NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
565267 | 2lwu | 18645 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -8.135 2.318 0.865 2 HA2 GLY 1 2HA GLY 1 -7.495 5.079 0.931 3 HA3 GLY 1 3HA GLY 1 -6.113 4.131 1.463 4 H HIS 2 H HIS 2 -4.849 3.149 -0.022 5 HA HIS 2 HA HIS 2 -5.705 2.435 -2.627 6 HB2 HIS 2 1HB HIS 2 -5.138 5.155 -2.341 7 HB3 HIS 2 2HB HIS 2 -3.684 4.475 -3.077 8 HD1 HIS 2 1HD HIS 2 -5.925 6.353 -4.459 9 HD2 HIS 2 2HD HIS 2 -5.352 2.275 -5.009 10 HE1 HIS 2 1HE HIS 2 -6.931 5.829 -6.703 11 H CYS 3 H CYS 3 -3.360 2.529 -4.038 12 HA CYS 3 HA CYS 3 -1.656 0.756 -2.436 13 HB2 CYS 3 1HB CYS 3 -1.596 1.114 -5.436 14 HB3 CYS 3 2HB CYS 3 -0.902 -0.206 -4.492 15 H ILE 4 H ILE 4 -0.008 1.783 -1.511 16 HA ILE 4 HA ILE 4 1.543 3.672 -3.154 17 HB ILE 4 HB ILE 4 2.135 4.661 -0.783 18 HG12 ILE 4 1HG1 ILE 4 -0.737 4.066 -0.235 19 HG13 ILE 4 2HG1 ILE 4 0.454 2.804 0.125 20 HG21 ILE 4 1HG2 ILE 4 1.282 6.305 -2.040 21 HG22 ILE 4 2HG2 ILE 4 0.063 5.254 -2.757 22 HG23 ILE 4 3HG2 ILE 4 -0.221 5.985 -1.177 23 HD11 ILE 4 3HD1 ILE 4 1.702 4.525 1.476 24 HD12 ILE 4 1HD1 ILE 4 0.284 5.559 1.301 25 HD13 ILE 4 2HD1 ILE 4 0.147 4.005 2.125 26 HA PRO 5 HA PRO 5 5.151 1.376 -2.172 27 HB2 PRO 5 1HB PRO 5 7.040 3.342 -1.904 28 HB3 PRO 5 2HB PRO 5 6.335 2.873 -3.451 29 HG2 PRO 5 1HG PRO 5 5.599 5.145 -1.636 30 HG3 PRO 5 2HG PRO 5 5.820 5.141 -3.426 31 HD2 PRO 5 1HD PRO 5 3.373 5.087 -2.253 32 HD3 PRO 5 2HD PRO 5 3.719 4.262 -3.781 33 H THR 6 H THR 6 6.494 0.698 -0.491 34 HA THR 6 HA THR 6 6.398 2.159 2.038 35 HB THR 6 HB THR 6 5.608 0.361 3.344 36 HG1 THR 6 1HG THR 6 5.351 -1.406 1.176 37 HG21 THR 6 3HG2 THR 6 3.903 0.145 0.872 38 HG22 THR 6 1HG2 THR 6 3.895 1.571 1.908 39 HG23 THR 6 2HG2 THR 6 3.405 0.007 2.557 40 H THR 7 H THR 7 7.735 0.770 3.728 41 HA THR 7 HA THR 7 10.385 0.787 2.907 42 HB THR 7 HB THR 7 10.690 -0.797 4.976 43 HG1 THR 7 1HG THR 7 8.865 -1.388 5.850 44 HG21 THR 7 3HG2 THR 7 9.461 1.897 5.506 45 HG22 THR 7 1HG2 THR 7 11.058 1.725 4.778 46 HG23 THR 7 2HG2 THR 7 10.751 1.084 6.393 47 H SER 8 H SER 8 8.033 -1.812 2.863 48 HA SER 8 HA SER 8 10.044 -3.751 2.032 49 HB2 SER 8 1HB SER 8 8.049 -5.329 2.004 50 HB3 SER 8 2HB SER 8 8.461 -4.632 3.580 51 HG SER 8 HG SER 8 6.490 -3.549 1.852 52 H GLY 9 H GLY 9 7.643 -1.681 0.677 53 HA2 GLY 9 2HA GLY 9 8.286 -1.479 -1.842 54 HA3 GLY 9 3HA GLY 9 7.687 -3.131 -1.874 55 HA PRO 10 HA PRO 10 4.170 -0.237 -2.804 56 HB2 PRO 10 1HB PRO 10 3.324 -1.577 -5.037 57 HB3 PRO 10 2HB PRO 10 4.567 -0.327 -5.066 58 HG2 PRO 10 1HG PRO 10 4.869 -3.310 -4.986 59 HG3 PRO 10 2HG PRO 10 5.736 -2.103 -6.008 60 HD2 PRO 10 1HD PRO 10 6.842 -3.207 -3.789 61 HD3 PRO 10 2HD PRO 10 7.175 -1.544 -4.297 62 H ILE 11 H ILE 11 2.599 -0.678 -1.385 63 HA ILE 11 HA ILE 11 1.415 -3.378 -1.411 64 HB ILE 11 HB ILE 11 1.523 -1.447 0.910 65 HG12 ILE 11 1HG1 ILE 11 2.946 -4.090 0.507 66 HG13 ILE 11 2HG1 ILE 11 3.707 -2.498 0.345 67 HG21 ILE 11 1HG2 ILE 11 0.598 -3.312 2.211 68 HG22 ILE 11 2HG2 ILE 11 -0.497 -2.794 0.930 69 HG23 ILE 11 3HG2 ILE 11 0.457 -4.263 0.732 70 HD11 ILE 11 3HD1 ILE 11 4.315 -2.927 2.474 71 HD12 ILE 11 1HD1 ILE 11 2.733 -2.219 2.804 72 HD13 ILE 11 2HD1 ILE 11 2.927 -3.972 2.779 73 H CYS 12 H CYS 12 -0.766 -3.575 -1.587 74 HA CYS 12 HA CYS 12 -2.237 -1.137 -2.254 75 HB2 CYS 12 1HB CYS 12 -2.562 -4.045 -2.874 76 HB3 CYS 12 2HB CYS 12 -3.996 -3.017 -2.891 77 H LEU 13 H LEU 13 -3.028 -0.203 -0.458 78 HA LEU 13 HA LEU 13 -4.031 -1.756 1.753 79 HB2 LEU 13 1HB LEU 13 -3.607 1.127 1.151 80 HB3 LEU 13 2HB LEU 13 -4.814 0.709 2.382 81 HG LEU 13 HG LEU 13 -1.895 -0.058 2.452 82 HD11 LEU 13 1HD1 LEU 13 -3.481 2.091 3.824 83 HD12 LEU 13 2HD1 LEU 13 -2.002 2.248 2.877 84 HD13 LEU 13 3HD1 LEU 13 -1.953 1.488 4.467 85 HD21 LEU 13 3HD2 LEU 13 -4.194 -0.596 4.313 86 HD22 LEU 13 1HD2 LEU 13 -2.511 -0.663 4.834 87 HD23 LEU 13 2HD2 LEU 13 -3.087 -1.754 3.574 88 H ARG 14 H ARG 14 -6.134 -2.053 2.365 89 HA ARG 14 HA ARG 14 -8.139 -1.541 0.301 90 HB2 ARG 14 1HB ARG 14 -8.242 -3.262 2.790 91 HB3 ARG 14 2HB ARG 14 -9.537 -3.125 1.593 92 HG2 ARG 14 1HG ARG 14 -6.778 -4.263 1.150 93 HG3 ARG 14 2HG ARG 14 -8.312 -5.149 1.197 94 HD2 ARG 14 1HD ARG 14 -9.083 -3.847 -0.780 95 HD3 ARG 14 2HD ARG 14 -7.483 -3.097 -0.851 96 HE ARG 14 HE ARG 14 -6.691 -4.988 -1.849 97 HH11 ARG 14 1HH1 ARG 14 -9.675 -5.748 -0.226 98 HH12 ARG 14 2HH1 ARG 14 -9.754 -7.364 -0.847 99 HH21 ARG 14 1HH2 ARG 14 -6.782 -7.115 -2.672 100 HH22 ARG 14 2HH2 ARG 14 -8.106 -8.141 -2.236 101 H ASP 15 H ASP 15 -7.083 0.522 2.190 102 HA ASP 15 HA ASP 15 -9.689 1.509 3.067 103 HB2 ASP 15 1HB ASP 15 -7.262 1.252 4.861 104 HB3 ASP 15 2HB ASP 15 -8.667 2.255 5.247 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -6.751 2.303 2.896 2 HA2 GLY 1 2HA GLY 1 -6.844 4.958 1.860 3 HA3 GLY 1 3HA GLY 1 -5.394 4.013 2.165 4 H HIS 2 H HIS 2 -4.350 3.061 0.491 5 HA HIS 2 HA HIS 2 -5.551 2.472 -2.009 6 HB2 HIS 2 1HB HIS 2 -5.040 5.148 -1.741 7 HB3 HIS 2 2HB HIS 2 -3.552 4.575 -2.499 8 HD1 HIS 2 1HD HIS 2 -3.645 4.822 -4.945 9 HD2 HIS 2 2HD HIS 2 -7.366 3.872 -3.360 10 HE1 HIS 2 1HE HIS 2 -5.201 4.691 -6.915 11 H CYS 3 H CYS 3 -3.403 2.601 -3.706 12 HA CYS 3 HA CYS 3 -1.544 0.730 -2.418 13 HB2 CYS 3 1HB CYS 3 -1.988 1.240 -5.371 14 HB3 CYS 3 2HB CYS 3 -1.016 -0.052 -4.662 15 H ILE 4 H ILE 4 0.204 1.724 -1.644 16 HA ILE 4 HA ILE 4 1.674 3.522 -3.441 17 HB ILE 4 HB ILE 4 2.350 4.699 -1.175 18 HG12 ILE 4 1HG1 ILE 4 0.436 4.906 0.349 19 HG13 ILE 4 2HG1 ILE 4 -0.463 3.727 -0.621 20 HG21 ILE 4 1HG2 ILE 4 1.295 5.720 -3.181 21 HG22 ILE 4 2HG2 ILE 4 -0.281 5.305 -2.511 22 HG23 ILE 4 3HG2 ILE 4 0.768 6.438 -1.658 23 HD11 ILE 4 3HD1 ILE 4 2.165 2.839 0.372 24 HD12 ILE 4 1HD1 ILE 4 0.901 3.071 1.580 25 HD13 ILE 4 2HD1 ILE 4 0.641 1.961 0.234 26 HA PRO 5 HA PRO 5 5.269 1.250 -2.355 27 HB2 PRO 5 1HB PRO 5 7.198 3.195 -2.319 28 HB3 PRO 5 2HB PRO 5 6.440 2.604 -3.797 29 HG2 PRO 5 1HG PRO 5 5.798 5.044 -2.173 30 HG3 PRO 5 2HG PRO 5 5.966 4.875 -3.961 31 HD2 PRO 5 1HD PRO 5 3.554 4.975 -2.720 32 HD3 PRO 5 2HD PRO 5 3.841 4.009 -4.178 33 H THR 6 H THR 6 6.629 0.686 -0.654 34 HA THR 6 HA THR 6 6.647 2.374 1.733 35 HB THR 6 HB THR 6 5.839 0.737 3.217 36 HG1 THR 6 1HG THR 6 5.494 -1.234 1.248 37 HG21 THR 6 3HG2 THR 6 4.131 0.481 0.739 38 HG22 THR 6 1HG2 THR 6 4.067 1.821 1.883 39 HG23 THR 6 2HG2 THR 6 3.614 0.198 2.401 40 H THR 7 H THR 7 7.996 1.108 3.506 41 HA THR 7 HA THR 7 10.621 0.984 2.631 42 HB THR 7 HB THR 7 10.915 -0.469 4.809 43 HG1 THR 7 1HG THR 7 9.112 -0.040 6.240 44 HG21 THR 7 3HG2 THR 7 11.685 1.771 4.765 45 HG22 THR 7 1HG2 THR 7 10.627 1.655 6.170 46 HG23 THR 7 2HG2 THR 7 10.044 2.411 4.688 47 H SER 8 H SER 8 8.214 -1.560 2.854 48 HA SER 8 HA SER 8 10.163 -3.595 2.105 49 HB2 SER 8 