151}-11.401 5.392 -7.894 { c ala X 150 2fgqX_175Y_151}P -10.531 4.578 -7.616 { n gly X 151 2fgqX_175Y_151}-10.679 3.63 -6.708 { ca gly X 151 2fgqX_175Y_151}-11.902 3.493 -5.929 { c gly X 151 2fgqX_175Y_151}-11.576 2.988 -4.533 { o gly X 151 2fgqX_175Y_151}-10.597 2.246 -4.342 { c gly X 151 2fgqX_175Y_151}P -11.576 2.988 -4.533 { n phe X 152 2fgqX_175Y_151}-12.36 3.447 -3.55 { ca phe X 152 2fgqX_175Y_151}-12.107 3.174 -2.155 { c phe X 152 2fgqX_175Y_151}-13.435 2.979 -1.429 { o phe X 152 2fgqX_175Y_151}-14.396 3.659 -1.711 { c phe X 152 2fgqX_175Y_151}P -13.435 2.979 -1.429 { n gly X 153 2fgqX_175Y_151}-13.455 2.037 -0.499 { ca gly X 153 2fgqX_175Y_151}-14.669 1.766 0.254 { c gly X 153 2fgqX_175Y_151}-14.386 1.409 1.69 { o gly X 153 2fgqX_175Y_151}-13.342 0.841 2.016 { n gly X 173 2fgqX_175Y_151}P -11.105 -1.326 1.707 {"}-11.105 -1.326 1.707 { ca gly X 173 2fgqX_175Y_151}-10.468 -1.802 0.499 { c gly X 173 2fgqX_175Y_151}-10.55 -0.798 -0.611 { o gly X 173 2fgqX_175Y_151}-11.211 0.217 -0.517 { c gly X 173 2fgqX_175Y_151}P -10.55 -0.798 -0.611 { n gly X 174 2fgqX_175Y_151}-9.825 -1.08 -1.678 { ca gly X 174 2fgqX_175Y_151}-9.821 -0.193 -2.802 { c gly X 174 2fgqX_175Y_151}-8.952 -0.72 -3.913 { o gly X 174 2fgqX_175Y_151}-8.351 -1.787 -3.8 { c gly X 174 2fgqX_175Y_151}P -8.952 -0.72 -3.913 { n tyr X 175 2fgqX_175Y_151}-8.893 0.06 -4.98 { ca tyr X 175 2fgqX_175Y_151}-8.082 -0.294 -6.126 { c tyr X 175 2fgqX_175Y_151}-7.49 0.945 -6.768 { o tyr X 175 2fgqX_175Y_151}-7.982 2.048 -6.628 { c tyr X 175 2fgqX_175Y_151}P -7.49 0.945 -6.768 { n val X 176 2fgqX_175Y_151}-6.393 0.707 -7.466 { ca val X 176 2fgqX_175Y_151}-5.855 1.633 -8.448 { c val X 176 2fgqX_175Y_151}-5.857 0.94 -9.812 { o val X 176 2fgqX_175Y_151}-5.695 -0.278 -9.917 { c val X 176 2fgqX_175Y_151}P -5.857 0.94 -9.812 { n ala X 177 2fgqX_175Y_151}-6.065 1.723 -10.858 { ca ala X 177 2fgqX_175Y_151}-6.212 1.192 -12.19 { c ala X 177 2fgqX_175Y_151}-5.799 2.184 -13.264 { o ala X 177 2fgqX_175Y_151}-5.661 3.396 -13.01 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n asn X 149 2fgqX_175Y_151}P -7.308 5.808 -12.553 { ca asn X 149 2fgqX_175Y_151}P -8.564 5.897 -11.811 { n ala X 150 2fgqX_175Y_151}P -9.238 5.344 -9.555 { ca ala X 150 2fgqX_175Y_151}P -9.181 4.594 -8.298 { n gly X 151 2fgqX_175Y_151}P -10.679 3.63 -6.708 { ca gly X 151 2fgqX_175Y_151}P -11.902 3.493 -5.929 {"}P -11.902 3.493 -5.929 { n phe X 152 2fgqX_175Y_151}P -12.36 3.447 -3.55 { ca phe X 152 2fgqX_175Y_151}P -12.107 3.174 -2.155 { n gly X 153 2fgqX_175Y_151}P -13.455 2.037 -0.499 { ca gly X 153 2fgqX_175Y_151}P -14.669 1.766 0.254 {"}P -14.669 1.766 0.254 { n gly X 173 2fgqX_175Y_151}P -11.105 -1.326 1.707 { ca gly X 173 2fgqX_175Y_151}P -10.468 -1.802 0.499 {"}P -10.468 -1.802 0.499 { n gly X 174 2fgqX_175Y_151}P -9.825 -1.08 -1.678 { ca gly X 174 2fgqX_175Y_151}P -9.821 -0.193 -2.802 {"}P -9.821 -0.193 -2.802 { n tyr X 175 2fgqX_175Y_151}P -8.893 0.06 -4.98 { ca tyr X 175 2fgqX_175Y_151}P -8.082 -0.294 -6.126 { n val X 176 2fgqX_175Y_151}P -6.393 0.707 -7.466 { ca val X 176 2fgqX_175Y_151}P -5.855 1.633 -8.448 { n ala X 177 2fgqX_175Y_151}P -6.065 1.723 -10.858 { ca ala X 177 2fgqX_175Y_151}P -6.212 1.192 -12.19 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca asn X 149 2fgqX_175Y_151}P -8.564 5.897 -11.811 {"}-8.564 5.897 -11.811 { ca ala X 150 2fgqX_175Y_151}-9.181 4.594 -8.298 { ca gly X 151 2fgqX_175Y_151}-11.902 3.493 -5.929 { ca phe X 152 2fgqX_175Y_151}-12.107 3.174 -2.155 { ca gly X 153 2fgqX_175Y_151}-14.669 1.766 0.254 { ca gly X 173 2fgqX_175Y_151}P -10.468 -1.802 0.499 {"}-10.468 -1.802 0.499 { ca gly X 174 2fgqX_175Y_151}-9.821 -0.193 -2.802 { ca tyr X 175 2fgqX_175Y_151}-8.082 -0.294 -6.126 { ca val X 176 2fgqX_175Y_151}-5.855 1.633 -8.448 { ca ala X 177 2fgqX_175Y_151}-6.212 1.192 -12.19 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca asn X 149 2fgqX_175Y_151}P -8.564 5.897 -11.811 { ca ala X 150 2fgqX_175Y_151}P -9.181 4.594 -8.298 { ca phe X 152 2fgqX_175Y_151}P -12.107 3.174 -2.155 { ca tyr X 175 2fgqX_175Y_151}P -8.082 -0.294 -6.126 { cb tyr X 175 2fgqX_175Y_151}-8.891 -1.056 -7.186 { cg tyr X 175 2fgqX_175Y_151}-9.964 -0.254 -7.856 { cd1 tyr X 175 2fgqX_175Y_151}-9.697 0.58 -8.961 { ce1 tyr X 175 2fgqX_175Y_151}-10.726 1.326 -9.554 { cz tyr X 175 2fgqX_175Y_151}-12.02 1.213 -9.014 { oh tyr X 175 2fgqX_175Y_151}-13.102 1.852 -9.571 { cg tyr X 175 2fgqX_175Y_151}P -9.964 -0.254 -7.856 { cd2 tyr X 175 2fgqX_175Y_151}-11.267 -0.34 -7.394 { ce2 tyr X 175 2fgqX_175Y_151}-12.267 0.362 -7.964 { cz tyr X 175 2fgqX_175Y_151}ghost -12.02 1.213 -9.014 { ca val X 176 2fgqX_175Y_151}P -5.855 1.633 -8.448 { ca ala X 177 2fgqX_175Y_151}P -6.212 1.192 -12.19 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr X 175 2fgqX_175Y_151}P -8.891 -1.056 -7.186 {"}P -8.891 -1.056 -7.186 { cd1 tyr X 175 2fgqX_175Y_151}P -9.697 0.58 -8.961 { cd2 tyr X 175 2fgqX_175Y_151}P -11.267 -0.34 -7.394 { ce1 tyr X 175 2fgqX_175Y_151}P -10.726 1.326 -9.554 { ce2 tyr X 175 2fgqX_175Y_151}P -12.267 0.362 -7.964 { oh tyr X 175 2fgqX_175Y_151}P -13.102 1.852 -9.571 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr X 175 2fgqX_175Y_151}P -8.082 -0.294 -6.126 { cb tyr X 175 2fgqX_175Y_151}-8.891 -1.056 -7.186 { cg tyr X 175 2fgqX_175Y_151}-9.964 -0.254 -7.856 { cd1 tyr X 175 2fgqX_175Y_151}-9.697 0.58 -8.961 { ce1 tyr X 175 2fgqX_175Y_151}-10.726 1.326 -9.554 { cz tyr X 175 2fgqX_175Y_151}-12.02 1.213 -9.014 { oh tyr X 175 2fgqX_175Y_151}-13.102 1.852 -9.571 { cg tyr X 175 2fgqX_175Y_151}P -9.964 -0.254 -7.856 { cd2 tyr X 175 2fgqX_175Y_151}-11.267 -0.34 -7.394 { ce2 tyr X 175 2fgqX_175Y_151}-12.267 0.362 -7.964 { cz tyr X 175 2fgqX_175Y_151}ghost -12.02 1.213 -9.014 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr X 175 2fgqX_175Y_151}P -8.891 -1.056 -7.186 {"}P -8.891 -1.056 -7.186 { cd1 tyr X 175 2fgqX_175Y_151}P -9.697 0.58 -8.961 { cd2 tyr X 175 2fgqX_175Y_151}P -11.267 -0.34 -7.394 { ce1 tyr X 175 2fgqX_175Y_151}P -10.726 1.326 -9.554 { ce2 tyr X 175 2fgqX_175Y_151}P -12.267 0.362 -7.964 { oh tyr X 175 2fgqX_175Y_151}P -13.102 1.852 -9.571 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 175 X}'P' sky -12.965 1.9 -7.507 {"}'P' sky -11.771 1.884 -7.258 {"}'P' sky -13.168 1.541 -7.037 {"}'P' sky -11.949 1.452 -6.632 { CZ TYR 175 X}'P' sky -12.711 2.345 -7.872 {"}'P' sky -12.475 2.454 -7.868 {"}'P' sky -12.223 2.517 -7.865 {"}'P' sky -12.688 2.141 -7.689 {"}'P' sky -11.956 2.344 -7.681 {"}'P' blue -11.773 2.103 -7.528 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 175 X}'P' sea -12.719 1.989 -7.503 {"}'P' green -12.463 2.038 -7.501 {"}'P' sea -13.014 1.78 -7.262 {"}'P' green -12.778 1.879 -7.258 {"}'P' green -12.53 1.94 -7.255 {"}'P' green -12.275 1.962 -7.254 {"}'P' green -12.02 1.943 -7.255 {"}'P' sea -12.949 1.676 -7.031 {"}'P' green -12.711 1.772 -7.027 {"}'P' green -12.203 1.837 -7.024 {"}'P' sea -11.948 1.804 -7.025 {"}'P' sea -12.958 1.494 -6.822 {"}'P' green -12.722 1.603 -6.818 {"}'P' green -12.47 1.666 -6.815 {"}'P' green -12.21 1.68 -6.814 {"}'P' sea -11.952 1.645 -6.816 {"}'P' sea -12.708 1.411 -6.634 {"}'P' sea -12.46 1.48 -6.631 {"}'P' sea -12.203 1.493 -6.631 { CZ TYR 175 X}'P' sea -12.461 2.262 -7.684 {"}'P' sea -12.213 2.331 -7.681 {"}'P' sea -12.283 2.099 -7.528 {"}'P' sea -12.028 2.135 -7.526 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 TYR 175 X}'P' P -12.46 1.826 -7.024 {"}'P' -12.458 1.815 -7.031 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 151 X}'P' sky -12.459 2.62 -7.579 {"}'P' blue -12.719 2.62 -7.579 {"}'P' sky -12.145 2.595 -7.494 {"}'P' sky -12.835 2.398 -7.502 {"}'P' sky -12.03 2.366 -7.364 {"}'P' sky -12.954 2.204 -7.371 {"}'P' sky -13.188 1.95 -6.975 {"}'P' sky -11.871 1.92 -6.729 {"}'P' sky -13.077 1.776 -6.735 {"}'P' sky -12.041 1.762 -6.475 {"}'P' sky -12.778 1.642 -6.48 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 151 X}'P' sea -12.328 2.406 -7.502 {"}'P' sea -12.581 2.334 -7.505 {"}'P' sea -12.224 2.204 -7.371 {"}'P' green -12.462 2.117 -7.375 {"}'P' sea -12.716 2.117 -7.375 {"}'P' sea -11.984 2.142 -7.189 {"}'P' green -12.201 1.999 -7.195 {"}'P' green -12.711 1.921 -7.198 {"}'P' sea -12.961 1.992 -7.195 {"}'P' green -11.99 1.95 -6.975 {"}'P' green -12.215 1.832 -6.98 {"}'P' green -12.716 1.772 -6.983 {"}'P' sea -12.963 1.832 -6.98 {"}'P' green -12.087 1.783 -6.735 {"}'P' green -12.327 1.697 -6.739 {"}'P' green -12.581 1.667 -6.74 {"}'P' green -12.835 1.694 -6.739 {"}'P' sea -12.276 1.669 -6.479 {"}'P' sea -12.526 1.628 -6.481 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 151 X}'P' P -12.451 1.923 -7.198 {"}'P' -12.451 1.924 -7.198 {"}'P' P -12.462 1.772 -6.983 {"}'P' -12.463 1.781 -6.978 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 175 X}'M' green -9.323 2.184 -7.006 {"}'M' green -9.276 2.436 -6.995 {"}'M' green -9.045 2.89 -6.975 {"}'M' green -9.376 2.054 -6.757 {"}'M' green -9.376 2.034 -6.499 {"}'M' sea -8.829 3.149 -6.451 {"}'M' green -9.322 2.159 -6.24 {"}'M' sea -8.864 3.048 -6.201 {"}'M' green -9.18 2.388 -5.989 {"}'M' green -9.082 2.621 -5.978 {"}'M' sea -8.938 2.83 -5.969 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 175 X}'M' greentint -9.183 2.674 -6.984 {"}'M' greentint -9.352 2.31 -6.746 {"}'M' greentint -9.282 2.557 -6.735 {"}'M' greentint -9.167 2.787 -6.725 {"}'M' greentint -9.012 2.992 -6.716 {"}'M' greentint -9.354 2.29 -6.488 {"}'M' greentint -9.285 2.538 -6.477 {"}'M' greentint -9.172 2.769 -6.467 {"}'M' greentint -9.018 2.975 -6.458 {"}'M' greentint -9.274 2.41 -6.229 {"}'M' greentint -9.179 2.648 -6.218 {"}'M' greentint -9.04 2.863 -6.209 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 151 X}'M' green -9.257 2.492 -7.014 {"}'M' green -9.431 2.302 -7.022 {"}'M' green -9.111 2.981 -6.992 {"}'M' green -9.494 2.127 -6.788 {"}'M' green -9.434 2.112 -6.53 {"}'M' sea -9.01 3.207 -6.482 {"}'M' sea -9.494 2.104 -6.271 {"}'M' green -9.011 2.94 -6.234 {"}'M' green -9.147 2.682 -6.004 {"}'M' green -9.257 2.449 -6.014 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 151 X}'M' greentint -9.147 2.726 -7.003 {"}'M' greentint -9.044 2.713 -6.762 {"}'M' greentint -9.14 2.48 -6.773 {"}'M' greentint -9.294 2.28 -6.781 {"}'M' greentint -9.011 2.962 -6.752 {"}'M' greentint -9.006 2.71 -6.504 {"}'M' greentint -9.097 2.477 -6.514 {"}'M' greentint -9.243 2.273 -6.523 {"}'M' greentint -8.977 2.959 -6.493 {"}'M' greentint -9.044 2.69 -6.245 {"}'M' greentint -9.14 2.457 -6.255 {"}'M' greentint -9.294 2.257 -6.264 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 175 X}'M' greentint -10.224 1.418 -5.309 {"}'M' greentint -10.07 1.618 -5.3 {"}'M' greentint -9.87 1.771 -5.293 {"}'M' greentint -10.32 1.284 -5.055 {"}'M' greentint -10.201 1.505 -5.046 {"}'M' greentint -10.031 1.689 -5.038 {"}'M' greentint -9.82 1.825 -5.032 {"}'M' greentint -9.582 1.904 -5.028 {"}'M' greentint -10.32 1.162 -4.802 {"}'M' greentint -10.224 1.395 -4.791 {"}'M' greentint -10.07 1.595 -4.783 {"}'M' greentint -9.87 1.748 -4.776 {"}'M' greentint -9.637 1.845 -4.772 {"}'M' greentint -9.387 1.878 -4.77 {"}'M' greentint -10.245 1.023 -4.566 {"}'M' greentint -10.171 1.27 -4.555 {"}'M' greentint -10.027 1.485 -4.546 {"}'M' greentint -9.827 1.647 -4.539 {"}'M' greentint -9.588 1.744 -4.535 {"}'M' greentint -9.331 1.766 -4.534 {"}'M' greentint -10.082 1.023 -4.359 {"}'M' greentint -9.988 1.265 -4.348 {"}'M' greentint -9.813 1.457 -4.34 {"}'M' greentint -9.581 1.573 -4.335 {"}'M' greentint -9.824 1.129 -4.195 {"}'M' greentint -9.644 1.315 -4.187 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 151 X}'M' greentint -9.953 1.602 -5.406 {"}'M' greentint -9.595 1.789 -5.206 {"}'M' greentint -9.736 1.572 -5.216 {"}'M' greentint -9.923 1.392 -5.224 {"}'M' greentint -10.147 1.261 -5.229 {"}'M' greentint -9.445 1.779 -4.987 {"}'M' greentint -9.568 1.558 -4.997 {"}'M' greentint -9.734 1.366 -5.005 {"}'M' greentint -9.934 1.211 -5.012 {"}'M' greentint -10.162 1.099 -5.017 {"}'M' greentint -9.344 1.77 -4.746 {"}'M' greentint -9.46 1.542 -4.756 {"}'M' greentint -9.617 1.34 -4.765 {"}'M' greentint -9.809 1.172 -4.772 {"}'M' greentint -10.03 1.042 -4.778 {"}'M' greentint -10.272 0.957 -4.782 {"}'M' greentint -9.412 1.518 -4.503 {"}'M' greentint -9.567 1.313 -4.512 {"}'M' greentint -9.757 1.14 -4.52 {"}'M' greentint -9.976 1.005 -4.525 {"}'M' greentint -10.216 0.912 -4.53 {"}'M' greentint -9.561 1.308 -4.254 {"}'M' greentint -9.75 1.134 -4.261 {"}'M' greentint -9.968 0.997 -4.267 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n leu X 41 2fgqX_55F_43G}P -8.592 4.795 -13.048 {"}-8.592 4.795 -13.048 { ca leu X 41 2fgqX_55F_43G}-9.79 4.578 -12.281 { c leu X 41 2fgqX_55F_43G}-9.347 4.152 -10.904 { o leu X 41 2fgqX_55F_43G}-8.474 3.317 -10.792 { c leu X 41 2fgqX_55F_43G}P -9.347 4.152 -10.904 { n arg X 42 2fgqX_55F_43G}-9.985 4.678 -9.878 { ca arg X 42 2fgqX_55F_43G}-9.689 4.265 -8.513 { c arg X 42 2fgqX_55F_43G}-10.925 4.251 -7.685 { o arg X 42 2fgqX_55F_43G}-11.91 4.923 -7.966 { c arg X 42 2fgqX_55F_43G}P -10.925 4.251 -7.685 { n gly X 43 2fgqX_55F_43G}-10.925 3.426 -6.658 { ca gly X 43 2fgqX_55F_43G}-12.072 3.402 -5.794 { c gly X 43 2fgqX_55F_43G}-11.708 2.967 -4.408 { o gly X 43 2fgqX_55F_43G}-10.68 2.354 -4.194 { c gly X 43 2fgqX_55F_43G}P -11.708 2.967 -4.408 { n thr X 44 2fgqX_55F_43G}-12.596 3.293 -3.484 { ca thr X 44 2fgqX_55F_43G}-12.428 2.928 -2.104 { c thr X 44 2fgqX_55F_43G}-13.788 2.445 -1.605 { o thr X 44 2fgqX_55F_43G}-14.823 3.009 -1.959 { c thr X 44 2fgqX_55F_43G}P -13.788 2.445 -1.605 { n glu X 45 2fgqX_55F_43G}-13.79 1.403 -0.795 { ca glu X 45 2fgqX_55F_43G}-14.998 0.879 -0.196 { c glu X 45 2fgqX_55F_43G}-14.792 0.788 1.319 { o glu X 45 2fgqX_55F_43G}-13.849 0.185 1.772 { n ala X 53 2fgqX_55F_43G}P -11.268 -1.163 1.572 {"}-11.268 -1.163 1.572 { ca ala X 53 2fgqX_55F_43G}-10.672 -1.811 0.426 { c ala X 53 2fgqX_55F_43G}-10.538 -0.791 -0.676 { o ala X 53 2fgqX_55F_43G}-11.37 0.089 -0.823 { c ala X 53 2fgqX_55F_43G}P -10.538 -0.791 -0.676 { n gly X 54 2fgqX_55F_43G}-9.512 -0.942 -1.488 { ca gly X 54 2fgqX_55F_43G}-9.306 -0.011 -2.598 { c gly X 54 2fgqX_55F_43G}-8.803 -0.727 -3.816 { o gly X 54 2fgqX_55F_43G}-8.285 -1.819 -3.751 { c gly X 54 2fgqX_55F_43G}P -8.803 -0.727 -3.816 { n phe X 55 2fgqX_55F_43G}-8.929 -0.052 -4.959 { ca phe X 55 2fgqX_55F_43G}-8.23 -0.47 -6.147 { c phe X 55 2fgqX_55F_43G}-7.808 0.777 -6.919 { o phe X 55 2fgqX_55F_43G}-8.362 1.845 -6.71 { c phe X 55 2fgqX_55F_43G}P -7.808 0.777 -6.919 { n trp X 56 2fgqX_55F_43G}-6.834 0.612 -7.802 { ca trp X 56 2fgqX_55F_43G}-6.318 1.728 -8.578 { c trp X 56 2fgqX_55F_43G}-5.704 1.184 -9.849 { o trp X 56 2fgqX_55F_43G}-4.8 0.33 -9.801 { c trp X 56 2fgqX_55F_43G}P -5.704 1.184 -9.849 { n leu X 57 2fgqX_55F_43G}-6.22 1.626 -10.991 { ca leu X 57 2fgqX_55F_43G}-5.743 1.192 -12.305 { c leu X 57 2fgqX_55F_43G}-5.351 2.467 -13.043 { o leu X 57 2fgqX_55F_43G}-6.181 3.355 -13.214 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n leu X 41 2fgqX_55F_43G}P -8.592 4.795 -13.048 { ca leu X 41 2fgqX_55F_43G}P -9.79 4.578 -12.281 { n arg X 42 2fgqX_55F_43G}P -9.985 4.678 -9.878 { ca arg X 42 2fgqX_55F_43G}P -9.689 4.265 -8.513 { n gly X 43 2fgqX_55F_43G}P -10.925 3.426 -6.658 { ca gly X 43 2fgqX_55F_43G}P -12.072 3.402 -5.794 {"}P -12.072 3.402 -5.794 { n thr X 44 2fgqX_55F_43G}P -12.596 3.293 -3.484 { ca 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0.879 -0.196 { ca ala X 53 2fgqX_55F_43G}P -10.672 -1.811 0.426 {"}-10.672 -1.811 0.426 { ca gly X 54 2fgqX_55F_43G}-9.306 -0.011 -2.598 { ca phe X 55 2fgqX_55F_43G}-8.23 -0.47 -6.147 { ca trp X 56 2fgqX_55F_43G}-6.318 1.728 -8.578 { ca leu X 57 2fgqX_55F_43G}-5.743 1.192 -12.305 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca leu X 41 2fgqX_55F_43G}P -9.79 4.578 -12.281 { ca arg X 42 2fgqX_55F_43G}P -9.689 4.265 -8.513 { ca thr X 44 2fgqX_55F_43G}P -12.428 2.928 -2.104 { ca glu X 45 2fgqX_55F_43G}P -14.998 0.879 -0.196 { ca ala X 53 2fgqX_55F_43G}P -10.672 -1.811 0.426 { ca phe X 55 2fgqX_55F_43G}P -8.23 -0.47 -6.147 { cb phe X 55 2fgqX_55F_43G}-9.105 -1.391 -7.012 { cg phe X 55 2fgqX_55F_43G}-10.109 -0.665 -7.821 { cd1 phe X 55 2fgqX_55F_43G}-9.825 -0.275 -9.124 { ce1 phe X 55 2fgqX_55F_43G}-10.719 0.475 -9.85 { cz phe X 55 2fgqX_55F_43G}-11.908 0.86 -9.312 { cg phe X 55 2fgqX_55F_43G}P -10.109 -0.665 -7.821 { cd2 phe X 55 2fgqX_55F_43G}-11.303 -0.241 -7.252 { ce2 phe X 55 2fgqX_55F_43G}-12.229 0.512 -8.021 { cz phe X 55 2fgqX_55F_43G}ghost -11.908 0.86 -9.312 { ca trp X 56 2fgqX_55F_43G}P -6.318 1.728 -8.578 { ca leu X 57 2fgqX_55F_43G}P -5.743 1.192 -12.305 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe X 55 2fgqX_55F_43G}P -9.105 -1.391 -7.012 {"}P -9.105 -1.391 -7.012 { cd1 phe X 55 2fgqX_55F_43G}P -9.825 -0.275 -9.124 { cd2 phe X 55 2fgqX_55F_43G}P -11.303 -0.241 -7.252 { ce1 phe X 55 2fgqX_55F_43G}P -10.719 0.475 -9.85 { ce2 phe X 55 2fgqX_55F_43G}P -12.229 0.512 -8.021 { cz phe X 55 2fgqX_55F_43G}P -11.908 0.86 -9.312 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe X 55 2fgqX_55F_43G}P -8.23 -0.47 -6.147 { cb phe X 55 2fgqX_55F_43G}-9.105 -1.391 -7.012 { cg phe X 55 2fgqX_55F_43G}-10.109 -0.665 -7.821 { cd1 phe X 55 2fgqX_55F_43G}-9.825 -0.275 -9.124 { ce1 phe X 55 2fgqX_55F_43G}-10.719 0.475 -9.85 { cz phe X 55 2fgqX_55F_43G}-11.908 0.86 -9.312 { cg phe X 55 2fgqX_55F_43G}P -10.109 -0.665 -7.821 { cd2 phe X 55 2fgqX_55F_43G}-11.303 -0.241 -7.252 { ce2 phe X 55 2fgqX_55F_43G}-12.229 0.512 -8.021 { cz phe X 55 2fgqX_55F_43G}ghost -11.908 0.86 -9.312 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe X 55 2fgqX_55F_43G}P -9.105 -1.391 -7.012 {"}P -9.105 -1.391 -7.012 { cd1 phe X 55 2fgqX_55F_43G}P -9.825 -0.275 -9.124 { cd2 phe X 55 2fgqX_55F_43G}P -11.303 -0.241 -7.252 { ce1 phe X 55 2fgqX_55F_43G}P -10.719 0.475 -9.85 { ce2 phe X 55 2fgqX_55F_43G}P -12.229 0.512 -8.021 { cz phe X 55 2fgqX_55F_43G}P -11.908 0.86 -9.312 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 55 X}'P' sky -12.927 2.05 -7.564 {"}'P' sky -12.681 2.139 -7.56 {"}'P' sky -12.425 2.188 -7.558 {"}'P' sky -13.193 1.796 -7.325 {"}'P' sky -12.729 1.298 -6.539 {"}'P' sky -12.237 1.434 -6.533 { HE2 PHE 55 X}'P' sky -13.395 1.634 -7.052 {"}'P' sky -13.388 1.463 -6.852 {"}'P' sky -13.129 1.487 -6.851 {"}'P' blue -13.202 1.276 -6.701 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 55 X}'P' sea -12.976 1.93 -7.319 {"}'P' green -12.74 2.029 -7.315 {"}'P' green -12.492 2.09 -7.312 {"}'P' sea -12.237 2.112 -7.311 {"}'P' sea -13.13 1.691 -7.094 {"}'P' green -12.911 1.826 -7.088 {"}'P' green -12.673 1.922 -7.084 {"}'P' green -12.422 1.976 -7.081 {"}'P' sea -12.165 1.987 -7.081 {"}'P' green -12.92 1.644 -6.879 {"}'P' green -12.684 1.753 -6.875 {"}'P' green -12.432 1.816 -6.872 {"}'P' green -12.172 1.83 -6.871 {"}'P' sea -12.897 1.44 -6.696 {"}'P' green -12.67 1.561 -6.691 {"}'P' green -12.422 1.63 -6.688 {"}'P' sea -12.165 1.643 -6.688 {"}'P' sea -12.492 1.398 -6.535 { HE2 PHE 55 X}'P' sea -13.138 1.656 -7.051 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 43 X}'P' sky -13.195 2.129 -7.148 {"}'P' sky -13.202 1.917 -6.972 {"}'P' blue -13.423 2.056 -6.966 {"}'P' sky -13.204 1.757 -6.757 {"}'P' blue -13.429 1.875 -6.752 {"}'P' sky -13.076 1.619 -6.516 {"}'P' blue -13.318 1.701 -6.512 {"}'P' sky -12.517 1.594 -6.256 {"}'P' blue -12.767 1.553 -6.258 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 43 X}'P' sea -12.569 2.331 -7.279 {"}'P' sea -12.822 2.259 -7.282 {"}'P' sea -12.271 2.291 -7.141 {"}'P' green -12.465 2.129 -7.148 {"}'P' green -12.703 2.042 -7.152 {"}'P' sea -12.957 2.042 -7.152 {"}'P' green -12.225 2.067 -6.966 {"}'P' green -12.442 1.924 -6.972 {"}'P' green -12.692 1.848 -6.975 {"}'P' green -12.952 1.846 -6.975 {"}'P' green -12.231 1.875 -6.752 {"}'P' green -12.456 1.757 -6.757 {"}'P' green -12.703 1.697 -6.76 {"}'P' green -12.957 1.697 -6.76 {"}'P' sea -12.328 1.708 -6.512 {"}'P' sea -12.568 1.622 -6.516 {"}'P' sea -12.822 1.592 -6.517 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 55 X}'M' green -9.656 2.233 -7.077 {"}'M' green -9.202 2.962 -6.791 {"}'M' green -9.756 1.831 -6.581 {"}'M' green -9.61 1.936 -6.081 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 55 X}'M' greentint -9.563 2.471 -7.066 {"}'M' greentint -9.425 2.687 -7.057 {"}'M' greentint -9.732 2.107 -6.828 {"}'M' greentint -9.662 2.354 -6.817 {"}'M' greentint -9.547 2.584 -6.807 {"}'M' greentint -9.392 2.789 -6.798 {"}'M' greentint -9.734 2.087 -6.57 {"}'M' greentint -9.665 2.335 -6.559 {"}'M' greentint -9.552 2.566 -6.549 {"}'M' greentint -9.398 2.772 -6.54 {"}'M' greentint -9.209 2.946 -6.533 {"}'M' greentint -9.702 1.956 -6.322 {"}'M' greentint -9.654 2.207 -6.311 {"}'M' greentint -9.559 2.445 -6.3 {"}'M' greentint -9.42 2.66 -6.291 {"}'M' greentint -9.244 2.845 -6.283 {"}'M' greentint -9.56 2.185 -6.071 {"}'M' greentint -9.462 2.418 -6.06 {"}'M' greentint -9.318 2.627 -6.051 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 43 X}'M' green -9.526 2.574 -7.135 {"}'M' green -9.702 1.951 -6.195 {"}'M' green -9.355 2.529 -5.928 {"}'M' green -9.465 2.296 -5.938 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 43 X}'M' greentint -9.355 2.573 -6.927 {"}'M' greentint -9.465 2.339 -6.938 {"}'M' greentint -9.639 2.149 -6.946 {"}'M' greentint -9.319 2.828 -6.916 {"}'M' greentint -9.252 2.56 -6.686 {"}'M' greentint -9.348 2.327 -6.697 {"}'M' greentint -9.502 2.127 -6.705 {"}'M' greentint -9.702 1.974 -6.712 {"}'M' greentint -9.219 2.809 -6.676 {"}'M' greentint -9.214 2.557 -6.428 {"}'M' greentint -9.305 2.324 -6.438 {"}'M' greentint -9.451 2.12 -6.447 {"}'M' greentint -9.642 1.959 -6.454 {"}'M' greentint -9.185 2.806 -6.417 {"}'M' greentint -9.252 2.537 -6.169 {"}'M' greentint -9.348 2.304 -6.179 {"}'M' greentint -9.502 2.104 -6.188 {"}'M' greentint -9.219 2.787 -6.158 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 55 X}'M' green -10.18 1.457 -5.302 {"}'M' green -9.98 1.61 -5.295 {"}'M' green -10.43 1.123 -5.057 {"}'M' green -9.692 1.743 -5.03 {"}'M' green -10.43 1.001 -4.804 {"}'M' green -9.497 1.717 -4.772 {"}'M' green -9.441 1.605 -4.536 {"}'M' green -9.754 1.154 -4.189 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 55 X}'M' greentint -10.311 1.344 -5.048 {"}'M' greentint -10.141 1.528 -5.04 {"}'M' greentint -9.93 1.664 -5.034 {"}'M' greentint -10.334 1.234 -4.793 {"}'M' greentint -10.18 1.434 -4.785 {"}'M' greentint -9.98 1.587 -4.778 {"}'M' greentint -9.747 1.684 -4.774 {"}'M' greentint -10.281 1.109 -4.557 {"}'M' greentint -10.137 1.324 -4.548 {"}'M' greentint -9.937 1.486 -4.541 {"}'M' greentint -9.698 1.583 -4.537 {"}'M' greentint -10.098 1.104 -4.35 {"}'M' greentint -9.923 1.296 -4.342 {"}'M' greentint -9.691 1.412 -4.337 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 43 X}'M' green -10.036 1.71 -5.258 {"}'M' green -10.246 1.562 -5.264 {"}'M' green -9.678 1.897 -5.058 {"}'M' green -10.478 1.293 -5.085 {"}'M' green -9.528 1.887 -4.839 {"}'M' green -10.49 1.144 -4.871 {"}'M' green -9.543 1.65 -4.608 {"}'M' green -10.355 1.065 -4.634 {"}'M' green -9.495 1.626 -4.355 {"}'M' green -10.299 1.02 -4.382 {"}'M' green -9.833 1.242 -4.113 {"}'M' sea -10.051 1.105 -4.119 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 43 X}'M' greentint -9.819 1.68 -5.068 {"}'M' greentint -10.006 1.5 -5.076 {"}'M' greentint -10.23 1.369 -5.081 {"}'M' greentint -9.651 1.666 -4.849 {"}'M' greentint -9.817 1.474 -4.857 {"}'M' greentint -10.017 1.319 -4.864 {"}'M' greentint -10.245 1.207 -4.869 {"}'M' greentint -9.7 1.448 -4.617 {"}'M' greentint -9.892 1.28 -4.624 {"}'M' greentint -10.113 1.15 -4.63 {"}'M' greentint -9.65 1.421 -4.364 {"}'M' greentint -9.84 1.248 -4.372 {"}'M' greentint -10.059 1.113 -4.377 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n thr X 5 2fgqX_7F_40G}P -11.82 -2.083 0.622 {"}-11.82 -2.083 0.622 { ca thr X 5 2fgqX_7F_40G}-10.706 -2.244 -0.28 { c thr X 5 2fgqX_7F_40G}-10.503 -0.987 -1.096 { o thr X 5 2fgqX_7F_40G}-11.424 -0.506 -1.733 { c thr X 5 2fgqX_7F_40G}P -10.503 -0.987 -1.096 { n leu X 6 2fgqX_7F_40G}-9.279 -0.474 -1.085 { ca leu X 6 2fgqX_7F_40G}-8.861 0.592 -1.964 { c leu X 6 2fgqX_7F_40G}-8.261 -0.092 -3.178 { o leu X 6 2fgqX_7F_40G}-7.448 -0.994 -3.035 { c leu X 6 2fgqX_7F_40G}P -8.261 -0.092 -3.178 { n phe X 7 2fgqX_7F_40G}-8.638 0.345 -4.365 { ca phe X 7 2fgqX_7F_40G}-8.123 -0.267 -5.583 { c phe X 7 2fgqX_7F_40G}-7.964 0.78 -6.678 { o phe X 7 2fgqX_7F_40G}-8.5 1.878 -6.602 { c phe X 7 2fgqX_7F_40G}P -7.964 0.78 -6.678 { n gly X 8 2fgqX_7F_40G}-7.301 0.391 -7.764 { ca gly X 8 2fgqX_7F_40G}-7.184 1.279 -8.885 { c gly X 8 2fgqX_7F_40G}-6.345 0.719 -9.989 { o gly X 8 2fgqX_7F_40G}-5.822 -0.401 -9.923 { c gly X 8 2fgqX_7F_40G}P -6.345 0.719 -9.989 { n ile X 9 2fgqX_7F_40G}-6.272 1.528 -11.036 { ca ile X 9 2fgqX_7F_40G}-5.46 1.261 -12.216 { c ile X 9 2fgqX_7F_40G}-4.915 2.577 -12.72 { o ile X 9 2fgqX_7F_40G}-5.654 3.52 -12.916 { n arg X 38 2fgqX_7F_40G}P -8.419 4.2 -13.113 {"}-8.419 4.2 -13.113 { ca arg X 38 2fgqX_7F_40G}-9.437 4.43 -12.093 { c arg X 38 2fgqX_7F_40G}-8.869 4.41 -10.703 { o arg X 38 2fgqX_7F_40G}-7.776 3.891 -10.46 { c arg X 38 2fgqX_7F_40G}P -8.869 4.41 -10.703 { n leu X 39 2fgqX_7F_40G}-9.67 4.935 -9.779 { ca leu X 39 2fgqX_7F_40G}-9.37 4.921 -8.342 { c leu X 39 2fgqX_7F_40G}-10.709 4.695 -7.643 { o leu X 39 2fgqX_7F_40G}-11.658 5.356 -7.962 { c leu X 39 2fgqX_7F_40G}P -10.709 4.695 -7.643 { n gly X 40 2fgqX_7F_40G}-10.764 3.734 -6.734 { ca gly X 40 2fgqX_7F_40G}-12.006 3.41 -6.069 { c gly X 40 2fgqX_7F_40G}-11.845 2.814 -4.702 { o gly X 40 2fgqX_7F_40G}-10.769 2.378 -4.277 { c gly X 40 2fgqX_7F_40G}P -11.845 2.814 -4.702 { n leu X 41 2fgqX_7F_40G}-12.985 2.788 -4.011 { ca leu X 41 2fgqX_7F_40G}-13.117 2.165 -2.721 { c leu X 41 2fgqX_7F_40G}-14.361 1.314 -2.781 { o leu X 41 2fgqX_7F_40G}-15.373 1.775 -3.266 { c leu X 41 2fgqX_7F_40G}P -14.361 1.314 -2.781 { n arg X 42 2fgqX_7F_40G}-14.296 0.114 -2.24 { ca arg X 42 2fgqX_7F_40G}-15.468 -0.747 -2.171 { c arg X 42 2fgqX_7F_40G}-15.469 -1.539 -0.912 { o arg X 42 2fgqX_7F_40G}-14.442 -1.78 -0.288 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n thr X 5 2fgqX_7F_40G}P -11.82 -2.083 0.622 { ca thr X 5 2fgqX_7F_40G}P -10.706 -2.244 -0.28 { n leu X 6 2fgqX_7F_40G}P -9.279 -0.474 -1.085 { ca leu X 6 2fgqX_7F_40G}P -8.861 0.592 -1.964 { n phe X 7 2fgqX_7F_40G}P -8.638 0.345 -4.365 { ca phe X 7 2fgqX_7F_40G}P -8.123 -0.267 -5.583 { n gly X 8 2fgqX_7F_40G}P -7.301 0.391 -7.764 { ca gly X 8 2fgqX_7F_40G}P -7.184 1.279 -8.885 {"}P -7.184 1.279 -8.885 { n ile X 9 2fgqX_7F_40G}P -6.272 1.528 -11.036 { ca ile X 9 2fgqX_7F_40G}P -5.46 1.261 -12.216 { n arg X 38 2fgqX_7F_40G}P -8.419 4.2 -13.113 { ca arg X 38 2fgqX_7F_40G}P -9.437 4.43 -12.093 { n leu X 39 2fgqX_7F_40G}P -9.67 4.935 -9.779 { ca leu X 39 2fgqX_7F_40G}P -9.37 4.921 -8.342 { n gly X 40 2fgqX_7F_40G}P -10.764 3.734 -6.734 { ca gly X 40 2fgqX_7F_40G}P -12.006 3.41 -6.069 {"}P -12.006 3.41 -6.069 { n leu X 41 2fgqX_7F_40G}P -12.985 2.788 -4.011 { ca leu X 41 2fgqX_7F_40G}P -13.117 2.165 -2.721 { n arg X 42 2fgqX_7F_40G}P -14.296 0.114 -2.24 { ca arg X 42 2fgqX_7F_40G}P -15.468 -0.747 -2.171 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca thr X 5 2fgqX_7F_40G}P -10.706 -2.244 -0.28 {"}-10.706 -2.244 -0.28 { ca leu X 6 2fgqX_7F_40G}-8.861 0.592 -1.964 { ca phe X 7 2fgqX_7F_40G}-8.123 -0.267 -5.583 { ca gly X 8 2fgqX_7F_40G}-7.184 1.279 -8.885 { ca ile X 9 2fgqX_7F_40G}-5.46 1.261 -12.216 { ca arg X 38 2fgqX_7F_40G}P -9.437 4.43 -12.093 {"}-9.437 4.43 -12.093 { ca leu X 39 2fgqX_7F_40G}-9.37 4.921 -8.342 { ca gly X 40 2fgqX_7F_40G}-12.006 3.41 -6.069 { ca leu X 41 2fgqX_7F_40G}-13.117 2.165 -2.721 { ca arg X 42 2fgqX_7F_40G}-15.468 -0.747 -2.171 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca thr X 5 2fgqX_7F_40G}P -10.706 -2.244 -0.28 { ca leu X 6 2fgqX_7F_40G}P -8.861 0.592 -1.964 { ca phe X 7 2fgqX_7F_40G}P -8.123 -0.267 -5.583 { cb phe X 7 