1HB SER 8 8.622 -5.188 2.768 50 HB3 SER 8 2HB SER 8 8.164 -3.830 3.810 51 HG SER 8 HG SER 8 6.649 -5.091 2.053 52 H GLY 9 H GLY 9 7.730 -1.601 0.689 53 HA2 GLY 9 2HA GLY 9 8.282 -1.603 -1.862 54 HA3 GLY 9 3HA GLY 9 7.654 -3.241 -1.742 55 HA PRO 10 HA PRO 10 4.152 -0.356 -2.758 56 HB2 PRO 10 1HB PRO 10 3.197 -1.846 -4.850 57 HB3 PRO 10 2HB PRO 10 4.457 -0.627 -5.019 58 HG2 PRO 10 1HG PRO 10 4.714 -3.600 -4.724 59 HG3 PRO 10 2HG PRO 10 5.559 -2.492 -5.866 60 HD2 PRO 10 1HD PRO 10 6.733 -3.446 -3.613 61 HD3 PRO 10 2HD PRO 10 7.074 -1.832 -4.259 62 H ILE 11 H ILE 11 2.633 -0.658 -1.248 63 HA ILE 11 HA ILE 11 1.439 -3.340 -0.980 64 HB ILE 11 HB ILE 11 1.579 -1.149 1.094 65 HG12 ILE 11 1HG1 ILE 11 3.747 -2.223 0.686 66 HG13 ILE 11 2HG1 ILE 11 3.107 -2.653 2.282 67 HG21 ILE 11 1HG2 ILE 11 -0.188 -2.181 1.978 68 HG22 ILE 11 2HG2 ILE 11 -0.053 -3.536 0.860 69 HG23 ILE 11 3HG2 ILE 11 0.902 -3.518 2.342 70 HD11 ILE 11 3HD1 ILE 11 2.224 -4.591 0.391 71 HD12 ILE 11 1HD1 ILE 11 3.970 -4.387 0.247 72 HD13 ILE 11 2HD1 ILE 11 3.254 -4.803 1.806 73 H CYS 12 H CYS 12 -0.696 -3.576 -1.291 74 HA CYS 12 HA CYS 12 -2.224 -1.187 -2.024 75 HB2 CYS 12 1HB CYS 12 -2.359 -4.079 -2.732 76 HB3 CYS 12 2HB CYS 12 -3.874 -3.173 -2.722 77 H LEU 13 H LEU 13 -3.850 -0.439 -0.817 78 HA LEU 13 HA LEU 13 -4.761 -2.096 1.443 79 HB2 LEU 13 1HB LEU 13 -4.006 0.754 1.216 80 HB3 LEU 13 2HB LEU 13 -5.443 0.404 2.193 81 HG LEU 13 HG LEU 13 -2.684 -0.727 2.654 82 HD11 LEU 13 1HD1 LEU 13 -2.755 1.614 3.210 83 HD12 LEU 13 2HD1 LEU 13 -2.756 0.664 4.695 84 HD13 LEU 13 3HD1 LEU 13 -4.253 1.392 4.113 85 HD21 LEU 13 3HD2 LEU 13 -4.021 -2.368 3.527 86 HD22 LEU 13 1HD2 LEU 13 -5.351 -1.259 3.864 87 HD23 LEU 13 2HD2 LEU 13 -3.929 -1.274 4.908 88 H ARG 14 H ARG 14 -6.945 -2.182 1.916 89 HA ARG 14 HA ARG 14 -8.701 -1.409 -0.290 90 HB2 ARG 14 1HB ARG 14 -9.243 -3.181 2.105 91 HB3 ARG 14 2HB ARG 14 -10.327 -2.934 0.727 92 HG2 ARG 14 1HG ARG 14 -7.617 -4.264 0.677 93 HG3 ARG 14 2HG ARG 14 -9.199 -5.040 0.485 94 HD2 ARG 14 1HD ARG 14 -8.025 -2.965 -1.381 95 HD3 ARG 14 2HD ARG 14 -8.058 -4.711 -1.667 96 HE ARG 14 HE ARG 14 -10.206 -2.875 -2.055 97 HH11 ARG 14 1HH1 ARG 14 -9.449 -6.164 -1.201 98 HH12 ARG 14 2HH1 ARG 14 -10.969 -6.792 -1.747 99 HH21 ARG 14 1HH2 ARG 14 -12.210 -3.690 -2.776 100 HH22 ARG 14 2HH2 ARG 14 -12.538 -5.384 -2.643 101 H ASP 15 H ASP 15 -7.658 0.500 1.728 102 HA ASP 15 HA ASP 15 -10.236 1.660 2.454 103 HB2 ASP 15 1HB ASP 15 -9.229 0.311 4.405 104 HB3 ASP 15 2HB ASP 15 -8.021 1.598 4.492 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -6.755 2.311 2.896 2 HA2 GLY 1 2HA GLY 1 -6.853 4.962 1.852 3 HA3 GLY 1 3HA GLY 1 -5.401 4.021 2.159 4 H HIS 2 H HIS 2 -4.355 3.063 0.489 5 HA HIS 2 HA HIS 2 -5.554 2.469 -2.011 6 HB2 HIS 2 1HB HIS 2 -5.001 5.153 -1.727 7 HB3 HIS 2 2HB HIS 2 -3.556 4.550 -2.542 8 HD1 HIS 2 1HD HIS 2 -3.904 5.338 -4.885 9 HD2 HIS 2 2HD HIS 2 -7.244 3.396 -3.359 10 HE1 HIS 2 1HE HIS 2 -5.491 5.109 -6.822 11 H CYS 3 H CYS 3 -3.403 2.598 -3.706 12 HA CYS 3 HA CYS 3 -1.545 0.729 -2.414 13 HB2 CYS 3 1HB CYS 3 -1.981 1.237 -5.367 14 HB3 CYS 3 2HB CYS 3 -1.015 -0.058 -4.654 15 H ILE 4 H ILE 4 0.202 1.724 -1.638 16 HA ILE 4 HA ILE 4 1.672 3.523 -3.433 17 HB ILE 4 HB ILE 4 2.348 4.696 -1.166 18 HG12 ILE 4 1HG1 ILE 4 0.436 4.900 0.360 19 HG13 ILE 4 2HG1 ILE 4 -0.464 3.722 -0.611 20 HG21 ILE 4 1HG2 ILE 4 0.525 6.352 -1.572 21 HG22 ILE 4 2HG2 ILE 4 1.425 5.893 -3.016 22 HG23 ILE 4 3HG2 ILE 4 -0.177 5.217 -2.723 23 HD11 ILE 4 3HD1 ILE 4 2.165 2.834 0.378 24 HD12 ILE 4 1HD1 ILE 4 0.902 3.063 1.588 25 HD13 ILE 4 2HD1 ILE 4 0.642 1.956 0.240 26 HA PRO 5 HA PRO 5 5.267 1.251 -2.353 27 HB2 PRO 5 1HB PRO 5 7.196 3.194 -2.313 28 HB3 PRO 5 2HB PRO 5 6.438 2.606 -3.791 29 HG2 PRO 5 1HG PRO 5 5.797 5.044 -2.164 30 HG3 PRO 5 2HG PRO 5 5.964 4.878 -3.952 31 HD2 PRO 5 1HD PRO 5 3.553 4.976 -2.711 32 HD3 PRO 5 2HD PRO 5 3.839 4.012 -4.169 33 H THR 6 H THR 6 6.630 0.684 -0.651 34 HA THR 6 HA THR 6 6.646 2.366 1.738 35 HB THR 6 HB THR 6 5.839 0.726 3.219 36 HG1 THR 6 1HG THR 6 6.191 -1.316 2.824 37 HG21 THR 6 3HG2 THR 6 4.067 0.265 0.834 38 HG22 THR 6 1HG2 THR 6 4.131 1.821 1.660 39 HG23 THR 6 2HG2 THR 6 3.616 0.379 2.534 40 H THR 7 H THR 7 8.002 1.113 3.507 41 HA THR 7 HA THR 7 10.625 0.988 2.630 42 HB THR 7 HB THR 7 11.220 0.092 4.769 43 HG1 THR 7 1HG THR 7 9.996 -1.442 5.545 44 HG21 THR 7 3HG2 THR 7 8.734 1.676 5.352 45 HG22 THR 7 1HG2 THR 7 10.146 2.420 4.603 46 HG23 THR 7 2HG2 THR 7 10.278 1.691 