2fgqX_7F_40G}-9.05 -1.391 -6.068 { cg phe X 7 2fgqX_7F_40G}-10.401 -0.9 -6.495 { cd1 phe X 7 2fgqX_7F_40G}-11.421 -0.725 -5.564 { ce1 phe X 7 2fgqX_7F_40G}-12.656 -0.258 -5.962 { cz phe X 7 2fgqX_7F_40G}-12.901 0.014 -7.309 { cg phe X 7 2fgqX_7F_40G}P -10.401 -0.9 -6.495 { cd2 phe X 7 2fgqX_7F_40G}-10.657 -0.614 -7.845 { ce2 phe X 7 2fgqX_7F_40G}-11.906 -0.163 -8.249 { cz phe X 7 2fgqX_7F_40G}ghost -12.901 0.014 -7.309 { ca ile X 9 2fgqX_7F_40G}P -5.46 1.261 -12.216 { ca arg X 38 2fgqX_7F_40G}P -9.437 4.43 -12.093 { ca leu X 39 2fgqX_7F_40G}P -9.37 4.921 -8.342 { ca leu X 41 2fgqX_7F_40G}P -13.117 2.165 -2.721 { ca arg X 42 2fgqX_7F_40G}P -15.468 -0.747 -2.171 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe X 7 2fgqX_7F_40G}P -9.05 -1.391 -6.068 {"}P -9.05 -1.391 -6.068 { cd1 phe X 7 2fgqX_7F_40G}P -11.421 -0.725 -5.564 { cd2 phe X 7 2fgqX_7F_40G}P -10.657 -0.614 -7.845 { ce1 phe X 7 2fgqX_7F_40G}P -12.656 -0.258 -5.962 { ce2 phe X 7 2fgqX_7F_40G}P -11.906 -0.163 -8.249 { cz phe X 7 2fgqX_7F_40G}P -12.901 0.014 -7.309 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe X 7 2fgqX_7F_40G}P -8.123 -0.267 -5.583 { cb phe X 7 2fgqX_7F_40G}-9.05 -1.391 -6.068 { cg phe X 7 2fgqX_7F_40G}-10.401 -0.9 -6.495 { cd1 phe X 7 2fgqX_7F_40G}-11.421 -0.725 -5.564 { ce1 phe X 7 2fgqX_7F_40G}-12.656 -0.258 -5.962 { cz phe X 7 2fgqX_7F_40G}-12.901 0.014 -7.309 { cg phe X 7 2fgqX_7F_40G}P -10.401 -0.9 -6.495 { cd2 phe X 7 2fgqX_7F_40G}-10.657 -0.614 -7.845 { ce2 phe X 7 2fgqX_7F_40G}-11.906 -0.163 -8.249 { cz phe X 7 2fgqX_7F_40G}ghost -12.901 0.014 -7.309 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe X 7 2fgqX_7F_40G}P -9.05 -1.391 -6.068 {"}P -9.05 -1.391 -6.068 { cd1 phe X 7 2fgqX_7F_40G}P -11.421 -0.725 -5.564 { cd2 phe X 7 2fgqX_7F_40G}P -10.657 -0.614 -7.845 { ce1 phe X 7 2fgqX_7F_40G}P -12.656 -0.258 -5.962 { ce2 phe X 7 2fgqX_7F_40G}P -11.906 -0.163 -8.249 { cz phe X 7 2fgqX_7F_40G}P -12.901 0.014 -7.309 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 7 X}'P' sky -13.044 1.447 -6.018 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 7 X}'P' sea -12.86 1.451 -6.277 {"}'P' green -12.599 1.463 -6.277 {"}'P' sea -12.339 1.434 -6.278 {"}'P' sea -12.786 1.486 -6.017 {"}'P' sea -12.526 1.486 -6.017 { CZ PHE 7 X}'P' sea -12.844 1.735 -7.624 {"}'P' sea -12.584 1.706 -7.625 {"}'P' sea -13.289 1.719 -7.365 {"}'P' green -13.031 1.758 -7.364 {"}'P' green -12.771 1.758 -7.364 {"}'P' green -12.513 1.719 -7.365 {"}'P' green -12.263 1.643 -7.369 {"}'P' green -13.297 1.706 -7.104 {"}'P' green -12.271 1.634 -7.107 {"}'P' sea -12.036 1.522 -7.112 {"}'P' sea -13.353 1.641 -6.848 {"}'P' green -12.086 1.494 -6.855 {"}'P' green -13.164 1.592 -6.6 {"}'P' green -12.405 1.536 -6.603 {"}'P' sea -12.169 1.44 -6.607 {"}'P' sea -13.094 1.478 -6.369 {"}'P' green -12.837 1.489 -6.369 {"}'P' green -12.582 1.456 -6.37 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 7 X}'P' P -13.04 1.746 -7.102 {"}'P' -13.039 1.732 -7.104 {"}'P' P -12.779 1.747 -7.102 {"}'P' -12.783 1.693 -7.109 {"}'P' P -12.521 1.71 -7.104 {"}'P' -12.531 1.664 -7.11 {"}'P' P -13.097 1.69 -6.846 {"}'P' -13.096 1.682 -6.848 {"}'P' P -12.836 1.7 -6.846 {"}'P' -12.838 1.642 -6.862 {"}'P' P -12.576 1.67 -6.847 {"}'P' -12.588 1.611 -6.863 {"}'P' P -12.324 1.601 -6.85 {"}'P' -12.329 1.588 -6.854 {"}'P' P -12.909 1.614 -6.599 {"}'P' -12.909 1.603 -6.604 {"}'P' P -12.654 1.595 -6.6 {"}'P' -12.658 1.571 -6.611 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 40 X}'P' blue -13.17 1.816 -6.228 {"}'P' sky -12.693 1.767 -6.008 {"}'P' blue -12.943 1.838 -6.005 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 40 X}'P' green -12.433 1.833 -7.465 {"}'P' green -12.693 1.831 -7.465 {"}'P' green -12.943 1.902 -7.462 {"}'P' green -12.197 1.742 -7.247 {"}'P' green -13.17 1.86 -7.242 {"}'P' green -12.069 1.693 -7.002 {"}'P' green -13.276 1.82 -6.996 {"}'P' sea -12.023 1.672 -6.742 {"}'P' green -12.258 1.579 -6.746 {"}'P' green -13.228 1.738 -6.739 {"}'P' green -12.309 1.584 -6.485 {"}'P' green -12.563 1.554 -6.487 {"}'P' green -12.817 1.581 -6.485 {"}'P' green -13.059 1.663 -6.482 {"}'P' sea -12.444 1.637 -6.235 {"}'P' sea -12.698 1.637 -6.235 {"}'P' sea -12.945 1.698 -6.233 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 40 X}'P' P -12.444 1.682 -7.25 {"}'P' -12.445 1.69 -7.245 {"}'P' P -12.698 1.682 -7.25 {"}'P' -12.694 1.712 -7.234 {"}'P' P -12.945 1.742 -7.247 {"}'P' -12.942 1.751 -7.242 {"}'P' P -12.309 1.607 -7.006 {"}'P' -12.312 1.618 -7.002 {"}'P' P -12.563 1.577 -7.007 {"}'P' -12.563 1.636 -6.991 {"}'P' P -12.817 1.604 -7.006 {"}'P' -12.803 1.665 -6.989 {"}'P' P -13.059 1.686 -7.002 {"}'P' -13.05 1.705 -6.997 {"}'P' P -12.508 1.538 -6.748 {"}'P' -12.51 1.577 -6.746 {"}'P' P -12.76 1.552 -6.747 {"}'P' -12.752 1.604 -6.745 {"}'P' P -13.004 1.619 -6.744 {"}'P' -12.996 1.64 -6.743 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 7 X}'M' greentint -9.701 2.504 -6.958 {"}'M' greentint -9.563 2.72 -6.949 {"}'M' greentint -9.388 2.906 -6.941 {"}'M' greentint -9.18 3.056 -6.934 {"}'M' greentint -9.8 2.387 -6.709 {"}'M' greentint -9.685 2.617 -6.699 {"}'M' greentint -9.53 2.822 -6.69 {"}'M' greentint -9.34 2.995 -6.683 {"}'M' greentint -9.121 3.13 -6.677 {"}'M' greentint -9.803 2.368 -6.451 {"}'M' greentint -9.69 2.599 -6.441 {"}'M' greentint -9.536 2.805 -6.432 {"}'M' greentint -9.347 2.979 -6.425 {"}'M' greentint -9.129 3.115 -6.419 {"}'M' greentint -9.792 2.24 -6.203 {"}'M' greentint -9.697 2.478 -6.192 {"}'M' greentint -9.558 2.693 -6.183 {"}'M' greentint -9.382 2.878 -6.175 {"}'M' greentint -9.173 3.026 -6.168 {"}'M' greentint -9.6 2.451 -5.952 {"}'M' greentint -9.456 2.66 -5.943 {"}'M' greentint -9.273 2.836 -5.936 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 40 X}'M' greentint -9.151 2.955 -6.961 {"}'M' greentint -9.261 2.721 -6.972 {"}'M' greentint -9.435 2.531 -6.98 {"}'M' greentint -9.657 2.399 -6.986 {"}'M' greentint -9.048 2.942 -6.72 {"}'M' greentint -9.144 2.709 -6.731 {"}'M' greentint -9.298 2.509 -6.739 {"}'M' greentint -9.498 2.356 -6.746 {"}'M' greentint -9.731 2.259 -6.75 {"}'M' greentint -9.01 2.939 -6.462 {"}'M' greentint -9.101 2.706 -6.472 {"}'M' greentint -9.247 2.502 -6.481 {"}'M' greentint -9.438 2.341 -6.488 {"}'M' greentint -9.664 2.232 -6.492 {"}'M' greentint -9.048 2.919 -6.203 {"}'M' greentint -9.144 2.686 -6.213 {"}'M' greentint -9.298 2.486 -6.222 {"}'M' greentint -9.498 2.333 -6.229 {"}'M' greentint -9.731 2.237 -6.233 {"}'M' greentint -9.151 2.911 -5.962 {"}'M' greentint -9.261 2.678 -5.972 {"}'M' greentint -9.435 2.487 -5.981 {"}'M' greentint -9.657 2.356 -5.987 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 7 X}'M' greentint -10.062 1.49 -4.995 {"}'M' greentint -9.918 1.704 -4.986 {"}'M' greentint -9.718 1.867 -4.979 {"}'M' greentint -10.211 1.361 -4.76 {"}'M' greentint -10.115 1.594 -4.75 {"}'M' greentint -9.961 1.794 -4.741 {"}'M' greentint -9.761 1.947 -4.734 {"}'M' greentint -9.528 2.043 -4.73 {"}'M' greentint -10.271 1.217 -4.507 {"}'M' greentint -10.211 1.46 -4.496 {"}'M' greentint -10.092 1.681 -4.487 {"}'M' greentint -9.922 1.865 -4.479 {"}'M' greentint -9.711 2.001 -4.473 {"}'M' greentint -9.473 2.08 -4.469 {"}'M' greentint -10.244 1.089 -4.253 {"}'M' greentint -10.211 1.338 -4.243 {"}'M' greentint -10.115 1.571 -4.232 {"}'M' greentint -9.961 1.771 -4.224 {"}'M' greentint -9.761 1.924 -4.217 {"}'M' greentint -9.528 2.021 -4.213 {"}'M' greentint -10.136 1.199 -4.007 {"}'M' greentint -10.062 1.446 -3.996 {"}'M' greentint -9.918 1.661 -3.987 {"}'M' greentint -9.718 1.823 -3.98 {"}'M' greentint -9.879 1.441 -3.789 {"}'M' greentint -9.704 1.633 -3.781 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 40 X}'M' greentint -9.617 1.911 -4.922 {"}'M' greentint -9.74 1.69 -4.932 {"}'M' greentint -9.906 1.498 -4.94 {"}'M' greentint -10.106 1.343 -4.947 {"}'M' greentint -9.516 1.902 -4.681 {"}'M' greentint -9.632 1.674 -4.691 {"}'M' greentint -9.789 1.472 -4.7 {"}'M' greentint -9.981 1.304 -4.707 {"}'M' greentint -10.202 1.174 -4.713 {"}'M' greentint -9.469 1.881 -4.428 {"}'M' greentint -9.584 1.65 -4.438 {"}'M' greentint -9.739 1.445 -4.447 {"}'M' greentint -9.929 1.272 -4.455 {"}'M' greentint -10.148 1.137 -4.46 {"}'M' greentint -9.466 1.877 -4.17 {"}'M' greentint -9.579 1.646 -4.18 {"}'M' greentint -9.733 1.44 -4.189 {"}'M' greentint -9.922 1.266 -4.196 {"}'M' greentint -10.14 1.129 -4.202 {"}'M' greentint -9.519 1.861 -3.916 {"}'M' greentint -9.636 1.634 -3.926 {"}'M' greentint -9.794 1.433 -3.935 {"}'M' greentint -9.988 1.265 -3.942 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n gly A 21 2fr2A_35Y_23G}P -6.708 5.782 -12.503 {"}-6.708 5.782 -12.503 { ca gly A 21 2fr2A_35Y_23G}-7.196 6.42 -11.304 { c gly A 21 2fr2A_35Y_23G}-7.312 5.433 -10.163 { o gly A 21 2fr2A_35Y_23G}-6.472 4.544 -10.021 { c gly A 21 2fr2A_35Y_23G}P -7.312 5.433 -10.163 { n arg A 22 2fr2A_35Y_23G}-8.36 5.605 -9.358 { ca arg A 22 2fr2A_35Y_23G}-8.444 4.921 -8.062 { c arg A 22 2fr2A_35Y_23G}-9.889 4.755 -7.735 { o arg A 22 2fr2A_35Y_23G}-10.702 5.598 -8.104 { c arg A 22 2fr2A_35Y_23G}P -9.889 4.755 -7.735 { n gly A 23 2fr2A_35Y_23G}-10.199 3.639 -7.071 { ca gly A 23 2fr2A_35Y_23G}-11.574 3.411 -6.643 { c gly A 23 2fr2A_35Y_23G}-11.624 2.613 -5.355 { o gly A 23 2fr2A_35Y_23G}-10.62 2.446 -4.652 { c gly A 23 2fr2A_35Y_23G}P -11.624 2.613 -5.355 { n ala A 24 2fr2A_35Y_23G}-12.818 2.129 -5.064 { ca ala A 24 2fr2A_35Y_23G}-13.07 1.38 -3.835 { c ala A 24 2fr2A_35Y_23G}-14.151 0.352 -4.058 { o ala A 24 2fr2A_35Y_23G}-14.997 0.495 -4.945 { c ala A 24 2fr2A_35Y_23G}P -14.151 0.352 -4.058 { n gly A 25 2fr2A_35Y_23G}-14.087 -0.716 -3.267 { ca gly A 25 2fr2A_35Y_23G}-15.032 -1.818 -3.361 { c gly A 25 2fr2A_35Y_23G}-15.562 -2.221 -1.99 { o gly A 25 2fr2A_35Y_23G}-14.924 -2.001 -0.938 { n phe A 33 2fr2A_35Y_23G}P -12.283 -2.423 0.455 {"}-12.283 -2.423 0.455 { ca phe A 33 2fr2A_35Y_23G}-10.938 -2.298 -0.041 { c phe A 33 2fr2A_35Y_23G}-10.851 -1.142 -1.026 { o phe A 33 2fr2A_35Y_23G}-11.875 -0.604 -1.455 { c phe A 33 2fr2A_35Y_23G}P -10.851 -1.142 -1.026 { n glu A 34 2fr2A_35Y_23G}-9.635 -0.743 -1.348 { ca glu A 34 2fr2A_35Y_23G}-9.416 0.275 -2.365 { c glu A 34 2fr2A_35Y_23G}-8.436 -0.26 -3.381 { o glu A 34 2fr2A_35Y_23G}-7.684 -1.191 -3.108 { c glu A 34 2fr2A_35Y_23G}P -8.436 -0.26 -3.381 { n tyr A 35 2fr2A_35Y_23G}-8.43 0.363 -4.555 { ca tyr A 35 2fr2A_35Y_23G}-7.587 -0.111 -5.644 { c tyr A 35 2fr2A_35Y_23G}-7.216 0.994 -6.596 { o tyr A 35 2fr2A_35Y_23G}-7.922 2.004 -6.692 { c tyr A 35 2fr2A_35Y_23G}P -7.216 0.994 -6.596 { n leu A 36 2fr2A_35Y_23G}-6.082 0.788 -7.273 { ca leu A 36 2fr2A_35Y_23G}-5.695 1.623 -8.412 { c leu A 36 2fr2A_35Y_23G}-6.197 0.912 -9.66 { o leu A 36 2fr2A_35Y_23G}-6.299 -0.325 -9.677 { c leu A 36 2fr2A_35Y_23G}P -6.197 0.912 -9.66 { n glu A 37 2fr2A_35Y_23G}-6.521 1.682 -10.69 { ca glu A 37 2fr2A_35Y_23G}-7.13 1.129 -11.892 { c glu A 37 2fr2A_35Y_23G}-6.544 1.793 -13.132 { o glu A 37 2fr2A_35Y_23G}-6.362 3.015 -13.149 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n gly A 21 2fr2A_35Y_23G}P -6.708 5.782 -12.503 { ca gly A 21 2fr2A_35Y_23G}P -7.196 6.42 -11.304 {"}P -7.196 6.42 -11.304 { n arg A 22 2fr2A_35Y_23G}P -8.36 5.605 -9.358 { ca arg A 22 2fr2A_35Y_23G}P -8.444 4.921 -8.062 { n gly A 23 2fr2A_35Y_23G}P -10.199 3.639 -7.071 { ca gly A 23 2fr2A_35Y_23G}P -11.574 3.411 -6.643 {"}P -11.574 3.411 -6.643 { n ala A 24 2fr2A_35Y_23G}P -12.818 2.129 -5.064 { ca ala A 24 2fr2A_35Y_23G}P -13.07 1.38 -3.835 { n gly A 25 2fr2A_35Y_23G}P -14.087 -0.716 -3.267 { ca gly A 25 2fr2A_35Y_23G}P -15.032 -1.818 -3.361 {"}P -15.032 -1.818 -3.361 { n phe A 33 2fr2A_35Y_23G}P -12.283 -2.423 0.455 { ca phe A 33 2fr2A_35Y_23G}P -10.938 -2.298 -0.041 { n glu A 34 2fr2A_35Y_23G}P -9.635 -0.743 -1.348 { ca glu A 34 2fr2A_35Y_23G}P -9.416 0.275 -2.365 { n tyr A 35 2fr2A_35Y_23G}P -8.43 0.363 -4.555 { ca tyr A 35 2fr2A_35Y_23G}P -7.587 -0.111 -5.644 { n leu A 36 2fr2A_35Y_23G}P -6.082 0.788 -7.273 { ca leu A 36 2fr2A_35Y_23G}P -5.695 1.623 -8.412 { n glu A 37 2fr2A_35Y_23G}P -6.521 1.682 -10.69 { ca glu A 37 2fr2A_35Y_23G}P -7.13 1.129 -11.892 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca gly A 21 2fr2A_35Y_23G}P -7.196 6.42 -11.304 {"}-7.196 6.42 -11.304 { ca arg A 22 2fr2A_35Y_23G}-8.444 4.921 -8.062 { ca gly A 23 2fr2A_35Y_23G}-11.574 3.411 -6.643 { ca ala A 24 2fr2A_35Y_23G}-13.07 1.38 -3.835 { ca gly A 25 2fr2A_35Y_23G}-15.032 -1.818 -3.361 { ca phe A 33 2fr2A_35Y_23G}P -10.938 -2.298 -0.041 {"}-10.938 -2.298 -0.041 { ca glu A 34 2fr2A_35Y_23G}-9.416 0.275 -2.365 { ca tyr A 35 2fr2A_35Y_23G}-7.587 -0.111 -5.644 { ca leu A 36 2fr2A_35Y_23G}-5.695 1.623 -8.412 { ca glu A 37 2fr2A_35Y_23G}-7.13 1.129 -11.892 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca arg A 22 2fr2A_35Y_23G}P -8.444 4.921 -8.062 { ca ala A 24 2fr2A_35Y_23G}P -13.07 1.38 -3.835 { ca phe A 33 2fr2A_35Y_23G}P -10.938 -2.298 -0.041 { ca glu A 34 2fr2A_35Y_23G}P -9.416 0.275 -2.365 { ca tyr A 35 2fr2A_35Y_23G}P -7.587 -0.111 -5.644 { cb tyr A 35 2fr2A_35Y_23G}-8.317 -1.239 -6.4 { cg tyr A 35 2fr2A_35Y_23G}-9.683 -0.821 -6.978 { cd1 tyr A 35 2fr2A_35Y_23G}-9.788 -0.295 -8.282 { ce1 tyr A 35 2fr2A_35Y_23G}-11.044 0.048 -8.839 { cz tyr A 35 2fr2A_35Y_23G}-12.205 -0.137 -8.069 { oh tyr A 35 2fr2A_35Y_23G}-13.479 0.154 -8.581 { cg tyr A 35 2fr2A_35Y_23G}P -9.683 -0.821 -6.978 { cd2 tyr A 35 2fr2A_35Y_23G}-10.858 -1.03 -6.262 { ce2 tyr A 35 2fr2A_35Y_23G}-12.093 -0.674 -6.778 { cz tyr A 35 2fr2A_35Y_23G}ghost -12.205 -0.137 -8.069 { ca leu A 36 2fr2A_35Y_23G}P -5.695 1.623 -8.412 { ca glu A 37 2fr2A_35Y_23G}P -7.13 1.129 -11.892 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 35 2fr2A_35Y_23G}P -8.317 -1.239 -6.4 {"}P -8.317 -1.239 -6.4 { cd1 tyr A 35 2fr2A_35Y_23G}P -9.788 -0.295 -8.282 { cd2 tyr A 35 2fr2A_35Y_23G}P -10.858 -1.03 -6.262 { ce1 tyr A 35 2fr2A_35Y_23G}P -11.044 0.048 -8.839 { ce2 tyr A 35 2fr2A_35Y_23G}P -12.093 -0.674 -6.778 { oh tyr A 35 2fr2A_35Y_23G}P -13.479 0.154 -8.581 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 35 2fr2A_35Y_23G}P -7.587 -0.111 -5.644 { cb tyr A 35 2fr2A_35Y_23G}-8.317 -1.239 -6.4 { cg tyr A 35 2fr2A_35Y_23G}-9.683 -0.821 -6.978 { cd1 tyr A 35 2fr2A_35Y_23G}-9.788 -0.295 -8.282 { ce1 tyr A 35 2fr2A_35Y_23G}-11.044 0.048 -8.839 { cz tyr A 35 2fr2A_35Y_23G}-12.205 -0.137 -8.069 { oh tyr A 35 2fr2A_35Y_23G}-13.479 0.154 -8.581 { cg tyr A 35 2fr2A_35Y_23G}P -9.683 -0.821 -6.978 { cd2 tyr A 35 2fr2A_35Y_23G}-10.858 -1.03 -6.262 { ce2 tyr A 35 2fr2A_35Y_23G}-12.093 -0.674 -6.778 { cz tyr A 35 2fr2A_35Y_23G}ghost -12.205 -0.137 -8.069 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 35 2fr2A_35Y_23G}P -8.317 -1.239 -6.4 {"}P -8.317 -1.239 -6.4 { cd1 tyr A 35 2fr2A_35Y_23G}P -9.788 -0.295 -8.282 { cd2 tyr A 35 2fr2A_35Y_23G}P -10.858 -1.03 -6.262 { ce1 tyr A 35 2fr2A_35Y_23G}P -11.044 0.048 -8.839 { ce2 tyr A 35 2fr2A_35Y_23G}P -12.093 -0.674 -6.778 { oh tyr A 35 2fr2A_35Y_23G}P -13.479 0.154 -8.581 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 35 A}'P' blue -11.742 1.586 -8.382 {"}'P' blue -11.555 1.565 -8.133 {"}'P' blue -11.307 1.626 -8.13 {"}'P' blue -11.488 1.458 -7.902 { CZ TYR 35 A}'P' blue -12.593 1.568 -8.125 {"}'P' sky -12.335 1.607 -8.124 {"}'P' sky -12.075 1.607 -8.124 {"}'P' sky -11.817 1.568 -8.125 {"}'P' sky -12.601 1.555 -7.864 {"}'P' blue -11.575 1.483 -7.867 {"}'P' sky -12.657 1.49 -7.608 {"}'P' sky -11.628 1.45 -7.61 {"}'P' sky -12.468 1.441 -7.36 {"}'P' sky -11.958 1.444 -7.36 {"}'P' blue -11.709 1.385 -7.363 {"}'P' blue -12.141 1.338 -7.129 @dotlist {x} color= white width= 1 master= {vdw contact} { CZ TYR 35 A}'P' sea -12.344 1.595 -7.862 {"}'P' sea -12.083 1.596 -7.862 {"}'P' sea -11.825 1.559 -7.864 {"}'P' sea -12.401 1.539 -7.606 {"}'P' sea -12.14 1.549 -7.606 {"}'P' sea -11.88 1.519 -7.607 {"}'P' sea -12.213 1.463 -7.359 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 23 A}'P' blue -11.984 2.003 -8.199 {"}'P' blue -12.244 2.001 -8.199 {"}'P' blue -11.523 2.03 -7.976 {"}'P' blue -11.748 1.912 -7.981 {"}'P' sky -11.995 1.852 -7.984 {"}'P' sky -12.496 1.912 -7.981 {"}'P' blue -11.62 1.863 -7.736 {"}'P' sky -12.61 1.856 -7.736 {"}'P' blue -11.574 1.842 -7.476 {"}'P' sky -11.809 1.749 -7.48 {"}'P' sky -12.555 1.789 -7.478 {"}'P' blue -11.86 1.754 -7.219 {"}'P' sky -12.114 1.724 -7.221 {"}'P' sky -12.368 1.751 -7.219 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 23 A}'P' sea -12.249 1.852 -7.984 {"}'P' sea -11.86 1.777 -7.74 {"}'P' sea -12.114 1.747 -7.741 {"}'P' sea -12.368 1.774 -7.74 {"}'P' sea -12.059 1.708 -7.482 {"}'P' sea -12.311 1.722 -7.481 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 35 A}'M' greentint -9.169 2.158 -7.31 {"}'M' greentint -9.118 2.406 -7.299 {"}'M' greentint -9.018 2.639 -7.289 {"}'M' greentint -8.873 2.847 -7.28 {"}'M' greentint -8.689 3.021 -7.272 {"}'M' greentint -9.263 2.14 -7.07 {"}'M' greentint -9.216 2.392 -7.059 {"}'M' greentint -9.123 2.63 -7.048 {"}'M' greentint -8.985 2.846 -7.039 {"}'M' greentint -8.81 3.032 -7.031 {"}'M' greentint -9.316 2.01 -6.821 {"}'M' greentint -9.292 2.266 -6.81 {"}'M' greentint -9.222 2.513 -6.799 {"}'M' greentint -9.107 2.743 -6.789 {"}'M' greentint -8.952 2.948 -6.78 {"}'M' greentint -8.762 3.121 -6.773 {"}'M' greentint -9.316 1.99 -6.563 {"}'M' greentint -9.294 2.246 -6.552 {"}'M' greentint -9.225 2.494 -6.541 {"}'M' greentint -9.112 2.725 -6.531 {"}'M' greentint -8.958 2.931 -6.522 {"}'M' greentint -8.769 3.105 -6.515 {"}'M' greentint -9.214 2.366 -6.293 {"}'M' greentint -9.119 2.604 -6.282 {"}'M' greentint -8.98 2.819 -6.273 {"}'M' greentint -8.804 3.004 -6.265 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 23 A}'M' greentint -8.721 2.691 -7.341 {"}'M' greentint -8.831 2.457 -7.352 {"}'M' greentint -9.005 2.267 -7.36 {"}'M' greentint -8.685 2.946 -7.33 {"}'M' greentint -8.618 2.678 -7.1 {"}'M' greentint -8.714 2.445 -7.111 {"}'M' greentint -8.868 2.245 -7.119 {"}'M' greentint -9.068 2.092 -7.126 {"}'M' greentint -8.585 2.927 -7.09 {"}'M' greentint -8.58 2.675 -6.842 {"}'M' greentint -8.671 2.442 -6.852 {"}'M' greentint -8.817 2.238 -6.861 {"}'M' greentint -9.008 2.077 -6.868 {"}'M' greentint -9.234 1.968 -6.872 {"}'M' greentint -8.584 3.172 -6.82 {"}'M' greentint -8.551 2.924 -6.831 {"}'M' greentint -8.618 2.655 -6.583 {"}'M' greentint -8.714 2.422 -6.593 {"}'M' greentint -8.868 2.222 -6.602 {"}'M' greentint -9.068 2.069 -6.609 {"}'M' greentint -9.301 1.973 -6.613 {"}'M' greentint -8.618 3.154 -6.562 {"}'M' greentint -8.585 2.905 -6.572 {"}'M' greentint -8.721 2.647 -6.342 {"}'M' greentint -8.831 2.414 -6.352 {"}'M' greentint -9.005 2.223 -6.361 {"}'M' greentint -9.227 2.092 -6.367 {"}'M' greentint -8.685 2.902 -6.331 {"}'M' greentint -8.892 2.63 -6.136 {"}'M' greentint -9.028 2.409 -6.145 {"}'M' greentint -8.844 2.885 -6.125 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 35 A}'M' green -9.419 1.937 -5.237 {"}'M' green -9.945 1.159 -4.511 {"}'M' green -9.229 2.091 -4.471 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 35 A}'M' greentint -9.763 1.56 -5.253 {"}'M' greentint -9.619 1.774 -5.244 {"}'M' greentint -9.912 1.431 -5.018 {"}'M' greentint -9.816 1.664 -5.008 {"}'M' greentint -9.662 1.864 -4.999 {"}'M' greentint -9.462 2.017 -4.992 {"}'M' greentint -9.972 1.287 -4.765 {"}'M' greentint -9.912 1.53 -4.754 {"}'M' greentint -9.793 1.751 -4.745 {"}'M' greentint -9.623 1.935 -4.737 {"}'M' greentint -9.412 2.071 -4.731 {"}'M' greentint -9.912 1.408 -4.501 {"}'M' greentint -9.816 1.641 -4.49 {"}'M' greentint -9.662 1.841 -4.482 {"}'M' greentint -9.462 1.994 -4.475 {"}'M' greentint -9.763 1.516 -4.254 {"}'M' greentint -9.619 1.731 -4.245 {"}'M' greentint -9.419 1.893 -4.238 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 23 A}'M' green -9.468 1.979 -5.297 {"}'M' green -9.591 1.758 -5.307 {"}'M' green -9.757 1.566 -5.315 {"}'M' green -9.25 2.196 -4.792 {"}'M' green -9.999 1.205 -4.835 {"}'M' green -9.248 2.193 -4.534 {"}'M' green -9.991 1.197 -4.577 {"}'M' green -9.587 1.71 -4.059 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 23 A}'M' greentint -9.367 1.97 -5.056 {"}'M' greentint -9.483 1.742 -5.066 {"}'M' greentint -9.64 1.54 -5.075 {"}'M' greentint -9.832 1.372 -5.082 {"}'M' greentint -9.32 1.949 -4.803 {"}'M' greentint -9.435 1.718 -4.813 {"}'M' greentint -9.59 1.513 -4.822 {"}'M' greentint -9.78 1.34 -4.83 {"}'M' greentint -9.317 1.945 -4.545 {"}'M' greentint -9.43 1.714 -4.555 {"}'M' greentint -9.584 1.508 -4.564 {"}'M' greentint -9.773 1.334 -4.571 {"}'M' greentint -9.37 1.929 -4.291 {"}'M' greentint -9.487 1.702 -4.301 {"}'M' greentint -9.645 1.501 -4.31 {"}'M' greentint -9.839 1.333 -4.317 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n gly A 77 2fwvA_90F_79G}P -6.729 6.32 -11.923 {"}-6.729 6.32 -11.923 { ca gly A 77 2fwvA_90F_79G}-7.203 6.788 -10.627 { c gly A 77 2fwvA_90F_79G}-7.35 5.663 -9.668 { o gly A 77 2fwvA_90F_79G}-6.685 4.647 -9.81 { c gly A 77 2fwvA_90F_79G}P -7.35 5.663 -9.668 { n glu A 78 2fwvA_90F_79G}-8.185 5.885 -8.662 { ca glu A 78 2fwvA_90F_79G}-8.417 4.927 -7.587 { c glu A 78 2fwvA_90F_79G}-9.905 4.662 -7.464 { o glu A 78 2fwvA_90F_79G}-10.766 5.477 -7.884 { c glu A 78 2fwvA_90F_79G}P -9.905 4.662 -7.464 { n gly A 79 2fwvA_90F_79G}-10.229 3.534 -6.856 { ca gly A 79 2fwvA_90F_79G}-11.61 3.182 -6.644 { c gly A 79 2fwvA_90F_79G}-11.764 2.474 -5.321 { o gly A 79 2fwvA_90F_79G}-10.77 2.3 -4.578 { c gly A 79 2fwvA_90F_79G}P -11.764 2.474 -5.321 { n glu A 80 2fwvA_90F_79G}-13.005 2.079 -5.054 { ca glu A 80 2fwvA_90F_79G}-13.389 1.413 -3.808 { c glu A 80 2fwvA_90F_79G}-14.218 0.208 -4.178 { o glu A 80 2fwvA_90F_79G}-15.038 0.279 -5.091 { c glu A 80 2fwvA_90F_79G}P -14.218 0.208 -4.178 { n gly A 81 2fwvA_90F_79G}-13.996 -0.899 -3.481 { ca gly A 81 2fwvA_90F_79G}-14.778 -2.096 -3.668 { c gly A 81 2fwvA_90F_79G}-15.333 -2.61 -2.353 { o gly A 81 2fwvA_90F_79G}-14.838 -2.263 -1.259 { n tyr A 88 2fwvA_90F_79G}P -12.486 -2.113 0.359 {"}-12.486 -2.113 0.359 { ca tyr A 88 2fwvA_90F_79G}-11.08 -2.103 0.034 { c tyr A 88 2fwvA_90F_79G}-10.798 -1.056 -1.071 { o tyr A 88 2fwvA_90F_79G}-11.721 -0.561 -1.741 { c tyr A 88 2fwvA_90F_79G}P -10.798 -1.056 -1.071 { n arg A 89 2fwvA_90F_79G}-9.53 -0.704 -1.205 { ca arg A 89 2fwvA_90F_79G}-9.098 0.274 -2.212 { c arg A 89 2fwvA_90F_79G}-8.42 -0.437 -3.368 { o arg A 89 2fwvA_90F_79G}-7.794 -1.501 -3.2 { c arg A 89 2fwvA_90F_79G}P -8.42 -0.437 -3.368 { n phe A 90 2fwvA_90F_79G}-8.513 0.18 -4.544 { ca phe A 90 2fwvA_90F_79G}-7.743 -0.302 -5.687 { c phe A 90 2fwvA_90F_79G}-7.326 0.858 -6.581 { o phe A 90 2fwvA_90F_79G}-7.938 1.93 -6.542 { c phe A 90 2fwvA_90F_79G}P -7.326 0.858 -6.581 { n gly A 91 2fwvA_90F_79G}-6.268 0.658 -7.366 { ca gly A 91 2fwvA_90F_79G}-5.933 1.605 -8.412 { c gly A 91 2fwvA_90F_79G}-6.302 0.999 -9.766 { o gly A 91 2fwvA_90F_79G}-6.511 -0.201 -9.887 { c gly A 91 2fwvA_90F_79G}P -6.302 0.999 -9.766 { n gln A 92 2fwvA_90F_79G}-6.414 1.852 -10.767 { ca gln A 92 2fwvA_90F_79G}-6.877 1.374 -12.075 { c gln A 92 2fwvA_90F_79G}-6.416 2.281 -13.205 { o gln A 92 2fwvA_90F_79G}-6.327 3.524 -13.038 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n gly A 77 2fwvA_90F_79G}P -6.729 6.32 -11.923 { ca gly A 77 2fwvA_90F_79G}P -7.203 6.788 -10.627 {"}P -7.203 6.788 -10.627 { n glu A 78 2fwvA_90F_79G}P -8.185 5.885 -8.662 { ca glu A 78 2fwvA_90F_79G}P -8.417 4.927 -7.587 { n gly A 79 2fwvA_90F_79G}P -10.229 3.534 -6.856 { ca gly A 79 2fwvA_90F_79G}P -11.61 3.182 -6.644 {"}P -11.61 3.182 -6.644 { n glu A 80 2fwvA_90F_79G}P -13.005 2.079 -5.054 { ca glu A 80 2fwvA_90F_79G}P -13.389 1.413 -3.808 { n gly A 81 2fwvA_90F_79G}P -13.996 -0.899 -3.481 { ca gly A 81 2fwvA_90F_79G}P -14.778 -2.096 -3.668 {"}P -14.778 -2.096 -3.668 { n tyr A 88 2fwvA_90F_79G}P -12.486 -2.113 0.359 { ca tyr A 88 2fwvA_90F_79G}P -11.08 -2.103 0.034 { n arg A 89 2fwvA_90F_79G}P -9.53 -0.704 -1.205 { ca arg A 89 2fwvA_90F_79G}P -9.098 0.274 -2.212 { n phe A 90 2fwvA_90F_79G}P -8.513 0.18 -4.544 { ca phe A 90 2fwvA_90F_79G}P -7.743 -0.302 -5.687 { n gly A 91 2fwvA_90F_79G}P -6.268 0.658 -7.366 { ca gly A 91 2fwvA_90F_79G}P -5.933 1.605 -8.412 {"}P -5.933 1.605 -8.412 { n gln A 92 2fwvA_90F_79G}P -6.414 1.852 -10.767 { ca gln A 92 2fwvA_90F_79G}P -6.877 1.374 -12.075 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca gly A 77 2fwvA_90F_79G}P -7.203 6.788 -10.627 {"}-7.203 6.788 -10.627 { ca glu A 78 2fwvA_90F_79G}-8.417 4.927 -7.587 { ca gly A 79 2fwvA_90F_79G}-11.61 3.182 -6.644 { ca glu A 80 2fwvA_90F_79G}-13.389 1.413 -3.808 { ca gly A 81 2fwvA_90F_79G}-14.778 -2.096 -3.668 { ca tyr A 88 2fwvA_90F_79G}P -11.08 -2.103 0.034 {"}-11.08 -2.103 0.034 { ca arg A 89 2fwvA_90F_79G}-9.098 0.274 -2.212 { ca phe A 90 2fwvA_90F_79G}-7.743 -0.302 -5.687 { ca gly A 91 2fwvA_90F_79G}-5.933 1.605 -8.412 { ca gln A 92 2fwvA_90F_79G}-6.877 1.374 -12.075 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca glu A 78 2fwvA_90F_79G}P -8.417 4.927 -7.587 { ca glu A 80 2fwvA_90F_79G}P -13.389 1.413 -3.808 { ca tyr A 88 2fwvA_90F_79G}P -11.08 -2.103 0.034 { ca arg A 89 2fwvA_90F_79G}P -9.098 0.274 -2.212 { ca phe A 90 2fwvA_90F_79G}P -7.743 -0.302 -5.687 { cb phe A 90 2fwvA_90F_79G}-8.537 -1.366 -6.476 { cg phe A 90 2fwvA_90F_79G}-9.808 -0.868 -7.082 { cd1 phe A 90 2fwvA_90F_79G}-9.806 -0.3 -8.366 { ce1 phe A 90 2fwvA_90F_79G}-11.032 0.154 -8.959 { cz phe A 90 2fwvA_90F_79G}-12.251 0.01 -8.256 { cg phe A 90 2fwvA_90F_79G}P -9.808 -0.868 -7.082 { cd2 phe A 90 2fwvA_90F_79G}-11.02 -1.028 -6.413 { ce2 phe A 90 2fwvA_90F_79G}-12.242 -0.606 -6.984 { cz phe A 90 2fwvA_90F_79G}ghost -12.251 0.01 -8.256 { ca gln A 92 2fwvA_90F_79G}P -6.877 1.374 -12.075 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 90 2fwvA_90F_79G}P -8.537 -1.366 -6.476 {"}P -8.537 -1.366 -6.476 { cd1 phe A 90 2fwvA_90F_79G}P -9.806 -0.3 -8.366 { cd2 phe A 90 2fwvA_90F_79G}P -11.02 -1.028 -6.413 { ce1 phe A 90 2fwvA_90F_79G}P -11.032 0.154 -8.959 { ce2 phe A 90 2fwvA_90F_79G}P -12.242 -0.606 -6.984 { cz phe A 90 2fwvA_90F_79G}P -12.251 0.01 -8.256 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 90 2fwvA_90F_79G}P -7.743 -0.302 -5.687 { cb phe A 90 2fwvA_90F_79G}-8.537 -1.366 -6.476 { cg phe A 90 2fwvA_90F_79G}-9.808 -0.868 -7.082 { cd1 phe A 90 2fwvA_90F_79G}-9.806 -0.3 -8.366 { ce1 phe A 90 2fwvA_90F_79G}-11.032 0.154 -8.959 { cz phe A 90 2fwvA_90F_79G}-12.251 0.01 -8.256 { cg phe A 90 2fwvA_90F_79G}P -9.808 -0.868 -7.082 { cd2 phe A 90 2fwvA_90F_79G}-11.02 -1.028 -6.413 { ce2 phe A 90 2fwvA_90F_79G}-12.242 -0.606 -6.984 { cz phe A 90 2fwvA_90F_79G}ghost -12.251 0.01 -8.256 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 90 2fwvA_90F_79G}P -8.537 -1.366 -6.476 {"}P -8.537 -1.366 -6.476 { cd1 phe A 90 2fwvA_90F_79G}P -9.806 -0.3 -8.366 { cd2 phe A 90 2fwvA_90F_79G}P -11.02 -1.028 -6.413 { ce1 phe A 90 2fwvA_90F_79G}P -11.032 0.154 -8.959 { ce2 phe A 90 2fwvA_90F_79G}P -12.242 -0.606 -6.984 { cz phe A 90 2fwvA_90F_79G}P -12.251 0.01 -8.256 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 90 A}'P' blue -11.677 1.768 -8.758 {"}'P' sky -11.228 1.83 -8.496 {"}'P' sky -11.04 1.754 -8.249 {"}'P' sky -10.968 1.629 -8.019 {"}'P' sky -10.975 1.472 -7.809 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 90 A}'P' sea -11.73 1.692 -8.502 {"}'P' sea -11.484 1.781 -8.498 {"}'P' green -11.543 1.671 -8.253 {"}'P' green -11.295 1.732 -8.25 {"}'P' green -11.476 1.564 -8.022 {"}'P' green -11.225 1.618 -8.019 {"}'P' sea -11.235 1.458 -7.81 { CZ PHE 90 A}'P' green -12.381 1.754 -8.311 {"}'P' green -11.863 1.715 -8.312 {"}'P' green -12.647 1.702 -8.051 {"}'P' green -12.703 1.637 -7.795 {"}'P' green -11.436 1.49 -7.802 {"}'P' green -12.762 1.527 -7.55 {"}'P' green -11.519 1.436 -7.554 {"}'P' green -12.444 1.474 -7.316 {"}'P' green -11.686 1.377 -7.32 {"}'P' green -12.194 1.328 -7.106 {"}'P' green -11.936 1.293 -7.108 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 90 A}'P' P -12.121 1.754 -8.311 {"}'P' -12.121 1.751 -8.311 {"}'P' P -12.39 1.742 -8.049 {"}'P' -12.386 1.695 -8.055 {"}'P' P -12.129 1.743 -8.049 {"}'P' -12.135 1.659 -8.06 {"}'P' P -11.871 1.706 -8.051 {"}'P' -11.887 1.633 -8.06 {"}'P' P -11.621 1.63 -8.054 {"}'P' -11.628 1.613 -8.057 {"}'P' P -12.447 1.686 -7.793 {"}'P' -12.439 1.619 -7.811 {"}'P' P -12.186 1.696 -7.793 {"}'P' -12.19 1.579 -7.825 {"}'P' P -11.926 1.666 -7.794 {"}'P' -11.949 1.552 -7.826 {"}'P' P -11.674 1.597 -7.797 {"}'P' -11.697 1.536 -7.815 {"}'P' P -12.514 1.588 -7.547 {"}'P' -12.508 1.556 -7.562 {"}'P' P -12.259 1.61 -7.546 {"}'P' -12.259 1.52 -7.586 {"}'P' P -12.004 1.591 -7.547 {"}'P' -12.02 1.49 -7.592 {"}'P' P -11.755 1.532 -7.55 {"}'P' -11.776 1.47 -7.579 {"}'P' P -12.187 1.485 -7.316 {"}'P' -12.188 1.448 -7.339 {"}'P' P -11.932 1.452 -7.317 {"}'P' -11.939 1.419 -7.338 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 79 A}'P' sky -11.403 2.104 -8.395 {"}'P' sky -11.188 2.078 -8.211 {"}'P' sky -11.065 1.84 -7.752 {"}'P' sky -11.205 1.642 -7.5 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 79 A}'P' sea -11.597 1.942 -8.402 {"}'P' green -12.089 1.855 -8.406 {"}'P' sea -11.357 1.88 -8.22 {"}'P' green -11.574 1.737 -8.226 {"}'P' sea -11.173 1.857 -7.999 {"}'P' green -11.363 1.688 -8.006 {"}'P' sea -11.244 1.658 -7.76 {"}'P' green -11.46 1.521 -7.766 {"}'P' green -12.667 1.648 -7.76 {"}'P' green -11.414 1.5 -7.506 {"}'P' green -12.619 1.566 -7.503 {"}'P' green -11.7 1.412 -7.249 {"}'P' green -12.45 1.491 -7.246 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 79 A}'P' P -11.824 1.661 -8.229 {"}'P' -11.826 1.678 -8.215 {"}'P' P -12.084 1.659 -8.229 {"}'P' -12.079 1.694 -8.199 {"}'P' P -12.334 1.73 -8.226 {"}'P' -12.33 1.74 -8.217 {"}'P' P -11.588 1.57 -8.011 {"}'P' -11.594 1.586 -8.002 {"}'P' P -11.835 1.51 -8.014 {"}'P' -11.844 1.586 -7.972 {"}'P' P -12.089 1.51 -8.014 {"}'P' -12.077 1.607 -7.961 {"}'P' P -12.336 1.57 -8.011 {"}'P' -12.309 1.64 -7.972 {"}'P' P -12.561 1.688 -8.006 {"}'P' -12.554 1.697 -8 {"}'P' P -11.7 1.435 -7.77 {"}'P' -11.717 1.504 -7.75 {"}'P' P -11.954 1.405 -7.771 {"}'P' -11.955 1.522 -7.739 {"}'P' P -12.208 1.432 -7.77 {"}'P' -12.182 1.548 -7.737 {"}'P' P -12.45 1.514 -7.766 {"}'P' -12.417 1.582 -7.746 {"}'P' P -11.649 1.407 -7.51 {"}'P' -11.656 1.434 -7.509 {"}'P' P -11.899 1.366 -7.512 {"}'P' -11.903 1.448 -7.508 {"}'P' P -12.151 1.38 -7.511 {"}'P' -12.136 1.472 -7.507 {"}'P' P -12.395 1.447 -7.508 {"}'P' -12.372 1.505 -7.506 {"}'P' P -11.954 1.382 -7.251 {"}'P' -11.954 1.394 -7.253 {"}'P' P -12.208 1.409 -7.249 {"}'P' -12.205 1.421 -7.252 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 90 A}'M' greentint -9.134 2.332 -7.149 {"}'M' greentint -9.034 2.565 -7.139 {"}'M' greentint -8.889 2.773 -7.13 {"}'M' greentint -9.279 2.066 -6.92 {"}'M' greentint -9.232 2.318 -6.909 {"}'M' greentint -9.139 2.556 -6.898 {"}'M' greentint -9.001 2.772 -6.889 {"}'M' greentint -8.826 2.958 -6.881 {"}'M' greentint -9.332 1.936 -6.671 {"}'M' greentint -9.308 2.192 -6.66 {"}'M' greentint -9.238 2.439 -6.649 {"}'M' greentint -9.123 2.669 -6.639 {"}'M' greentint -8.968 2.874 -6.63 {"}'M' greentint -8.778 3.047 -6.623 {"}'M' greentint -9.332 1.916 -6.413 {"}'M' greentint -9.31 2.172 -6.402 {"}'M' greentint -9.241 2.42 -6.391 {"}'M' greentint -9.128 2.651 -6.381 {"}'M' greentint -8.974 2.857 -6.372 {"}'M' greentint -8.785 3.031 -6.365 {"}'M' greentint -9.278 2.041 -6.154 {"}'M' greentint -9.23 2.292 -6.143 {"}'M' greentint -9.135 2.53 -6.132 {"}'M' greentint -8.996 2.745 -6.123 {"}'M' greentint -8.82 2.93 -6.115 {"}'M' greentint -9.136 2.27 -5.903 {"}'M' greentint -9.038 2.503 -5.892 {"}'M' greentint -8.894 2.712 -5.883 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 79 A}'M' greentint -8.91 2.643 -7.23 {"}'M' greentint -9.046 2.422 -7.239 {"}'M' greentint -8.739 2.642 -7.022 {"}'M' greentint -8.849 2.408 -7.033 {"}'M' greentint -9.023 2.218 -7.041 {"}'M' greentint -8.703 2.897 -7.011 {"}'M' greentint -8.636 2.629 -6.781 {"}'M' greentint -8.732 2.396 -6.792 {"}'M' greentint -8.886 2.196 -6.8 {"}'M' greentint -9.086 2.043 -6.807 {"}'M' greentint -8.603 2.878 -6.771 {"}'M' greentint -8.598 2.626 -6.523 {"}'M' greentint -8.689 2.393 -6.533 {"}'M' greentint -8.835 2.189 -6.542 {"}'M' greentint -9.026 2.028 -6.549 {"}'M' greentint -9.252 1.919 -6.553 {"}'M' greentint -8.602 3.123 -6.501 {"}'M' greentint -8.569 2.875 -6.512 {"}'M' greentint -8.636 2.606 -6.264 {"}'M' greentint -8.732 2.373 -6.274 {"}'M' greentint -8.886 2.173 -6.283 {"}'M' greentint -9.086 2.02 -6.29 {"}'M' greentint -8.636 3.105 -6.243 {"}'M' greentint -8.603 2.856 -6.253 {"}'M' greentint -8.739 2.598 -6.023 {"}'M' greentint -8.849 2.365 -6.033 {"}'M' greentint -9.023 2.174 -6.042 {"}'M' greentint -8.703 2.853 -6.012 {"}'M' greentint -8.91 2.581 -5.817 {"}'M' greentint -9.046 2.36 -5.826 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 90 A}'M' green -9.871 1.369 -5.208 {"}'M' green -9.727 1.583 -5.199 {"}'M' green -9.527 1.746 -5.192 {"}'M' green -10.053 0.968 -4.466 {"}'M' green -9.337 1.9 -4.426 {"}'M' green -9.945 1.078 -4.22 {"}'M' green -9.527 1.702 -4.193 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 90 A}'M' greentint -10.02 1.24 -4.973 {"}'M' greentint -9.924 1.473 -4.963 {"}'M' greentint -9.77 1.673 -4.954 {"}'M' greentint -9.57 1.826 -4.947 {"}'M' greentint -10.08 1.096 -4.72 {"}'M' greentint -10.02 1.339 -4.709 {"}'M' greentint -9.901 1.56 -4.7 {"}'M' greentint -9.731 1.744 -4.692 {"}'M' greentint -9.52 1.88 -4.686 {"}'M' greentint -10.02 1.217 -4.456 {"}'M' greentint -9.924 1.45 -4.445 {"}'M' greentint -9.77 1.65 -4.437 {"}'M' greentint -9.57 1.803 -4.43 {"}'M' greentint -9.871 1.325 -4.209 {"}'M' greentint -9.727 1.54 -4.2 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 79 A}'M' green -9.618 1.833 -5.223 {"}'M' green -9.741 1.612 -5.233 {"}'M' green -9.907 1.42 -5.241 {"}'M' green -9.4 2.05 -4.718 {"}'M' green -10.149 1.059 -4.761 {"}'M' green -9.398 2.047 -4.46 {"}'M' green -10.141 1.051 -4.503 {"}'M' green -9.52 1.783 -4.217 {"}'M' green -9.989 1.187 -4.243 {"}'M' green -9.737 1.564 -3.985 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 79 A}'M' greentint -9.517 1.824 -4.982 {"}'M' greentint -9.633 1.596 -4.992 {"}'M' greentint -9.79 1.394 -5.001 {"}'M' greentint -9.982 1.226 -5.008 {"}'M' greentint -9.47 1.803 -4.729 {"}'M' greentint -9.585 1.572 -4.739 {"}'M' greentint -9.74 1.367 -4.748 {"}'M' greentint -9.93 1.194 -4.756 {"}'M' greentint -9.467 1.799 -4.471 {"}'M' greentint -9.58 1.568 -4.481 {"}'M' greentint -9.734 1.362 -4.49 {"}'M' greentint -9.923 1.188 -4.497 {"}'M' greentint -9.637 1.556 -4.227 {"}'M' greentint -9.795 1.355 -4.236 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n arg A 235 2g5fA_237F_248}P -11.209 -2.064 1.445 {"}-11.209 -2.064 1.445 { ca arg A 235 2g5fA_237F_248}-10.709 -2.389 0.115 { c arg A 235 2g5fA_237F_248}-10.608 -1.109 -0.704 { o arg A 235 2g5fA_237F_248}-11.419 -0.196 -0.549 { c arg A 235 2g5fA_237F_248}P -10.608 -1.109 -0.704 { n ser A 236 2g5fA_237F_248}-9.603 -1.04 -1.566 { ca ser A 236 2g5fA_237F_248}-9.436 0.114 -2.44 { c ser A 236 2g5fA_237F_248}-8.683 -0.342 -3.677 { o ser A 236 2g5fA_237F_248}-8.102 -1.433 -3.693 { c ser A 236 2g5fA_237F_248}P -8.683 -0.342 -3.677 { n phe A 237 2g5fA_237F_248}-8.707 0.469 -4.727 { ca phe A 237 2g5fA_237F_248}-8.041 0.075 -5.953 { c phe A 237 2g5fA_237F_248}-7.645 1.252 -6.825 { o phe A 237 2g5fA_237F_248}-8.143 2.362 -6.666 { c phe A 237 2g5fA_237F_248}P -7.645 1.252 -6.825 { n leu A 238 2g5fA_237F_248}-6.737 0.969 -7.75 { ca leu A 238 2g5fA_237F_248}-6.214 1.932 -8.71 { c leu A 238 2g5fA_237F_248}-5.826 1.055 -9.879 { o leu A 238 2g5fA_237F_248}-5.087 0.08 -9.709 { c leu A 238 2g5fA_237F_248}P -5.826 1.055 -9.879 { n leu A 239 2g5fA_237F_248}-6.318 1.382 -11.065 { ca leu A 239 2g5fA_237F_248}-5.995 0.557 -12.212 { c leu A 239 2g5fA_237F_248}-5.944 1.283 -13.543 { o leu A 239 2g5fA_237F_248}-6.492 2.375 -13.711 { n ala A 246 2g5fA_237F_248}P -9.11 3.857 -13.485 {"}-9.11 3.857 -13.485 { ca ala A 246 2g5fA_237F_248}-10.114 3.93 -12.431 { c ala A 246 2g5fA_237F_248}-9.473 3.788 -11.067 { o ala A 246 2g5fA_237F_248}-8.432 3.145 -10.916 { c ala A 246 2g5fA_237F_248}P -9.473 3.788 -11.067 { n leu A 247 2g5fA_237F_248}-10.1 4.411 -10.08 { ca leu A 247 2g5fA_237F_248}-9.633 4.328 -8.708 { c leu A 247 2g5fA_237F_248}-10.876 4.346 -7.841 { o leu A 247 2g5fA_237F_248}-11.916 4.887 -8.242 { c leu A 247 2g5fA_237F_248}P -10.876 4.346 -7.841 { n gly A 248 2g5fA_237F_248}-10.786 3.751 -6.657 { ca gly A 248 2g5fA_237F_248}-11.945 3.741 -5.795 { c gly A 248 2g5fA_237F_248}-11.665 3.263 -4.391 { o gly A 248 2g5fA_237F_248}-10.652 2.608 -4.116 { c gly A 248 2g5fA_237F_248}P -11.665 3.263 -4.391 { n tyr A 249 2g5fA_237F_248}-12.591 3.605 -3.505 { ca tyr A 249 2g5fA_237F_248}-12.524 3.241 -2.095 { c tyr A 249 2g5fA_237F_248}-13.812 2.468 -1.845 { o tyr A 249 2g5fA_237F_248}-14.909 3.024 -1.937 { c tyr A 249 2g5fA_237F_248}P -13.812 2.468 -1.845 { n ser A 250 2g5fA_237F_248}-13.666 1.183 -1.536 { ca ser A 250 2g5fA_237F_248}-14.801 0.297 -1.354 { c ser A 250 2g5fA_237F_248}-14.921 -0.351 0.022 { o ser A 250 2g5fA_237F_248}-14.186 -1.284 0.354 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n arg A 235 2g5fA_237F_248}P -11.209 -2.064 1.445 { ca arg A 235 2g5fA_237F_248}P -10.709 -2.389 0.115 { n ser A 236 2g5fA_237F_248}P -9.603 -1.04 -1.566 { ca ser A 236 2g5fA_237F_248}P -9.436 0.114 -2.44 { n phe A 237 2g5fA_237F_248}P -8.707 0.469 -4.727 { ca phe A 237 2g5fA_237F_248}P -8.041 0.075 -5.953 { n leu A 238 2g5fA_237F_248}P -6.737 0.969 -7.75 { ca leu A 238 2g5fA_237F_248}P -6.214 1.932 -8.71 { n leu A 239 2g5fA_237F_248}P -6.318 1.382 -11.065 { ca leu A 239 2g5fA_237F_248}P -5.995 0.557 -12.212 { n ala A 246 2g5fA_237F_248}P -9.11 3.857 -13.485 { ca ala A 246 2g5fA_237F_248}P -10.114 3.93 -12.431 { n leu A 247 2g5fA_237F_248}P -10.1 4.411 -10.08 { ca leu A 247 2g5fA_237F_248}P -9.633 4.328 -8.708 { n gly A 248 2g5fA_237F_248}P -10.786 3.751 -6.657 { ca gly A 248 2g5fA_237F_248}P -11.945 3.741 -5.795 {"}P -11.945 3.741 -5.795 { n tyr A 249 2g5fA_237F_248}P -12.591 3.605 -3.505 { ca tyr A 249 2g5fA_237F_248}P -12.524 3.241 -2.095 { n ser A 250 2g5fA_237F_248}P -13.666 1.183 -1.536 { ca ser A 250 2g5fA_237F_248}P -14.801 0.297 -1.354 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca arg A 235 2g5fA_237F_248}P -10.709 -2.389 0.115 {"}-10.709 -2.389 0.115 { ca ser A 236 2g5fA_237F_248}-9.436 0.114 -2.44 { ca phe A 237 2g5fA_237F_248}-8.041 0.075 -5.953 { ca leu A 238 2g5fA_237F_248}-6.214 1.932 -8.71 { ca leu A 239 2g5fA_237F_248}-5.995 0.557 -12.212 { ca ala A 246 2g5fA_237F_248}P -10.114 3.93 -12.431 {"}-10.114 3.93 -12.431 { ca leu A 247 2g5fA_237F_248}-9.633 4.328 -8.708 { ca gly A 248 2g5fA_237F_248}-11.945 3.741 -5.795 { ca tyr A 249 2g5fA_237F_248}-12.524 3.241 -2.095 { ca ser A 250 2g5fA_237F_248}-14.801 0.297 -1.354 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca arg A 235 2g5fA_237F_248}P -10.709 -2.389 0.115 { ca ser A 236 2g5fA_237F_248}P -9.436 0.114 -2.44 { ca phe A 237 2g5fA_237F_248}P -8.041 0.075 -5.953 { cb phe A 237 2g5fA_237F_248}-8.953 -0.869 -6.749 { cg phe A 237 2g5fA_237F_248}-10.148 -0.182 -7.365 { cd1 phe A 237 2g5fA_237F_248}-10.075 0.353 -8.648 { ce1 phe A 237 2g5fA_237F_248}-11.163 1.024 -9.21 { cz phe A 237 2g5fA_237F_248}-12.341 1.16 -8.478 { cg phe A 237 2g5fA_237F_248}P -10.148 -0.182 -7.365 { cd2 phe A 237 2g5fA_237F_248}-11.329 -0.038 -6.645 { ce2 phe A 237 2g5fA_237F_248}-12.425 0.628 -7.193 { cz phe A 237 2g5fA_237F_248}ghost -12.341 1.16 -8.478 { ca leu A 238 2g5fA_237F_248}P -6.214 1.932 -8.71 { ca leu A 239 2g5fA_237F_248}P -5.995 0.557 -12.212 { ca ala A 246 2g5fA_237F_248}P -10.114 3.93 -12.431 { ca leu A 247 2g5fA_237F_248}P -9.633 4.328 -8.708 { ca tyr A 249 2g5fA_237F_248}P -12.524 3.241 -2.095 { ca ser A 250 2g5fA_237F_248}P -14.801 0.297 -1.354 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 237 2g5fA_237F_248}P -8.953 -0.869 -6.749 {"}P -8.953 -0.869 -6.749 { cd1 phe A 237 2g5fA_237F_248}P -10.075 0.353 -8.648 { cd2 phe A 237 2g5fA_237F_248}P -11.329 -0.038 -6.645 { ce1 phe A 237 2g5fA_237F_248}P -11.163 1.024 -9.21 { ce2 phe A 237 2g5fA_237F_248}P -12.425 0.628 -7.193 { cz phe A 237 2g5fA_237F_248}P -12.341 1.16 -8.478 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 237 2g5fA_237F_248}P -8.041 0.075 -5.953 { cb phe A 237 2g5fA_237F_248}-8.953 -0.869 -6.749 { cg phe A 237 2g5fA_237F_248}-10.148 -0.182 -7.365 { cd1 phe A 237 2g5fA_237F_248}-10.075 0.353 -8.648 { ce1 phe A 237 2g5fA_237F_248}-11.163 1.024 -9.21 { cz phe A 237 2g5fA_237F_248}-12.341 1.16 -8.478 { cg phe A 237 2g5fA_237F_248}P -10.148 -0.182 -7.365 { cd2 phe A 237 2g5fA_237F_248}-11.329 -0.038 -6.645 { ce2 phe A 237 2g5fA_237F_248}-12.425 0.628 -7.193 { cz phe A 237 2g5fA_237F_248}ghost -12.341 1.16 -8.478 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 237 2g5fA_237F_248}P -8.953 -0.869 -6.749 {"}P -8.953 -0.869 -6.749 { cd1 phe A 237 2g5fA_237F_248}P -10.075 0.353 -8.648 { cd2 phe A 237 2g5fA_237F_248}P -11.329 -0.038 -6.645 { ce1 phe A 237 2g5fA_237F_248}P -11.163 1.024 -9.21 { ce2 phe A 237 2g5fA_237F_248}P -12.425 0.628 -7.193 { cz phe A 237 2g5fA_237F_248}P -12.341 1.16 -8.478 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CZ PHE 237 A}'P' sky -13.023 2.474 -7.545 {"}'P' sky -12.277 2.635 -7.538 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 237 A}'P' green -12.813 2.333 -7.249 {"}'P' green -13.07 2.242 -6.992 {"}'P' green -12.045 2.324 -6.988 {"}'P' green -13.172 2.046 -6.491 {"}'P' green -13.107 1.942 -6.26 {"}'P' green -12.88 1.869 -6.047 {"}'P' green -12.628 1.932 -6.044 {"}'P' green -12.368 1.946 -6.043 { CZ PHE 237 A}'P' sea -12.785 2.57 -7.541 {"}'P' sea -12.534 2.624 -7.538 {"}'P' sea -13.032 2.292 -7.336 {"}'P' green -12.796 2.401 -7.332 {"}'P' green -12.544 2.464 -7.329 {"}'P' sea -12.284 2.478 -7.328 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 PHE 237 A}'P' P -12.821 2.32 -6.988 {"}'P' -12.811 2.277 -6.993 {"}'P' P -12.564 2.36 -6.986 {"}'P' -12.559 2.304 -6.993 {"}'P' P -12.303 2.361 -6.986 {"}'P' -12.305 2.338 -6.989 {"}'P' P -13.123 2.166 -6.736 {"}'P' -13.115 2.148 -6.742 {"}'P' P -12.877 2.255 -6.732 {"}'P' -12.853 2.169 -6.756 {"}'P' P -12.621 2.304 -6.73 {"}'P' -12.607 2.191 -6.761 {"}'P' P -12.36 2.314 -6.73 {"}'P' -12.363 2.226 -6.754 {"}'P' P -12.1 2.284 -6.731 {"}'P' -12.104 2.265 -6.736 {"}'P' P -12.936 2.145 -6.487 {"}'P' -12.912 2.074 -6.52 {"}'P' P -12.688 2.206 -6.484 {"}'P' -12.669 2.094 -6.534 {"}'P' P -12.433 2.228 -6.483 {"}'P' -12.433 2.124 -6.529 {"}'P' P -12.178 2.209 -6.484 {"}'P' -12.186 2.161 -6.505 {"}'P' P -12.869 2.038 -6.256 {"}'P' -12.856 1.997 -6.283 {"}'P' P -12.618 2.092 -6.253 {"}'P' -12.609 2.024 -6.296 {"}'P' P -12.361 2.103 -6.253 {"}'P' -12.363 2.054 -6.284 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 248 A}'P' sky -12.586 2.921 -7.393 {"}'P' blue -12.846 2.921 -7.393 {"}'P' sky -12.272 2.896 -7.308 {"}'P' sky -12.962 2.699 -7.316 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 248 A}'P' sea -12.455 2.707 -7.316 {"}'P' sea -12.708 2.635 -7.319 {"}'P' sea -12.157 2.667 -7.178 {"}'P' green -12.351 2.505 -7.185 {"}'P' green -12.589 2.418 -7.189 {"}'P' green -12.843 2.418 -7.189 {"}'P' green -12.111 2.443 -7.003 {"}'P' green -13.088 2.293 -7.009 {"}'P' green -13.204 2.077 -6.549 {"}'P' green -13.149 2.01 -6.291 {"}'P' green -12.454 1.975 -6.032 {"}'P' green -12.708 1.945 -6.034 {"}'P' green -12.962 1.972 -6.032 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 248 A}'P' P -12.328 2.3 -7.009 {"}'P' -12.339 2.322 -6.988 {"}'P' P -12.578 2.224 -7.012 {"}'P' -12.586 2.275 -6.968 {"}'P' P -12.838 2.222 -7.012 {"}'P' -12.833 2.257 -6.982 {"}'P' P -12.117 2.251 -6.789 {"}'P' -12.13 2.269 -6.778 {"}'P' P -12.342 2.133 -6.794 {"}'P' -12.373 2.212 -6.749 {"}'P' P -12.589 2.073 -6.797 {"}'P' -12.602 2.179 -6.739 {"}'P' P -12.843 2.073 -6.797 {"}'P' -12.832 2.158 -6.751 {"}'P' P -13.09 2.133 -6.794 {"}'P' -13.081 2.157 -6.781 {"}'P' P -12.214 2.084 -6.549 {"}'P' -12.245 2.146 -6.53 {"}'P' P -12.454 1.998 -6.553 {"}'P' -12.481 2.109 -6.521 {"}'P' P -12.708 1.968 -6.554 {"}'P' -12.709 2.083 -6.522 {"}'P' P -12.962 1.995 -6.553 {"}'P' -12.946 2.064 -6.533 {"}'P' P -12.168 2.063 -6.289 {"}'P' -12.176 2.078 -6.288 {"}'P' P -12.403 1.97 -6.293 {"}'P' -12.421 2.034 -6.29 {"}'P' P -12.653 1.929 -6.295 {"}'P' -12.657 2.005 -6.292 {"}'P' P -12.905 1.943 -6.294 {"}'P' -12.898 1.985 -6.292 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 237 A}'M' green -9.437 2.75 -7.033 {"}'M' green -9.344 2.988 -7.022 {"}'M' green -9.206 3.204 -7.013 {"}'M' green -9.537 2.348 -6.537 {"}'M' green -8.99 3.463 -6.489 {"}'M' green -9.391 2.453 -6.037 {"}'M' green -8.916 3.32 -6 {"}'M' green -9.193 2.707 -5.806 {"}'M' green -9.076 2.939 -5.796 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 237 A}'M' greentint -9.513 2.624 -6.784 {"}'M' greentint -9.443 2.871 -6.773 {"}'M' greentint -9.328 3.101 -6.763 {"}'M' greentint -9.173 3.306 -6.754 {"}'M' greentint -9.515 2.604 -6.526 {"}'M' greentint -9.446 2.852 -6.515 {"}'M' greentint -9.333 3.083 -6.505 {"}'M' greentint -9.179 3.289 -6.496 {"}'M' greentint -9.483 2.473 -6.278 {"}'M' greentint -9.435 2.724 -6.267 {"}'M' greentint -9.34 2.962 -6.256 {"}'M' greentint -9.201 3.177 -6.247 {"}'M' greentint -9.025 3.362 -6.239 {"}'M' greentint -9.341 2.702 -6.027 {"}'M' greentint -9.243 2.935 -6.016 {"}'M' greentint -9.099 3.144 -6.007 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 248 A}'M' green -9.311 3.074 -7.015 {"}'M' green -9.447 2.853 -7.024 {"}'M' green -9.004 3.287 -6.038 {"}'M' green -9.25 2.796 -5.818 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 248 A}'M' greentint -9.14 3.073 -6.807 {"}'M' greentint -9.25 2.839 -6.818 {"}'M' greentint -9.424 2.649 -6.826 {"}'M' greentint -9.104 3.328 -6.796 {"}'M' greentint -9.037 3.06 -6.566 {"}'M' greentint -9.133 2.827 -6.577 {"}'M' greentint -9.287 2.627 -6.585 {"}'M' greentint -9.487 2.474 -6.592 {"}'M' greentint -9.004 3.309 -6.556 {"}'M' greentint -8.999 3.057 -6.308 {"}'M' greentint -9.09 2.824 -6.318 {"}'M' greentint -9.236 2.62 -6.327 {"}'M' greentint -9.427 2.459 -6.334 {"}'M' greentint -8.97 3.306 -6.297 {"}'M' greentint -9.037 3.037 -6.049 {"}'M' greentint -9.133 2.804 -6.059 {"}'M' greentint -9.287 2.604 -6.068 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 237 A}'M' green -10.126 1.349 -4.494 {"}'M' green -9.855 1.459 -4.041 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 237 A}'M' greentint -9.997 1.854 -4.991 {"}'M' greentint -9.843 2.054 -4.982 {"}'M' greentint -9.643 2.207 -4.975 {"}'M' greentint -10.153 1.477 -4.748 {"}'M' greentint -10.093 1.72 -4.737 {"}'M' greentint -9.974 1.941 -4.728 {"}'M' greentint -9.804 2.125 -4.72 {"}'M' greentint -9.593 2.261 -4.714 {"}'M' greentint -10.093 1.598 -4.484 {"}'M' greentint -9.997 1.831 -4.473 {"}'M' greentint -9.843 2.031 -4.465 {"}'M' greentint -9.643 2.184 -4.458 {"}'M' greentint -9.41 2.281 -4.454 {"}'M' greentint -10.018 1.459 -4.248 {"}'M' greentint -9.944 1.706 -4.237 {"}'M' greentint -9.8 1.921 -4.228 {"}'M' greentint -9.6 2.083 -4.221 {"}'M' greentint -9.361 2.18 -4.217 {"}'M' greentint -9.761 1.701 -4.03 {"}'M' greentint -9.586 1.893 -4.022 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 248 A}'M' green -9.424 2.383 -4.75 {"}'M' green -10.217 1.461 -4.791 {"}'M' green -9.328 2.378 -4.51 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 248 A}'M' greentint -9.65 2.151 -4.98 {"}'M' greentint -9.791 1.934 -4.99 {"}'M' greentint -9.978 1.754 -4.998 {"}'M' greentint -9.5 2.141 -4.761 {"}'M' greentint -9.623 1.92 -4.771 {"}'M' greentint -9.789 1.728 -4.779 {"}'M' greentint -9.989 1.573 -4.786 {"}'M' greentint -9.399 2.132 -4.52 {"}'M' greentint -9.515 1.904 -4.53 {"}'M' greentint -9.672 1.702 -4.539 {"}'M' greentint -9.864 1.534 -4.546 {"}'M' greentint -10.085 1.404 -4.552 {"}'M' greentint -9.352 2.111 -4.267 {"}'M' greentint -9.467 1.88 -4.277 {"}'M' greentint -9.622 1.675 -4.286 {"}'M' greentint -9.812 1.502 -4.294 {"}'M' greentint -10.031 1.367 -4.299 {"}'M' greentint -9.462 1.876 -4.019 {"}'M' greentint -9.616 1.67 -4.028 {"}'M' greentint -9.805 1.496 -4.035 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n thr A 381 2gaiA_383F_396}P -11.807 -2.26 0.444 {"}-11.807 -2.26 0.444 { ca thr A 381 2gaiA_383F_396}-10.824 -2.482 -0.611 { c thr A 381 2gaiA_383F_396}-10.627 -1.145 -1.358 { o thr A 381 2gaiA_383F_396}-11.55 -0.584 -1.924 { c thr A 381 2gaiA_383F_396}P -10.627 -1.145 -1.358 { n arg A 382 2gaiA_383F_396}-9.42 -0.612 -1.297 { ca arg A 382 2gaiA_383F_396}-9.035 0.579 -2.026 { c arg A 382 2gaiA_383F_396}-8.185 0.084 -3.185 { o arg A 382 2gaiA_383F_396}-7.21 -0.683 -3.009 { c arg A 382 2gaiA_383F_396}P -8.185 0.084 -3.185 { n phe A 383 2gaiA_383F_396}-8.543 0.506 -4.388 { ca phe A 383 2gaiA_383F_396}-7.903 -0.023 -5.585 { c phe A 383 2gaiA_383F_396}-7.552 1.1 -6.55 { o phe A 383 2gaiA_383F_396}-8.202 2.171 -6.519 { c phe A 383 2gaiA_383F_396}P -7.552 1.1 -6.55 { n val A 384 2gaiA_383F_396}-6.558 0.769 -7.367 { ca val A 384 2gaiA_383F_396}-6.088 1.633 -8.434 { c val A 384 2gaiA_383F_396}-6.021 0.811 -9.694 { o val A 384 2gaiA_383F_396}-5.43 -0.277 -9.729 { c val A 384 2gaiA_383F_396}P -6.021 0.811 -9.694 { n leu A 385 2gaiA_383F_396}-6.572 1.369 -10.77 { ca leu A 385 2gaiA_383F_396}-6.565 0.752 -12.077 { c leu A 385 2gaiA_383F_396}-5.766 1.649 -12.993 { o leu A 385 2gaiA_383F_396}-5.777 2.85 -12.775 { n phe A 394 2gaiA_383F_396}P -7.059 5.345 -12.328 {"}-7.059 5.345 -12.328 { ca phe A 394 2gaiA_383F_396}-8.4 5.538 -11.798 { c phe A 394 2gaiA_383F_396}-8.413 4.894 -10.426 { o phe A 394 2gaiA_383F_396}-7.84 3.812 -10.285 { c phe A 394 2gaiA_383F_396}P -8.413 4.894 -10.426 { n lys A 395 2gaiA_383F_396}-9.01 5.563 -9.449 { ca lys A 395 2gaiA_383F_396}-8.983 5.11 -8.045 { c lys A 395 2gaiA_383F_396}-10.407 4.939 -7.564 { o lys A 395 2gaiA_383F_396}-11.311 5.712 -7.912 { c lys A 395 2gaiA_383F_396}P -10.407 4.939 -7.564 { n gly A 396 2gaiA_383F_396}-10.61 3.914 -6.735 { ca gly A 396 2gaiA_383F_396}-11.925 3.571 -6.263 { c gly A 396 2gaiA_383F_396}-11.78 2.855 -4.938 { o gly A 396 2gaiA_383F_396}-10.688 2.418 -4.544 { c gly A 396 2gaiA_383F_396}P -11.78 2.855 -4.938 { n thr A 397 2gaiA_383F_396}-12.914 2.78 -4.25 { ca thr A 397 2gaiA_383F_396}-13.009 2.005 -3.019 { c thr A 397 2gaiA_383F_396}-14.339 1.225 -3.028 { o thr A 397 2gaiA_383F_396}-15.34 1.669 -3.627 { c thr A 397 2gaiA_383F_396}P -14.339 1.225 -3.028 { n val A 398 2gaiA_383F_396}-14.351 0.069 -2.37 { ca val A 398 2gaiA_383F_396}-15.589 -0.66 -2.167 { c val A 398 2gaiA_383F_396}-15.564 -1.293 -0.792 { o val A 398 2gaiA_383F_396}-14.488 -1.653 -0.304 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n thr A 381 2gaiA_383F_396}P -11.807 -2.26 0.444 { ca thr A 381 2gaiA_383F_396}P -10.824 -2.482 -0.611 { n arg A 382 2gaiA_383F_396}P -9.42 -0.612 -1.297 { ca arg A 382 2gaiA_383F_396}P -9.035 0.579 -2.026 { n phe A 383 2gaiA_383F_396}P -8.543 0.506 -4.388 { ca phe A 383 2gaiA_383F_396}P -7.903 -0.023 -5.585 { n val A 384 2gaiA_383F_396}P -6.558 0.769 -7.367 { ca val A 384 2gaiA_383F_396}P -6.088 1.633 -8.434 { n leu A 385 2gaiA_383F_396}P -6.572 1.369 -10.77 { ca leu A 385 2gaiA_383F_396}P -6.565 0.752 -12.077 { n phe A 394 2gaiA_383F_396}P -7.059 5.345 -12.328 { ca phe A 394 2gaiA_383F_396}P -8.4 5.538 -11.798 { n lys A 395 2gaiA_383F_396}P -9.01 5.563 -9.449 { ca lys A 395 2gaiA_383F_396}P -8.983 5.11 -8.045 { n gly A 396 2gaiA_383F_396}P -10.61 3.914 -6.735 { ca gly A 396 2gaiA_383F_396}P -11.925 3.571 -6.263 {"}P -11.925 3.571 -6.263 { n thr A 397 2gaiA_383F_396}P -12.914 2.78 -4.25 { ca thr A 397 2gaiA_383F_396}P -13.009 2.005 -3.019 { n val A 398 2gaiA_383F_396}P -14.351 0.069 -2.37 { ca val A 398 2gaiA_383F_396}P -15.589 -0.66 -2.167 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca thr A 381 2gaiA_383F_396}P -10.824 -2.482 -0.611 {"}-10.824 -2.482 -0.611 { ca arg A 382 2gaiA_383F_396}-9.035 0.579 -2.026 { ca phe A 383 2gaiA_383F_396}-7.903 -0.023 -5.585 { ca val A 384 2gaiA_383F_396}-6.088 1.633 -8.434 { ca leu A 385 2gaiA_383F_396}-6.565 0.752 -12.077 { ca phe A 394 2gaiA_383F_396}P -8.4 5.538 -11.798 {"}-8.4 5.538 -11.798 { ca lys A 395 2gaiA_383F_396}-8.983 5.11 -8.045 { ca gly A 396 2gaiA_383F_396}-11.925 3.571 -6.263 { ca thr A 397 2gaiA_383F_396}-13.009 2.005 -3.019 { ca val A 398 2gaiA_383F_396}-15.589 -0.66 -2.167 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca thr A 381 2gaiA_383F_396}P -10.824 -2.482 -0.611 { ca arg A 382 2gaiA_383F_396}P -9.035 0.579 -2.026 { ca phe A 383 2gaiA_383F_396}P -7.903 -0.023 -5.585 { cb phe A 383 2gaiA_383F_396}-8.765 -1.08 -6.314 { cg phe A 383 2gaiA_383F_396}-10.157 -0.606 -6.674 { cd1 phe A 383 2gaiA_383F_396}-10.4 0.016 -7.89 { ce1 phe A 383 2gaiA_383F_396}-11.704 0.446 -8.184 { cz phe A 383 2gaiA_383F_396}-12.734 0.256 -7.289 { cg phe A 383 2gaiA_383F_396}P -10.157 -0.606 -6.674 { cd2 phe A 383 2gaiA_383F_396}-11.221 -0.785 -5.777 { ce2 phe A 383 2gaiA_383F_396}-12.509 -0.356 -6.068 { cz phe A 383 2gaiA_383F_396}ghost -12.734 0.256 -7.289 { ca val A 384 2gaiA_383F_396}P -6.088 1.633 -8.434 { ca leu A 385 2gaiA_383F_396}P -6.565 0.752 -12.077 { ca phe A 394 2gaiA_383F_396}P -8.4 5.538 -11.798 { ca lys A 395 2gaiA_383F_396}P -8.983 5.11 -8.045 { ca thr A 397 2gaiA_383F_396}P -13.009 2.005 -3.019 {"}P -13.009 2.005 -3.019 { ca val A 398 2gaiA_383F_396}P -15.589 -0.66 -2.167 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 383 2gaiA_383F_396}P -8.765 -1.08 -6.314 {"}P -8.765 -1.08 -6.314 { cd1 phe A 383 2gaiA_383F_396}P -10.4 0.016 -7.89 { cd2 phe A 383 2gaiA_383F_396}P -11.221 -0.785 -5.777 { ce1 phe A 383 2gaiA_383F_396}P -11.704 0.446 -8.184 { ce2 phe A 383 2gaiA_383F_396}P -12.509 -0.356 -6.068 { cz phe A 383 2gaiA_383F_396}P -12.734 0.256 -7.289 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 383 2gaiA_383F_396}P -7.903 -0.023 -5.585 { cb phe A 383 2gaiA_383F_396}-8.765 -1.08 -6.314 { cg phe A 383 2gaiA_383F_396}-10.157 -0.606 -6.674 { cd1 phe A 383 2gaiA_383F_396}-10.4 0.016 -7.89 { ce1 phe A 383 2gaiA_383F_396}-11.704 0.446 -8.184 { cz phe A 383 2gaiA_383F_396}-12.734 0.256 -7.289 { cg phe A 383 2gaiA_383F_396}P -10.157 -0.606 -6.674 { cd2 phe A 383 2gaiA_383F_396}-11.221 -0.785 -5.777 { ce2 phe A 383 2gaiA_383F_396}-12.509 -0.356 -6.068 { cz phe A 383 2gaiA_383F_396}ghost -12.734 0.256 -7.289 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 383 2gaiA_383F_396}P -8.765 -1.08 -6.314 {"}P -8.765 -1.08 -6.314 { cd1 phe A 383 2gaiA_383F_396}P -10.4 0.016 -7.89 { cd2 phe A 383 2gaiA_383F_396}P -11.221 -0.785 -5.777 { ce1 phe A 383 2gaiA_383F_396}P -11.704 0.446 -8.184 { ce2 phe A 383 2gaiA_383F_396}P -12.509 -0.356 -6.068 { cz phe A 383 2gaiA_383F_396}P -12.734 0.256 -7.289 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 383 A}'P' sea -12.584 1.946 -7.988 {"}'P' green -12.349 2.06 -7.983 {"}'P' green -12.1 2.138 -7.979 {"}'P' sea -11.843 2.178 -7.977 {"}'P' green -12.402 1.984 -7.727 {"}'P' green -11.9 2.122 -7.721 {"}'P' sea -11.639 2.132 -7.721 {"}'P' green -11.712 2.046 -7.474 {"}'P' sea -11.457 2.027 -7.475 {"}'P' green -11.897 1.91 -7.244 {"}'P' green -11.64 1.921 -7.244 { CZ PHE 383 A}'P' green -12.938 1.965 -7.604 {"}'P' green -13.122 1.961 -7.345 {"}'P' green -13.13 1.948 -7.084 {"}'P' green -13.186 1.883 -6.828 {"}'P' green -11.919 1.736 -6.835 {"}'P' green -12.997 1.834 -6.58 {"}'P' green -12.742 1.856 -6.579 {"}'P' green -12.238 1.778 -6.583 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 PHE 383 A}'P' P -12.156 2.073 -7.723 {"}'P' -12.155 2.067 -7.725 {"}'P' P -12.215 1.963 -7.478 {"}'P' -12.205 1.934 -7.492 {"}'P' P -11.967 2.024 -7.475 {"}'P' -11.964 2.005 -7.484 { CZ PHE 383 A}'P' P -12.677 1.977 -7.604 {"}'P' -12.677 