6.203 47 H SER 8 H SER 8 8.221 -1.559 2.852 48 HA SER 8 HA SER 8 10.173 -3.592 2.102 49 HB2 SER 8 1HB SER 8 8.326 -5.191 2.399 50 HB3 SER 8 2HB SER 8 8.513 -4.153 3.825 51 HG SER 8 HG SER 8 6.623 -3.276 3.455 52 H GLY 9 H GLY 9 7.724 -1.608 0.691 53 HA2 GLY 9 2HA GLY 9 8.282 -1.606 -1.864 54 HA3 GLY 9 3HA GLY 9 7.654 -3.243 -1.744 55 HA PRO 10 HA PRO 10 4.152 -0.358 -2.758 56 HB2 PRO 10 1HB PRO 10 3.197 -1.845 -4.851 57 HB3 PRO 10 2HB PRO 10 4.458 -0.625 -5.019 58 HG2 PRO 10 1HG PRO 10 4.715 -3.599 -4.727 59 HG3 PRO 10 2HG PRO 10 5.561 -2.489 -5.868 60 HD2 PRO 10 1HD PRO 10 6.734 -3.445 -3.616 61 HD3 PRO 10 2HD PRO 10 7.075 -1.831 -4.261 62 H ILE 11 H ILE 11 2.633 -0.661 -1.249 63 HA ILE 11 HA ILE 11 1.438 -3.343 -0.986 64 HB ILE 11 HB ILE 11 1.566 -1.158 1.097 65 HG12 ILE 11 1HG1 ILE 11 2.997 -3.825 0.962 66 HG13 ILE 11 2HG1 ILE 11 3.746 -2.250 0.647 67 HG21 ILE 11 1HG2 ILE 11 -0.455 -2.511 1.276 68 HG22 ILE 11 2HG2 ILE 11 0.518 -3.980 1.274 69 HG23 ILE 11 3HG2 ILE 11 0.645 -2.841 2.614 70 HD11 ILE 11 3HD1 ILE 11 4.370 -2.594 2.816 71 HD12 ILE 11 1HD1 ILE 11 2.877 -1.682 3.043 72 HD13 ILE 11 2HD1 ILE 11 2.876 -3.437 3.229 73 H CYS 12 H CYS 12 -0.698 -3.577 -1.295 74 HA CYS 12 HA CYS 12 -2.223 -1.186 -2.026 75 HB2 CYS 12 1HB CYS 12 -2.367 -4.079 -2.730 76 HB3 CYS 12 2HB CYS 12 -3.878 -3.169 -2.718 77 H LEU 13 H LEU 13 -3.856 -0.438 -0.825 78 HA LEU 13 HA LEU 13 -4.759 -2.086 1.444 79 HB2 LEU 13 1HB LEU 13 -4.008 0.764 1.206 80 HB3 LEU 13 2HB LEU 13 -5.444 0.415 2.186 81 HG LEU 13 HG LEU 13 -2.682 -0.712 2.647 82 HD11 LEU 13 1HD1 LEU 13 -4.112 1.111 4.522 83 HD12 LEU 13 2HD1 LEU 13 -3.264 1.791 3.133 84 HD13 LEU 13 3HD1 LEU 13 -2.383 0.829 4.321 85 HD21 LEU 13 3HD2 LEU 13 -4.186 -2.335 3.420 86 HD22 LEU 13 1HD2 LEU 13 -5.319 -1.125 4.025 87 HD23 LEU 13 2HD2 LEU 13 -3.782 -1.385 4.850 88 H ARG 14 H ARG 14 -6.944 -2.177 1.918 89 HA ARG 14 HA ARG 14 -8.703 -1.412 -0.287 90 HB2 ARG 14 1HB ARG 14 -9.238 -3.180 2.111 91 HB3 ARG 14 2HB ARG 14 -10.326 -2.935 0.737 92 HG2 ARG 14 1HG ARG 14 -7.615 -4.264 0.680 93 HG3 ARG 14 2HG ARG 14 -9.197 -5.041 0.492 94 HD2 ARG 14 1HD ARG 14 -8.028 -2.966 -1.379 95 HD3 ARG 14 2HD ARG 14 -8.064 -4.712 -1.664 96 HE ARG 14 HE ARG 14 -10.207 -2.877 -2.056 97 HH11 ARG 14 1HH1 ARG 14 -9.465 -6.160 -1.166 98 HH12 ARG 14 2HH1 ARG 14 -10.991 -6.787 -1.697 99 HH21 ARG 14 1HH2 ARG 14 -12.219 -3.690 -2.759 100 HH22 ARG 14 2HH2 ARG 14 -12.556 -5.381 -2.604 101 H ASP 15 H ASP 15 -7.659 0.500 1.731 102 HA ASP 15 HA ASP 15 -10.239 1.659 2.455 103 HB2 ASP 15 1HB ASP 15 -8.898 0.299 4.372 104 HB3 ASP 15 2HB ASP 15 -8.160 1.896 4.551 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -6.742 2.240 2.885 2 HA2 GLY 1 2HA GLY 1 -6.781 4.932 1.905 3 HA3 GLY 1 3HA GLY 1 -5.353 3.951 2.198 4 H HIS 2 H HIS 2 -4.319 3.030 0.511 5 HA HIS 2 HA HIS 2 -5.539 2.445 -1.981 6 HB2 HIS 2 1HB HIS 2 -4.961 5.134 -1.680 7 HB3 HIS 2 2HB HIS 2 -3.551 4.517 -2.545 8 HD1 HIS 2 1HD HIS 2 -5.737 6.426 -3.799 9 HD2 HIS 2 2HD HIS 2 -5.500 2.312 -4.323 10 HE1 HIS 2 1HE HIS 2 -6.942 5.953 -5.955 11 H CYS 3 H CYS 3 -3.402 2.587 -3.694 12 HA CYS 3 HA CYS 3 -1.532 0.713 -2.428 13 HB2 CYS 3 1HB CYS 3 -1.981 1.235 -5.376 14 HB3 CYS 3 2HB CYS 3 -1.024 -0.067 -4.671 15 H ILE 4 H ILE 4 0.220 1.706 -1.659 16 HA ILE 4 HA ILE 4 1.683 3.504 -3.460 17 HB ILE 4 HB ILE 4 2.354 4.692 -1.198 18 HG12 ILE 4 1HG1 ILE 4 0.442 4.905 0.322 19 HG13 ILE 4 2HG1 ILE 4 -0.459 3.724 -0.644 20 HG21 ILE 4 1HG2 ILE 4 -0.324 5.510 -2.174 21 HG22 ILE 4 2HG2 ILE 4 1.132 6.471 -1.920 22 HG23 ILE 4 3HG2 ILE 4 0.992 5.444 -3.347 23 HD11 ILE 4 3HD1 ILE 4 0.900 3.075 1.561 24 HD12 ILE 4 1HD1 ILE 4 0.639 1.960 0.220 25 HD13 ILE 4 2HD1 ILE 4 2.164 2.834 0.356 26 HA PRO 5 HA PRO 5 5.280 1.245 -2.360 27 HB2 PRO 5 1HB PRO 5 7.206 3.192 -2.330 28 HB3 PRO 5 2HB PRO 5 6.450 2.593 -3.806 29 HG2 PRO 5 1HG PRO 5 5.803 5.040 -2.195 30 HG3 PRO 5 2HG PRO 5 5.973 4.862 -3.981 31 HD2 PRO 5 1HD PRO 5 3.559 4.963 -2.743 32 HD3 PRO 5 2HD PRO 5 3.849 3.992 -4.196 33 H THR 6 H THR 6 6.629 0.683 -0.652 34 HA THR 6 HA THR 6 6.650 2.384 1.724 35 HB THR 6 HB THR 6 5.838 0.755 3.217 36 HG1 THR 6 1HG THR 6 5.287 -1.409 2.325 37 HG21 THR 6 3HG2 THR 6 4.077 0.339 0.810 38 HG22 THR 6 1HG2 THR 6 4.121 1.856 1.708 39 HG23 THR 6 2HG2 THR 6 3.609 0.371 2.509 40 H THR 7 H THR 7 7.993 1.125 3.507 41 HA THR 7 HA THR 7 10.619 0.991 2.643 42 HB THR 7 HB THR 7 11.202 0.091 4.784 43 HG1 THR 7 1HG THR 7 9.763 -0.996 6.059 44 HG21 THR 7 3HG2 THR 7 