1.969 -7.602 {"}'P' P -12.417 1.948 -7.605 {"}'P' -12.419 1.941 -7.604 {"}'P' P -12.864 2 -7.344 {"}'P' -12.861 1.955 -7.342 {"}'P' P -12.604 2 -7.344 {"}'P' -12.61 1.918 -7.341 {"}'P' P -12.346 1.961 -7.345 {"}'P' -12.361 1.894 -7.343 {"}'P' P -12.873 1.988 -7.082 {"}'P' -12.867 1.923 -7.09 {"}'P' P -12.612 1.989 -7.082 {"}'P' -12.619 1.884 -7.095 {"}'P' P -12.354 1.952 -7.084 {"}'P' -12.374 1.861 -7.095 {"}'P' P -12.104 1.876 -7.087 {"}'P' -12.116 1.847 -7.091 {"}'P' P -12.93 1.932 -6.826 {"}'P' -12.927 1.909 -6.832 {"}'P' P -12.669 1.942 -6.826 {"}'P' -12.671 1.872 -6.845 {"}'P' P -12.409 1.912 -6.827 {"}'P' -12.422 1.845 -6.846 {"}'P' P -12.157 1.843 -6.83 {"}'P' -12.164 1.826 -6.835 {"}'P' P -12.487 1.837 -6.58 {"}'P' -12.487 1.835 -6.581 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 396 A}'P' sky -12.565 2.249 -7.938 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 396 A}'P' sea -12.073 2.336 -7.934 {"}'P' sea -12.311 2.249 -7.938 {"}'P' green -11.833 2.274 -7.752 {"}'P' green -12.05 2.131 -7.758 {"}'P' green -12.3 2.055 -7.761 {"}'P' green -12.56 2.053 -7.761 {"}'P' sea -11.649 2.251 -7.531 {"}'P' green -11.839 2.082 -7.538 {"}'P' green -13.037 2.082 -7.538 {"}'P' green -11.72 2.052 -7.292 {"}'P' green -13.143 2.042 -7.292 {"}'P' green -11.89 1.894 -7.038 {"}'P' green -13.095 1.96 -7.035 {"}'P' green -11.936 1.892 -6.778 {"}'P' green -13.143 2.02 -6.772 {"}'P' green -12.311 1.859 -6.531 {"}'P' green -12.565 1.859 -6.531 {"}'P' green -12.812 1.92 -6.529 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 396 A}'P' P -12.064 1.964 -7.543 {"}'P' -12.074 1.99 -7.528 {"}'P' P -12.311 1.904 -7.546 {"}'P' -12.313 1.924 -7.535 {"}'P' P -12.565 1.904 -7.546 {"}'P' -12.561 1.936 -7.528 {"}'P' P -12.812 1.964 -7.543 {"}'P' -12.808 1.973 -7.538 {"}'P' P -11.936 1.915 -7.298 {"}'P' -11.94 1.923 -7.295 {"}'P' P -12.176 1.829 -7.302 {"}'P' -12.185 1.867 -7.291 {"}'P' P -12.43 1.799 -7.303 {"}'P' -12.43 1.884 -7.279 {"}'P' P -12.684 1.826 -7.302 {"}'P' -12.665 1.91 -7.278 {"}'P' P -12.926 1.908 -7.298 {"}'P' -12.907 1.946 -7.287 {"}'P' P -12.125 1.801 -7.042 {"}'P' -12.135 1.835 -7.041 {"}'P' P -12.375 1.76 -7.044 {"}'P' -12.38 1.852 -7.04 {"}'P' P -12.627 1.774 -7.043 {"}'P' -12.61 1.877 -7.039 {"}'P' P -12.871 1.841 -7.04 {"}'P' -12.845 1.906 -7.038 {"}'P' P -12.176 1.806 -6.781 {"}'P' -12.179 1.819 -6.784 {"}'P' P -12.43 1.776 -6.783 {"}'P' -12.43 1.835 -6.793 {"}'P' P -12.684 1.803 -6.781 {"}'P' -12.671 1.861 -6.792 {"}'P' P -12.926 1.885 -6.778 {"}'P' -12.919 1.899 -6.781 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 383 A}'M' green -8.831 3.408 -6.336 {"}'M' green -8.875 3.319 -6.085 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 383 A}'M' greentint -9.496 2.559 -6.886 {"}'M' greentint -9.403 2.797 -6.875 {"}'M' greentint -9.265 3.013 -6.866 {"}'M' greentint -9.09 3.199 -6.858 {"}'M' greentint -9.572 2.433 -6.637 {"}'M' greentint -9.502 2.68 -6.626 {"}'M' greentint -9.387 2.91 -6.616 {"}'M' greentint -9.232 3.115 -6.607 {"}'M' greentint -9.042 3.288 -6.6 {"}'M' greentint -9.574 2.413 -6.379 {"}'M' greentint -9.505 2.661 -6.368 {"}'M' greentint -9.392 2.892 -6.358 {"}'M' greentint -9.238 3.098 -6.349 {"}'M' greentint -9.049 3.272 -6.342 {"}'M' greentint -9.494 2.533 -6.12 {"}'M' greentint -9.399 2.771 -6.109 {"}'M' greentint -9.26 2.986 -6.1 {"}'M' greentint -9.084 3.171 -6.092 {"}'M' greentint -9.302 2.744 -5.869 {"}'M' greentint -9.158 2.953 -5.86 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 396 A}'M' green -8.915 3.312 -6.13 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 396 A}'M' greentint -9.051 3.098 -6.899 {"}'M' greentint -9.161 2.864 -6.91 {"}'M' greentint -9.335 2.674 -6.918 {"}'M' greentint -8.948 3.085 -6.658 {"}'M' greentint -9.044 2.852 -6.669 {"}'M' greentint -9.198 2.652 -6.677 {"}'M' greentint -9.398 2.499 -6.684 {"}'M' greentint -8.915 3.334 -6.648 {"}'M' greentint -8.91 3.082 -6.4 {"}'M' greentint -9.001 2.849 -6.41 {"}'M' greentint -9.147 2.645 -6.419 {"}'M' greentint -9.338 2.484 -6.426 {"}'M' greentint -9.564 2.375 -6.43 {"}'M' greentint -8.881 3.331 -6.389 {"}'M' greentint -8.948 3.062 -6.141 {"}'M' greentint -9.044 2.829 -6.151 {"}'M' greentint -9.198 2.629 -6.16 {"}'M' greentint -9.398 2.476 -6.167 {"}'M' greentint -9.051 3.054 -5.9 {"}'M' greentint -9.161 2.821 -5.91 {"}'M' greentint -9.335 2.63 -5.919 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 383 A}'M' greentint -9.852 1.595 -5.249 {"}'M' greentint -9.677 1.787 -5.241 {"}'M' greentint -10.109 1.335 -5.053 {"}'M' greentint -10.035 1.582 -5.042 {"}'M' greentint -9.891 1.796 -5.033 {"}'M' greentint -9.691 1.959 -5.026 {"}'M' greentint -9.452 2.055 -5.022 {"}'M' greentint -10.217 1.203 -4.818 {"}'M' greentint -10.184 1.453 -4.807 {"}'M' greentint -10.088 1.686 -4.797 {"}'M' greentint -9.934 1.886 -4.788 {"}'M' greentint -9.734 2.039 -4.781 {"}'M' greentint -9.501 2.135 -4.777 {"}'M' greentint -10.244 1.309 -4.554 {"}'M' greentint -10.184 1.552 -4.543 {"}'M' greentint -10.065 1.773 -4.534 {"}'M' greentint -9.895 1.957 -4.526 {"}'M' greentint -9.684 2.093 -4.52 {"}'M' greentint -9.446 2.172 -4.516 {"}'M' greentint -10.217 1.181 -4.3 {"}'M' greentint -10.184 1.43 -4.29 {"}'M' greentint -10.088 1.663 -4.279 {"}'M' greentint -9.934 1.863 -4.271 {"}'M' greentint -9.734 2.016 -4.264 {"}'M' greentint -9.501 2.113 -4.26 {"}'M' greentint -10.109 1.291 -4.054 {"}'M' greentint -10.035 1.538 -4.043 {"}'M' greentint -9.891 1.753 -4.034 {"}'M' greentint -9.691 1.915 -4.027 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 396 A}'M' greentint -9.659 1.73 -5.199 {"}'M' greentint -9.825 1.538 -5.207 {"}'M' greentint -9.435 1.942 -4.948 {"}'M' greentint -9.551 1.714 -4.958 {"}'M' greentint -9.708 1.512 -4.967 {"}'M' greentint -9.9 1.344 -4.974 {"}'M' greentint -10.121 1.214 -4.98 {"}'M' greentint -9.318 2.168 -4.684 {"}'M' greentint -9.388 1.921 -4.695 {"}'M' greentint -9.503 1.69 -4.705 {"}'M' greentint -9.658 1.485 -4.714 {"}'M' greentint -9.848 1.312 -4.722 {"}'M' greentint -10.067 1.177 -4.727 {"}'M' greentint -9.316 2.165 -4.426 {"}'M' greentint -9.385 1.917 -4.437 {"}'M' greentint -9.498 1.686 -4.447 {"}'M' greentint -9.652 1.48 -4.456 {"}'M' greentint -9.841 1.306 -4.463 {"}'M' greentint -10.059 1.169 -4.469 {"}'M' greentint -9.438 1.901 -4.183 {"}'M' greentint -9.555 1.674 -4.193 {"}'M' greentint -9.713 1.473 -4.202 {"}'M' greentint -9.907 1.305 -4.209 {"}'M' greentint -10.129 1.178 -4.215 {"}'M' greentint -9.533 1.904 -3.942 {"}'M' greentint -9.655 1.682 -3.951 {"}'M' greentint -9.819 1.489 -3.96 {"}'M' greentint -10.018 1.333 -3.967 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ser A 215 2gufA_217F_253}P -11.771 -1.877 1.206 {"}-11.771 -1.877 1.206 { ca ser A 215 2gufA_217F_253}-10.843 -2.165 0.128 { c ser A 215 2gufA_217F_253}-10.674 -0.959 -0.781 { o ser A 215 2gufA_217F_253}-11.513 -0.037 -0.795 { c ser A 215 2gufA_217F_253}P -10.674 -0.959 -0.781 { n gly A 216 2gufA_217F_253}-9.579 -0.952 -1.536 { ca gly A 216 2gufA_217F_253}-9.346 0.138 -2.489 { c gly A 216 2gufA_217F_253}-8.695 -0.433 -3.717 { o gly A 216 2gufA_217F_253}-8.136 -1.539 -3.68 { c gly A 216 2gufA_217F_253}P -8.695 -0.433 -3.717 { n phe A 217 2gufA_217F_253}-8.734 0.319 -4.811 { ca phe A 217 2gufA_217F_253}-8.018 -0.094 -6.011 { c phe A 217 2gufA_217F_253}-7.608 1.113 -6.8 { o phe A 217 2gufA_217F_253}-8.25 2.17 -6.708 { c phe A 217 2gufA_217F_253}P -7.608 1.113 -6.8 { n val A 218 2gufA_217F_253}-6.517 0.95 -7.544 { ca val A 218 2gufA_217F_253}-6.086 1.896 -8.578 { c val A 218 2gufA_217F_253}-5.802 1.079 -9.816 { o val A 218 2gufA_217F_253}-5.156 0.043 -9.727 { c val A 218 2gufA_217F_253}P -5.802 1.079 -9.816 { n arg A 219 2gufA_217F_253}-6.316 1.532 -10.958 { ca arg A 219 2gufA_217F_253}-6.199 0.806 -12.199 { c arg A 219 2gufA_217F_253}-5.879 1.842 -13.227 { o arg A 219 2gufA_217F_253}-6.48 2.927 -13.251 { n asp A 251 2gufA_217F_253}P -8.471 4.804 -12.912 {"}-8.471 4.804 -12.912 { ca asp A 251 2gufA_217F_253}-9.64 4.682 -12.034 { c asp A 251 2gufA_217F_253}-9.068 4.417 -10.672 { o asp A 251 2gufA_217F_253}-8.003 3.77 -10.552 { c asp A 251 2gufA_217F_253}P -9.068 4.417 -10.672 { n ala A 252 2gufA_217F_253}-9.735 4.933 -9.646 { ca ala A 252 2gufA_217F_253}-9.318 4.71 -8.261 { c ala A 252 2gufA_217F_253}-10.583 4.552 -7.506 { o ala A 252 2gufA_217F_253}-11.591 5.212 -7.811 { c ala A 252 2gufA_217F_253}P -10.583 4.552 -7.506 { n gly A 253 2gufA_217F_253}-10.584 3.697 -6.509 { ca gly A 253 2gufA_217F_253}-11.849 3.448 -5.847 { c gly A 253 2gufA_217F_253}-11.69 2.973 -4.432 { o gly A 253 2gufA_217F_253}-10.654 2.425 -4.072 { c gly A 253 2gufA_217F_253}P -11.69 2.973 -4.432 { n leu A 254 2gufA_217F_253}-12.723 3.192 -3.631 { ca leu A 254 2gufA_217F_253}-12.748 2.702 -2.252 { c leu A 254 2gufA_217F_253}-14.01 1.953 -2.094 { o leu A 254 2gufA_217F_253}-15.047 2.364 -2.627 { c leu A 254 2gufA_217F_253}P -14.01 1.953 -2.094 { n arg A 255 2gufA_217F_253}-13.97 0.85 -1.37 { ca arg A 255 2gufA_217F_253}-15.178 0.062 -1.223 { c arg A 255 2gufA_217F_253}-15.278 -0.41 0.188 { o arg A 255 2gufA_217F_253}-14.274 -0.788 0.815 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ser A 215 2gufA_217F_253}P -11.771 -1.877 1.206 { ca ser A 215 2gufA_217F_253}P -10.843 -2.165 0.128 { n gly A 216 2gufA_217F_253}P -9.579 -0.952 -1.536 { ca gly A 216 2gufA_217F_253}P -9.346 0.138 -2.489 {"}P -9.346 0.138 -2.489 { n phe A 217 2gufA_217F_253}P -8.734 0.319 -4.811 { ca phe A 217 2gufA_217F_253}P -8.018 -0.094 -6.011 { n val A 218 2gufA_217F_253}P -6.517 0.95 -7.544 { ca val A 218 2gufA_217F_253}P -6.086 1.896 -8.578 { n arg A 219 2gufA_217F_253}P -6.316 1.532 -10.958 { ca arg A 219 2gufA_217F_253}P -6.199 0.806 -12.199 { n asp A 251 2gufA_217F_253}P -8.471 4.804 -12.912 { ca asp A 251 2gufA_217F_253}P -9.64 4.682 -12.034 { n ala A 252 2gufA_217F_253}P -9.735 4.933 -9.646 { ca ala A 252 2gufA_217F_253}P -9.318 4.71 -8.261 { n gly A 253 2gufA_217F_253}P -10.584 3.697 -6.509 { ca gly A 253 2gufA_217F_253}P -11.849 3.448 -5.847 {"}P -11.849 3.448 -5.847 { n leu A 254 2gufA_217F_253}P -12.723 3.192 -3.631 { ca leu A 254 2gufA_217F_253}P -12.748 2.702 -2.252 { n arg A 255 2gufA_217F_253}P -13.97 0.85 -1.37 { ca arg A 255 2gufA_217F_253}P -15.178 0.062 -1.223 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ser A 215 2gufA_217F_253}P -10.843 -2.165 0.128 {"}-10.843 -2.165 0.128 { ca gly A 216 2gufA_217F_253}-9.346 0.138 -2.489 { ca phe A 217 2gufA_217F_253}-8.018 -0.094 -6.011 { ca val A 218 2gufA_217F_253}-6.086 1.896 -8.578 { ca arg A 219 2gufA_217F_253}-6.199 0.806 -12.199 { ca asp A 251 2gufA_217F_253}P -9.64 4.682 -12.034 {"}-9.64 4.682 -12.034 { ca ala A 252 2gufA_217F_253}-9.318 4.71 -8.261 { ca gly A 253 2gufA_217F_253}-11.849 3.448 -5.847 { ca leu A 254 2gufA_217F_253}-12.748 2.702 -2.252 { ca arg A 255 2gufA_217F_253}-15.178 0.062 -1.223 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ser A 215 2gufA_217F_253}P -10.843 -2.165 0.128 { ca phe A 217 2gufA_217F_253}P -8.018 -0.094 -6.011 { cb phe A 217 2gufA_217F_253}-8.903 -1.01 -6.86 { cg phe A 217 2gufA_217F_253}-10.034 -0.301 -7.489 { cd1 phe A 217 2gufA_217F_253}-9.817 0.503 -8.605 { ce1 phe A 217 2gufA_217F_253}-10.836 1.223 -9.187 { cz phe A 217 2gufA_217F_253}-12.092 1.132 -8.66 { cg phe A 217 2gufA_217F_253}P -10.034 -0.301 -7.489 { cd2 phe A 217 2gufA_217F_253}-11.294 -0.376 -6.95 { ce2 phe A 217 2gufA_217F_253}-12.325 0.33 -7.537 { cz phe A 217 2gufA_217F_253}ghost -12.092 1.132 -8.66 { ca val A 218 2gufA_217F_253}P -6.086 1.896 -8.578 { ca arg A 219 2gufA_217F_253}P -6.199 0.806 -12.199 {"}P -6.199 0.806 -12.199 { ca asp A 251 2gufA_217F_253}P -9.64 4.682 -12.034 { ca ala A 252 2gufA_217F_253}P -9.318 4.71 -8.261 { ca leu A 254 2gufA_217F_253}P -12.748 2.702 -2.252 { ca arg A 255 2gufA_217F_253}P -15.178 0.062 -1.223 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 217 2gufA_217F_253}P -8.903 -1.01 -6.86 {"}P -8.903 -1.01 -6.86 { cd1 phe A 217 2gufA_217F_253}P -9.817 0.503 -8.605 { cd2 phe A 217 2gufA_217F_253}P -11.294 -0.376 -6.95 { ce1 phe A 217 2gufA_217F_253}P -10.836 1.223 -9.187 { ce2 phe A 217 2gufA_217F_253}P -12.325 0.33 -7.537 { cz phe A 217 2gufA_217F_253}P -12.092 1.132 -8.66 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 217 2gufA_217F_253}P -8.018 -0.094 -6.011 { cb phe A 217 2gufA_217F_253}-8.903 -1.01 -6.86 { cg phe A 217 2gufA_217F_253}-10.034 -0.301 -7.489 { cd1 phe A 217 2gufA_217F_253}-9.817 0.503 -8.605 { ce1 phe A 217 2gufA_217F_253}-10.836 1.223 -9.187 { cz phe A 217 2gufA_217F_253}-12.092 1.132 -8.66 { cg phe A 217 2gufA_217F_253}P -10.034 -0.301 -7.489 { cd2 phe A 217 2gufA_217F_253}-11.294 -0.376 -6.95 { ce2 phe A 217 2gufA_217F_253}-12.325 0.33 -7.537 { cz phe A 217 2gufA_217F_253}ghost -12.092 1.132 -8.66 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 217 2gufA_217F_253}P -8.903 -1.01 -6.86 {"}P -8.903 -1.01 -6.86 { cd1 phe A 217 2gufA_217F_253}P -9.817 0.503 -8.605 { cd2 phe A 217 2gufA_217F_253}P -11.294 -0.376 -6.95 { ce1 phe A 217 2gufA_217F_253}P -10.836 1.223 -9.187 { ce2 phe A 217 2gufA_217F_253}P -12.325 0.33 -7.537 { cz phe A 217 2gufA_217F_253}P -12.092 1.132 -8.66 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 217 A}'P' green -13.023 1.868 -7.08 {"}'P' green -11.748 1.917 -7.078 {"}'P' green -13.072 1.748 -6.835 {"}'P' green -13.007 1.644 -6.604 {"}'P' green -11.76 1.697 -6.601 {"}'P' green -12.78 1.571 -6.391 {"}'P' green -12.518 1.448 -6.204 {"}'P' green -12.261 1.461 -6.204 { CZ PHE 217 A}'P' sea -12.774 2.446 -7.727 {"}'P' green -12.536 2.542 -7.723 {"}'P' green -12.285 2.596 -7.72 {"}'P' sea -12.028 2.607 -7.72 {"}'P' sea -12.994 2.112 -7.525 {"}'P' green -12.783 2.264 -7.518 {"}'P' green -12.035 2.45 -7.51 {"}'P' green -11.777 2.415 -7.512 {"}'P' green -11.774 2.222 -7.328 {"}'P' sea -11.534 2.127 -7.333 {"}'P' sea -11.606 1.926 -7.178 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 PHE 217 A}'P' P -12.777 1.957 -7.076 {"}'P' -12.762 1.903 -7.091 {"}'P' P -12.521 2.006 -7.074 {"}'P' -12.509 1.905 -7.102 {"}'P' P -12.26 2.016 -7.074 {"}'P' -12.264 1.914 -7.102 {"}'P' P -12 1.986 -7.075 {"}'P' -12.011 1.931 -7.09 {"}'P' P -12.836 1.847 -6.831 {"}'P' -12.816 1.789 -6.858 {"}'P' P -12.588 1.908 -6.828 {"}'P' -12.568 1.789 -6.882 {"}'P' P -12.333 1.93 -6.827 {"}'P' -12.332 1.794 -6.887 {"}'P' P -12.078 1.911 -6.828 {"}'P' -12.094 1.811 -6.873 {"}'P' P -11.829 1.852 -6.831 {"}'P' -11.838 1.825 -6.843 {"}'P' P -12.769 1.74 -6.6 {"}'P' -12.752 1.686 -6.635 {"}'P' P -12.518 1.794 -6.597 {"}'P' -12.504 1.692 -6.663 {"}'P' P -12.261 1.805 -6.597 {"}'P' -12.265 1.701 -6.663 {"}'P' P -12.006 1.772 -6.598 {"}'P' -12.019 1.713 -6.637 {"}'P' P -12.528 1.634 -6.388 {"}'P' -12.522 1.597 -6.421 {"}'P' P -12.268 1.648 -6.387 {"}'P' -12.27 1.606 -6.424 {"}'P' P -12.01 1.613 -6.389 {"}'P' -12.012 1.608 -6.393 { CZ PHE 217 A}'P' P -12.547 2.373 -7.514 {"}'P' -12.545 2.366 -7.52 {"}'P' P -12.295 2.436 -7.511 {"}'P' -12.293 2.421 -7.524 {"}'P' P -12.76 2.06 -7.335 {"}'P' -12.76 2.06 -7.336 {"}'P' P -12.533 2.181 -7.33 {"}'P' -12.518 2.146 -7.374 {"}'P' P -12.285 2.25 -7.327 {"}'P' -12.276 2.202 -7.384 {"}'P' P -12.028 2.263 -7.327 {"}'P' -12.029 2.234 -7.361 {"}'P' P -12.1 2.054 -7.172 {"}'P' -12.1 2.02 -7.228 {"}'P' P -11.845 2.022 -7.174 {"}'P' -11.845 2.02 -7.177 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 253 A}'P' green -12.284 2.522 -7.567 {"}'P' green -12.544 2.522 -7.567 {"}'P' sea -12.154 2.747 -7.558 {"}'P' green -11.97 2.497 -7.482 {"}'P' sea -12.849 2.482 -7.483 {"}'P' sea -11.729 2.488 -7.343 {"}'P' green -12.779 2.106 -7.359 {"}'P' sea -12.973 2.268 -7.352 {"}'P' sea -11.64 2.242 -7.168 {"}'P' green -11.809 2.044 -7.177 {"}'P' green -13.013 1.852 -6.963 {"}'P' green -11.696 1.822 -6.717 {"}'P' green -11.866 1.664 -6.463 {"}'P' green -12.152 1.576 -6.206 {"}'P' green -12.406 1.546 -6.208 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 253 A}'P' P -12.153 2.308 -7.49 {"}'P' -12.163 2.323 -7.449 {"}'P' P -12.406 2.236 -7.493 {"}'P' -12.406 2.258 -7.441 {"}'P' P -12.66 2.3 -7.49 {"}'P' -12.66 2.3 -7.489 {"}'P' P -11.855 2.268 -7.352 {"}'P' -11.856 2.269 -7.352 {"}'P' P -12.049 2.106 -7.359 {"}'P' -12.069 2.137 -7.309 {"}'P' P -12.287 2.019 -7.363 {"}'P' -12.296 2.067 -7.296 {"}'P' P -12.541 2.019 -7.363 {"}'P' -12.534 2.053 -7.316 {"}'P' P -12.026 1.901 -7.183 {"}'P' -12.045 1.939 -7.146 {"}'P' P -12.276 1.825 -7.186 {"}'P' -12.288 1.905 -7.116 {"}'P' P -12.536 1.823 -7.186 {"}'P' -12.525 1.898 -7.12 {"}'P' P -12.786 1.894 -7.183 {"}'P' -12.773 1.922 -7.157 {"}'P' P -11.815 1.852 -6.963 {"}'P' -11.827 1.869 -6.953 {"}'P' P -12.04 1.734 -6.968 {"}'P' -12.073 1.82 -6.919 {"}'P' P -12.287 1.674 -6.971 {"}'P' -12.303 1.801 -6.902 {"}'P' P -12.541 1.674 -6.971 {"}'P' -12.526 1.794 -6.906 {"}'P' P -12.788 1.734 -6.968 {"}'P' -12.761 1.803 -6.929 {"}'P' P -11.912 1.685 -6.723 {"}'P' -11.937 1.735 -6.708 {"}'P' P -12.152 1.599 -6.727 {"}'P' -12.178 1.709 -6.696 {"}'P' P -12.406 1.569 -6.728 {"}'P' -12.407 1.698 -6.692 {"}'P' P -12.66 1.596 -6.727 {"}'P' -12.638 1.695 -6.699 {"}'P' P -12.902 1.678 -6.723 {"}'P' -12.886 1.71 -6.714 {"}'P' P -12.101 1.571 -6.467 {"}'P' -12.114 1.617 -6.465 {"}'P' P -12.351 1.53 -6.469 {"}'P' -12.355 1.601 -6.466 {"}'P' P -12.603 1.544 -6.468 {"}'P' -12.594 1.597 -6.466 {"}'P' P -12.847 1.611 -6.465 {"}'P' -12.847 1.611 -6.465 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 217 A}'M' greentint -9.55 2.679 -6.815 {"}'M' greentint -9.435 2.909 -6.805 {"}'M' greentint -9.28 3.114 -6.796 {"}'M' greentint -9.09 3.287 -6.789 {"}'M' greentint -9.622 2.412 -6.568 {"}'M' greentint -9.553 2.66 -6.557 {"}'M' greentint -9.44 2.891 -6.547 {"}'M' greentint -9.286 3.097 -6.538 {"}'M' greentint -9.097 3.271 -6.531 {"}'M' greentint -9.59 2.281 -6.32 {"}'M' greentint -9.542 2.532 -6.309 {"}'M' greentint -9.447 2.77 -6.298 {"}'M' greentint -9.308 2.985 -6.289 {"}'M' greentint -9.132 3.17 -6.281 {"}'M' greentint -8.923 3.318 -6.274 {"}'M' greentint -9.498 2.261 -6.079 {"}'M' greentint -9.448 2.51 -6.069 {"}'M' greentint -9.35 2.743 -6.058 {"}'M' greentint -9.206 2.952 -6.049 {"}'M' greentint -9.023 3.128 -6.042 {"}'M' greentint -8.809 3.263 -6.036 {"}'M' greentint -9.3 2.515 -5.848 {"}'M' greentint -9.183 2.747 -5.838 {"}'M' greentint -9.017 2.945 -5.83 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 253 A}'M' greentint -9.133 2.973 -6.877 {"}'M' greentint -9.269 2.752 -6.886 {"}'M' greentint -9.477 2.595 -6.893 {"}'M' greentint -9.085 3.228 -6.865 {"}'M' greentint -8.962 2.972 -6.669 {"}'M' greentint -9.072 2.738 -6.68 {"}'M' greentint -9.246 2.548 -6.688 {"}'M' greentint -9.468 2.416 -6.694 {"}'M' greentint -8.926 3.227 -6.658 {"}'M' greentint -8.859 2.959 -6.428 {"}'M' greentint -8.955 2.726 -6.439 {"}'M' greentint -9.109 2.526 -6.447 {"}'M' greentint -9.309 2.373 -6.454 {"}'M' greentint -9.542 2.276 -6.458 {"}'M' greentint -8.826 3.208 -6.418 {"}'M' greentint -8.821 2.956 -6.17 {"}'M' greentint -8.912 2.723 -6.18 {"}'M' greentint -9.058 2.519 -6.189 {"}'M' greentint -9.249 2.358 -6.196 {"}'M' greentint -9.475 2.249 -6.2 {"}'M' greentint -8.792 3.205 -6.159 {"}'M' greentint -8.859 2.936 -5.911 {"}'M' greentint -8.955 2.703 -5.921 {"}'M' greentint -9.109 2.503 -5.93 {"}'M' greentint -9.309 2.35 -5.937 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 217 A}'M' green -10.069 1.677 -5.128 {"}'M' green -9.669 1.388 -4.014 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 217 A}'M' greentint -9.915 1.877 -5.119 {"}'M' greentint -10.165 1.543 -4.874 {"}'M' greentint -10.046 1.764 -4.865 {"}'M' greentint -9.876 1.948 -4.857 {"}'M' greentint -9.665 2.084 -4.851 {"}'M' greentint -10.165 1.421 -4.621 {"}'M' greentint -10.069 1.654 -4.61 {"}'M' greentint -9.915 1.854 -4.602 {"}'M' greentint -9.715 2.007 -4.595 {"}'M' greentint -9.482 2.104 -4.591 {"}'M' greentint -10.09 1.282 -4.385 {"}'M' greentint -10.016 1.529 -4.374 {"}'M' greentint -9.872 1.744 -4.365 {"}'M' greentint -9.672 1.906 -4.358 {"}'M' greentint -9.433 2.003 -4.354 {"}'M' greentint -9.927 1.282 -4.178 {"}'M' greentint -9.833 1.524 -4.167 {"}'M' greentint -9.658 1.716 -4.159 {"}'M' greentint -9.426 1.832 -4.154 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 253 A}'M' green -9.848 1.981 -5.127 {"}'M' green -10.01 1.781 -5.136 {"}'M' green -10.204 1.44 -4.959 {"}'M' green -9.426 2.2 -4.706 {"}'M' green -10.219 1.278 -4.747 {"}'M' green -9.354 1.928 -4.223 {"}'M' green -10.033 1.184 -4.255 {"}'M' green -9.464 1.693 -3.975 {"}'M' green -9.618 1.487 -3.984 {"}'M' green -9.807 1.313 -3.991 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 253 A}'M' greentint -9.652 1.968 -4.936 {"}'M' greentint -9.793 1.751 -4.946 {"}'M' greentint -9.98 1.571 -4.954 {"}'M' greentint -9.502 1.958 -4.717 {"}'M' greentint -9.625 1.737 -4.727 {"}'M' greentint -9.791 1.545 -4.735 {"}'M' greentint -9.991 1.39 -4.742 {"}'M' greentint -9.401 1.949 -4.476 {"}'M' greentint -9.517 1.721 -4.486 {"}'M' greentint -9.674 1.519 -4.495 {"}'M' greentint -9.866 1.351 -4.502 {"}'M' greentint -10.087 1.221 -4.508 {"}'M' greentint -9.469 1.697 -4.233 {"}'M' greentint -9.624 1.492 -4.242 {"}'M' greentint -9.814 1.319 -4.25 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n gly A 312 2gufA_341Y_314}P -7.641 5.192 -12.757 {"}-7.641 5.192 -12.757 { ca gly A 312 2gufA_341Y_314}-8.851 5.137 -11.983 { c gly A 312 2gufA_341Y_314}-8.53 4.692 -10.573 { o gly A 312 2gufA_341Y_314}-7.486 4.117 -10.329 { c gly A 312 2gufA_341Y_314}P -8.53 4.692 -10.573 { n ala A 313 2gufA_341Y_314}-9.402 5.003 -9.636 { ca ala A 313 2gufA_341Y_314}-9.237 4.456 -8.29 { c ala A 313 2gufA_341Y_314}-10.573 4.39 -7.649 { o ala A 313 2gufA_341Y_314}-11.507 5.058 -8.08 { c ala A 313 2gufA_341Y_314}P -10.573 4.39 -7.649 { n gly A 314 2gufA_341Y_314}-10.692 3.618 -6.58 { ca gly A 314 2gufA_341Y_314}-12.042 3.446 -6.016 { c gly A 314 2gufA_341Y_314}-11.851 2.891 -4.622 { o gly A 314 2gufA_341Y_314}-10.745 2.4 -4.282 { c gly A 314 2gufA_341Y_314}P -11.851 2.891 -4.622 { n val A 315 2gufA_341Y_314}-12.876 3.053 -3.799 { ca val A 315 2gufA_341Y_314}-12.846 2.459 -2.466 { c val A 315 2gufA_341Y_314}-14.232 1.884 -2.299 { o val A 315 2gufA_341Y_314}-15.146 2.422 -2.885 { c val A 315 2gufA_341Y_314}P -14.232 1.884 -2.299 { n asp A 316 2gufA_341Y_314}-14.377 0.763 -1.599 { ca asp A 316 2gufA_341Y_314}-15.696 0.24 -1.342 { c asp A 316 2gufA_341Y_314}-15.676 -0.445 -0.003 { o asp A 316 2gufA_341Y_314}-14.617 -0.811 0.525 { n gly A 339 2gufA_341Y_314}P -12.084 -2.14 0.719 {"}-12.084 -2.14 0.719 { ca gly A 339 2gufA_341Y_314}-10.932 -2.237 -0.183 { c gly A 339 2gufA_341Y_314}-10.711 -0.939 -0.907 { o gly A 339 2gufA_341Y_314}-11.612 -0.081 -0.986 { c gly A 339 2gufA_341Y_314}P -10.711 -0.939 -0.907 { n ile A 340 2gufA_341Y_314}-9.538 -0.819 -1.445 { ca ile A 340 2gufA_341Y_314}-9.145 0.345 -2.212 { c ile A 340 2gufA_341Y_314}-8.333 -0.149 -3.388 { o ile A 340 2gufA_341Y_314}-7.562 -1.054 -3.226 { c ile A 340 2gufA_341Y_314}P -8.333 -0.149 -3.388 { n tyr A 341 2gufA_341Y_314}-8.479 0.464 -4.57 { ca tyr A 341 2gufA_341Y_314}-7.871 -0.093 -5.753 { c tyr A 341 2gufA_341Y_314}-7.472 1.046 -6.684 { o tyr A 341 2gufA_341Y_314}-8.034 2.127 -6.625 { c tyr A 341 2gufA_341Y_314}P -7.472 1.046 -6.684 { n leu A 342 2gufA_341Y_314}-6.507 0.733 -7.539 { ca leu A 342 2gufA_341Y_314}-5.975 1.617 -8.522 { c leu A 342 2gufA_341Y_314}-6.046 0.876 -9.894 { o leu A 342 2gufA_341Y_314}-5.882 -0.354 -9.953 { c leu A 342 2gufA_341Y_314}P -6.046 0.876 -9.894 { n thr A 343 2gufA_341Y_314}-6.37 1.58 -10.974 { ca thr A 343 2gufA_341Y_314}-6.374 0.953 -12.311 { c thr A 343 2gufA_341Y_314}-5.647 1.922 -13.272 { o thr A 343 2gufA_341Y_314}-5.636 3.159 -13.071 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n gly A 312 2gufA_341Y_314}P -7.641 5.192 -12.757 { ca gly A 312 2gufA_341Y_314}P -8.851 5.137 -11.983 {"}P -8.851 5.137 -11.983 { n ala A 313 2gufA_341Y_314}P -9.402 5.003 -9.636 { ca ala A 313 2gufA_341Y_314}P -9.237 4.456 -8.29 { n gly A 314 2gufA_341Y_314}P -10.692 3.618 -6.58 { ca gly A 314 2gufA_341Y_314}P -12.042 3.446 -6.016 {"}P -12.042 3.446 -6.016 { n val A 315 2gufA_341Y_314}P -12.876 3.053 -3.799 { ca val A 315 2gufA_341Y_314}P -12.846 2.459 -2.466 { n asp A 316 2gufA_341Y_314}P -14.377 0.763 -1.599 { ca asp A 316 2gufA_341Y_314}P -15.696 0.24 -1.342 { n gly A 339 2gufA_341Y_314}P -12.084 -2.14 0.719 { ca gly A 339 2gufA_341Y_314}P -10.932 -2.237 -0.183 {"}P -10.932 -2.237 -0.183 { n ile A 340 2gufA_341Y_314}P -9.538 -0.819 -1.445 { ca ile A 340 2gufA_341Y_314}P -9.145 0.345 -2.212 { n tyr A 341 2gufA_341Y_314}P -8.479 0.464 -4.57 { ca tyr A 341 2gufA_341Y_314}P -7.871 -0.093 -5.753 { n leu A 342 2gufA_341Y_314}P -6.507 0.733 -7.539 { ca leu A 342 2gufA_341Y_314}P -5.975 1.617 -8.522 { n thr A 343 2gufA_341Y_314}P -6.37 1.58 -10.974 { ca thr A 343 2gufA_341Y_314}P -6.374 0.953 -12.311 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca gly A 312 2gufA_341Y_314}P -8.851 5.137 -11.983 {"}-8.851 5.137 -11.983 { ca ala A 313 2gufA_341Y_314}-9.237 4.456 -8.29 { ca gly A 314 2gufA_341Y_314}-12.042 3.446 -6.016 { ca val A 315 2gufA_341Y_314}-12.846 2.459 -2.466 { ca asp A 316 2gufA_341Y_314}-15.696 0.24 -1.342 { ca gly A 339 2gufA_341Y_314}P -10.932 -2.237 -0.183 {"}-10.932 -2.237 -0.183 { ca ile A 340 2gufA_341Y_314}-9.145 0.345 -2.212 { ca tyr A 341 2gufA_341Y_314}-7.871 -0.093 -5.753 { ca leu A 342 2gufA_341Y_314}-5.975 1.617 -8.522 { ca thr A 343 2gufA_341Y_314}-6.374 0.953 -12.311 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ala A 313 2gufA_341Y_314}P -9.237 4.456 -8.29 { ca val A 315 2gufA_341Y_314}P -12.846 2.459 -2.466 { ca asp A 316 2gufA_341Y_314}P -15.696 0.24 -1.342 { ca ile A 340 2gufA_341Y_314}P -9.145 0.345 -2.212 { ca tyr A 341 2gufA_341Y_314}P -7.871 -0.093 -5.753 { cb tyr A 341 2gufA_341Y_314}-8.734 -1.167 -6.458 { cg tyr A 341 2gufA_341Y_314}-9.934 -0.561 -7.084 { cd1 tyr A 341 2gufA_341Y_314}-9.868 -0.073 -8.376 { ce1 tyr A 341 2gufA_341Y_314}-10.894 0.57 -8.952 { cz tyr A 341 2gufA_341Y_314}-12.05 0.733 -8.214 { oh tyr A 341 2gufA_341Y_314}-13.05 1.426 -8.818 { cg tyr A 341 2gufA_341Y_314}P -9.934 -0.561 -7.084 { cd2 tyr A 341 2gufA_341Y_314}-11.086 -0.365 -6.352 { ce2 tyr A 341 2gufA_341Y_314}-12.162 0.307 -6.919 { cz tyr A 341 2gufA_341Y_314}ghost -12.05 0.733 -8.214 { ca leu A 342 2gufA_341Y_314}P -5.975 1.617 -8.522 { ca thr A 343 2gufA_341Y_314}P -6.374 0.953 -12.311 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 341 2gufA_341Y_314}P -8.734 -1.167 -6.458 {"}P -8.734 -1.167 -6.458 { cd1 tyr A 341 2gufA_341Y_314}P -9.868 -0.073 -8.376 { cd2 tyr A 341 2gufA_341Y_314}P -11.086 -0.365 -6.352 { ce1 tyr A 341 2gufA_341Y_314}P -10.894 0.57 -8.952 { ce2 tyr A 341 2gufA_341Y_314}P -12.162 0.307 -6.919 { oh tyr A 341 2gufA_341Y_314}P -13.05 1.426 -8.818 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 341 2gufA_341Y_314}P -7.871 -0.093 -5.753 { cb tyr A 341 2gufA_341Y_314}-8.734 -1.167 -6.458 { cg tyr A 341 2gufA_341Y_314}-9.934 -0.561 -7.084 { cd1 tyr A 341 2gufA_341Y_314}-9.868 -0.073 -8.376 { ce1 tyr A 341 2gufA_341Y_314}-10.894 0.57 -8.952 { cz tyr A 341 2gufA_341Y_314}-12.05 0.733 -8.214 { oh tyr A 341 2gufA_341Y_314}-13.05 1.426 -8.818 { cg tyr A 341 2gufA_341Y_314}P -9.934 -0.561 -7.084 { cd2 tyr A 341 2gufA_341Y_314}-11.086 -0.365 -6.352 { ce2 tyr A 341 2gufA_341Y_314}-12.162 0.307 -6.919 { cz tyr A 341 2gufA_341Y_314}ghost -12.05 0.733 -8.214 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 341 2gufA_341Y_314}P -8.734 -1.167 -6.458 {"}P -8.734 -1.167 -6.458 { cd1 tyr A 341 2gufA_341Y_314}P -9.868 -0.073 -8.376 { cd2 tyr A 341 2gufA_341Y_314}P -11.086 -0.365 -6.352 { ce1 tyr A 341 2gufA_341Y_314}P -10.894 0.57 -8.952 { ce2 tyr A 341 2gufA_341Y_314}P -12.162 0.307 -6.919 { oh tyr A 341 2gufA_341Y_314}P -13.05 1.426 -8.818 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CZ TYR 341 A}'P' green -12.502 2.36 -7.753 {"}'P' green -12.246 2.409 -7.751 {"}'P' green -13.014 2.017 -7.518 {"}'P' green -11.803 2.314 -7.505 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 TYR 341 A}'P' P -13.035 1.823 -6.984 {"}'P' -13.011 1.781 -6.982 {"}'P' P -12.8 1.936 -6.979 {"}'P' -12.752 1.813 -6.974 {"}'P' P -12.55 2.012 -6.975 {"}'P' -12.512 1.845 -6.97 {"}'P' P -12.292 2.051 -6.974 {"}'P' -12.281 1.896 -6.969 {"}'P' P -12.032 2.051 -6.974 {"}'P' -12.038 1.963 -6.971 {"}'P' P -13.042 1.807 -6.723 {"}'P' -13.008 1.75 -6.73 {"}'P' P -12.807 1.921 -6.718 {"}'P' -12.75 1.778 -6.736 {"}'P' P -12.301 2.039 -6.712 {"}'P' -12.286 1.856 -6.734 {"}'P' P -12.04 2.04 -6.712 {"}'P' -12.048 1.926 -6.726 {"}'P' P -13.089 1.721 -6.467 {"}'P' -13.082 1.71 -6.471 {"}'P' P -12.86 1.845 -6.462 {"}'P' -12.817 1.751 -6.49 {"}'P' P -12.614 1.934 -6.458 {"}'P' -12.572 1.782 -6.501 {"}'P' P -12.358 1.983 -6.456 {"}'P' -12.339 1.827 -6.499 {"}'P' P -12.909 1.725 -6.217 {"}'P' -12.904 1.716 -6.222 {"}'P' P -12.673 1.824 -6.213 {"}'P' -12.652 1.762 -6.242 {"}'P' P -12.425 1.885 -6.21 {"}'P' -12.412 1.806 -6.246 { CZ TYR 341 A}'P' P -12.797 2.151 -7.512 {"}'P' -12.778 2.115 -7.53 {"}'P' P -12.561 2.25 -7.508 {"}'P' -12.538 2.183 -7.539 {"}'P' P -12.313 2.311 -7.505 {"}'P' -12.303 2.25 -7.533 {"}'P' P -12.058 2.333 -7.504 {"}'P' -12.058 2.315 -7.512 {"}'P' P -12.951 1.912 -7.287 {"}'P' -12.937 1.893 -7.301 {"}'P' P -12.732 2.047 -7.281 {"}'P' -12.693 1.971 -7.335 {"}'P' P -12.494 2.143 -7.277 {"}'P' -12.46 2.035 -7.348 {"}'P' P -12.243 2.197 -7.274 {"}'P' -12.23 2.101 -7.336 {"}'P' P -11.986 2.208 -7.274 {"}'P' -11.988 2.165 -7.301 {"}'P' P -11.993 2.051 -7.064 {"}'P' -11.995 2.006 -7.103 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { CE2 TYR 341 A}'P' P -12.558 1.999 -6.714 {"}'P' -12.513 1.805 -6.738 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 341 A}'P' blue -12.868 2.638 -8.14 {"}'P' blue -12.622 2.576 -8.143 {"}'P' sky -13.37 2.458 -7.928 {"}'P' sky -13.374 2.266 -7.746 {"}'P' sky -13.419 2.012 -7.601 {"}'P' sky -13.31 1.802 -7.495 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 341 A}'P' sea -13.115 2.503 -7.926 {"}'P' sea -12.856 2.488 -7.927 {"}'P' sea -12.607 2.414 -7.93 {"}'P' green -13.123 2.32 -7.743 {"}'P' green -12.866 2.305 -7.744 {"}'P' green -13.178 2.099 -7.597 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 314 A}'P' blue -12.64 2.81 -7.802 {"}'P' sky -12.9 2.809 -7.773 {"}'P' sky -13.325 2.55 -7.558 {"}'P' sky -13.405 2.29 -7.384 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 314 A}'P' sea -12.77 2.584 -7.782 {"}'P' green -12.886 2.362 -7.705 {"}'P' sea -13.075 2.544 -7.698 {"}'P' green -13.005 2.168 -7.574 {"}'P' sea -13.199 2.33 -7.567 {"}'P' green -11.866 2.304 -7.383 {"}'P' green -13.012 1.956 -7.398 {"}'P' sea -13.233 2.095 -7.392 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 314 A}'P' P -12.379 2.37 -7.705 {"}'P' -12.379 2.371 -7.703 {"}'P' P -12.632 2.298 -7.708 {"}'P' -12.632 2.299 -7.706 {"}'P' P -12.081 2.33 -7.567 {"}'P' -12.087 2.335 -7.557 {"}'P' P -12.275 2.168 -7.574 {"}'P' -12.301 2.209 -7.509 {"}'P' P -12.513 2.081 -7.578 {"}'P' -12.524 2.136 -7.502 {"}'P' P -12.767 2.081 -7.578 {"}'P' -12.761 2.109 -7.539 {"}'P' P -12.035 2.106 -7.392 {"}'P' -12.073 2.147 -7.343 {"}'P' P -12.252 1.963 -7.398 {"}'P' -12.296 2.051 -7.313 {"}'P' P -12.502 1.887 -7.401 {"}'P' -12.517 1.987 -7.313 {"}'P' P -12.762 1.885 -7.401 {"}'P' -12.753 1.949 -7.345 {"}'P' P -11.851 2.083 -7.171 {"}'P' -11.862 2.092 -7.163 {"}'P' P -12.041 1.914 -7.178 {"}'P' -12.087 1.979 -7.136 {"}'P' P -12.266 1.796 -7.183 {"}'P' -12.307 1.901 -7.124 {"}'P' P -12.513 1.736 -7.186 {"}'P' -12.527 1.847 -7.126 {"}'P' P -12.767 1.736 -7.186 {"}'P' -12.758 1.813 -7.144 {"}'P' P -13.014 1.796 -7.183 {"}'P' -13.012 1.802 -7.18 {"}'P' P -11.922 1.884 -6.932 {"}'P' -11.97 1.942 -6.912 {"}'P' P -12.138 1.747 -6.938 {"}'P' -12.204 1.881 -6.897 {"}'P' P -12.378 1.661 -6.942 {"}'P' -12.421 1.839 -6.892 {"}'P' P -12.632 1.631 -6.943 {"}'P' -12.633 1.797 -6.897 {"}'P' P -12.886 1.658 -6.942 {"}'P' -12.863 1.76 -6.913 {"}'P' P -13.128 1.74 -6.938 {"}'P' -13.123 1.75 -6.935 {"}'P' P -12.092 1.726 -6.678 {"}'P' -12.164 1.863 -6.672 {"}'P' P -12.327 1.633 -6.682 {"}'P' -12.38 1.822 -6.674 {"}'P' P -12.577 1.592 -6.684 {"}'P' -12.587 1.781 -6.676 {"}'P' P -12.829 1.606 -6.683 {"}'P' -12.807 1.739 -6.678 {"}'P' P -13.073 1.673 -6.68 {"}'P' -13.056 1.715 -6.679 {"}'P' P -12.138 1.724 -6.418 {"}'P' -12.191 1.833 -6.44 {"}'P' P -12.378 1.638 -6.421 {"}'P' -12.413 1.788 -6.45 {"}'P' P -12.632 1.608 -6.423 {"}'P' -12.633 1.746 -6.448 {"}'P' P -12.886 1.635 -6.421 {"}'P' -12.869 1.711 -6.436 {"}'P' P -12.513 1.691 -6.171 {"}'P' -12.52 1.754 -6.199 {"}'P' P -12.767 1.691 -6.171 {"}'P' -12.764 1.721 -6.184 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 341 A}'M' sea -9.235 2.753 -6.981 {"}'M' green -9.404 2.389 -6.743 {"}'M' green -9.334 2.636 -6.732 {"}'M' green -9.064 3.071 -6.713 {"}'M' green -9.406 2.369 -6.485 {"}'M' green -8.881 3.228 -6.448 {"}'M' green -9.374 2.238 -6.237 {"}'M' green -8.916 3.127 -6.198 {"}'M' green -9.282 2.218 -5.996 {"}'M' sea -8.807 3.085 -5.959 {"}'M' green -9.084 2.472 -5.765 {"}'M' green -8.967 2.704 -5.755 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 341 A}'M' greentint -9.219 2.866 -6.722 {"}'M' greentint -9.337 2.617 -6.474 {"}'M' greentint -9.224 2.848 -6.464 {"}'M' greentint -9.07 3.054 -6.455 {"}'M' greentint -9.326 2.489 -6.226 {"}'M' greentint -9.231 2.727 -6.215 {"}'M' greentint -9.092 2.942 -6.206 {"}'M' greentint -9.232 2.467 -5.986 {"}'M' greentint -9.134 2.7 -5.975 {"}'M' greentint -8.99 2.909 -5.966 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 314 A}'M' green -9.29 2.914 -6.832 {"}'M' green -9.426 2.693 -6.841 {"}'M' green -9.403 2.489 -6.643 {"}'M' green -9.083 3.168 -6.613 {"}'M' green -9.466 2.314 -6.409 {"}'M' green -8.983 3.149 -6.373 {"}'M' green -9.406 2.299 -6.151 {"}'M' green -8.949 3.146 -6.114 {"}'M' green -9.016 2.877 -5.866 {"}'M' green -9.112 2.644 -5.876 {"}'M' green -9.266 2.444 -5.885 {"}'M' sea -8.983 3.127 -5.855 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 314 A}'M' greentint -9.119 2.913 -6.624 {"}'M' greentint -9.229 2.679 -6.635 {"}'M' greentint -9.016 2.9 -6.383 {"}'M' greentint -9.112 2.667 -6.394 {"}'M' greentint -9.266 2.467 -6.402 {"}'M' greentint -8.978 2.897 -6.125 {"}'M' greentint -9.069 2.664 -6.135 {"}'M' greentint -9.215 2.46 -6.144 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 341 A}'M' green -9.477 2.156 -4.936 {"}'M' green -9.689 1.408 -4.002 {"}'M' green -9.595 1.65 -3.991 {"}'M' green -9.42 1.842 -3.983 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 341 A}'M' greentint -9.927 1.57 -4.962 {"}'M' greentint -9.831 1.803 -4.952 {"}'M' greentint -9.677 2.003 -4.943 {"}'M' greentint -9.987 1.426 -4.709 {"}'M' greentint -9.927 1.669 -4.698 {"}'M' greentint -9.808 1.89 -4.689 {"}'M' greentint -9.638 2.074 -4.681 {"}'M' greentint -9.427 2.21 -4.675 {"}'M' greentint -9.96 1.298 -4.455 {"}'M' greentint -9.927 1.547 -4.445 {"}'M' greentint -9.831 1.78 -4.434 {"}'M' greentint -9.677 1.98 -4.426 {"}'M' greentint -9.477 2.133 -4.419 {"}'M' greentint -9.852 1.408 -4.209 {"}'M' greentint -9.778 1.655 -4.198 {"}'M' greentint -9.634 1.87 -4.189 {"}'M' greentint -9.434 2.032 -4.182 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 314 A}'M' green -9.743 1.943 -5.146 {"}'M' green -9.884 1.726 -5.156 {"}'M' green -9.517 2.175 -4.916 {"}'M' green -10.082 1.365 -4.952 {"}'M' green -9.373 2.147 -4.164 {"}'M' green -9.898 1.288 -4.201 {"}'M' green -9.495 1.883 -3.921 {"}'M' green -9.612 1.656 -3.931 {"}'M' green -9.77 1.455 -3.94 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 314 A}'M' greentint -9.593 1.933 -4.927 {"}'M' greentint -9.716 1.712 -4.937 {"}'M' greentint -9.882 1.52 -4.945 {"}'M' greentint -9.421 2.17 -4.676 {"}'M' greentint -9.492 1.924 -4.686 {"}'M' greentint -9.608 1.696 -4.696 {"}'M' greentint -9.765 1.494 -4.705 {"}'M' greentint -9.957 1.326 -4.712 {"}'M' greentint -9.375 2.15 -4.422 {"}'M' greentint -9.445 1.903 -4.433 {"}'M' greentint -9.56 1.672 -4.443 {"}'M' greentint -9.715 1.467 -4.452 {"}'M' greentint -9.905 1.294 -4.46 {"}'M' greentint -9.442 1.899 -4.175 {"}'M' greentint -9.555 1.668 -4.185 {"}'M' greentint -9.709 1.462 -4.194 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n ser A 434 2gufA_436Y_463}P -12.123 -2.318 0.376 {"}-12.123 -2.318 0.376 { ca ser A 434 2gufA_436Y_463}-10.865 -2.314 -0.337 { c ser A 434 2gufA_436Y_463}-10.62 -0.984 -1.048 { o ser A 434 2gufA_436Y_463}-11.568 -0.245 -1.297 { c ser A 434 2gufA_436Y_463}P -10.62 -0.984 -1.048 { n gly A 435 2gufA_436Y_463}-9.354 -0.675 -1.35 { ca gly A 435 2gufA_436Y_463}-9.047 0.456 -2.2 { c gly A 435 2gufA_436Y_463}-8.412 -0.131 -3.395 { o gly A 435 2gufA_436Y_463}-7.661 -1.096 -3.249 { c gly A 435 2gufA_436Y_463}P -8.412 -0.131 -3.395 { n tyr A 436 2gufA_436Y_463}-8.734 0.377 -4.601 { ca tyr A 436 2gufA_436Y_463}-8.001 -0.075 -5.788 { c tyr A 436 2gufA_436Y_463}-7.521 1.087 -6.619 { o tyr A 436 2gufA_436Y_463}-8.048 2.233 -6.557 { c tyr A 436 2gufA_436Y_463}P -7.521 1.087 -6.619 { n arg A 437 2gufA_436Y_463}-6.541 0.779 -7.437 { ca arg A 437 2gufA_436Y_463}-6.185 1.689 -8.464 { c arg A 437 2gufA_436Y_463}-5.972 0.929 -9.749 { o arg A 437 2gufA_436Y_463}-5.321 -0.114 -9.753 { c arg A 437 2gufA_436Y_463}P -5.972 0.929 -9.749 { n asn A 438 2gufA_436Y_463}-6.487 1.482 -10.831 { ca asn A 438 2gufA_436Y_463}-6.361 0.85 -12.115 { c asn A 438 2gufA_436Y_463}-5.788 1.882 -13.047 { o asn A 438 2gufA_436Y_463}-6.426 2.898 -13.273 { n ile A 461 2gufA_436Y_463}P -8.1 5.095 -12.523 {"}-8.1 5.095 -12.523 { ca ile A 461 2gufA_436Y_463}-9.298 4.943 -11.731 { c ile A 461 2gufA_436Y_463}-8.837 4.62 -10.305 { o ile A 461 2gufA_436Y_463}-8.068 3.67 -10.096 { c ile A 461 2gufA_436Y_463}P -8.837 4.62 -10.305 { n lys A 462 2gufA_436Y_463}-9.29 5.413 -9.337 { ca lys A 462 2gufA_436Y_463}-9.037 5.113 -7.912 { c lys A 462 2gufA_436Y_463}-10.4 4.881 -7.329 { o lys A 462 2gufA_436Y_463}-11.348 5.557 -7.725 { c lys A 462 2gufA_436Y_463}P -10.4 4.881 -7.329 { n gly A 463 2gufA_436Y_463}-10.544 3.893 -6.459 { ca gly A 463 2gufA_436Y_463}-11.881 3.425 -6.092 { c gly A 463 2gufA_436Y_463}-11.823 2.871 -4.686 { o gly A 463 2gufA_436Y_463}-10.761 2.428 -4.213 { c gly A 463 2gufA_436Y_463}P -11.823 2.871 -4.686 { n val A 464 2gufA_436Y_463}-12.968 2.89 -4.024 { ca val A 464 2gufA_436Y_463}-13.12 2.192 -2.764 { c val A 464 2gufA_436Y_463}-14.352 1.378 -2.924 { o val A 464 2gufA_436Y_463}-15.358 1.855 -3.459 { c val A 464 2gufA_436Y_463}P -14.352 1.378 -2.924 { n glu A 465 2gufA_436Y_463}-14.277 0.143 -2.464 { ca glu A 465 2gufA_436Y_463}-15.44 -0.697 -2.394 { c glu A 465 2gufA_436Y_463}-15.662 -1.124 -0.943 { o glu A 465 2gufA_436Y_463}-14.826 -1.77 -0.345 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n ser A 434 2gufA_436Y_463}P -12.123 -2.318 0.376 { ca ser A 434 2gufA_436Y_463}P -10.865 -2.314 -0.337 { n gly A 435 2gufA_436Y_463}P -9.354 -0.675 -1.35 { ca gly A 435 2gufA_436Y_463}P -9.047 0.456 -2.2 {"}P -9.047 0.456 -2.2 { n tyr A 436 2gufA_436Y_463}P -8.734 0.377 -4.601 { ca tyr A 436 2gufA_436Y_463}P -8.001 -0.075 -5.788 { n arg A 437 2gufA_436Y_463}P -6.541 0.779 -7.437 { ca arg A 437 2gufA_436Y_463}P -6.185 1.689 -8.464 { n asn A 438 2gufA_436Y_463}P -6.487 1.482 -10.831 { ca asn A 438 2gufA_436Y_463}P -6.361 0.85 -12.115 { n ile A 461 2gufA_436Y_463}P -8.1 5.095 -12.523 { ca ile A 461 2gufA_436Y_463}P -9.298 4.943 -11.731 { n lys A 462 2gufA_436Y_463}P -9.29 5.413 -9.337 { ca lys A 462 2gufA_436Y_463}P -9.037 5.113 -7.912 { n gly A 463 2gufA_436Y_463}P -10.544 3.893 -6.459 { ca gly A 463 2gufA_436Y_463}P -11.881 3.425 -6.092 {"}P -11.881 3.425 -6.092 { n val A 464 2gufA_436Y_463}P -12.968 2.89 -4.024 { ca val A 464 2gufA_436Y_463}P -13.12 2.192 -2.764 { n glu A 465 2gufA_436Y_463}P -14.277 0.143 -2.464 { ca glu A 465 2gufA_436Y_463}P -15.44 -0.697 -2.394 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca ser A 434 2gufA_436Y_463}P -10.865 -2.314 -0.337 {"}-10.865 -2.314 -0.337 { ca gly A 435 2gufA_436Y_463}-9.047 0.456 -2.2 { ca tyr A 436 2gufA_436Y_463}-8.001 -0.075 -5.788 { ca arg A 437 2gufA_436Y_463}-6.185 1.689 -8.464 { ca asn A 438 2gufA_436Y_463}-6.361 0.85 -12.115 { ca ile A 461 2gufA_436Y_463}P -9.298 4.943 -11.731 {"}-9.298 4.943 -11.731 { ca lys A 462 2gufA_436Y_463}-9.037 5.113 -7.912 { ca gly A 463 2gufA_436Y_463}-11.881 3.425 -6.092 { ca val A 464 2gufA_436Y_463}-13.12 2.192 -2.764 { ca glu A 465 2gufA_436Y_463}-15.44 -0.697 -2.394 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca ser A 434 2gufA_436Y_463}P -10.865 -2.314 -0.337 { ca tyr A 436 2gufA_436Y_463}P -8.001 -0.075 -5.788 { cb tyr A 436 2gufA_436Y_463}-8.824 -0.988 -6.659 { cg tyr A 436 2gufA_436Y_463}-10.117 -0.399 -7.137 { cd1 tyr A 436 2gufA_436Y_463}-11.298 -0.563 -6.401 { ce1 tyr A 436 2gufA_436Y_463}-12.524 -0.056 -6.856 { cz tyr A 436 2gufA_436Y_463}-12.561 0.638 -8.024 { oh tyr A 436 2gufA_436Y_463}-13.761 1.197 -8.459 { cg tyr A 436 2gufA_436Y_463}P -10.117 -0.399 -7.137 { cd2 tyr A 436 2gufA_436Y_463}-10.187 0.294 -8.327 { ce2 tyr A 436 2gufA_436Y_463}-11.414 0.819 -8.777 { cz tyr A 436 2gufA_436Y_463}ghost -12.561 0.638 -8.024 { ca arg A 437 2gufA_436Y_463}P -6.185 1.689 -8.464 { ca asn A 438 2gufA_436Y_463}P -6.361 0.85 -12.115 { ca ile A 461 2gufA_436Y_463}P -9.298 4.943 -11.731 { ca lys A 462 2gufA_436Y_463}P -9.037 5.113 -7.912 { ca val A 464 2gufA_436Y_463}P -13.12 2.192 -2.764 { ca glu A 465 2gufA_436Y_463}P -15.44 -0.697 -2.394 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 436 2gufA_436Y_463}P -8.824 -0.988 -6.659 {"}P -8.824 -0.988 -6.659 { cd1 tyr A 436 2gufA_436Y_463}P -11.298 -0.563 -6.401 { cd2 tyr A 436 2gufA_436Y_463}P -10.187 0.294 -8.327 { ce1 tyr A 436 2gufA_436Y_463}P -12.524 -0.056 -6.856 { ce2 tyr A 436 2gufA_436Y_463}P -11.414 0.819 -8.777 { oh tyr A 436 2gufA_436Y_463}P -13.761 1.197 -8.459 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 436 2gufA_436Y_463}P -8.001 -0.075 -5.788 { cb tyr A 436 2gufA_436Y_463}-8.824 -0.988 -6.659 { cg tyr A 436 2gufA_436Y_463}-10.117 -0.399 -7.137 { cd1 tyr A 436 2gufA_436Y_463}-11.298 -0.563 -6.401 { ce1 tyr A 436 2gufA_436Y_463}-12.524 -0.056 -6.856 { cz tyr A 436 2gufA_436Y_463}-12.561 0.638 -8.024 { oh tyr A 436 2gufA_436Y_463}-13.761 1.197 -8.459 { cg tyr A 436 2gufA_436Y_463}P -10.117 -0.399 -7.137 { cd2 tyr A 436 2gufA_436Y_463}-10.187 0.294 -8.327 { ce2 tyr A 436 2gufA_436Y_463}-11.414 0.819 -8.777 { cz tyr A 436 2gufA_436Y_463}ghost -12.561 0.638 -8.024 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 436 2gufA_436Y_463}P -8.824 -0.988 -6.659 {"}P -8.824 -0.988 -6.659 { cd1 tyr A 436 2gufA_436Y_463}P -11.298 -0.563 -6.401 { cd2 tyr A 436 2gufA_436Y_463}P -10.187 0.294 -8.327 { ce1 tyr A 436 2gufA_436Y_463}P -12.524 -0.056 -6.856 { ce2 tyr A 436 2gufA_436Y_463}P -11.414 0.819 -8.777 { oh tyr A 436 2gufA_436Y_463}P -13.761 1.197 -8.459 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 436 A}'P' sea -11.659 1.452 -6.659 {"}'P' sea -12.976 1.571 -6.395 {"}'P' green -12.72 1.62 -6.393 {"}'P' green -11.947 1.531 -6.397 {"}'P' sea -12.532 1.544 -6.146 {"}'P' green -12.277 1.525 -6.147 {"}'P' sea -12.028 1.466 -6.15 { CE2 TYR 436 A}'P' sea -11.925 2.336 -8.071 {"}'P' sea -11.677 2.397 -8.068 {"}'P' green -11.607 2.283 -7.837 {"}'P' sea -11.35 2.294 -7.837 {"}'P' green -11.357 2.137 -7.627 {"}'P' green -11.35 1.95 -7.444 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 TYR 436 A}'P' P -12.144 1.64 -6.651 {"}'P' -12.16 1.569 -6.66 {"}'P' P -11.894 1.564 -6.654 {"}'P' -11.899 1.552 -6.656 {"}'P' P -12.459 1.63 -6.393 {"}'P' -12.46 1.607 -6.399 {"}'P' P -12.199 1.6 -6.394 {"}'P' -12.203 1.579 -6.4 { CE2 TYR 436 A}'P' P -11.617 2.123 -7.628 {"}'P' -11.616 2.118 -7.632 { CZ TYR 436 A}'P' P -12.7 2.37 -7.817 {"}'P' -12.699 2.367 -7.818 {"}'P' P -12.439 2.371 -7.817 {"}'P' -12.442 2.328 -7.823 {"}'P' P -12.181 2.334 -7.819 {"}'P' -12.191 2.287 -7.825 {"}'P' P -11.931 2.258 -7.822 {"}'P' -11.937 2.243 -7.824 {"}'P' P -13.013 2.265 -7.563 {"}'P' -13.013 2.264 -7.563 {"}'P' P -12.757 2.314 -7.561 {"}'P' -12.747 2.229 -7.584 {"}'P' P -12.496 2.324 -7.561 {"}'P' -12.501 2.183 -7.599 {"}'P' P -12.236 2.294 -7.562 {"}'P' -12.266 2.141 -7.605 {"}'P' P -11.984 2.225 -7.565 {"}'P' -12.027 2.108 -7.599 {"}'P' P -11.746 2.118 -7.57 {"}'P' -11.773 2.069 -7.585 {"}'P' P -13.072 2.155 -7.318 {"}'P' -13.064 2.131 -7.329 {"}'P' P -12.824 2.216 -7.315 {"}'P' -12.804 2.097 -7.368 {"}'P' P -11.829 2.064 -7.322 {"}'P' -11.889 1.946 -7.38 {"}'P' P -11.61 1.932 -7.328 {"}'P' -11.633 1.9 -7.345 {"}'P' P -13.005 2.048 -7.087 {"}'P' -12.987 1.991 -7.124 {"}'P' P -12.754 2.102 -7.084 {"}'P' -12.734 1.954 -7.179 {"}'P' P -11.766 1.889 -7.094 {"}'P' -11.819 1.806 -7.156 {"}'P' P -11.56 1.736 -7.1 {"}'P' -11.56 1.736 -7.1 {"}'P' P -13.016 1.879 -6.878 {"}'P' -13.009 1.858 -6.897 {"}'P' P -12.764 1.942 -6.875 {"}'P' -12.748 1.84 -6.965 {"}'P' P -12 1.837 -6.879 {"}'P' -12.052 1.727 -6.985 {"}'P' P -11.774 1.709 -6.885 {"}'P' -11.802 1.671 -6.925 {"}'P' P -12.754 1.756 -6.691 {"}'P' -12.747 1.716 -6.738 {"}'P' P -12.497 1.769 -6.691 {"}'P' -12.501 1.692 -6.782 {"}'P' P -12.243 1.728 -6.692 {"}'P' -12.264 1.653 -6.784 {"}'P' P -12.003 1.633 -6.697 {"}'P' -12.023 1.597 -6.743 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { CZ TYR 436 A}'P' P -12.569 2.238 -7.314 {"}'P' -12.568 2.045 -7.4 {"}'P' P -12.314 2.219 -7.315 {"}'P' -12.349 1.999 -7.414 {"}'P' P -12.065 2.16 -7.318 {"}'P' -12.127 1.971 -7.406 {"}'P' P -12.497 2.113 -7.084 {"}'P' -12.506 1.902 -7.218 {"}'P' P -12.242 2.08 -7.085 {"}'P' -12.29 1.862 -7.227 {"}'P' P -11.996 2.005 -7.088 {"}'P' -12.065 1.839 -7.202 {"}'P' P -12.504 1.956 -6.874 {"}'P' -12.511 1.8 -7.011 {"}'P' P -12.246 1.921 -6.876 {"}'P' -12.286 1.761 -7.018 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 436 A}'P' sky -13.333 2.347 -7.784 {"}'P' sky -13.318 2.185 -7.571 { HH TYR 436 A}'P' blue -13.6 2.195 -7.383 {"}'P' blue -13.572 1.996 -7.15 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 463 A}'P' blue -13.246 2.421 -7.313 {"}'P' blue -13.332 2.401 -7.067 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 463 A}'P' sea -11.778 2.451 -7.859 {"}'P' sea -11.537 2.442 -7.72 {"}'P' green -11.663 2.222 -7.729 {"}'P' green -11.448 2.196 -7.545 {"}'P' sea -11.289 2.184 -7.324 {"}'P' green -11.433 1.975 -7.333 {"}'P' green -11.72 1.616 -6.58 {"}'P' sea -11.848 1.644 -6.331 {"}'P' green -12.095 1.583 -6.333 {"}'P' green -12.596 1.644 -6.331 {"}'P' sea -12.821 1.762 -6.326 {"}'P' sea -12.344 1.713 -6.106 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 463 A}'P' P -11.961 2.262 -7.867 {"}'P' -11.962 2.264 -7.862 {"}'P' P -12.214 2.19 -7.87 {"}'P' -12.214 2.22 -7.8 {"}'P' P -12.468 2.254 -7.867 {"}'P' -12.455 2.275 -7.811 {"}'P' P -11.857 2.06 -7.736 {"}'P' -11.879 2.095 -7.681 {"}'P' P -12.095 1.973 -7.74 {"}'P' -12.112 2.062 -7.616 {"}'P' P -12.349 1.973 -7.74 {"}'P' -12.329 2.08 -7.591 {"}'P' P -12.587 2.06 -7.736 {"}'P' -12.54 2.135 -7.616 {"}'P' P -12.781 2.222 -7.729 {"}'P' -12.751 2.245 -7.68 {"}'P' P -11.617 1.998 -7.554 {"}'P' -11.627 2.009 -7.541 {"}'P' P -11.834 1.855 -7.56 {"}'P' -11.877 1.943 -7.475 {"}'P' P -12.815 1.987 -7.554 {"}'P' -12.739 2.072 -7.457 {"}'P' P -12.987 2.182 -7.546 {"}'P' -12.961 2.198 -7.52 {"}'P' P -11.623 1.806 -7.34 {"}'P' -11.65 1.844 -7.316 {"}'P' P -11.848 1.688 -7.345 {"}'P' -11.898 1.816 -7.272 {"}'P' P -12.821 1.806 -7.34 {"}'P' -12.726 1.94 -7.254 {"}'P' P -13.011 1.975 -7.333 {"}'P' -12.951 2.027 -7.291 {"}'P' P -11.72 1.639 -7.1 {"}'P' -11.752 1.703 -7.08 {"}'P' P -11.96 1.553 -7.104 {"}'P' -11.996 1.703 -7.061 {"}'P' P -12.71 1.632 -7.1 {"}'P' -12.629 1.8 -7.05 {"}'P' P -12.927 1.766 -7.094 {"}'P' -12.854 1.858 -7.063 {"}'P' P -13.109 1.945 -7.086 {"}'P' -13.09 1.961 -7.08 {"}'P' P -11.909 1.525 -6.844 {"}'P' -11.927 1.59 -6.841 {"}'P' P -12.159 1.484 -6.846 {"}'P' -12.165 1.606 -6.841 {"}'P' P -12.411 1.498 -6.845 {"}'P' -12.388 1.637 -6.839 {"}'P' P -12.655 1.565 -6.842 {"}'P' -12.61 1.679 -6.837 {"}'P' P -12.879 1.684 -6.837 {"}'P' -12.84 1.74 -6.835 {"}'P' P -11.96 1.53 -6.583 {"}'P' -11.965 1.552 -6.587 {"}'P' P -12.214 1.5 -6.585 {"}'P' -12.214 1.569 -6.597 {"}'P' P -12.468 1.527 -6.583 {"}'P' -12.453 1.595 -6.596 {"}'P' P -12.71 1.609 -6.58 {"}'P' -12.699 1.632 -6.585 {"}'P' P -12.349 1.583 -6.333 {"}'P' -12.348 1.593 -6.338 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { HA3 GLY 463 A}'P' P -12.084 1.779 -7.563 {"}'P' -12.109 1.94 -7.422 {"}'P' P -12.344 1.777 -7.563 {"}'P' -12.318 1.965 -7.398 {"}'P' P -12.594 1.848 -7.56 {"}'P' -12.522 2.004 -7.412 {"}'P' P -12.095 1.628 -7.348 {"}'P' -12.12 1.831 -7.238 {"}'P' P -12.349 1.628 -7.348 {"}'P' -12.32 1.861 -7.222 {"}'P' P -12.596 1.688 -7.345 {"}'P' -12.516 1.894 -7.228 {"}'P' P -12.214 1.523 -7.105 {"}'P' -12.215 1.729 -7.048 {"}'P' P -12.468 1.55 -7.104 {"}'P' -12.42 1.762 -7.044 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 436 A}'M' green -9.348 2.742 -6.664 {"}'M' green -8.888 3.35 -6.638 {"}'M' green -9.42 2.475 -6.417 {"}'M' sea -9.388 2.344 -6.169 {"}'M' green -8.721 3.381 -6.123 {"}'M' green -9.246 2.573 -5.918 {"}'M' green -8.821 3.191 -5.891 {"}'M' green -9.098 2.578 -5.697 {"}'M' green -8.981 2.81 -5.687 {"}'M' green -8.815 3.008 -5.679 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 436 A}'M' greentint -9.233 2.972 -6.654 {"}'M' greentint -9.078 3.177 -6.645 {"}'M' greentint -9.351 2.723 -6.406 {"}'M' greentint -9.238 2.954 -6.396 {"}'M' greentint -9.084 3.16 -6.387 {"}'M' greentint -8.895 3.334 -6.38 {"}'M' greentint -9.34 2.595 -6.158 {"}'M' greentint -9.245 2.833 -6.147 {"}'M' greentint -9.106 3.048 -6.138 {"}'M' greentint -8.93 3.233 -6.13 {"}'M' greentint -9.148 2.806 -5.907 {"}'M' greentint -9.004 3.015 -5.898 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 463 A}'M' green -9.13 3.192 -6.728 {"}'M' green -9.266 2.971 -6.737 {"}'M' green -9.465 2.635 -6.545 {"}'M' green -8.923 3.446 -6.509 {"}'M' green -9.539 2.495 -6.309 {"}'M' green -8.823 3.427 -6.269 {"}'M' green -9.472 2.468 -6.051 {"}'M' green -8.789 3.424 -6.01 {"}'M' green -8.856 3.155 -5.762 {"}'M' green -9.106 2.722 -5.781 {"}'M' green -9.306 2.569 -5.788 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 463 A}'M' greentint -8.959 3.191 -6.52 {"}'M' greentint -9.069 2.957 -6.531 {"}'M' greentint -9.243 2.767 -6.539 {"}'M' greentint -8.856 3.178 -6.279 {"}'M' greentint -8.952 2.945 -6.29 {"}'M' greentint -9.106 2.745 -6.298 {"}'M' greentint -9.306 2.592 -6.305 {"}'M' greentint -8.818 3.175 -6.021 {"}'M' greentint -8.909 2.942 -6.031 {"}'M' greentint -9.055 2.738 -6.04 {"}'M' greentint -9.246 2.577 -6.047 {"}'M' greentint -8.952 2.922 -5.772 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 436 A}'M' greentint -10.286 1.55 -5.006 {"}'M' greentint -10.132 1.75 -4.997 {"}'M' greentint -9.932 1.903 -4.99 {"}'M' greentint -9.699 1.999 -4.986 {"}'M' greentint -10.382 1.416 -4.752 {"}'M' greentint -10.263 1.637 -4.743 {"}'M' greentint -10.093 1.821 -4.735 {"}'M' greentint -9.882 1.957 -4.729 {"}'M' greentint -9.644 2.036 -4.725 {"}'M' greentint -10.382 1.294 -4.499 {"}'M' greentint -10.286 1.527 -4.488 {"}'M' greentint -10.132 1.727 -4.48 {"}'M' greentint -9.932 1.88 -4.473 {"}'M' greentint -9.699 1.977 -4.469 {"}'M' greentint -10.307 1.155 -4.263 {"}'M' greentint -10.233 1.402 -4.252 {"}'M' greentint -10.089 1.617 -4.243 {"}'M' greentint -9.889 1.779 -4.236 {"}'M' greentint -9.65 1.876 -4.232 {"}'M' greentint -10.05 1.397 -4.045 {"}'M' greentint -9.875 1.589 -4.037 {"}'M' greentint -9.643 1.705 -4.032 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 463 A}'M' green -9.759 1.971 -5.077 {"}'M' green -10.311 1.443 -5.1 {"}'M' green -10.38 1.094 -4.401 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 463 A}'M' greentint -9.9 1.754 -5.087 {"}'M' greentint -10.087 1.574 -5.095 {"}'M' greentint -9.609 1.961 -4.858 {"}'M' greentint -9.732 1.74 -4.868 {"}'M' greentint -9.898 1.548 -4.876 {"}'M' greentint -10.098 1.393 -4.883 {"}'M' greentint -10.326 1.281 -4.888 {"}'M' greentint -9.508 1.952 -4.617 {"}'M' greentint -9.624 1.724 -4.627 {"}'M' greentint -9.781 1.522 -4.636 {"}'M' greentint -9.973 1.354 -4.643 {"}'M' greentint -10.194 1.224 -4.649 {"}'M' greentint -10.436 1.139 -4.653 {"}'M' greentint -9.461 1.931 -4.364 {"}'M' greentint -9.576 1.7 -4.374 {"}'M' greentint -9.731 1.495 -4.383 {"}'M' greentint -9.921 1.322 -4.391 {"}'M' greentint -10.14 1.187 -4.396 {"}'M' greentint -9.571 1.696 -4.116 {"}'M' greentint -9.725 1.49 -4.125 {"}'M' greentint -9.914 1.316 -4.132 {"}'M' greentint -10.132 1.179 -4.138 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n mse A 248 2gvkA_250F_259}P -12.051 -1.484 0.692 {"}-12.051 -1.484 0.692 { ca mse A 248 2gvkA_250F_259}-10.736 -1.858 0.184 { c mse A 248 2gvkA_250F_259}-10.398 -1.041 -1.046 { o mse A 248 2gvkA_250F_259}-11.171 -0.988 -1.995 { c mse A 248 2gvkA_250F_259}P -10.398 -1.041 -1.046 { n pro A 249 2gvkA_250F_259}-9.229 -0.415 -1.026 { ca pro A 249 2gvkA_250F_259}-8.756 0.32 -2.176 { c pro A 249 2gvkA_250F_259}-8.538 -0.569 -3.411 { o pro A 249 2gvkA_250F_259}-8.084 -1.694 -3.292 { c pro A 249 2gvkA_250F_259}P -8.538 -0.569 -3.411 { n phe A 250 2gvkA_250F_259}-8.868 -0.039 -4.581 { ca phe A 250 2gvkA_250F_259}-8.417 -0.615 -5.85 { c phe A 250 2gvkA_250F_259}-8.147 0.524 -6.824 { o phe A 250 2gvkA_250F_259}-8.704 1.63 -6.676 { c phe A 250 2gvkA_250F_259}P -8.147 0.524 -6.824 { n ala A 251 2gvkA_250F_259}-7.249 0.3 -7.773 { ca ala A 251 2gvkA_250F_259}-6.896 1.367 -8.702 { c ala A 251 2gvkA_250F_259}-6.166 0.924 -9.907 { o ala A 251 2gvkA_250F_259}-5.384 -0.041 -9.864 { c ala A 251 2gvkA_250F_259}P -6.166 0.924 -9.907 { n asn A 252 2gvkA_250F_259}-6.407 1.657 -10.994 { ca aasn A 252 2gvkA_250F_259}-5.553 1.637 -12.19 { n asn A 252 2gvkA_250F_259}P -6.407 1.657 -10.994 { ca basn A 252 2gvkA_250F_259}-5.537 1.628 -12.154 { ca aasn A 252 2gvkA_250F_259}P -5.553 1.637 -12.19 { c asn A 252 2gvkA_250F_259}-5.11 3.073 -12.426 { o asn A 252 2gvkA_250F_259}-5.776 3.819 -13.129 { ca basn A 252 2gvkA_250F_259}P -5.537 1.628 -12.154 { c asn A 252 2gvkA_250F_259}ghost -5.11 3.073 -12.426 { n glu A 257 2gvkA_250F_259}P -7.944 5.9 -12.559 {"}-7.944 5.9 -12.559 { ca aglu A 257 2gvkA_250F_259}-9.084 5.187 -11.942 { n glu A 257 2gvkA_250F_259}P -7.944 5.9 -12.559 { ca bglu A 257 2gvkA_250F_259}-9.08 5.219 -11.953 { ca aglu A 257 2gvkA_250F_259}P -9.084 5.187 -11.942 { c glu A 257 2gvkA_250F_259}-8.78 4.847 -10.505 { o glu A 257 2gvkA_250F_259}-7.861 4.077 -10.226 { ca bglu A 257 2gvkA_250F_259}P -9.08 5.219 -11.953 { c glu A 257 2gvkA_250F_259}ghost -8.78 4.847 -10.505 {"}P -8.78 4.847 -10.505 { n tyr A 258 2gvkA_250F_259}-9.57 5.413 -9.586 { ca tyr A 258 2gvkA_250F_259}-9.4 5.19 -8.155 { c tyr A 258 2gvkA_250F_259}-10.729 4.778 -7.577 { o tyr A 258 2gvkA_250F_259}-11.751 5.455 -7.81 { c tyr A 258 2gvkA_250F_259}P -10.729 4.778 -7.577 { n gly A 259 2gvkA_250F_259}-10.736 3.69 -6.823 { ca gly A 259 2gvkA_250F_259}-11.983 3.178 -6.262 { c gly A 259 2gvkA_250F_259}-11.894 2.563 -4.88 { o gly A 259 2gvkA_250F_259}-10.816 2.349 -4.332 { c gly A 259 2gvkA_250F_259}P -11.894 2.563 -4.88 { n thr A 260 2gvkA_250F_259}-13.073 2.355 -4.297 { ca thr A 260 2gvkA_250F_259}-13.237 1.663 -3.041 { c thr A 260 2gvkA_250F_259}-14.19 0.502 -3.281 { o thr A 260 2gvkA_250F_259}-15.275 0.681 -3.856 { c thr A 260 2gvkA_250F_259}P -14.19 0.502 -3.281 { n tyr A 261 2gvkA_250F_259}-13.781 -0.694 -2.882 { ca tyr A 261 2gvkA_250F_259}-14.656 -1.836 -2.926 { c tyr A 261 2gvkA_250F_259}-15.239 -2.032 -1.537 { o tyr A 261 2gvkA_250F_259}-14.539 -2.433 -0.607 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n mse A 248 2gvkA_250F_259}P -12.051 -1.484 0.692 { ca mse A 248 2gvkA_250F_259}P -10.736 -1.858 0.184 { ca pro A 249 2gvkA_250F_259}P -8.756 0.32 -2.176 { n phe A 250 2gvkA_250F_259}P -8.868 -0.039 -4.581 { ca phe A 250 2gvkA_250F_259}P -8.417 -0.615 -5.85 { n ala A 251 2gvkA_250F_259}P -7.249 0.3 -7.773 { ca ala A 251 2gvkA_250F_259}P -6.896 1.367 -8.702 { n asn A 252 2gvkA_250F_259}P -6.407 1.657 -10.994 { ca aasn A 252 2gvkA_250F_259}P -5.553 1.637 -12.19 { n glu A 257 2gvkA_250F_259}P -7.944 5.9 -12.559 { ca aglu A 257 2gvkA_250F_259}P -9.084 5.187 -11.942 { n tyr A 258 2gvkA_250F_259}P -9.57 5.413 -9.586 { ca tyr A 258 2gvkA_250F_259}P -9.4 5.19 -8.155 { n gly A 259 2gvkA_250F_259}P -10.736 3.69 -6.823 { ca gly A 259 2gvkA_250F_259}P -11.983 3.178 -6.262 {"}P -11.983 3.178 -6.262 { n thr A 260 2gvkA_250F_259}P -13.073 2.355 -4.297 { ca thr A 260 2gvkA_250F_259}P -13.237 1.663 -3.041 { n tyr A 261 2gvkA_250F_259}P -13.781 -0.694 -2.882 { ca tyr A 261 2gvkA_250F_259}P -14.656 -1.836 -2.926 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca mse A 248 2gvkA_250F_259}P -10.736 -1.858 0.184 {"}-10.736 -1.858 0.184 { ca pro A 249 2gvkA_250F_259}-8.756 0.32 -2.176 { ca phe A 250 2gvkA_250F_259}-8.417 -0.615 -5.85 { ca ala A 251 2gvkA_250F_259}-6.896 1.367 -8.702 { ca aasn A 252 2gvkA_250F_259}-5.553 1.637 -12.19 { ca ala A 251 2gvkA_250F_259}P -6.896 1.367 -8.702 { ca basn A 252 2gvkA_250F_259}-5.537 1.628 -12.154 { ca aglu A 257 2gvkA_250F_259}P -9.084 5.187 -11.942 {"}-9.084 5.187 -11.942 { ca bglu A 257 2gvkA_250F_259}P -9.08 5.219 -11.953 {"}-9.08 5.219 -11.953 { ca aglu A 257 2gvkA_250F_259}P -9.084 5.187 -11.942 { ca tyr A 258 2gvkA_250F_259}-9.4 5.19 -8.155 { ca bglu A 257 2gvkA_250F_259}P -9.08 5.219 -11.953 { ca tyr A 258 2gvkA_250F_259}-9.4 5.19 -8.155 { ca gly A 259 2gvkA_250F_259}-11.983 3.178 -6.262 { ca thr A 260 2gvkA_250F_259}-13.237 1.663 -3.041 { ca tyr A 261 2gvkA_250F_259}-14.656 -1.836 -2.926 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca mse A 248 2gvkA_250F_259}P -10.736 -1.858 0.184 { ca pro A 249 2gvkA_250F_259}P -8.756 0.32 -2.176 { n pro A 249 2gvkA_250F_259}P -9.229 -0.415 -1.026 { ca phe A 250 2gvkA_250F_259}P -8.417 -0.615 -5.85 { cb phe A 250 2gvkA_250F_259}-9.422 -1.608 -6.42 { cg phe A 250 2gvkA_250F_259}-10.715 -0.993 -6.865 { cd1 phe A 250 2gvkA_250F_259}-11.789 -0.898 -5.999 { ce1 phe A 250 2gvkA_250F_259}-13.029 -0.386 -6.442 { cz phe A 250 2gvkA_250F_259}-13.182 -0.005 -7.718 { cg phe A 250 2gvkA_250F_259}P -10.715 -0.993 -6.865 { cd2 phe A 250 2gvkA_250F_259}-10.892 -0.612 -8.17 { ce2 phe A 250 2gvkA_250F_259}-12.095 -0.091 -8.607 { cz phe A 250 2gvkA_250F_259}ghost -13.182 -0.005 -7.718 { ca ala A 251 2gvkA_250F_259}P -6.896 1.367 -8.702 { ca aasn A 252 2gvkA_250F_259}P -5.553 1.637 -12.19 { ca basn A 252 2gvkA_250F_259}P -5.537 1.628 -12.154 { ca aglu A 257 2gvkA_250F_259}P -9.084 5.187 -11.942 { ca bglu A 257 2gvkA_250F_259}P -9.08 5.219 -11.953 { ca tyr A 258 2gvkA_250F_259}P -9.4 5.19 -8.155 { ca thr A 260 2gvkA_250F_259}P -13.237 1.663 -3.041 { ca tyr A 261 2gvkA_250F_259}P -14.656 -1.836 -2.926 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 250 2gvkA_250F_259}P -9.422 -1.608 -6.42 {"}P -9.422 -1.608 -6.42 { cd1 phe A 250 2gvkA_250F_259}P -11.789 -0.898 -5.999 { cd2 phe A 250 2gvkA_250F_259}P -10.892 -0.612 -8.17 { ce1 phe A 250 2gvkA_250F_259}P -13.029 -0.386 -6.442 { ce2 phe A 250 2gvkA_250F_259}P -12.095 -0.091 -8.607 { cz phe A 250 2gvkA_250F_259}P -13.182 -0.005 -7.718 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 250 2gvkA_250F_259}P -8.417 -0.615 -5.85 { cb phe A 250 2gvkA_250F_259}-9.422 -1.608 -6.42 { cg phe A 250 2gvkA_250F_259}-10.715 -0.993 -6.865 { cd1 phe A 250 2gvkA_250F_259}-11.789 -0.898 -5.999 { ce1 phe A 250 2gvkA_250F_259}-13.029 -0.386 -6.442 { cz phe A 250 2gvkA_250F_259}-13.182 -0.005 -7.718 { cg phe A 250 2gvkA_250F_259}P -10.715 -0.993 -6.865 { cd2 phe A 250 2gvkA_250F_259}-10.892 -0.612 -8.17 { ce2 phe A 250 2gvkA_250F_259}-12.095 -0.091 -8.607 { cz phe A 250 2gvkA_250F_259}ghost -13.182 -0.005 -7.718 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 250 2gvkA_250F_259}P -9.422 -1.608 -6.42 {"}P -9.422 -1.608 -6.42 { cd1 phe A 250 2gvkA_250F_259}P -11.789 -0.898 -5.999 { cd2 phe A 250 2gvkA_250F_259}P -10.892 -0.612 -8.17 { ce1 phe A 250 2gvkA_250F_259}P -13.029 -0.386 -6.442 { ce2 phe A 250 2gvkA_250F_259}P -12.095 -0.091 -8.607 { cz phe A 250 2gvkA_250F_259}P -13.182 -0.005 -7.718 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 250 A}'P' sky -12.001 0.992 -6.772 {"}'P' sky -13.168 1.346 -6.235 { CE2 PHE 250 A}'P' sky -12.291 1.585 -8.144 {"}'P' sky -12.03 1.595 -8.144 {"}'P' sky -11.848 1.49 -7.898 {"}'P' sky -11.776 1.351 -7.668 {"}'P' sky -11.78 1.192 -7.459 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 250 A}'P' green -12.221 1.132 -6.765 {"}'P' sea -13.159 1.358 -6.497 {"}'P' green -12.899 1.358 -6.497 {"}'P' green -12.641 1.319 -6.498 {"}'P' green -12.391 1.243 -6.502 {"}'P' sea -12.156 1.13 -6.507 {"}'P' sea -12.907 1.347 -6.235 {"}'P' sea -12.649 1.31 -6.237 {"}'P' sea -12.399 1.234 -6.24 { CE2 PHE 250 A}'P' sea -12.103 1.509 -7.897 {"}'P' green -12.031 1.384 -7.667 { CZ PHE 250 A}'P' green -13.052 1.739 -7.773 {"}'P' green -12.309 1.511 -7.783 {"}'P' green -13.321 1.727 -7.511 {"}'P' green -12.1 1.358 -7.528 {"}'P' green -13.378 1.671 -7.255 {"}'P' green -13.118 1.47 -6.778 {"}'P' green -12.387 1.246 -6.788 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CZ PHE 250 A}'P' P -12.794 1.7 -7.774 {"}'P' -12.794 1.7 -7.774 {"}'P' P -12.544 1.624 -7.778 {"}'P' -12.546 1.619 -7.778 {"}'P' P -13.06 1.728 -7.511 {"}'P' -13.062 1.703 -7.514 {"}'P' P -12.802 1.691 -7.513 {"}'P' -12.819 1.614 -7.522 {"}'P' P -12.552 1.615 -7.516 {"}'P' -12.583 1.536 -7.526 {"}'P' P -12.317 1.503 -7.521 {"}'P' -12.338 1.466 -7.526 {"}'P' P -13.117 1.681 -7.255 {"}'P' -13.118 1.64 -7.266 {"}'P' P -12.857 1.651 -7.256 {"}'P' -12.877 1.549 -7.284 {"}'P' P -12.605 1.582 -7.259 {"}'P' -12.646 1.47 -7.292 {"}'P' P -12.367 1.475 -7.264 {"}'P' -12.407 1.403 -7.286 {"}'P' P -12.148 1.334 -7.27 {"}'P' -12.151 1.33 -7.271 {"}'P' P -13.19 1.595 -7.008 {"}'P' -13.19 1.588 -7.011 {"}'P' P -12.935 1.576 -7.009 {"}'P' -12.946 1.504 -7.041 {"}'P' P -12.686 1.517 -7.012 {"}'P' -12.717 1.424 -7.055 {"}'P' P -12.45 1.421 -7.016 {"}'P' -12.484 1.354 -7.049 {"}'P' P -12.231 1.289 -7.022 {"}'P' -12.237 1.28 -7.026 {"}'P' P -12.863 1.437 -6.779 {"}'P' -12.868 1.412 -6.796 {"}'P' P -12.617 1.362 -6.782 {"}'P' -12.628 1.334 -6.801 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 259 A}'P' sky -12.021 1.832 -7.893 {"}'P' sky -11.781 1.77 -7.711 {"}'P' sky -11.787 1.578 -7.497 {"}'P' sky -12.012 1.416 -6.488 {"}'P' sky -13.175 1.703 -6.475 {"}'P' sky -12.979 1.695 -6.254 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 259 A}'P' sea -12.259 1.745 -7.897 {"}'P' green -12.513 1.745 -7.897 {"}'P' sea -11.998 1.627 -7.717 {"}'P' green -12.248 1.551 -7.72 {"}'P' green -12.979 1.759 -7.711 {"}'P' green -13.175 1.747 -7.49 {"}'P' green -12.124 1.325 -7.261 {"}'P' green -13.273 1.717 -7.243 {"}'P' green -12.073 1.297 -7.001 {"}'P' green -13.235 1.619 -6.987 {"}'P' sea -12.124 1.302 -6.74 {"}'P' green -12.378 1.272 -6.742 {"}'P' green -13.091 1.516 -6.731 {"}'P' sea -12.259 1.355 -6.49 {"}'P' green -12.513 1.355 -6.49 {"}'P' green -12.76 1.416 -6.488 {"}'P' sea -12.985 1.534 -6.483 {"}'P' sea -12.508 1.485 -6.263 {"}'P' sea -12.758 1.556 -6.26 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 259 A}'P' P -12.508 1.549 -7.72 {"}'P' -12.505 1.57 -7.702 {"}'P' P -12.758 1.62 -7.717 {"}'P' -12.747 1.644 -7.694 {"}'P' P -12.259 1.4 -7.505 {"}'P' -12.262 1.424 -7.492 {"}'P' P -12.513 1.4 -7.505 {"}'P' -12.503 1.478 -7.462 {"}'P' P -12.76 1.46 -7.502 {"}'P' -12.726 1.547 -7.453 {"}'P' P -12.985 1.578 -7.497 {"}'P' -12.949 1.629 -7.465 {"}'P' P -12.378 1.295 -7.262 {"}'P' -12.378 1.37 -7.241 {"}'P' P -12.632 1.322 -7.261 {"}'P' -12.606 1.436 -7.229 {"}'P' P -12.874 1.404 -7.257 {"}'P' -12.824 1.507 -7.226 {"}'P' P -13.091 1.538 -7.251 {"}'P' -13.05 1.589 -7.234 {"}'P' P -12.323 1.256 -7.003 {"}'P' -12.324 1.288 -7.002 {"}'P' P -12.575 1.27 -7.002 {"}'P' -12.562 1.352 -6.999 {"}'P' P -12.819 1.337 -6.999 {"}'P' -12.785 1.423 -6.996 {"}'P' P -13.043 1.456 -6.994 {"}'P' -13.011 1.503 -6.992 {"}'P' P -12.632 1.299 -6.74 {"}'P' -12.629 1.313 -6.743 {"}'P' P -12.874 1.381 -6.737 {"}'P' -12.869 1.392 -6.739 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 250 A}'M' greentint -9.655 2.473 -7.264 {"}'M' greentint -9.471 2.647 -7.256 {"}'M' greentint -9.767 2.472 -7.023 {"}'M' greentint -9.592 2.658 -7.015 {"}'M' greentint -9.384 2.808 -7.008 {"}'M' greentint -9.152 2.915 -7.003 {"}'M' greentint -9.889 2.369 -6.773 {"}'M' greentint -9.734 2.574 -6.764 {"}'M' greentint -9.544 2.747 -6.757 {"}'M' greentint -9.325 2.882 -6.751 {"}'M' greentint -9.085 2.975 -6.747 {"}'M' greentint -9.894 2.351 -6.515 {"}'M' greentint -9.74 2.557 -6.506 {"}'M' greentint -9.551 2.731 -6.499 {"}'M' greentint -9.333 2.867 -6.493 {"}'M' greentint -9.093 2.962 -6.489 {"}'M' greentint -9.901 2.23 -6.266 {"}'M' greentint -9.762 2.445 -6.257 {"}'M' greentint -9.586 2.63 -6.249 {"}'M' greentint -9.377 2.778 -6.242 {"}'M' greentint -9.144 2.885 -6.238 {"}'M' greentint -9.66 2.412 -6.017 {"}'M' greentint -9.477 2.588 -6.01 {"}'M' greentint -9.263 2.723 -6.004 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 259 A}'M' greentint -9.201 2.701 -7.11 {"}'M' greentint -9.375 2.511 -7.118 {"}'M' greentint -9.597 2.379 -7.124 {"}'M' greentint -8.988 2.922 -6.858 {"}'M' greentint -9.084 2.689 -6.869 {"}'M' greentint -9.238 2.489 -6.877 {"}'M' greentint -9.438 2.336 -6.884 {"}'M' greentint -9.671 2.239 -6.888 {"}'M' greentint -9.921 2.206 -6.89 {"}'M' greentint -8.95 2.919 -6.6 {"}'M' greentint -9.041 2.686 -6.61 {"}'M' greentint -9.187 2.482 -6.619 {"}'M' greentint -9.378 2.321 -6.626 {"}'M' greentint -9.604 2.212 -6.63 {"}'M' greentint -9.85 2.163 -6.633 {"}'M' greentint -8.988 2.899 -6.341 {"}'M' greentint -9.084 2.666 -6.351 {"}'M' greentint -9.238 2.466 -6.36 {"}'M' greentint -9.438 2.313 -6.367 {"}'M' greentint -9.671 2.217 -6.371 {"}'M' greentint -9.921 2.184 -6.373 {"}'M' greentint -9.201 2.658 -6.11 {"}'M' greentint -9.375 2.467 -6.119 {"}'M' greentint -9.597 2.336 -6.125 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 250 A}'M' green -10.078 1.38 -5.153 {"}'M' green -9.878 1.543 -5.146 {"}'M' green -9.688 1.719 -4.897 {"}'M' green -10.371 1.014 -4.41 {"}'M' green -9.639 1.596 -4.143 {"}'M' green -9.864 1.309 -3.948 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 250 A}'M' greentint -10.275 1.27 -4.917 {"}'M' greentint -10.121 1.47 -4.908 {"}'M' greentint -9.921 1.623 -4.901 {"}'M' greentint -10.371 1.136 -4.663 {"}'M' greentint -10.252 1.357 -4.654 {"}'M' greentint -10.082 1.541 -4.646 {"}'M' greentint -9.871 1.677 -4.64 {"}'M' greentint -9.633 1.756 -4.636 {"}'M' greentint -10.275 1.247 -4.399 {"}'M' greentint -10.121 1.447 -4.391 {"}'M' greentint -9.921 1.6 -4.384 {"}'M' greentint -9.688 1.697 -4.38 {"}'M' greentint -10.222 1.122 -4.163 {"}'M' greentint -10.078 1.337 -4.154 {"}'M' greentint -9.878 1.499 -4.147 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 259 A}'M' green -10.381 1.202 -5.007 {"}'M' green -9.563 1.873 -4.736 {"}'M' green -10.491 1.06 -4.772 {"}'M' green -9.516 1.852 -4.483 {"}'M' green -10.435 1.015 -4.52 {"}'M' green -10.427 1.006 -4.261 {"}'M' green -9.683 1.605 -3.981 {"}'M' green -9.841 1.404 -3.99 {"}'M' green -10.035 1.236 -3.997 {"}'M' green -10.257 1.109 -4.003 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 259 A}'M' greentint -9.787 1.661 -4.987 {"}'M' greentint -9.953 1.469 -4.995 {"}'M' greentint -10.153 1.314 -5.002 {"}'M' greentint -9.679 1.645 -4.746 {"}'M' greentint -9.836 1.443 -4.755 {"}'M' greentint -10.028 1.275 -4.762 {"}'M' greentint -10.249 1.145 -4.768 {"}'M' greentint -9.631 1.621 -4.493 {"}'M' greentint -9.786 1.416 -4.502 {"}'M' greentint -9.976 1.243 -4.51 {"}'M' greentint -10.195 1.108 -4.515 {"}'M' greentint -9.626 1.617 -4.235 {"}'M' greentint -9.78 1.411 -4.244 {"}'M' greentint -9.969 1.237 -4.251 {"}'M' greentint -10.187 1.1 -4.257 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n met A 12 2h5oA_14F_33G}P -12.048 -2.022 0.918 {"}-12.048 -2.022 0.918 { ca met A 12 2h5oA_14F_33G}-10.857 -2.213 0.07 { c met A 12 2h5oA_14F_33G}-10.792 -1.093 -0.949 { o met A 12 2h5oA_14F_33G}-11.832 -0.673 -1.496 { c met A 12 2h5oA_14F_33G}P -10.792 -1.093 -0.949 { n arg A 13 2h5oA_14F_33G}-9.578 -0.648 -1.24 { ca arg A 13 2h5oA_14F_33G}-9.271 0.311 -2.278 { c arg A 13 2h5oA_14F_33G}-8.63 -0.384 -3.465 { o arg A 13 2h5oA_14F_33G}-8.062 -1.459 -3.36 { c arg A 13 2h5oA_14F_33G}P -8.63 -0.384 -3.465 { n phe A 14 2h5oA_14F_33G}-8.685 0.309 -4.595 { ca phe A 14 2h5oA_14F_33G}-7.993 -0.152 -5.806 { c phe A 14 2h5oA_14F_33G}-7.427 1.011 -6.573 { o phe A 14 2h5oA_14F_33G}-7.885 2.16 -6.472 { c phe A 14 2h5oA_14F_33G}P -7.427 1.011 -6.573 { n lys A 15 2h5oA_14F_33G}-6.477 0.692 -7.448 { ca lys A 15 2h5oA_14F_33G}-5.946 1.572 -8.461 { c lys A 15 2h5oA_14F_33G}-6.119 0.905 -9.831 { o lys A 15 2h5oA_14F_33G}-5.974 -0.301 -9.913 { c lys A 15 2h5oA_14F_33G}P -6.119 0.905 -9.831 { n val A 16 2h5oA_14F_33G}-6.368 1.709 -10.836 { ca val A 16 2h5oA_14F_33G}-6.547 1.195 -12.194 { c val A 16 2h5oA_14F_33G}-5.858 2.072 -13.198 { o val A 16 2h5oA_14F_33G}-5.826 3.303 -13.078 { n gly A 31 2h5oA_14F_33G}P -7.091 5.788 -12.52 {"}-7.091 5.788 -12.52 { ca gly A 31 2h5oA_14F_33G}-8.111 6.104 -11.505 { c gly A 31 2h5oA_14F_33G}-7.86 5.316 -10.231 { o gly A 31 2h5oA_14F_33G}-6.92 4.547 -10.057 { c gly A 31 2h5oA_14F_33G}P -7.86 5.316 -10.231 { n glu A 32 2h5oA_14F_33G}-8.777 5.556 -9.335 { ca glu A 32 2h5oA_14F_33G}-8.759 4.937 -8 { c glu A 32 2h5oA_14F_33G}-10.197 4.64 -7.615 { o glu A 32 2h5oA_14F_33G}-11.12 5.336 -8.047 { c glu A 32 2h5oA_14F_33G}P -10.197 4.64 -7.615 { n gly A 33 2h5oA_14F_33G}-10.4 3.677 -6.769 { ca gly A 33 2h5oA_14F_33G}-11.726 3.317 -6.327 { c gly A 33 2h5oA_14F_33G}-11.695 2.7 -4.961 { o gly A 33 2h5oA_14F_33G}-10.641 2.462 -4.353 { c gly A 33 2h5oA_14F_33G}P -11.695 2.7 -4.961 { n glu A 34 2h5oA_14F_33G}-12.884 2.461 -4.429 { ca glu A 34 2h5oA_14F_33G}-13.026 1.847 -3.101 { c glu A 34 2h5oA_14F_33G}-14.409 1.28 -3.017 { o glu A 34 2h5oA_14F_33G}-15.299 1.627 -3.742 { c glu A 34 2h5oA_14F_33G}P -14.409 1.28 -3.017 { n gly A 35 2h5oA_14F_33G}-14.604 0.429 -2.036 { ca gly A 35 2h5oA_14F_33G}-15.91 -0.177 -1.845 { c gly A 35 2h5oA_14F_33G}-15.855 -1.211 -0.761 { o gly A 35 2h5oA_14F_33G}-14.849 -1.35 -0.042 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n met A 12 2h5oA_14F_33G}P -12.048 -2.022 0.918 { ca met A 12 2h5oA_14F_33G}P -10.857 -2.213 0.07 { n arg A 13 2h5oA_14F_33G}P -9.578 -0.648 -1.24 { ca arg A 13 2h5oA_14F_33G}P -9.271 0.311 -2.278 { n phe A 14 2h5oA_14F_33G}P -8.685 0.309 -4.595 { ca phe A 14 2h5oA_14F_33G}P -7.993 -0.152 -5.806 { n lys A 15 2h5oA_14F_33G}P -6.477 0.692 -7.448 { ca lys A 15 2h5oA_14F_33G}P -5.946 1.572 -8.461 { n val A 16 2h5oA_14F_33G}P -6.368 1.709 -10.836 { ca val A 16 2h5oA_14F_33G}P -6.547 1.195 -12.194 { n gly A 31 2h5oA_14F_33G}P -7.091 5.788 -12.52 { ca gly A 31 2h5oA_14F_33G}P -8.111 6.104 -11.505 {"}P -8.111 6.104 -11.505 { n glu A 32 2h5oA_14F_33G}P -8.777 5.556 -9.335 { ca glu A 32 2h5oA_14F_33G}P -8.759 4.937 -8 { n gly A 33 2h5oA_14F_33G}P -10.4 3.677 -6.769 { ca gly A 33 2h5oA_14F_33G}P -11.726 3.317 -6.327 {"}P -11.726 3.317 -6.327 { n glu A 34 2h5oA_14F_33G}P -12.884 2.461 -4.429 { ca glu A 34 2h5oA_14F_33G}P -13.026 1.847 -3.101 { n gly A 35 2h5oA_14F_33G}P -14.604 0.429 -2.036 { ca gly A 35 2h5oA_14F_33G}P -15.91 -0.177 -1.845 {"}P -15.91 -0.177 -1.845 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca met A 12 2h5oA_14F_33G}P -10.857 -2.213 0.07 {"}-10.857 -2.213 0.07 { ca arg A 13 2h5oA_14F_33G}-9.271 0.311 -2.278 { ca phe A 14 2h5oA_14F_33G}-7.993 -0.152 -5.806 { ca lys A 15 2h5oA_14F_33G}-5.946 1.572 -8.461 { ca val A 16 2h5oA_14F_33G}-6.547 1.195 -12.194 { ca gly A 31 2h5oA_14F_33G}P -8.111 6.104 -11.505 {"}-8.111 6.104 -11.505 { ca glu A 32 2h5oA_14F_33G}-8.759 4.937 -8 { ca gly A 33 2h5oA_14F_33G}-11.726 3.317 -6.327 { ca glu A 34 2h5oA_14F_33G}-13.026 1.847 -3.101 { ca gly A 35 2h5oA_14F_33G}-15.91 -0.177 -1.845 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca met A 12 2h5oA_14F_33G}P -10.857 -2.213 0.07 { ca arg A 13 2h5oA_14F_33G}P -9.271 0.311 -2.278 { ca phe A 14 2h5oA_14F_33G}P -7.993 -0.152 -5.806 { cb phe A 14 2h5oA_14F_33G}-8.892 -1.001 -6.7 { cg phe A 14 2h5oA_14F_33G}-10.072 -0.344 -7.41 { cd1 phe A 14 2h5oA_14F_33G}-9.89 0.352 -8.601 { ce1 phe A 14 2h5oA_14F_33G}-10.944 0.864 -9.291 { cz phe A 14 2h5oA_14F_33G}-12.232 0.71 -8.84 { cg phe A 14 2h5oA_14F_33G}P -10.072 -0.344 -7.41 { cd2 phe A 14 2h5oA_14F_33G}-11.358 -0.463 -6.893 { ce2 phe A 14 2h5oA_14F_33G}-12.429 0.046 -7.62 { cz phe A 14 2h5oA_14F_33G}ghost -12.232 0.71 -8.84 { ca lys A 15 2h5oA_14F_33G}P -5.946 1.572 -8.461 { ca val A 16 2h5oA_14F_33G}P -6.547 1.195 -12.194 { ca glu A 32 2h5oA_14F_33G}P -8.759 4.937 -8 { ca glu A 34 2h5oA_14F_33G}P -13.026 1.847 -3.101 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 14 2h5oA_14F_33G}P -8.892 -1.001 -6.7 {"}P -8.892 -1.001 -6.7 { cd1 phe A 14 2h5oA_14F_33G}P -9.89 0.352 -8.601 { cd2 phe A 14 2h5oA_14F_33G}P -11.358 -0.463 -6.893 { ce1 phe A 14 2h5oA_14F_33G}P -10.944 0.864 -9.291 { ce2 phe A 14 2h5oA_14F_33G}P -12.429 0.046 -7.62 { cz phe A 14 2h5oA_14F_33G}P -12.232 0.71 -8.84 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 14 2h5oA_14F_33G}P -7.993 -0.152 -5.806 { cb phe A 14 2h5oA_14F_33G}-8.892 -1.001 -6.7 { cg phe A 14 2h5oA_14F_33G}-10.072 -0.344 -7.41 { cd1 phe A 14 2h5oA_14F_33G}-9.89 0.352 -8.601 { ce1 phe A 14 2h5oA_14F_33G}-10.944 0.864 -9.291 { cz phe A 14 2h5oA_14F_33G}-12.232 0.71 -8.84 { cg phe A 14 2h5oA_14F_33G}P -10.072 -0.344 -7.41 { cd2 phe A 14 2h5oA_14F_33G}-11.358 -0.463 -6.893 { ce2 phe A 14 2h5oA_14F_33G}-12.429 0.046 -7.62 { cz phe A 14 2h5oA_14F_33G}ghost -12.232 0.71 -8.84 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 14 2h5oA_14F_33G}P -8.892 -1.001 -6.7 {"}P -8.892 -1.001 -6.7 { cd1 phe A 14 2h5oA_14F_33G}P -9.89 0.352 -8.601 { cd2 phe A 14 2h5oA_14F_33G}P -11.358 -0.463 -6.893 { ce1 phe A 14 2h5oA_14F_33G}P -10.944 0.864 -9.291 { ce2 phe A 14 2h5oA_14F_33G}P -12.429 0.046 -7.62 { cz phe A 14 2h5oA_14F_33G}P -12.232 0.71 -8.84 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 14 A}'P' blue -11.388 2.274 -8.354 {"}'P' sky -11.399 2.105 -8.145 {"}'P' blue -11.147 2.168 -8.142 {"}'P' blue -11.137 1.982 -7.958 {"}'P' sky -11.207 1.75 -7.805 @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 PHE 14 A}'P' green -11.564 1.554 -7.423 {"}'P' green -12.881 1.673 -7.159 {"}'P' green -11.614 1.526 -7.166 {"}'P' green -12.94 1.563 -6.914 {"}'P' green -11.697 1.472 -6.918 {"}'P' green -12.622 1.51 -6.68 {"}'P' green -12.11 1.488 -6.681 {"}'P' green -11.864 1.413 -6.684 { CZ PHE 14 A}'P' green -12.743 2.227 -8.134 {"}'P' green -12.495 2.288 -8.131 {"}'P' green -11.736 2.232 -8.134 {"}'P' green -12.914 2.024 -7.907 {"}'P' green -12.923 1.842 -7.698 {"}'P' green -11.445 1.781 -7.701 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 PHE 14 A}'P' P -12.825 1.738 -7.415 {"}'P' -12.823 1.729 -7.416 {"}'P' P -12.568 1.778 -7.413 {"}'P' -12.561 1.691 -7.424 {"}'P' P -12.307 1.779 -7.413 {"}'P' -12.316 1.656 -7.428 {"}'P' P -12.049 1.742 -7.415 {"}'P' -12.072 1.638 -7.428 {"}'P' P -11.799 1.666 -7.418 {"}'P' -11.814 1.627 -7.423 {"}'P' P -12.625 1.722 -7.157 {"}'P' -12.615 1.643 -7.179 {"}'P' P -12.364 1.732 -7.157 {"}'P' -12.369 1.606 -7.191 {"}'P' P -12.104 1.702 -7.158 {"}'P' -12.127 1.584 -7.191 {"}'P' P -11.852 1.633 -7.161 {"}'P' -11.874 1.573 -7.178 {"}'P' P -12.692 1.624 -6.911 {"}'P' -12.688 1.603 -6.921 {"}'P' P -12.437 1.646 -6.91 {"}'P' -12.437 1.572 -6.943 {"}'P' P -12.182 1.627 -6.911 {"}'P' -12.195 1.547 -6.947 {"}'P' P -11.933 1.568 -6.914 {"}'P' -11.946 1.529 -6.932 {"}'P' P -12.365 1.521 -6.68 {"}'P' -12.365 1.519 -6.681 { CZ PHE 14 A}'P' P -12.24 2.31 -8.13 {"}'P' -12.24 2.292 -8.138 {"}'P' P -11.985 2.291 -8.131 {"}'P' -11.986 2.283 -8.135 {"}'P' P -12.676 2.12 -7.903 {"}'P' -12.668 2.096 -7.918 {"}'P' P -12.425 2.174 -7.9 {"}'P' -12.415 2.101 -7.947 {"}'P' P -12.168 2.185 -7.9 {"}'P' -12.172 2.096 -7.956 {"}'P' P -11.913 2.152 -7.901 {"}'P' -11.927 2.086 -7.944 {"}'P' P -11.667 2.077 -7.904 {"}'P' -11.672 2.063 -7.914 {"}'P' P -12.687 1.951 -7.694 {"}'P' -12.673 1.913 -7.729 {"}'P' P -12.435 2.014 -7.691 {"}'P' -12.42 1.921 -7.773 {"}'P' P -12.175 2.028 -7.69 {"}'P' -12.18 1.916 -7.788 {"}'P' P -11.917 1.993 -7.692 {"}'P' -11.939 1.906 -7.769 {"}'P' P -11.671 1.909 -7.695 {"}'P' -11.685 1.88 -7.723 {"}'P' P -12.425 1.828 -7.507 {"}'P' -12.412 1.756 -7.592 {"}'P' P -12.168 1.841 -7.507 {"}'P' -12.173 1.754 -7.609 {"}'P' P -11.914 1.8 -7.508 {"}'P' -11.932 1.738 -7.583 {"}'P' P -11.674 1.705 -7.513 {"}'P' -11.679 1.696 -7.524 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 33 A}'P' blue -11.242 2.145 -7.57 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 33 A}'P' green -11.616 2.183 -7.975 {"}'P' green -12.734 2.183 -7.975 {"}'P' green -11.57 1.959 -7.8 {"}'P' green -11.576 1.767 -7.586 {"}'P' green -11.673 1.6 -7.346 {"}'P' green -12.88 1.727 -7.34 {"}'P' green -11.627 1.579 -7.086 {"}'P' green -12.048 1.544 -6.579 {"}'P' green -12.302 1.544 -6.579 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 33 A}'P' P -11.914 2.223 -8.113 {"}'P' -11.919 2.23 -8.094 {"}'P' P -12.167 2.151 -8.116 {"}'P' -12.167 2.178 -8.054 {"}'P' P -12.421 2.215 -8.113 {"}'P' -12.414 2.226 -8.082 {"}'P' P -11.81 2.021 -7.982 {"}'P' -11.83 2.053 -7.931 {"}'P' P -12.048 1.934 -7.986 {"}'P' -12.062 2.006 -7.887 {"}'P' P -12.302 1.934 -7.986 {"}'P' -12.288 2.008 -7.883 {"}'P' P -12.54 2.021 -7.982 {"}'P' -12.516 2.06 -7.921 {"}'P' P -11.787 1.816 -7.806 {"}'P' -11.816 1.875 -7.75 {"}'P' P -12.037 1.74 -7.809 {"}'P' -12.053 1.845 -7.717 {"}'P' P -12.297 1.738 -7.809 {"}'P' -12.282 1.847 -7.713 {"}'P' P -12.547 1.809 -7.806 {"}'P' -12.514 1.881 -7.738 {"}'P' P -12.768 1.948 -7.8 {"}'P' -12.756 1.961 -7.785 {"}'P' P -11.801 1.649 -7.591 {"}'P' -11.822 1.702 -7.561 {"}'P' P -12.048 1.589 -7.594 {"}'P' -12.06 1.682 -7.543 {"}'P' P -12.302 1.589 -7.594 {"}'P' -12.29 1.686 -7.541 {"}'P' P -12.549 1.649 -7.591 {"}'P' -12.524 1.713 -7.555 {"}'P' P -12.774 1.767 -7.586 {"}'P' -12.768 1.776 -7.581 {"}'P' P -11.913 1.514 -7.35 {"}'P' -11.932 1.594 -7.327 {"}'P' P -12.167 1.484 -7.351 {"}'P' -12.168 1.611 -7.316 {"}'P' P -12.421 1.511 -7.35 {"}'P' -12.393 1.633 -7.315 {"}'P' P -12.663 1.593 -7.346 {"}'P' -12.629 1.663 -7.325 {"}'P' P -11.862 1.486 -7.09 {"}'P' -11.877 1.541 -7.088 {"}'P' P -12.112 1.445 -7.092 {"}'P' -12.118 1.555 -7.087 {"}'P' P -12.364 1.459 -7.091 {"}'P' -12.345 1.577 -7.086 {"}'P' P -12.608 1.526 -7.088 {"}'P' -12.577 1.604 -7.085 {"}'P' P -12.832 1.645 -7.083 {"}'P' -12.827 1.651 -7.083 {"}'P' P -11.913 1.491 -6.829 {"}'P' -11.916 1.503 -6.831 {"}'P' P -12.167 1.461 -6.831 {"}'P' -12.167 1.514 -6.84 {"}'P' P -12.421 1.488 -6.829 {"}'P' -12.41 1.539 -6.839 {"}'P' P -12.663 1.57 -6.826 {"}'P' -12.659 1.577 -6.827 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 14 A}'M' green -8.981 2.795 -7.069 {"}'M' green -9.226 2.296 -6.85 {"}'M' green -8.773 3.188 -6.811 {"}'M' green -9.279 2.146 -6.343 {"}'M' green -9.225 2.271 -6.084 {"}'M' green -9.083 2.5 -5.833 {"}'M' green -8.841 2.942 -5.813 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 14 A}'M' greentint -9.179 2.548 -6.839 {"}'M' greentint -9.086 2.786 -6.828 {"}'M' greentint -8.948 3.002 -6.819 {"}'M' greentint -9.255 2.422 -6.59 {"}'M' greentint -9.185 2.669 -6.579 {"}'M' greentint -9.07 2.899 -6.569 {"}'M' greentint -8.915 3.104 -6.56 {"}'M' greentint -8.725 3.277 -6.553 {"}'M' greentint -9.257 2.402 -6.332 {"}'M' greentint -9.188 2.65 -6.321 {"}'M' greentint -9.075 2.881 -6.311 {"}'M' greentint -8.921 3.087 -6.302 {"}'M' greentint -8.732 3.261 -6.295 {"}'M' greentint -9.177 2.522 -6.073 {"}'M' greentint -9.082 2.76 -6.062 {"}'M' greentint -8.943 2.975 -6.053 {"}'M' greentint -8.767 3.16 -6.045 {"}'M' greentint -8.985 2.733 -5.822 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 33 A}'M' green -8.804 3.154 -6.867 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 33 A}'M' greentint -8.84 2.899 -6.878 {"}'M' greentint -8.95 2.665 -6.889 {"}'M' greentint -9.124 2.475 -6.897 {"}'M' greentint -8.737 2.886 -6.637 {"}'M' greentint -8.833 2.653 -6.648 {"}'M' greentint -8.987 2.453 -6.656 {"}'M' greentint -9.187 2.3 -6.663 {"}'M' greentint -8.704 3.135 -6.627 {"}'M' greentint -8.699 2.883 -6.379 {"}'M' greentint -8.79 2.65 -6.389 {"}'M' greentint -8.936 2.446 -6.398 {"}'M' greentint -9.127 2.285 -6.405 {"}'M' greentint -8.67 3.132 -6.368 {"}'M' greentint -8.737 2.863 -6.12 {"}'M' greentint -8.833 2.63 -6.13 {"}'M' greentint -8.987 2.43 -6.139 {"}'M' greentint -9.187 2.277 -6.146 {"}'M' greentint -8.704 3.113 -6.109 {"}'M' greentint -8.84 2.855 -5.879 {"}'M' greentint -8.95 2.622 -5.889 {"}'M' greentint -9.124 2.431 -5.898 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 14 A}'M' greentint -9.824 1.772 -5.177 {"}'M' greentint -10.117 1.429 -4.951 {"}'M' greentint -10.021 1.662 -4.941 {"}'M' greentint -9.867 1.862 -4.932 {"}'M' greentint -9.667 2.015 -4.925 {"}'M' greentint -9.434 2.111 -4.921 {"}'M' greentint -10.177 1.285 -4.698 {"}'M' greentint -10.117 1.528 -4.687 {"}'M' greentint -9.998 1.749 -4.678 {"}'M' greentint -9.828 1.933 -4.67 {"}'M' greentint -9.617 2.069 -4.664 {"}'M' greentint -9.379 2.148 -4.66 {"}'M' greentint -10.15 1.157 -4.444 {"}'M' greentint -10.117 1.406 -4.434 {"}'M' greentint -10.021 1.639 -4.423 {"}'M' greentint -9.867 1.839 -4.415 {"}'M' greentint -9.667 1.992 -4.408 {"}'M' greentint -9.434 2.089 -4.404 {"}'M' greentint -10.042 1.267 -4.198 {"}'M' greentint -9.968 1.514 -4.187 {"}'M' greentint -9.824 1.729 -4.178 {"}'M' greentint -9.624 1.891 -4.171 {"}'M' greentint -9.385 1.988 -4.167 {"}'M' greentint -9.785 1.509 -3.98 {"}'M' greentint -9.61 1.701 -3.972 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 33 A}'M' green -9.78 1.788 -5.227 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 33 A}'M' greentint -9.489 1.995 -4.998 {"}'M' greentint -9.612 1.774 -5.008 {"}'M' greentint -9.778 1.582 -5.016 {"}'M' greentint -9.978 1.427 -5.023 {"}'M' greentint -9.388 1.986 -4.757 {"}'M' greentint -9.504 1.758 -4.767 {"}'M' greentint -9.661 1.556 -4.776 {"}'M' greentint -9.853 1.388 -4.783 {"}'M' greentint -10.074 1.258 -4.789 {"}'M' greentint -9.341 1.965 -4.504 {"}'M' greentint -9.456 1.734 -4.514 {"}'M' greentint -9.611 1.529 -4.523 {"}'M' greentint -9.801 1.356 -4.531 {"}'M' greentint -10.02 1.221 -4.536 {"}'M' greentint -9.338 1.961 -4.246 {"}'M' greentint -9.451 1.73 -4.256 {"}'M' greentint -9.605 1.524 -4.265 {"}'M' greentint -9.794 1.35 -4.272 {"}'M' greentint -10.012 1.213 -4.278 {"}'M' greentint -9.508 1.718 -4.002 {"}'M' greentint -9.666 1.517 -4.011 {"}'M' greentint -9.86 1.349 -4.018 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n val A 91 2imjA_93Y_109G}P -12.241 -2.393 0.466 {"}-12.241 -2.393 0.466 { ca val A 91 2imjA_93Y_109G}-11.076 -2.419 -0.41 { c val A 91 2imjA_93Y_109G}-10.753 -1.102 -1.103 { o val A 91 2imjA_93Y_109G}-11.655 -0.378 -1.526 { c val A 91 2imjA_93Y_109G}P -10.753 -1.102 -1.103 { n arg A 92 2imjA_93Y_109G}-9.46 -0.802 -1.219 { ca arg A 92 2imjA_93Y_109G}-8.985 0.387 -1.923 { c arg A 92 2imjA_93Y_109G}-8.341 -0.157 -3.186 { o arg A 92 2imjA_93Y_109G}-7.791 -1.259 -3.178 { c arg A 92 2imjA_93Y_109G}P -8.341 -0.157 -3.186 { n tyr A 93 2imjA_93Y_109G}-8.407 0.592 -4.275 { ca tyr A 93 2imjA_93Y_109G}-7.791 0.119 -5.5 { c tyr A 93 2imjA_93Y_109G}-7.53 1.218 -6.501 { o tyr A 93 2imjA_93Y_109G}-7.971 2.357 -6.34 { c tyr A 93 2imjA_93Y_109G}P -7.53 1.218 -6.501 { n ala A 94 2imjA_93Y_109G}-6.78 0.861 -7.536 { ca ala A 94 2imjA_93Y_109G}-6.468 1.777 -8.612 { c ala A 94 2imjA_93Y_109G}-6.238 0.958 -9.865 { o ala A 94 2imjA_93Y_109G}-5.721 -0.16 -9.802 { c ala A 94 2imjA_93Y_109G}P -6.238 0.958 -9.865 { n tyr A 95 2imjA_93Y_109G}-6.668 1.493 -11 { ca tyr A 95 2imjA_93Y_109G}-6.445 0.824 -12.263 { c tyr A 95 2imjA_93Y_109G}-6.073 1.845 -13.321 { o tyr A 95 2imjA_93Y_109G}-6.596 2.961 -13.341 { n ser A 107 2imjA_93Y_109G}P -7.498 5.413 -12.441 {"}-7.498 5.413 -12.441 { ca ser A 107 2imjA_93Y_109G}-8.76 5.483 -11.733 { c ser A 107 2imjA_93Y_109G}-8.549 5.002 -10.308 { o ser A 107 2imjA_93Y_109G}-7.918 3.968 -10.073 { c ser A 107 2imjA_93Y_109G}P -8.549 5.002 -10.308 { n tyr A 108 2imjA_93Y_109G}-9.056 5.781 -9.36 { ca tyr A 108 2imjA_93Y_109G}-8.936 5.456 -7.949 { c tyr A 108 2imjA_93Y_109G}-10.291 5 -7.443 { o tyr A 108 2imjA_93Y_109G}-11.298 5.69 -7.63 { c tyr A 108 2imjA_93Y_109G}P -10.291 5 -7.443 { n gly A 109 2imjA_93Y_109G}-10.317 3.847 -6.791 { ca gly A 109 2imjA_93Y_109G}-11.576 3.342 -6.287 { c gly A 109 2imjA_93Y_109G}-11.576 2.852 -4.855 { o gly A 109 2imjA_93Y_109G}-10.533 2.55 -4.27 { c gly A 109 2imjA_93Y_109G}P -11.576 2.852 -4.855 { n asn A 110 2imjA_93Y_109G}-12.781 2.814 -4.295 { ca asn A 110 2imjA_93Y_109G}-13.048 2.315 -2.954 { c asn A 110 2imjA_93Y_109G}-14.261 1.424 -3.193 { o asn A 110 2imjA_93Y_109G}-15.297 1.904 -3.656 { c asn A 110 2imjA_93Y_109G}P -14.261 1.424 -3.193 { n glu A 111 2imjA_93Y_109G}-14.127 0.13 -2.921 { ca glu A 111 2imjA_93Y_109G}-15.241 -0.788 -3.103 { c glu A 111 2imjA_93Y_109G}-15.473 -1.548 -1.801 { o glu A 111 2imjA_93Y_109G}-14.526 -1.988 -1.14 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n val A 91 2imjA_93Y_109G}P -12.241 -2.393 0.466 { ca val A 91 2imjA_93Y_109G}P -11.076 -2.419 -0.41 { n arg A 92 2imjA_93Y_109G}P -9.46 -0.802 -1.219 { ca arg A 92 2imjA_93Y_109G}P -8.985 0.387 -1.923 { n tyr A 93 2imjA_93Y_109G}P -8.407 0.592 -4.275 { ca tyr A 93 2imjA_93Y_109G}P -7.791 0.119 -5.5 { n ala A 94 2imjA_93Y_109G}P -6.78 0.861 -7.536 { ca ala A 94 2imjA_93Y_109G}P -6.468 1.777 -8.612 { n tyr A 95 2imjA_93Y_109G}P -6.668 1.493 -11 { ca tyr A 95 2imjA_93Y_109G}P -6.445 0.824 -12.263 { n ser A 107 2imjA_93Y_109G}P -7.498 5.413 -12.441 { ca ser A 107 2imjA_93Y_109G}P -8.76 5.483 -11.733 { n tyr A 108 2imjA_93Y_109G}P -9.056 5.781 -9.36 { ca tyr A 108 2imjA_93Y_109G}P -8.936 5.456 -7.949 { n gly A 109 2imjA_93Y_109G}P -10.317 3.847 -6.791 { ca gly A 109 2imjA_93Y_109G}P -11.576 3.342 -6.287 {"}P -11.576 3.342 -6.287 { n asn A 110 2imjA_93Y_109G}P -12.781 2.814 -4.295 { ca asn A 110 2imjA_93Y_109G}P -13.048 2.315 -2.954 { n glu A 111 2imjA_93Y_109G}P -14.127 0.13 -2.921 { ca glu A 111 2imjA_93Y_109G}P -15.241 -0.788 -3.103 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca val A 91 2imjA_93Y_109G}P -11.076 -2.419 -0.41 {"}-11.076 -2.419 -0.41 { ca arg A 92 2imjA_93Y_109G}-8.985 0.387 -1.923 { ca tyr A 93 2imjA_93Y_109G}-7.791 0.119 -5.5 { ca ala A 94 2imjA_93Y_109G}-6.468 1.777 -8.612 { ca tyr A 95 2imjA_93Y_109G}-6.445 0.824 -12.263 { ca ser A 107 2imjA_93Y_109G}P -8.76 5.483 -11.733 {"}-8.76 5.483 -11.733 { ca tyr A 108 2imjA_93Y_109G}-8.936 5.456 -7.949 { ca gly A 109 2imjA_93Y_109G}-11.576 3.342 -6.287 { ca asn A 110 2imjA_93Y_109G}-13.048 2.315 -2.954 { ca glu A 111 2imjA_93Y_109G}-15.241 -0.788 -3.103 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca val A 91 2imjA_93Y_109G}P -11.076 -2.419 -0.41 { ca arg A 92 2imjA_93Y_109G}P -8.985 0.387 -1.923 { ca tyr A 93 2imjA_93Y_109G}P -7.791 0.119 -5.5 { cb tyr A 93 2imjA_93Y_109G}-8.645 -0.968 -6.162 { cg tyr A 93 2imjA_93Y_109G}-10.015 -0.542 -6.667 { cd1 tyr A 93 2imjA_93Y_109G}-11.116 -0.482 -5.807 { ce1 tyr A 93 2imjA_93Y_109G}-12.406 -0.243 -6.297 { cz tyr A 93 2imjA_93Y_109G}-12.593 -0.058 -7.661 { oh tyr A 93 2imjA_93Y_109G}-13.87 0.059 -8.169 { cg tyr A 93 2imjA_93Y_109G}P -10.015 -0.542 -6.667 { cd2 tyr A 93 2imjA_93Y_109G}-10.235 -0.327 -8.028 { ce2 tyr A 93 2imjA_93Y_109G}-11.513 -0.086 -8.524 { cz tyr A 93 2imjA_93Y_109G}ghost -12.593 -0.058 -7.661 { ca ala A 94 2imjA_93Y_109G}P -6.468 1.777 -8.612 { ca tyr A 95 2imjA_93Y_109G}P -6.445 0.824 -12.263 { ca ser A 107 2imjA_93Y_109G}P -8.76 5.483 -11.733 { ca tyr A 108 2imjA_93Y_109G}P -8.936 5.456 -7.949 { ca asn A 110 2imjA_93Y_109G}P -13.048 2.315 -2.954 { ca glu A 111 2imjA_93Y_109G}P -15.241 -0.788 -3.103 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 93 2imjA_93Y_109G}P -8.645 -0.968 -6.162 {"}P -8.645 -0.968 -6.162 { cd1 tyr A 93 2imjA_93Y_109G}P -11.116 -0.482 -5.807 { cd2 tyr A 93 2imjA_93Y_109G}P -10.235 -0.327 -8.028 { ce1 tyr A 93 2imjA_93Y_109G}P -12.406 -0.243 -6.297 { ce2 tyr A 93 2imjA_93Y_109G}P -11.513 -0.086 -8.524 { oh tyr A 93 2imjA_93Y_109G}P -13.87 0.059 -8.169 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 93 2imjA_93Y_109G}P -7.791 0.119 -5.5 { cb tyr A 93 2imjA_93Y_109G}-8.645 -0.968 -6.162 { cg tyr A 93 2imjA_93Y_109G}-10.015 -0.542 -6.667 { cd1 tyr A 93 2imjA_93Y_109G}-11.116 -0.482 -5.807 { ce1 tyr A 93 2imjA_93Y_109G}-12.406 -0.243 -6.297 { cz tyr A 93 2imjA_93Y_109G}-12.593 -0.058 -7.661 { oh tyr A 93 2imjA_93Y_109G}-13.87 0.059 -8.169 { cg tyr A 93 2imjA_93Y_109G}P -10.015 -0.542 -6.667 { cd2 tyr A 93 2imjA_93Y_109G}-10.235 -0.327 -8.028 { ce2 tyr A 93 2imjA_93Y_109G}-11.513 -0.086 -8.524 { cz tyr A 93 2imjA_93Y_109G}ghost -12.593 -0.058 -7.661 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 93 2imjA_93Y_109G}P -8.645 -0.968 -6.162 {"}P -8.645 -0.968 -6.162 { cd1 tyr A 93 2imjA_93Y_109G}P -11.116 -0.482 -5.807 { cd2 tyr A 93 2imjA_93Y_109G}P -10.235 -0.327 -8.028 { ce1 tyr A 93 2imjA_93Y_109G}P -12.406 -0.243 -6.297 { ce2 tyr A 93 2imjA_93Y_109G}P -11.513 -0.086 -8.524 { oh tyr A 93 2imjA_93Y_109G}P -13.87 0.059 -8.169 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 93 A}'P' sky -11.448 1.102 -6.878 {"}'P' sky -12.866 1.415 -6.614 {"}'P' sky -11.378 1.135 -6.627 {"}'P' sky -12.794 1.462 -6.353 {"}'P' sky -12.545 1.489 -6.09 { CE2 TYR 93 A}'P' sky -11.965 1.541 -8.063 {"}'P' sky -11.709 1.59 -8.061 {"}'P' sky -11.448 1.6 -8.061 {"}'P' sky -11.266 1.495 -7.815 {"}'P' sky -11.194 1.356 -7.585 {"}'P' blue -11.198 1.197 -7.376 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 93 A}'P' green -11.666 1.235 -6.872 {"}'P' green -12.61 1.466 -6.612 {"}'P' green -12.349 1.478 -6.612 {"}'P' green -11.837 1.381 -6.616 {"}'P' green -11.598 1.275 -6.62 {"}'P' sea -12.536 1.501 -6.352 {"}'P' green -12.276 1.501 -6.352 {"}'P' green -12.018 1.462 -6.353 {"}'P' green -11.768 1.386 -6.357 {"}'P' sea -11.533 1.273 -6.362 {"}'P' sea -12.284 1.49 -6.09 {"}'P' sea -12.026 1.453 -6.092 { CE2 TYR 93 A}'P' sea -11.776 1.492 -7.815 {"}'P' sea -11.521 1.514 -7.814 {"}'P' sea -11.449 1.389 -7.584 { CZ TYR 93 A}'P' sea -12.723 1.686 -7.716 {"}'P' green -12.463 1.686 -7.716 {"}'P' green -12.205 1.647 -7.717 {"}'P' green -11.955 1.571 -7.721 {"}'P' sea -11.72 1.458 -7.726 {"}'P' green -12.732 1.674 -7.454 {"}'P' green -11.728 1.45 -7.464 {"}'P' green -12.789 1.618 -7.198 {"}'P' green -11.559 1.281 -7.213 {"}'P' sea -12.856 1.52 -6.952 {"}'P' green -12.601 1.542 -6.951 {"}'P' green -11.642 1.236 -6.965 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 TYR 93 A}'P' P -12.089 1.449 -6.613 {"}'P' -12.093 1.43 -6.609 { CZ TYR 93 A}'P' P -12.471 1.675 -7.454 {"}'P' -12.472 1.661 -7.456 {"}'P' P -12.213 1.638 -7.456 {"}'P' -12.224 1.588 -7.462 {"}'P' P -11.963 1.562 -7.459 {"}'P' -11.978 1.525 -7.464 {"}'P' P -12.528 1.628 -7.198 {"}'P' -12.529 1.603 -7.205 {"}'P' P -12.268 1.598 -7.199 {"}'P' -12.282 1.528 -7.218 {"}'P' P -12.016 1.529 -7.202 {"}'P' -12.04 1.465 -7.221 {"}'P' P -11.778 1.422 -7.207 {"}'P' -11.787 1.406 -7.211 {"}'P' P -12.346 1.523 -6.952 {"}'P' -12.352 1.486 -6.969 {"}'P' P -12.097 1.464 -6.955 {"}'P' -12.112 1.421 -6.975 {"}'P' P -11.861 1.368 -6.959 {"}'P' -11.865 1.359 -6.963 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 109 A}'P' blue -11.535 1.924 -7.877 {"}'P' sky -11.773 1.837 -7.881 {"}'P' blue -11.295 1.862 -7.695 {"}'P' sky -11.301 1.67 -7.481 {"}'P' sky -11.398 1.48 -6.721 {"}'P' sky -12.689 1.795 -6.459 {"}'P' sky -12.493 1.787 -6.238 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 109 A}'P' sea -11.512 1.719 -7.701 {"}'P' green -11.762 1.643 -7.704 {"}'P' green -12.022 1.641 -7.704 {"}'P' green -12.272 1.712 -7.701 {"}'P' sea -12.493 1.851 -7.695 {"}'P' sea -11.526 1.552 -7.486 {"}'P' green -11.773 1.492 -7.489 {"}'P' sea -12.689 1.839 -7.474 {"}'P' green -11.638 1.417 -7.245 {"}'P' sea -12.787 1.809 -7.227 {"}'P' green -11.587 1.389 -6.985 {"}'P' sea -12.749 1.711 -6.971 {"}'P' green -11.638 1.394 -6.724 {"}'P' green -12.388 1.473 -6.721 {"}'P' sea -12.605 1.608 -6.715 {"}'P' sea -11.526 1.508 -6.472 {"}'P' green -11.773 1.447 -6.474 {"}'P' green -12.274 1.508 -6.472 {"}'P' green -12.499 1.626 -6.467 {"}'P' sea -11.762 1.58 -6.247 {"}'P' green -12.022 1.577 -6.247 {"}'P' green -12.272 1.648 -6.244 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 109 A}'P' P -12.027 1.492 -7.489 {"}'P' -12.022 1.532 -7.467 {"}'P' P -12.274 1.552 -7.486 {"}'P' -12.258 1.593 -7.463 {"}'P' P -12.499 1.67 -7.481 {"}'P' -12.496 1.674 -7.479 {"}'P' P -11.892 1.387 -7.246 {"}'P' -11.892 1.431 -7.234 {"}'P' P -12.146 1.414 -7.245 {"}'P' -12.129 1.487 -7.224 {"}'P' P -12.388 1.496 -7.241 {"}'P' -12.361 1.551 -7.225 {"}'P' P -12.605 1.63 -7.235 {"}'P' -12.602 1.634 -7.234 {"}'P' P -11.837 1.348 -6.987 {"}'P' -11.837 1.356 -6.987 {"}'P' P -12.089 1.362 -6.986 {"}'P' -12.081 1.411 -6.984 {"}'P' P -12.333 1.429 -6.983 {"}'P' -12.315 1.473 -6.981 {"}'P' P -12.557 1.548 -6.978 {"}'P' -12.555 1.55 -6.978 {"}'P' P -11.892 1.364 -6.726 {"}'P' -11.892 1.369 -6.726 {"}'P' P -12.146 1.391 -6.724 {"}'P' -12.142 1.411 -6.728 {"}'P' P -12.027 1.447 -6.474 {"}'P' -12.027 1.451 -6.476 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 93 A}'M' greentint -9.024 2.768 -7.167 {"}'M' greentint -8.909 3 -7.156 {"}'M' greentint -8.744 3.2 -7.148 {"}'M' greentint -9.218 2.511 -6.958 {"}'M' greentint -9.167 2.759 -6.947 {"}'M' greentint -9.067 2.992 -6.937 {"}'M' greentint -8.922 3.2 -6.928 {"}'M' greentint -8.738 3.374 -6.92 {"}'M' greentint -9.312 2.493 -6.718 {"}'M' greentint -9.265 2.745 -6.707 {"}'M' greentint -9.172 2.983 -6.696 {"}'M' greentint -9.034 3.199 -6.687 {"}'M' greentint -8.859 3.385 -6.679 {"}'M' greentint -8.651 3.535 -6.672 {"}'M' greentint -9.365 2.363 -6.469 {"}'M' greentint -9.341 2.619 -6.458 {"}'M' greentint -9.271 2.866 -6.447 {"}'M' greentint -9.156 3.096 -6.437 {"}'M' greentint -9.001 3.301 -6.428 {"}'M' greentint -8.811 3.474 -6.421 {"}'M' greentint -9.343 2.599 -6.2 {"}'M' greentint -9.274 2.847 -6.189 {"}'M' greentint -9.161 3.078 -6.179 {"}'M' greentint -9.007 3.284 -6.17 {"}'M' greentint -8.818 3.458 -6.163 {"}'M' greentint -9.263 2.719 -5.941 {"}'M' greentint -9.168 2.957 -5.93 {"}'M' greentint -9.029 3.172 -5.921 {"}'M' greentint -8.853 3.357 -5.913 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 109 A}'M' greentint -8.69 3.048 -7.117 {"}'M' greentint -8.8 2.814 -7.128 {"}'M' greentint -8.974 2.624 -7.136 {"}'M' greentint -8.654 3.303 -7.106 {"}'M' greentint -8.587 3.035 -6.876 {"}'M' greentint -8.683 2.802 -6.887 {"}'M' greentint -8.837 2.602 -6.895 {"}'M' greentint -9.037 2.449 -6.902 {"}'M' greentint -8.554 3.284 -6.866 {"}'M' greentint -8.549 3.032 -6.618 {"}'M' greentint -8.64 2.799 -6.628 {"}'M' greentint -8.786 2.595 -6.637 {"}'M' greentint -8.977 2.434 -6.644 {"}'M' greentint -9.203 2.325 -6.648 {"}'M' greentint -8.553 3.529 -6.596 {"}'M' greentint -8.52 3.281 -6.607 {"}'M' greentint -8.587 3.012 -6.359 {"}'M' greentint -8.683 2.779 -6.369 {"}'M' greentint -8.837 2.579 -6.378 {"}'M' greentint -9.037 2.426 -6.385 {"}'M' greentint -9.27 2.33 -6.389 {"}'M' greentint -8.587 3.511 -6.338 {"}'M' greentint -8.554 3.262 -6.348 {"}'M' greentint -8.69 3.004 -6.118 {"}'M' greentint -8.8 2.771 -6.128 {"}'M' greentint -8.974 2.58 -6.137 {"}'M' greentint -9.196 2.449 -6.143 {"}'M' greentint -8.695 3.514 -6.096 {"}'M' greentint -8.654 3.259 -6.107 {"}'M' greentint -8.861 2.987 -5.912 {"}'M' greentint -8.997 2.766 -5.921 {"}'M' greentint -9.205 2.61 -5.928 {"}'M' greentint -8.813 3.242 -5.901 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 93 A}'M' greentint -9.714 1.626 -4.828 {"}'M' greentint -9.64 1.873 -4.817 {"}'M' greentint -9.496 2.087 -4.808 {"}'M' greentint -9.296 2.25 -4.801 {"}'M' greentint -9.822 1.494 -4.593 {"}'M' greentint -9.789 1.744 -4.582 {"}'M' greentint -9.693 1.977 -4.572 {"}'M' greentint -9.539 2.177 -4.563 {"}'M' greentint -9.339 2.33 -4.556 {"}'M' greentint -9.847 1.35 -4.34 {"}'M' greentint -9.849 1.6 -4.329 {"}'M' greentint -9.789 1.843 -4.318 {"}'M' greentint -9.67 2.064 -4.309 {"}'M' greentint -9.5 2.248 -4.301 {"}'M' greentint -9.289 2.384 -4.295 {"}'M' greentint -9.822 1.472 -4.075 {"}'M' greentint -9.789 1.721 -4.065 {"}'M' greentint -9.693 1.954 -4.054 {"}'M' greentint -9.539 2.154 -4.046 {"}'M' greentint -9.339 2.307 -4.039 {"}'M' greentint -9.714 1.582 -3.829 {"}'M' greentint -9.64 1.829 -3.818 {"}'M' greentint -9.496 2.044 -3.809 {"}'M' greentint -9.296 2.206 -3.802 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 109 A}'M' green -9.378 2.036 -3.668 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 109 A}'M' greentint -9.381 2.083 -4.915 {"}'M' greentint -9.504 1.862 -4.925 {"}'M' greentint -9.209 2.32 -4.664 {"}'M' greentint -9.28 2.074 -4.674 {"}'M' greentint -9.396 1.846 -4.684 {"}'M' greentint -9.553 1.644 -4.693 {"}'M' greentint -9.745 1.476 -4.7 {"}'M' greentint -9.163 2.3 -4.41 {"}'M' greentint -9.233 2.053 -4.421 {"}'M' greentint -9.348 1.822 -4.431 {"}'M' greentint -9.503 1.617 -4.44 {"}'M' greentint -9.693 1.444 -4.448 {"}'M' greentint -9.161 2.297 -4.152 {"}'M' greentint -9.23 2.049 -4.163 {"}'M' greentint -9.343 1.818 -4.173 {"}'M' greentint -9.497 1.612 -4.182 {"}'M' greentint -9.686 1.438 -4.189 {"}'M' greentint -9.211 2.279 -3.898 {"}'M' greentint -9.283 2.033 -3.909 {"}'M' greentint -9.4 1.806 -3.919 {"}'M' greentint -9.558 1.605 -3.928 {"}'M' greentint -9.752 1.437 -3.935 {"}'M' greentint -9.5 1.814 -3.677 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n gly A 65 2o1qA_67Y_93G}P -11.956 -2.006 0.773 {"}-11.956 -2.006 0.773 { ca gly A 65 2o1qA_67Y_93G}-10.927 -2.261 -0.209 { c gly A 65 2o1qA_67Y_93G}-10.714 -1.032 -1.037 { o gly A 65 2o1qA_67Y_93G}-11.621 -0.234 -1.2 { c gly A 65 2o1qA_67Y_93G}P -10.714 -1.032 -1.037 { n glu A 66 2o1qA_67Y_93G}-9.496 -0.864 -1.548 { ca glu A 66 2o1qA_67Y_93G}-9.146 0.317 -2.352 { c glu A 66 2o1qA_67Y_93G}-8.333 -0.131 -3.555 { o glu A 66 2o1qA_67Y_93G}-7.388 -0.953 -3.403 { c glu A 66 2o1qA_67Y_93G}P -8.333 -0.131 -3.555 { n tyr A 67 2o1qA_67Y_93G}-8.652 0.359 -4.735 { ca tyr A 67 2o1qA_67Y_93G}-7.961 -0.008 -5.925 { c tyr A 67 2o1qA_67Y_93G}-7.425 1.177 -6.698 { o tyr A 67 2o1qA_67Y_93G}-7.961 2.279 -6.587 { c tyr A 67 2o1qA_67Y_93G}P -7.425 1.177 -6.698 { n phe A 68 2o1qA_67Y_93G}-6.37 0.894 -7.449 { ca phe A 68 2o1qA_67Y_93G}-5.746 1.761 -8.414 { c phe A 68 2o1qA_67Y_93G}-5.695 0.996 -9.735 { o phe A 68 2o1qA_67Y_93G}-4.927 0.033 -9.91 { c phe A 68 2o1qA_67Y_93G}P -5.695 0.996 -9.735 { n leu A 69 2o1qA_67Y_93G}-6.613 1.337 -10.616 { ca leu A 69 2o1qA_67Y_93G}-6.657 0.809 -11.996 { c leu A 69 2o1qA_67Y_93G}-5.635 1.544 -12.803 { o leu A 69 2o1qA_67Y_93G}-5.795 2.754 -13.067 { n gly A 91 2o1qA_67Y_93G}P -7.556 5.279 -12.595 {"}-7.556 5.279 -12.595 { ca gly A 91 2o1qA_67Y_93G}-8.739 5.389 -11.726 { c gly A 91 2o1qA_67Y_93G}-8.485 4.845 -10.343 { o gly A 91 2o1qA_67Y_93G}-7.797 3.817 -10.198 { c gly A 91 2o1qA_67Y_93G}P -8.485 4.845 -10.343 { n tyr A 92 2o1qA_67Y_93G}-9.069 5.505 -9.338 { ca tyr A 92 2o1qA_67Y_93G}-9.01 5.085 -7.931 { c tyr A 92 2o1qA_67Y_93G}-10.438 4.774 -7.474 { o tyr A 92 2o1qA_67Y_93G}-11.362 5.5 -7.818 { c tyr A 92 2o1qA_67Y_93G}P -10.438 4.774 -7.474 { n gly A 93 2o1qA_67Y_93G}-10.629 3.718 -6.691 { ca gly A 93 2o1qA_67Y_93G}-11.904 3.411 -6.1 { c gly A 93 2o1qA_67Y_93G}-11.801 3.001 -4.658 { o gly A 93 2o1qA_67Y_93G}-10.837 2.315 -4.29 { c gly A 93 2o1qA_67Y_93G}P -11.801 3.001 -4.658 { n tyr A 94 2o1qA_67Y_93G}-12.805 3.359 -3.89 { ca tyr A 94 2o1qA_67Y_93G}-12.956 2.913 -2.505 { c tyr A 94 2o1qA_67Y_93G}-14.203 2.072 -2.505 { o tyr A 94 2o1qA_67Y_93G}-15.297 2.61 -2.793 { c tyr A 94 2o1qA_67Y_93G}P -14.203 2.072 -2.505 { n glu A 95 2o1qA_67Y_93G}-14.028 0.78 -2.228 { ca glu A 95 2o1qA_67Y_93G}-15.137 -0.171 -2.159 { c glu A 95 2o1qA_67Y_93G}-15.355 -0.465 -0.681 { o glu A 95 2o1qA_67Y_93G}-14.539 -1.105 -0.059 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n gly A 65 2o1qA_67Y_93G}P -11.956 -2.006 0.773 { ca gly A 65 2o1qA_67Y_93G}P -10.927 -2.261 -0.209 {"}P -10.927 -2.261 -0.209 { n glu A 66 2o1qA_67Y_93G}P -9.496 -0.864 -1.548 { ca glu A 66 2o1qA_67Y_93G}P -9.146 0.317 -2.352 { n tyr A 67 2o1qA_67Y_93G}P -8.652 0.359 -4.735 { ca tyr A 67 2o1qA_67Y_93G}P -7.961 -0.008 -5.925 { n phe A 68 2o1qA_67Y_93G}P -6.37 0.894 -7.449 { ca phe A 68 2o1qA_67Y_93G}P -5.746 1.761 -8.414 { n leu A 69 2o1qA_67Y_93G}P -6.613 1.337 -10.616 { ca leu A 69 2o1qA_67Y_93G}P -6.657 0.809 -11.996 { n gly A 91 2o1qA_67Y_93G}P -7.556 5.279 -12.595 { ca gly A 91 2o1qA_67Y_93G}P -8.739 5.389 -11.726 {"}P -8.739 5.389 -11.726 { n tyr A 92 2o1qA_67Y_93G}P -9.069 5.505 -9.338 { ca tyr A 92 2o1qA_67Y_93G}P -9.01 5.085 -7.931 { n gly A 93 2o1qA_67Y_93G}P -10.629 3.718 -6.691 { ca gly A 93 2o1qA_67Y_93G}P -11.904 3.411 -6.1 {"}P -11.904 3.411 -6.1 { n tyr A 94 2o1qA_67Y_93G}P -12.805 3.359 -3.89 { ca tyr A 94 2o1qA_67Y_93G}P -12.956 2.913 -2.505 { n glu A 95 2o1qA_67Y_93G}P -14.028 0.78 -2.228 { ca glu A 95 2o1qA_67Y_93G}P -15.137 -0.171 -2.159 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca gly A 65 2o1qA_67Y_93G}P -10.927 -2.261 -0.209 {"}-10.927 -2.261 -0.209 { ca glu A 66 2o1qA_67Y_93G}-9.146 0.317 -2.352 { ca tyr A 67 2o1qA_67Y_93G}-7.961 -0.008 -5.925 { ca phe A 68 2o1qA_67Y_93G}-5.746 1.761 -8.414 { ca leu A 69 2o1qA_67Y_93G}-6.657 0.809 -11.996 { ca gly A 91 2o1qA_67Y_93G}P -8.739 5.389 -11.726 {"}-8.739 5.389 -11.726 { ca tyr A 92 2o1qA_67Y_93G}-9.01 5.085 -7.931 { ca gly A 93 2o1qA_67Y_93G}-11.904 3.411 -6.1 { ca tyr A 94 2o1qA_67Y_93G}-12.956 2.913 -2.505 { ca glu A 95 2o1qA_67Y_93G}-15.137 -0.171 -2.159 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca glu A 66 2o1qA_67Y_93G}P -9.146 0.317 -2.352 { ca tyr A 67 2o1qA_67Y_93G}P -7.961 -0.008 -5.925 { cb tyr A 67 2o1qA_67Y_93G}-8.818 -0.874 -6.847 { cg tyr A 67 2o1qA_67Y_93G}-9.991 -0.169 -7.494 { cd1 tyr A 67 2o1qA_67Y_93G}-9.791 0.643 -8.599 { ce1 tyr A 67 2o1qA_67Y_93G}-10.865 1.316 -9.17 { cz tyr A 67 2o1qA_67Y_93G}-12.119 1.133 -8.726 { oh tyr A 67 2o1qA_67Y_93G}-13.188 1.831 -9.277 { cg tyr A 67 2o1qA_67Y_93G}P -9.991 -0.169 -7.494 { cd2 tyr A 67 2o1qA_67Y_93G}-11.287 -0.341 -7.013 { ce2 tyr A 67 2o1qA_67Y_93G}-12.361 0.314 -7.624 { cz tyr A 67 2o1qA_67Y_93G}ghost -12.119 1.133 -8.726 { ca phe A 68 2o1qA_67Y_93G}P -5.746 1.761 -8.414 { ca leu A 69 2o1qA_67Y_93G}P -6.657 0.809 -11.996 { ca tyr A 92 2o1qA_67Y_93G}P -9.01 5.085 -7.931 { ca tyr A 94 2o1qA_67Y_93G}P -12.956 2.913 -2.505 { ca glu A 95 2o1qA_67Y_93G}P -15.137 -0.171 -2.159 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 67 2o1qA_67Y_93G}P -8.818 -0.874 -6.847 {"}P -8.818 -0.874 -6.847 { cd1 tyr A 67 2o1qA_67Y_93G}P -9.791 0.643 -8.599 { cd2 tyr A 67 2o1qA_67Y_93G}P -11.287 -0.341 -7.013 { ce1 tyr A 67 2o1qA_67Y_93G}P -10.865 1.316 -9.17 { ce2 tyr A 67 2o1qA_67Y_93G}P -12.361 0.314 -7.624 { oh tyr A 67 2o1qA_67Y_93G}P -13.188 1.831 -9.277 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 67 2o1qA_67Y_93G}P -7.961 -0.008 -5.925 { cb tyr A 67 2o1qA_67Y_93G}-8.818 -0.874 -6.847 { cg tyr A 67 2o1qA_67Y_93G}-9.991 -0.169 -7.494 { cd1 tyr A 67 2o1qA_67Y_93G}-9.791 0.643 -8.599 { ce1 tyr A 67 2o1qA_67Y_93G}-10.865 1.316 -9.17 { cz tyr A 67 2o1qA_67Y_93G}-12.119 1.133 -8.726 { oh tyr A 67 2o1qA_67Y_93G}-13.188 1.831 -9.277 { cg tyr A 67 2o1qA_67Y_93G}P -9.991 -0.169 -7.494 { cd2 tyr A 67 2o1qA_67Y_93G}-11.287 -0.341 -7.013 { ce2 tyr A 67 2o1qA_67Y_93G}-12.361 0.314 -7.624 { cz tyr A 67 2o1qA_67Y_93G}ghost -12.119 1.133 -8.726 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 67 2o1qA_67Y_93G}P -8.818 -0.874 -6.847 {"}P -8.818 -0.874 -6.847 { cd1 tyr A 67 2o1qA_67Y_93G}P -9.791 0.643 -8.599 { cd2 tyr A 67 2o1qA_67Y_93G}P -11.287 -0.341 -7.013 { ce1 tyr A 67 2o1qA_67Y_93G}P -10.865 1.316 -9.17 { ce2 tyr A 67 2o1qA_67Y_93G}P -12.361 0.314 -7.624 { oh tyr A 67 2o1qA_67Y_93G}P -13.188 1.831 -9.277 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE2 TYR 67 A}'P' green -11.629 1.74 -6.922 {"}'P' green -13.043 1.628 -6.691 { CZ TYR 67 A}'P' green -12.801 2.447 -7.793 {"}'P' green -13.021 2.113 -7.591 {"}'P' green -11.561 2.128 -7.399 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE2 TYR 67 A}'P' P -13.059 1.852 -7.167 {"}'P' -13.05 1.833 -7.173 {"}'P' P -12.813 1.941 -7.163 {"}'P' -12.782 1.829 -7.195 {"}'P' P -12.557 1.99 -7.161 {"}'P' -12.536 1.814 -7.21 {"}'P' P -12.296 2 -7.161 {"}'P' -12.303 1.812 -7.212 {"}'P' P -12.036 1.97 -7.162 {"}'P' -12.064 1.829 -7.201 {"}'P' P -11.784 1.901 -7.165 {"}'P' -11.805 1.844 -7.181 {"}'P' P -13.108 1.732 -6.922 {"}'P' -13.106 1.728 -6.924 {"}'P' P -12.872 1.831 -6.918 {"}'P' -12.839 1.734 -6.963 {"}'P' P -12.624 1.892 -6.915 {"}'P' -12.595 1.72 -6.992 {"}'P' P -12.114 1.895 -6.915 {"}'P' -12.141 1.725 -6.991 {"}'P' P -11.865 1.836 -6.918 {"}'P' -11.896 1.743 -6.961 {"}'P' P -12.805 1.724 -6.687 {"}'P' -12.78 1.645 -6.739 {"}'P' P -12.554 1.778 -6.684 {"}'P' -12.535 1.641 -6.772 {"}'P' P -12.297 1.789 -6.684 {"}'P' -12.303 1.64 -6.778 {"}'P' P -12.042 1.756 -6.685 {"}'P' -12.065 1.65 -6.754 {"}'P' P -11.796 1.681 -6.688 {"}'P' -11.809 1.65 -6.709 {"}'P' P -12.816 1.555 -6.478 {"}'P' -12.814 1.548 -6.484 {"}'P' P -12.564 1.618 -6.475 {"}'P' -12.555 1.562 -6.524 {"}'P' P -12.304 1.632 -6.474 {"}'P' -12.307 1.565 -6.532 {"}'P' P -12.046 1.597 -6.476 {"}'P' -12.055 1.563 -6.506 { CZ TYR 67 A}'P' P -12.563 2.543 -7.789 {"}'P' -12.558 2.528 -7.799 {"}'P' P -12.312 2.597 -7.786 {"}'P' -12.309 2.574 -7.801 {"}'P' P -12.055 2.608 -7.786 {"}'P' -12.055 2.604 -7.788 {"}'P' P -12.81 2.265 -7.584 {"}'P' -12.789 2.23 -7.619 {"}'P' P -12.574 2.374 -7.58 {"}'P' -12.546 2.298 -7.65 {"}'P' P -12.322 2.437 -7.577 {"}'P' -12.308 2.345 -7.658 {"}'P' P -12.062 2.451 -7.576 {"}'P' -12.065 2.376 -7.642 {"}'P' P -11.804 2.416 -7.578 {"}'P' -11.812 2.387 -7.604 {"}'P' P -12.787 2.061 -7.401 {"}'P' -12.753 2.015 -7.468 {"}'P' P -12.56 2.182 -7.396 {"}'P' -12.52 2.088 -7.515 {"}'P' P -12.312 2.251 -7.393 {"}'P' -12.292 2.134 -7.532 {"}'P' P -12.055 2.264 -7.393 {"}'P' -12.06 2.164 -7.51 {"}'P' P -11.801 2.223 -7.394 {"}'P' -11.816 2.17 -7.458 {"}'P' P -12.127 2.055 -7.238 {"}'P' -12.126 1.965 -7.384 {"}'P' P -11.872 2.023 -7.24 {"}'P' -11.887 1.969 -7.33 {"}'P' P -11.633 1.927 -7.244 {"}'P' -11.635 1.924 -7.249 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { CE2 TYR 67 A}'P' P -12.369 1.914 -6.914 {"}'P' -12.368 1.712 -7.003 @dotlist {x} color= red width= 1 master= {vdw contact} { OH TYR 67 A}'P' blue -13.06 2.504 -8.056 { HH TYR 67 A}'P' blue -13.127 2.542 -8.035 {"}'P' sky -13.315 2.515 -7.829 {"}'P' sky -13.179 2.294 -7.838 {"}'P' blue -13.595 2.469 -7.672 {"}'P' sky -13.409 2.289 -7.68 {"}'P' sky -13.338 2.041 -7.69 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 93 A}'P' sky -13.111 2.642 -7.586 {"}'P' sky -13.257 2.368 -7.412 {"}'P' blue -13.297 2.626 -7.401 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 93 A}'P' P -12.252 2.427 -7.821 {"}'P' -12.261 2.439 -7.74 {"}'P' P -12.512 2.427 -7.821 {"}'P' -12.505 2.436 -7.761 {"}'P' P -11.938 2.402 -7.736 {"}'P' -11.963 2.413 -7.677 {"}'P' P -12.121 2.213 -7.744 {"}'P' -12.153 2.261 -7.611 {"}'P' P -12.374 2.141 -7.747 {"}'P' -12.375 2.204 -7.599 {"}'P' P -12.628 2.205 -7.744 {"}'P' -12.606 2.24 -7.648 {"}'P' P -12.817 2.387 -7.737 {"}'P' -12.816 2.388 -7.734 {"}'P' P -11.697 2.393 -7.597 {"}'P' -11.698 2.393 -7.594 {"}'P' P -11.823 2.173 -7.606 {"}'P' -11.869 2.209 -7.529 {"}'P' P -12.017 2.011 -7.613 {"}'P' -12.069 2.094 -7.481 {"}'P' P -12.255 1.924 -7.617 {"}'P' -12.276 2.035 -7.463 {"}'P' P -12.509 1.924 -7.617 {"}'P' -12.491 2.021 -7.483 {"}'P' P -12.747 2.011 -7.613 {"}'P' -12.716 2.061 -7.533 {"}'P' P -12.941 2.173 -7.606 {"}'P' -12.937 2.176 -7.6 {"}'P' P -11.608 2.147 -7.422 {"}'P' -11.615 2.151 -7.415 {"}'P' P -11.777 1.949 -7.431 {"}'P' -11.824 1.999 -7.372 {"}'P' P -11.994 1.806 -7.437 {"}'P' -12.043 1.905 -7.342 {"}'P' P -12.244 1.73 -7.44 {"}'P' -12.263 1.852 -7.333 {"}'P' P -12.504 1.728 -7.44 {"}'P' -12.487 1.846 -7.336 {"}'P' P -12.754 1.799 -7.437 {"}'P' -12.722 1.869 -7.371 {"}'P' P -12.975 1.938 -7.431 {"}'P' -12.974 1.939 -7.43 {"}'P' P -11.783 1.757 -7.217 {"}'P' -11.82 1.809 -7.184 {"}'P' P -12.008 1.639 -7.222 {"}'P' -12.059 1.771 -7.147 {"}'P' P -12.756 1.639 -7.222 {"}'P' -12.706 1.767 -7.149 {"}'P' P -12.981 1.757 -7.217 {"}'P' -12.948 1.803 -7.187 {"}'P' P -11.664 1.727 -6.971 {"}'P' -11.678 1.744 -6.965 {"}'P' P -11.88 1.59 -6.977 {"}'P' -11.931 1.694 -6.945 {"}'P' P -12.12 1.504 -6.981 {"}'P' -12.162 1.68 -6.931 {"}'P' P -12.628 1.501 -6.981 {"}'P' -12.589 1.677 -6.931 {"}'P' P -12.87 1.583 -6.977 {"}'P' -12.82 1.687 -6.946 {"}'P' P -13.087 1.717 -6.971 {"}'P' -13.075 1.733 -6.966 {"}'P' P -11.834 1.569 -6.717 {"}'P' -11.861 1.62 -6.715 {"}'P' P -12.069 1.476 -6.721 {"}'P' -12.102 1.596 -6.716 {"}'P' P -12.319 1.435 -6.723 {"}'P' -12.327 1.59 -6.716 {"}'P' P -12.571 1.449 -6.722 {"}'P' -12.548 1.589 -6.716 {"}'P' P -12.815 1.516 -6.719 {"}'P' -12.782 1.599 -6.716 {"}'P' P -13.039 1.635 -6.714 {"}'P' -13.036 1.638 -6.714 {"}'P' P -12.12 1.481 -6.46 {"}'P' -12.13 1.522 -6.468 {"}'P' P -12.374 1.451 -6.462 {"}'P' -12.374 1.512 -6.473 {"}'P' P -12.628 1.478 -6.46 {"}'P' -12.619 1.518 -6.468 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {bad overlap} { HA3 GLY 93 A}'P' P -12.255 1.579 -7.225 {"}'P' -12.278 1.762 -7.126 {"}'P' P -12.509 1.579 -7.225 {"}'P' -12.486 1.76 -7.127 {"}'P' P -12.374 1.474 -6.982 {"}'P' -12.375 1.678 -6.926 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 67 A}'M' green -9.302 2.415 -6.965 {"}'M' green -9.024 3.121 -6.934 {"}'M' green -9.209 2.37 -5.958 {"}'M' green -9.159 2.619 -5.948 {"}'M' green -9.061 2.852 -5.937 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 67 A}'M' greentint -9.255 2.667 -6.954 {"}'M' greentint -9.162 2.905 -6.943 {"}'M' greentint -9.355 2.285 -6.716 {"}'M' greentint -9.331 2.541 -6.705 {"}'M' greentint -9.261 2.788 -6.694 {"}'M' greentint -9.146 3.018 -6.684 {"}'M' greentint -8.991 3.223 -6.675 {"}'M' greentint -9.355 2.265 -6.458 {"}'M' greentint -9.333 2.521 -6.447 {"}'M' greentint -9.264 2.769 -6.436 {"}'M' greentint -9.151 3 -6.426 {"}'M' greentint -8.997 3.206 -6.417 {"}'M' greentint -9.301 2.39 -6.199 {"}'M' greentint -9.253 2.641 -6.188 {"}'M' greentint -9.158 2.879 -6.177 {"}'M' greentint -9.019 3.094 -6.168 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 93 A}'M' green -9.36 2.418 -6.988 {"}'M' green -9.04 3.097 -6.958 {"}'M' green -9.423 2.243 -6.754 {"}'M' green -8.973 3.328 -6.707 {"}'M' green -9.363 2.228 -6.496 {"}'M' green -8.939 3.323 -6.448 {"}'M' green -9.04 3.053 -5.959 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 93 A}'M' greentint -9.076 2.842 -6.969 {"}'M' greentint -9.186 2.608 -6.98 {"}'M' greentint -8.973 2.829 -6.728 {"}'M' greentint -9.069 2.596 -6.739 {"}'M' greentint -9.223 2.396 -6.747 {"}'M' greentint -8.94 3.078 -6.718 {"}'M' greentint -8.935 2.826 -6.47 {"}'M' greentint -9.026 2.593 -6.48 {"}'M' greentint -9.172 2.389 -6.489 {"}'M' greentint -8.906 3.075 -6.459 {"}'M' greentint -8.973 2.806 -6.211 {"}'M' greentint -9.069 2.573 -6.221 {"}'M' greentint -9.223 2.373 -6.23 {"}'M' greentint -8.94 3.056 -6.2 {"}'M' greentint -9.076 2.798 -5.97 {"}'M' greentint -9.186 2.565 -5.98 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 67 A}'M' green -9.587 1.996 -4.835 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 67 A}'M' greentint -10.229 1.51 -5.116 {"}'M' greentint -10.075 1.71 -5.107 {"}'M' greentint -9.875 1.863 -5.1 {"}'M' greentint -10.385 1.133 -4.873 {"}'M' greentint -10.325 1.376 -4.862 {"}'M' greentint -10.206 1.597 -4.853 {"}'M' greentint -10.036 1.781 -4.845 {"}'M' greentint -9.825 1.917 -4.839 {"}'M' greentint -10.325 1.254 -4.609 {"}'M' greentint -10.229 1.487 -4.598 {"}'M' greentint -10.075 1.687 -4.59 {"}'M' greentint -9.875 1.84 -4.583 {"}'M' greentint -9.642 1.937 -4.579 {"}'M' greentint -10.25 1.115 -4.373 {"}'M' greentint -10.176 1.362 -4.362 {"}'M' greentint -10.032 1.577 -4.353 {"}'M' greentint -9.832 1.739 -4.346 {"}'M' greentint -9.593 1.836 -4.342 {"}'M' greentint -9.993 1.357 -4.155 {"}'M' greentint -9.818 1.549 -4.147 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 93 A}'M' green -10.402 1.168 -4.965 {"}'M' green -10.208 1.066 -4.215 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 93 A}'M' greentint -9.835 1.858 -5.154 {"}'M' greentint -9.976 1.641 -5.164 {"}'M' greentint -10.163 1.461 -5.172 {"}'M' greentint -9.685 1.848 -4.935 {"}'M' greentint -9.808 1.627 -4.945 {"}'M' greentint -9.974 1.435 -4.953 {"}'M' greentint -10.174 1.28 -4.96 {"}'M' greentint -9.584 1.839 -4.694 {"}'M' greentint -9.7 1.611 -4.704 {"}'M' greentint -9.857 1.409 -4.713 {"}'M' greentint -10.049 1.241 -4.72 {"}'M' greentint -10.27 1.111 -4.726 {"}'M' greentint -9.537 1.818 -4.441 {"}'M' greentint -9.652 1.587 -4.451 {"}'M' greentint -9.807 1.382 -4.46 {"}'M' greentint -9.997 1.209 -4.468 {"}'M' greentint -10.216 1.074 -4.473 {"}'M' greentint -9.647 1.583 -4.193 {"}'M' greentint -9.801 1.377 -4.202 {"}'M' greentint -9.99 1.203 -4.209 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n glu A 333 2o4vA_335F_368}P -12.012 -2.024 0.816 {"}-12.012 -2.024 0.816 { ca glu A 333 2o4vA_335F_368}-11.013 -2.293 -0.212 { c glu A 333 2o4vA_335F_368}-10.733 -1.044 -1.034 { o glu A 333 2o4vA_335F_368}-11.654 -0.346 -1.449 { c glu A 333 2o4vA_335F_368}P -10.733 -1.044 -1.034 { n leu A 334 2o4vA_335F_368}-9.451 -0.763 -1.249 { ca leu A 334 2o4vA_335F_368}-9.027 0.312 -2.147 { c leu A 334 2o4vA_335F_368}-8.364 -0.28 -3.375 { o leu A 334 2o4vA_335F_368}-7.683 -1.305 -3.283 { c leu A 334 2o4vA_335F_368}P -8.364 -0.28 -3.375 { n phe A 335 2o4vA_335F_368}-8.552 0.367 -4.522 { ca phe A 335 2o4vA_335F_368}-7.87 -0.049 -5.742 { c phe A 335 2o4vA_335F_368}-7.492 1.121 -6.66 { o phe A 335 2o4vA_335F_368}-8.066 2.21 -6.592 { c phe A 335 2o4vA_335F_368}P -7.492 1.121 -6.66 { n tyr A 336 2o4vA_335F_368}-6.512 0.862 -7.515 { ca tyr A 336 2o4vA_335F_368}-6.125 1.773 -8.571 { c tyr A 336 2o4vA_335F_368}-5.935 0.976 -9.852 { o tyr A 336 2o4vA_335F_368}-5.234 -0.034 -9.86 { c tyr A 336 2o4vA_335F_368}P -5.935 0.976 -9.852 { n arg A 337 2o4vA_335F_368}-6.573 1.427 -10.926 { ca arg A 337 2o4vA_335F_368}-6.361 0.835 -12.244 { c arg A 337 2o4vA_335F_368}-5.916 1.889 -13.247 { o arg A 337 2o4vA_335F_368}-6.465 2.993 -13.304 { n thr A 366 2o4vA_335F_368}P -8.192 5.088 -12.748 {"}-8.192 5.088 -12.748 { ca thr A 366 2o4vA_335F_368}-9.369 4.806 -11.931 { c thr A 366 2o4vA_335F_368}-8.936 4.574 -10.487 { o thr A 366 2o4vA_335F_368}-8.096 3.717 -10.22 { c thr A 366 2o4vA_335F_368}P -8.936 4.574 -10.487 { n leu A 367 2o4vA_335F_368}-9.5 5.359 -9.572 { ca leu A 367 2o4vA_335F_368}-9.288 5.181 -8.142 { c leu A 367 2o4vA_335F_368}-10.624 4.909 -7.479 { o leu A 367 2o4vA_335F_368}-11.596 5.625 -7.715 { c leu A 367 2o4vA_335F_368}P -10.624 4.909 -7.479 { n gly A 368 2o4vA_335F_368}-10.678 3.872 -6.656 { ca gly A 368 2o4vA_335F_368}-11.944 3.453 -6.081 { c gly A 368 2o4vA_335F_368}-11.894 2.816 -4.707 { o gly A 368 2o4vA_335F_368}-10.845 2.371 -4.23 { c gly A 368 2o4vA_335F_368}P -11.894 2.816 -4.707 { n val A 369 2o4vA_335F_368}-13.061 2.782 -4.081 { ca val A 369 2o4vA_335F_368}-13.233 2.165 -2.786 { c val A 369 2o4vA_335F_368}-14.475 1.269 -2.841 { o val A 369 2o4vA_335F_368}-15.51 1.649 -3.403 { c val A 369 2o4vA_335F_368}P -14.475 1.269 -2.841 { n asn A 370 2o4vA_335F_368}-14.335 0.064 -2.299 { ca asn A 370 2o4vA_335F_368}-15.439 -0.877 -2.163 { c asn A 370 2o4vA_335F_368}-15.685 -1.129 -0.676 { o asn A 370 2o4vA_335F_368}-14.747 -1.409 0.074 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n glu A 333 2o4vA_335F_368}P -12.012 -2.024 0.816 { ca glu A 333 2o4vA_335F_368}P -11.013 -2.293 -0.212 { n leu A 334 2o4vA_335F_368}P -9.451 -0.763 -1.249 { ca leu A 334 2o4vA_335F_368}P -9.027 0.312 -2.147 { n phe A 335 2o4vA_335F_368}P -8.552 0.367 -4.522 { ca phe A 335 2o4vA_335F_368}P -7.87 -0.049 -5.742 { n tyr A 336 2o4vA_335F_368}P -6.512 0.862 -7.515 { ca tyr A 336 2o4vA_335F_368}P -6.125 1.773 -8.571 { n arg A 337 2o4vA_335F_368}P -6.573 1.427 -10.926 { ca arg A 337 2o4vA_335F_368}P -6.361 0.835 -12.244 { n thr A 366 2o4vA_335F_368}P -8.192 5.088 -12.748 { ca thr A 366 2o4vA_335F_368}P -9.369 4.806 -11.931 { n leu A 367 2o4vA_335F_368}P -9.5 5.359 -9.572 { ca leu A 367 2o4vA_335F_368}P -9.288 5.181 -8.142 { n gly A 368 2o4vA_335F_368}P -10.678 3.872 -6.656 { ca gly A 368 2o4vA_335F_368}P -11.944 3.453 -6.081 {"}P -11.944 3.453 -6.081 { n val A 369 2o4vA_335F_368}P -13.061 2.782 -4.081 { ca val A 369 2o4vA_335F_368}P -13.233 2.165 -2.786 { n asn A 370 2o4vA_335F_368}P -14.335 0.064 -2.299 { ca asn A 370 2o4vA_335F_368}P -15.439 -0.877 -2.163 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca glu A 333 2o4vA_335F_368}P -11.013 -2.293 -0.212 {"}-11.013 -2.293 -0.212 { ca leu A 334 2o4vA_335F_368}-9.027 0.312 -2.147 { ca phe A 335 2o4vA_335F_368}-7.87 -0.049 -5.742 { ca tyr A 336 2o4vA_335F_368}-6.125 1.773 -8.571 { ca arg A 337 2o4vA_335F_368}-6.361 0.835 -12.244 { ca thr A 366 2o4vA_335F_368}-9.369 4.806 -11.931 { ca leu A 367 2o4vA_335F_368}-9.288 5.181 -8.142 { ca gly A 368 2o4vA_335F_368}-11.944 3.453 -6.081 { ca val A 369 2o4vA_335F_368}-13.233 2.165 -2.786 { ca asn A 370 2o4vA_335F_368}-15.439 -0.877 -2.163 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca glu A 333 2o4vA_335F_368}P -11.013 -2.293 -0.212 { ca leu A 334 2o4vA_335F_368}P -9.027 0.312 -2.147 { ca phe A 335 2o4vA_335F_368}P -7.87 -0.049 -5.742 { cb phe A 335 2o4vA_335F_368}-8.7 -1.085 -6.513 { cg phe A 335 2o4vA_335F_368}-9.839 -0.489 -7.273 { cd1 phe A 335 2o4vA_335F_368}-11.06 -0.264 -6.654 { ce1 phe A 335 2o4vA_335F_368}-12.117 0.301 -7.36 { cz phe A 335 2o4vA_335F_368}-11.947 0.658 -8.685 { cg phe A 335 2o4vA_335F_368}P -9.839 -0.489 -7.273 { cd2 phe A 335 2o4vA_335F_368}-9.684 -0.124 -8.614 { ce2 phe A 335 2o4vA_335F_368}-10.727 0.438 -9.317 { cz phe A 335 2o4vA_335F_368}ghost -11.947 0.658 -8.685 { ca tyr A 336 2o4vA_335F_368}P -6.125 1.773 -8.571 { ca arg A 337 2o4vA_335F_368}P -6.361 0.835 -12.244 { ca thr A 366 2o4vA_335F_368}P -9.369 4.806 -11.931 { ca leu A 367 2o4vA_335F_368}P -9.288 5.181 -8.142 { ca val A 369 2o4vA_335F_368}P -13.233 2.165 -2.786 { ca asn A 370 2o4vA_335F_368}P -15.439 -0.877 -2.163 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 335 2o4vA_335F_368}P -8.7 -1.085 -6.513 {"}P -8.7 -1.085 -6.513 { cd1 phe A 335 2o4vA_335F_368}P -11.06 -0.264 -6.654 { cd2 phe A 335 2o4vA_335F_368}P -9.684 -0.124 -8.614 { ce1 phe A 335 2o4vA_335F_368}P -12.117 0.301 -7.36 { ce2 phe A 335 2o4vA_335F_368}P -10.727 0.438 -9.317 { cz phe A 335 2o4vA_335F_368}P -11.947 0.658 -8.685 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca phe A 335 2o4vA_335F_368}P -7.87 -0.049 -5.742 { cb phe A 335 2o4vA_335F_368}-8.7 -1.085 -6.513 { cg phe A 335 2o4vA_335F_368}-9.839 -0.489 -7.273 { cd1 phe A 335 2o4vA_335F_368}-11.06 -0.264 -6.654 { ce1 phe A 335 2o4vA_335F_368}-12.117 0.301 -7.36 { cz phe A 335 2o4vA_335F_368}-11.947 0.658 -8.685 { cg phe A 335 2o4vA_335F_368}P -9.839 -0.489 -7.273 { cd2 phe A 335 2o4vA_335F_368}-9.684 -0.124 -8.614 { ce2 phe A 335 2o4vA_335F_368}-10.727 0.438 -9.317 { cz phe A 335 2o4vA_335F_368}ghost -11.947 0.658 -8.685 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb phe A 335 2o4vA_335F_368}P -8.7 -1.085 -6.513 {"}P -8.7 -1.085 -6.513 { cd1 phe A 335 2o4vA_335F_368}P -11.06 -0.264 -6.654 { cd2 phe A 335 2o4vA_335F_368}P -9.684 -0.124 -8.614 { ce1 phe A 335 2o4vA_335F_368}P -12.117 0.301 -7.36 { ce2 phe A 335 2o4vA_335F_368}P -10.727 0.438 -9.317 { cz phe A 335 2o4vA_335F_368}P -11.947 0.658 -8.685 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CZ PHE 335 A}'P' sky -11.7 2.239 -7.976 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 PHE 335 A}'P' green -12.577 1.959 -7.677 {"}'P' green -11.729 2.006 -7.416 {"}'P' green -12.997 1.801 -7.164 {"}'P' green -13.044 1.715 -6.908 { CZ PHE 335 A}'P' sea -12.694 2.076 -7.983 {"}'P' sea -12.458 2.175 -7.979 {"}'P' sea -12.21 2.236 -7.976 {"}'P' sea -11.955 2.258 -7.975 {"}'P' green -12.629 1.972 -7.752 {"}'P' green -12.391 2.068 -7.748 {"}'P' green -12.14 2.122 -7.745 {"}'P' green -11.883 2.133 -7.745 {"}'P' sea -11.628 2.1 -7.746 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { CE1 PHE 335 A}'P' P -12.755 1.93 -7.42 {"}'P' -12.74 1.893 -7.418 {"}'P' P -12.505 2.006 -7.416 {"}'P' -12.484 1.913 -7.413 {"}'P' P -12.247 2.045 -7.415 {"}'P' -12.24 1.94 -7.411 {"}'P' P -11.987 2.045 -7.415 {"}'P' -11.992 1.979 -7.413 {"}'P' P -12.762 1.915 -7.159 {"}'P' -12.726 1.825 -7.17 {"}'P' P -12.513 1.993 -7.155 {"}'P' -12.476 1.835 -7.174 {"}'P' P -12.256 2.033 -7.153 {"}'P' -12.242 1.858 -7.174 {"}'P' P -11.995 2.034 -7.153 {"}'P' -12.004 1.902 -7.169 {"}'P' P -11.737 1.997 -7.155 {"}'P' -11.747 1.951 -7.161 {"}'P' P -12.815 1.839 -6.903 {"}'P' -12.78 1.761 -6.926 {"}'P' P -12.569 1.928 -6.899 {"}'P' -12.526 1.772 -6.943 {"}'P' P -12.313 1.977 -6.897 {"}'P' -12.291 1.789 -6.949 {"}'P' P -12.052 1.987 -6.897 {"}'P' -12.058 1.83 -6.94 {"}'P' P -11.792 1.957 -6.898 {"}'P' -11.807 1.88 -6.92 {"}'P' P -12.864 1.719 -6.658 {"}'P' -12.853 1.699 -6.668 {"}'P' P -12.628 1.818 -6.654 {"}'P' -12.596 1.724 -6.698 {"}'P' P -12.38 1.879 -6.651 {"}'P' -12.357 1.743 -6.712 {"}'P' P -12.125 1.901 -6.65 {"}'P' -12.125 1.775 -6.706 {"}'P' P -11.87 1.882 -6.651 {"}'P' -11.881 1.815 -6.681 {"}'P' P -12.561 1.711 -6.423 {"}'P' -12.551 1.68 -6.443 {"}'P' P -12.31 1.765 -6.42 {"}'P' -12.302 1.71 -6.455 {"}'P' P -12.053 1.776 -6.42 {"}'P' -12.054 1.74 -6.442 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 368 A}'P' sky -11.97 2.538 -7.836 {"}'P' sky -12.66 2.341 -7.844 {"}'P' sky -11.64 2.283 -7.522 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 368 A}'P' green -12.153 2.349 -7.844 {"}'P' green -12.406 2.277 -7.847 {"}'P' sea -11.855 2.309 -7.706 {"}'P' green -12.049 2.147 -7.713 {"}'P' green -12.541 2.06 -7.717 {"}'P' sea -12.779 2.147 -7.713 @vectorlist {x} color= blue width= 1 alpha= 0.1765 master= {small overlap} { HA3 GLY 368 A}'P' P -12.287 2.06 -7.717 {"}'P' -12.288 2.064 -7.712 {"}'P' P -12.026 1.942 -7.537 {"}'P' -12.043 1.975 -7.505 {"}'P' P -12.276 1.866 -7.54 {"}'P' -12.285 1.928 -7.486 {"}'P' P -12.536 1.864 -7.54 {"}'P' -12.53 1.91 -7.5 {"}'P' P -11.815 1.893 -7.317 {"}'P' -11.848 1.94 -7.287 {"}'P' P -12.04 1.775 -7.322 {"}'P' -12.084 1.888 -7.258 {"}'P' P -12.287 1.715 -7.325 {"}'P' -12.305 1.857 -7.248 {"}'P' P -12.541 1.715 -7.325 {"}'P' -12.526 1.834 -7.26 {"}'P' P -12.788 1.775 -7.322 {"}'P' -12.767 1.829 -7.292 {"}'P' P -11.696 1.863 -7.071 {"}'P' -11.729 1.903 -7.057 {"}'P' P -11.912 1.726 -7.077 {"}'P' -11.972 1.848 -7.04 {"}'P' P -12.152 1.64 -7.081 {"}'P' -12.195 1.819 -7.03 {"}'P' P -12.406 1.61 -7.082 {"}'P' -12.407 1.794 -7.031 {"}'P' P -12.66 1.637 -7.081 {"}'P' -12.63 1.769 -7.044 {"}'P' P -12.902 1.719 -7.077 {"}'P' -12.88 1.765 -7.063 {"}'P' P -11.657 1.847 -6.811 {"}'P' -11.671 1.865 -6.81 {"}'P' P -11.866 1.705 -6.817 {"}'P' -11.918 1.804 -6.813 {"}'P' P -12.101 1.612 -6.821 {"}'P' -12.146 1.772 -6.814 {"}'P' P -12.351 1.571 -6.823 {"}'P' -12.36 1.746 -6.815 {"}'P' P -12.603 1.585 -6.822 {"}'P' -12.581 1.721 -6.816 {"}'P' P -12.847 1.652 -6.819 {"}'P' -12.825 1.709 -6.817 {"}'P' P -11.912 1.703 -6.557 {"}'P' -11.938 1.757 -6.568 {"}'P' P -12.152 1.617 -6.56 {"}'P' -12.176 1.718 -6.579 {"}'P' P -12.406 1.587 -6.562 {"}'P' -12.407 1.69 -6.58 {"}'P' P -12.66 1.614 -6.56 {"}'P' -12.647 1.671 -6.571 {"}'P' P -12.287 1.67 -6.31 {"}'P' -12.288 1.678 -6.314 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O PHE 335 A}'M' green -9.36 2.598 -6.959 {"}'M' green -8.954 3.238 -6.931 {"}'M' green -9.436 2.472 -6.71 {"}'M' green -8.906 3.327 -6.673 {"}'M' green -9.406 2.321 -6.204 {"}'M' green -9.264 2.55 -5.953 {"}'M' green -9.166 2.783 -5.942 {"}'M' green -9.022 2.992 -5.933 @dotlist {x} color= red width= 1 master= {H-bonds} { O PHE 335 A}'M' greentint -9.267 2.836 -6.948 {"}'M' greentint -9.129 3.052 -6.939 {"}'M' greentint -9.366 2.719 -6.699 {"}'M' greentint -9.251 2.949 -6.689 {"}'M' greentint -9.096 3.154 -6.68 {"}'M' greentint -9.438 2.452 -6.452 {"}'M' greentint -9.369 2.7 -6.441 {"}'M' greentint -9.256 2.931 -6.431 {"}'M' greentint -9.102 3.137 -6.422 {"}'M' greentint -8.913 3.311 -6.415 {"}'M' greentint -9.358 2.572 -6.193 {"}'M' greentint -9.263 2.81 -6.182 {"}'M' greentint -9.124 3.025 -6.173 {"}'M' greentint -8.948 3.21 -6.165 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 368 A}'M' green -9.022 3.353 -6.881 {"}'M' green -8.922 3.334 -6.641 {"}'M' green -8.888 3.331 -6.382 {"}'M' green -9.405 2.476 -6.16 {"}'M' green -8.922 3.312 -6.123 {"}'M' green -9.058 3.054 -5.893 {"}'M' green -9.168 2.821 -5.903 {"}'M' green -9.342 2.63 -5.912 @dotlist {x} color= sky width= 1 master= {H-bonds} { H GLY 368 A}'M' greentint -9.058 3.098 -6.892 {"}'M' greentint -9.168 2.864 -6.903 {"}'M' greentint -9.342 2.674 -6.911 {"}'M' greentint -8.955 3.085 -6.651 {"}'M' greentint -9.051 2.852 -6.662 {"}'M' greentint -9.205 2.652 -6.67 {"}'M' greentint -9.405 2.499 -6.677 {"}'M' greentint -8.917 3.082 -6.393 {"}'M' greentint -9.008 2.849 -6.403 {"}'M' greentint -9.154 2.645 -6.412 {"}'M' greentint -9.345 2.484 -6.419 {"}'M' greentint -8.955 3.062 -6.134 {"}'M' greentint -9.051 2.829 -6.144 {"}'M' greentint -9.205 2.629 -6.153 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H PHE 335 A}'M' green -9.794 1.763 -5.103 {"}'M' green -9.637 2.006 -4.851 {"}'M' green -10.12 1.148 -4.37 {"}'M' green -9.404 2.08 -4.33 {"}'M' green -9.755 1.5 -3.906 {"}'M' green -9.58 1.692 -3.898 @dotlist {x} color= sky width= 1 master= {H-bonds} { H PHE 335 A}'M' greentint -10.087 1.42 -4.877 {"}'M' greentint -9.991 1.653 -4.867 {"}'M' greentint -9.837 1.853 -4.858 {"}'M' greentint -10.147 1.276 -4.624 {"}'M' greentint -10.087 1.519 -4.613 {"}'M' greentint -9.968 1.74 -4.604 {"}'M' greentint -9.798 1.924 -4.596 {"}'M' greentint -9.587 2.06 -4.59 {"}'M' greentint -10.087 1.397 -4.36 {"}'M' greentint -9.991 1.63 -4.349 {"}'M' greentint -9.837 1.83 -4.341 {"}'M' greentint -9.637 1.983 -4.334 {"}'M' greentint -10.012 1.258 -4.124 {"}'M' greentint -9.938 1.505 -4.113 {"}'M' greentint -9.794 1.72 -4.104 {"}'M' greentint -9.594 1.882 -4.097 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 368 A}'M' green -9.843 1.914 -5.094 {"}'M' green -9.984 1.697 -5.104 {"}'M' green -9.617 2.146 -4.864 {"}'M' green -10.182 1.336 -4.9 {"}'M' green -9.521 2.141 -4.624 {"}'M' green -9.475 2.121 -4.37 {"}'M' green -10.224 1.13 -4.413 {"}'M' green -9.595 1.854 -3.869 {"}'M' green -9.712 1.627 -3.879 {"}'M' green -9.87 1.426 -3.888 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 368 A}'M' greentint -9.693 1.904 -4.875 {"}'M' greentint -9.816 1.683 -4.885 {"}'M' greentint -9.982 1.491 -4.893 {"}'M' greentint -9.592 1.895 -4.634 {"}'M' greentint -9.708 1.667 -4.644 {"}'M' greentint -9.865 1.465 -4.653 {"}'M' greentint -10.057 1.297 -4.66 {"}'M' greentint -9.545 1.874 -4.381 {"}'M' greentint -9.66 1.643 -4.391 {"}'M' greentint -9.815 1.438 -4.4 {"}'M' greentint -10.005 1.265 -4.408 {"}'M' greentint -9.542 1.87 -4.123 {"}'M' greentint -9.655 1.639 -4.133 {"}'M' greentint -9.809 1.433 -4.142 {"}'M' greentint -9.998 1.259 -4.149 @subgroup {mainchain} @vectorlist {mc} color= blue alpha= 0.1765 master= {mainchain} { n lys A 198 2porA_200Y_233}P -11.504 -1.609 1.265 {"}-11.504 -1.609 1.265 { ca lys A 198 2porA_200Y_233}-10.97 -2.169 0.032 { c lys A 198 2porA_200Y_233}-10.723 -0.928 -0.832 { o lys A 198 2porA_200Y_233}-11.512 0.038 -0.801 { c lys A 198 2porA_200Y_233}P -10.723 -0.928 -0.832 { n ala A 199 2porA_200Y_233}-9.608 -0.936 -1.549 { ca ala A 199 2porA_200Y_233}-9.228 0.175 -2.416 { c ala A 199 2porA_200Y_233}-8.472 -0.356 -3.613 { o ala A 199 2porA_200Y_233}-7.827 -1.411 -3.505 { c ala A 199 2porA_200Y_233}P -8.472 -0.356 -3.613 { n tyr A 200 2porA_200Y_233}-8.531 0.295 -4.784 { ca tyr A 200 2porA_200Y_233}-7.756 -0.184 -5.922 { c tyr A 200 2porA_200Y_233}-7.394 1.044 -6.776 { o tyr A 200 2porA_200Y_233}-8.027 2.094 -6.648 { c tyr A 200 2porA_200Y_233}P -7.394 1.044 -6.776 { n tyr A 201 2porA_200Y_233}-6.441 0.873 -7.65 { ca tyr A 201 2porA_200Y_233}-6.107 1.866 -8.619 { c tyr A 201 2porA_200Y_233}-5.856 1.038 -9.873 { o tyr A 201 2porA_200Y_233}-5.2 -0.011 -9.816 { c tyr A 201 2porA_200Y_233}P -5.856 1.038 -9.873 { n ala A 202 2porA_200Y_233}-6.342 1.495 -11.035 { ca ala A 202 2porA_200Y_233}-6.15 0.777 -12.298 { c ala A 202 2porA_200Y_233}-5.755 1.807 -13.363 { o ala A 202 2porA_200Y_233}-6.236 2.939 -13.35 { n ala A 231 2porA_200Y_233}P -8.812 4.306 -13.369 {"}-8.812 4.306 -13.369 { ca ala A 231 2porA_200Y_233}-9.977 4.046 -12.543 { c ala A 231 2porA_200Y_233}-9.438 3.828 -11.125 { o ala A 231 2porA_200Y_233}-8.326 3.302 -10.934 { c ala A 231 2porA_200Y_233}P -9.438 3.828 -11.125 { n tyr A 232 2porA_200Y_233}-10.134 4.285 -10.107 { ca tyr A 232 2porA_200Y_233}-9.73 4.02 -8.729 { c tyr A 232 2porA_200Y_233}-10.952 4.131 -7.827 { o tyr A 232 2porA_200Y_233}-11.954 4.758 -8.206 { c tyr A 232 2porA_200Y_233}P -10.952 4.131 -7.827 { n gly A 233 2porA_200Y_233}-10.971 3.508 -6.644 { ca gly A 233 2porA_200Y_233}-12.129 3.565 -5.773 { c gly A 233 2porA_200Y_233}-11.813 3 -4.394 { o gly A 233 2porA_200Y_233}-10.742 2.459 -4.109 { c gly A 233 2porA_200Y_233}P -11.813 3 -4.394 { n leu A 234 2porA_200Y_233}-12.797 3.12 -3.561 { ca leu A 234 2porA_200Y_233}-12.628 2.748 -2.187 { c leu A 234 2porA_200Y_233}-13.967 2.35 -1.618 { o leu A 234 2porA_200Y_233}-14.973 2.971 -2.017 { c leu A 234 2porA_200Y_233}P -13.967 2.35 -1.618 { n ser A 235 2porA_200Y_233}-14.023 1.345 -0.722 { ca ser A 235 2porA_200Y_233}-15.254 1.145 0.012 { c ser A 235 2porA_200Y_233}-14.93 0.836 1.462 { o ser A 235 2porA_200Y_233}-13.832 0.323 1.759 @vectorlist {mc H} off nobutton color= gray master= {mainchain} { n lys A 198 2porA_200Y_233}P -11.504 -1.609 1.265 { ca lys A 198 2porA_200Y_233}P -10.97 -2.169 0.032 { n ala A 199 2porA_200Y_233}P -9.608 -0.936 -1.549 { ca ala A 199 2porA_200Y_233}P -9.228 0.175 -2.416 { n tyr A 200 2porA_200Y_233}P -8.531 0.295 -4.784 { ca tyr A 200 2porA_200Y_233}P -7.756 -0.184 -5.922 { n tyr A 201 2porA_200Y_233}P -6.441 0.873 -7.65 { ca tyr A 201 2porA_200Y_233}P -6.107 1.866 -8.619 { n ala A 202 2porA_200Y_233}P -6.342 1.495 -11.035 { ca ala A 202 2porA_200Y_233}P -6.15 0.777 -12.298 { n ala A 231 2porA_200Y_233}P -8.812 4.306 -13.369 { ca ala A 231 2porA_200Y_233}P -9.977 4.046 -12.543 { n tyr A 232 2porA_200Y_233}P -10.134 4.285 -10.107 { ca tyr A 232 2porA_200Y_233}P -9.73 4.02 -8.729 { n gly A 233 2porA_200Y_233}P -10.971 3.508 -6.644 { ca gly A 233 2porA_200Y_233}P -12.129 3.565 -5.773 {"}P -12.129 3.565 -5.773 { n leu A 234 2porA_200Y_233}P -12.797 3.12 -3.561 { ca leu A 234 2porA_200Y_233}P -12.628 2.748 -2.187 { n ser A 235 2porA_200Y_233}P -14.023 1.345 -0.722 { ca ser A 235 2porA_200Y_233}P -15.254 1.145 0.012 @subgroup {mainchain} @vectorlist {Calphas} off color= blue alpha= 0.2353 { ca lys A 198 2porA_200Y_233}P -10.97 -2.169 0.032 {"}-10.97 -2.169 0.032 { ca ala A 199 2porA_200Y_233}-9.228 0.175 -2.416 { ca tyr A 200 2porA_200Y_233}-7.756 -0.184 -5.922 { ca tyr A 201 2porA_200Y_233}-6.107 1.866 -8.619 { ca ala A 202 2porA_200Y_233}-6.15 0.777 -12.298 { ca ala A 231 2porA_200Y_233}P -9.977 4.046 -12.543 {"}-9.977 4.046 -12.543 { ca tyr A 232 2porA_200Y_233}-9.73 4.02 -8.729 { ca gly A 233 2porA_200Y_233}-12.129 3.565 -5.773 { ca leu A 234 2porA_200Y_233}-12.628 2.748 -2.187 { ca ser A 235 2porA_200Y_233}-15.254 1.145 0.012 @subgroup {sidechain} @vectorlist {sc} off color= cyan master= {sidechain} { ca lys A 198 2porA_200Y_233}P -10.97 -2.169 0.032 { ca ala A 199 2porA_200Y_233}P -9.228 0.175 -2.416 { ca tyr A 200 2porA_200Y_233}P -7.756 -0.184 -5.922 { cb tyr A 200 2porA_200Y_233}-8.563 -1.185 -6.784 { cg tyr A 200 2porA_200Y_233}-9.714 -0.52 -7.562 { cd1 tyr A 200 2porA_200Y_233}-10.93 -0.225 -6.953 { ce1 tyr A 200 2porA_200Y_233}-11.926 0.445 -7.668 { cz tyr A 200 2porA_200Y_233}-11.692 0.819 -8.999 { oh tyr A 200 2porA_200Y_233}-12.649 1.506 -9.736 { cg tyr A 200 2porA_200Y_233}P -9.714 -0.52 -7.562 { cd2 tyr A 200 2porA_200Y_233}-9.501 -0.146 -8.901 { ce2 tyr A 200 2porA_200Y_233}-10.488 0.525 -9.617 { cz tyr A 200 2porA_200Y_233}ghost -11.692 0.819 -8.999 { ca tyr A 201 2porA_200Y_233}P -6.107 1.866 -8.619 { ca ala A 202 2porA_200Y_233}P -6.15 0.777 -12.298 { ca ala A 231 2porA_200Y_233}P -9.977 4.046 -12.543 { ca tyr A 232 2porA_200Y_233}P -9.73 4.02 -8.729 { ca leu A 234 2porA_200Y_233}P -12.628 2.748 -2.187 { ca ser A 235 2porA_200Y_233}P -15.254 1.145 0.012 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 200 2porA_200Y_233}P -8.563 -1.185 -6.784 {"}P -8.563 -1.185 -6.784 { cd1 tyr A 200 2porA_200Y_233}P -10.93 -0.225 -6.953 { cd2 tyr A 200 2porA_200Y_233}P -9.501 -0.146 -8.901 { ce1 tyr A 200 2porA_200Y_233}P -11.926 0.445 -7.668 { ce2 tyr A 200 2porA_200Y_233}P -10.488 0.525 -9.617 { oh tyr A 200 2porA_200Y_233}P -12.649 1.506 -9.736 @subgroup {sidechain} @vectorlist {sc} color= blue alpha= 0.1765 master= {sidechain} { ca tyr A 200 2porA_200Y_233}P -7.756 -0.184 -5.922 { cb tyr A 200 2porA_200Y_233}-8.563 -1.185 -6.784 { cg tyr A 200 2porA_200Y_233}-9.714 -0.52 -7.562 { cd1 tyr A 200 2porA_200Y_233}-10.93 -0.225 -6.953 { ce1 tyr A 200 2porA_200Y_233}-11.926 0.445 -7.668 { cz tyr A 200 2porA_200Y_233}-11.692 0.819 -8.999 { oh tyr A 200 2porA_200Y_233}-12.649 1.506 -9.736 { cg tyr A 200 2porA_200Y_233}P -9.714 -0.52 -7.562 { cd2 tyr A 200 2porA_200Y_233}-9.501 -0.146 -8.901 { ce2 tyr A 200 2porA_200Y_233}-10.488 0.525 -9.617 { cz tyr A 200 2porA_200Y_233}ghost -11.692 0.819 -8.999 @vectorlist {sc H} off nobutton color= gray master= {sidechain} { cb tyr A 200 2porA_200Y_233}P -8.563 -1.185 -6.784 {"}P -8.563 -1.185 -6.784 { cd1 tyr A 200 2porA_200Y_233}P -10.93 -0.225 -6.953 { cd2 tyr A 200 2porA_200Y_233}P -9.501 -0.146 -8.901 { ce1 tyr A 200 2porA_200Y_233}P -11.926 0.445 -7.668 { ce2 tyr A 200 2porA_200Y_233}P -10.488 0.525 -9.617 { oh tyr A 200 2porA_200Y_233}P -12.649 1.506 -9.736 @subgroup {1->2} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 200 A}'P' sky -12.853 1.859 -7.216 {"}'P' sky -12.624 1.983 -7.211 {"}'P' sky -12.378 2.072 -7.207 {"}'P' sky -12.89 1.729 -6.972 {"}'P' sky -12.827 1.624 -6.741 {"}'P' sky -12.617 1.577 -6.526 { HE1 TYR 200 A}'P' blue -13.138 1.6 -6.89 {"}'P' blue -13.089 1.499 -6.653 @dotlist {x} color= white width= 1 master= {vdw contact} { CE1 TYR 200 A}'P' sea -12.673 1.863 -6.966 {"}'P' sea -12.437 1.962 -6.962 {"}'P' sea -12.608 1.759 -6.735 {"}'P' sea -12.37 1.855 -6.731 @subgroup {2->1} dominant @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 233 A}'P' blue -12.593 2.408 -7.163 {"}'P' blue -12.831 2.321 -7.167 {"}'P' sky -12.82 2.127 -6.99 {"}'P' blue -13.08 2.125 -6.99 {"}'P' blue -13.085 1.976 -6.775 {"}'P' sky -12.696 1.901 -6.531 {"}'P' sky -12.95 1.871 -6.532 {"}'P' blue -13.204 1.898 -6.531 {"}'P' blue -12.645 1.873 -6.271 @dotlist {x} color= white width= 1 master= {vdw contact} { HA3 GLY 233 A}'P' sea -12.57 2.203 -6.987 {"}'P' sea -12.584 2.036 -6.772 {"}'P' sea -12.831 1.976 -6.775 {"}'P' sea -12.456 1.987 -6.527 @subgroup {1->2} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 200 A}'M' sky -9.09 2.936 -6.995 {"}'M' sky -9.421 2.1 -6.777 {"}'M' sky -9.367 1.949 -6.271 {"}'M' sky -8.909 3.094 -6.221 {"}'M' sky -8.983 2.876 -5.989 @dotlist {x} color= red width= 1 master= {vdw contact} { O TYR 200 A}'M' sea -9.321 2.482 -7.015 {"}'M' sea -9.228 2.72 -7.004 {"}'M' green -9.397 2.356 -6.766 {"}'M' green -9.327 2.603 -6.755 {"}'M' green -9.212 2.833 -6.745 {"}'M' sea -9.057 3.038 -6.736 {"}'M' sea -9.421 2.08 -6.519 {"}'M' green -9.399 2.336 -6.508 {"}'M' green -9.217 2.815 -6.487 {"}'M' sea -9.063 3.021 -6.478 {"}'M' green -9.367 2.205 -6.26 {"}'M' green -9.319 2.456 -6.249 {"}'M' green -9.224 2.694 -6.238 {"}'M' green -9.085 2.909 -6.229 {"}'M' sea -9.275 2.185 -6.019 {"}'M' sea -9.225 2.434 -6.009 {"}'M' sea -9.127 2.667 -5.998 @dotlist {x} color= red width= 1 master= {H-bonds} { O TYR 200 A}'M' greentint -9.33 2.584 -6.497 @subgroup {2->1} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 233 A}'M' -9.549 2.748 -7.001 {"}'M' -9.662 2.323 -6.812 {"}'M' -9.725 2.148 -6.578 {"}'M' -9.275 3.233 -6.531 {"}'M' -9.665 2.133 -6.32 {"}'M' -9.241 3.228 -6.272 {"}'M' -9.378 2.703 -5.794 {"}'M' -9.488 2.47 -5.804 @dotlist {x} color= sky width= 1 master= {vdw contact} { H GLY 233 A}'M' green -9.378 2.747 -6.793 {"}'M' green -9.488 2.513 -6.804 {"}'M' sea -9.342 3.002 -6.782 {"}'M' green -9.275 2.734 -6.552 {"}'M' green -9.371 2.501 -6.563 {"}'M' green -9.525 2.301 -6.571 {"}'M' green -9.242 2.983 -6.542 {"}'M' green -9.237 2.731 -6.294 {"}'M' green -9.328 2.498 -6.304 {"}'M' green -9.474 2.294 -6.313 {"}'M' green -9.208 2.98 -6.283 {"}'M' green -9.275 2.711 -6.035 {"}'M' green -9.371 2.478 -6.045 {"}'M' sea -9.525 2.278 -6.054 {"}'M' sea -9.242 2.961 -6.024 @subgroup {1->2} dominant @dotlist {x} color= sky width= 1 master= {vdw contact} { H TYR 200 A}'M' sea -9.918 1.607 -5.194 {"}'M' sea -9.764 1.807 -5.185 {"}'M' sea -10.074 1.23 -4.951 {"}'M' green -10.014 1.473 -4.94 {"}'M' green -9.895 1.694 -4.931 {"}'M' green -9.725 1.878 -4.923 {"}'M' green -9.514 2.014 -4.917 {"}'M' sea -10.047 1.102 -4.697 {"}'M' green -10.014 1.351 -4.687 {"}'M' green -9.564 1.937 -4.661 {"}'M' sea -9.331 2.034 -4.657 {"}'M' green -9.939 1.212 -4.451 {"}'M' green -9.521 1.836 -4.424 {"}'M' sea -9.282 1.933 -4.42 {"}'M' sea -9.776 1.212 -4.244 {"}'M' green -9.682 1.454 -4.233 {"}'M' green -9.507 1.646 -4.225 {"}'M' sea -9.275 1.762 -4.22 @dotlist {x} color= sky width= 1 master= {H-bonds} { H TYR 200 A}'M' greentint -9.918 1.584 -4.676 {"}'M' greentint -9.764 1.784 -4.668 {"}'M' greentint -9.865 1.459 -4.44 {"}'M' greentint -9.721 1.674 -4.431 @subgroup {2->1} dominant @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 233 A}'M' sky -9.936 2.015 -5.164 {"}'M' sky -10.098 1.815 -5.173 {"}'M' sky -9.653 2.246 -4.963 {"}'M' sky -10.292 1.474 -4.996 {"}'M' sky -10.307 1.312 -4.784 {"}'M' sky -9.418 2.229 -4.503 {"}'M' sky -9.895 1.347 -4.028 @dotlist {x} color= red width= 1 master= {vdw contact} { O GLY 233 A}'M' green -9.74 2.002 -4.973 {"}'M' green -9.881 1.785 -4.983 {"}'M' green -10.068 1.605 -4.991 {"}'M' sea -9.514 2.234 -4.743 {"}'M' green -9.59 1.992 -4.754 {"}'M' green -10.079 1.424 -4.779 {"}'M' green -9.489 1.983 -4.513 {"}'M' green -9.954 1.385 -4.539 {"}'M' sea -10.175 1.255 -4.545 {"}'M' sea -9.442 1.962 -4.26 {"}'M' green -9.557 1.731 -4.27 {"}'M' green -9.712 1.526 -4.279 {"}'M' green -9.902 1.353 -4.287 {"}'M' sea -10.121 1.218 -4.292 {"}'M' sea -9.552 1.727 -4.012 {"}'M' sea -9.706 1.521 -4.021 @dotlist {x} color= red width= 1 master= {H-bonds} { O GLY 233 A}'M' greentint -9.713 1.771 -4.764 {"}'M' greentint -9.879 1.579 -4.772 {"}'M' gr