10.551 1.894 5.959 45 HG22 THR 7 1HG2 THR 7 8.839 1.531 5.749 46 HG23 THR 7 2HG2 THR 7 9.724 2.375 4.478 47 H SER 8 H SER 8 8.209 -1.551 2.860 48 HA SER 8 HA SER 8 10.157 -3.588 2.112 49 HB2 SER 8 1HB SER 8 8.548 -5.198 2.675 50 HB3 SER 8 2HB SER 8 8.247 -3.893 3.836 51 HG SER 8 HG SER 8 6.390 -3.458 2.902 52 H GLY 9 H GLY 9 7.717 -1.597 0.697 53 HA2 GLY 9 2HA GLY 9 8.275 -1.594 -1.855 54 HA3 GLY 9 3HA GLY 9 7.649 -3.233 -1.737 55 HA PRO 10 HA PRO 10 4.143 -0.351 -2.752 56 HB2 PRO 10 1HB PRO 10 3.194 -1.835 -4.849 57 HB3 PRO 10 2HB PRO 10 4.454 -0.613 -5.013 58 HG2 PRO 10 1HG PRO 10 4.716 -3.587 -4.728 59 HG3 PRO 10 2HG PRO 10 5.560 -2.472 -5.864 60 HD2 PRO 10 1HD PRO 10 6.734 -3.431 -3.612 61 HD3 PRO 10 2HD PRO 10 7.071 -1.815 -4.253 62 H ILE 11 H ILE 11 2.622 -0.661 -1.246 63 HA ILE 11 HA ILE 11 1.427 -3.344 -0.997 64 HB ILE 11 HB ILE 11 2.593 -2.587 1.044 65 HG12 ILE 11 1HG1 ILE 11 -0.184 -2.409 1.969 66 HG13 ILE 11 2HG1 ILE 11 0.099 -3.738 0.831 67 HG21 ILE 11 1HG2 ILE 11 2.099 -0.144 0.611 68 HG22 ILE 11 2HG2 ILE 11 0.495 -0.447 1.275 69 HG23 ILE 11 3HG2 ILE 11 1.925 -0.689 2.278 70 HD11 ILE 11 3HD1 ILE 11 2.102 -3.502 2.958 71 HD12 ILE 11 1HD1 ILE 11 0.476 -3.921 3.496 72 HD13 ILE 11 2HD1 ILE 11 1.297 -4.927 2.302 73 H CYS 12 H CYS 12 -0.704 -3.571 -1.326 74 HA CYS 12 HA CYS 12 -2.226 -1.176 -2.041 75 HB2 CYS 12 1HB CYS 12 -2.388 -4.070 -2.728 76 HB3 CYS 12 2HB CYS 12 -3.895 -3.154 -2.714 77 H LEU 13 H LEU 13 -3.890 -0.434 -0.869 78 HA LEU 13 HA LEU 13 -4.770 -2.054 1.431 79 HB2 LEU 13 1HB LEU 13 -4.024 0.793 1.159 80 HB3 LEU 13 2HB LEU 13 -5.462 0.457 2.142 81 HG LEU 13 HG LEU 13 -2.699 -0.663 2.620 82 HD11 LEU 13 1HD1 LEU 13 -4.237 1.612 3.811 83 HD12 LEU 13 2HD1 LEU 13 -2.564 1.564 3.258 84 HD13 LEU 13 3HD1 LEU 13 -3.020 0.747 4.753 85 HD21 LEU 13 3HD2 LEU 13 -4.010 -2.292 3.535 86 HD22 LEU 13 1HD2 LEU 13 -5.366 -1.200 3.817 87 HD23 LEU 13 2HD2 LEU 13 -3.965 -1.159 4.886 88 H ARG 14 H ARG 14 -6.952 -2.153 1.907 89 HA ARG 14 HA ARG 14 -8.720 -1.419 -0.301 90 HB2 ARG 14 1HB ARG 14 -8.807 -3.410 1.920 91 HB3 ARG 14 2HB ARG 14 -10.344 -2.815 1.274 92 HG2 ARG 14 1HG ARG 14 -9.610 -4.919 0.217 93 HG3 ARG 14 2HG ARG 14 -9.779 -3.583 -0.934 94 HD2 ARG 14 1HD ARG 14 -7.391 -3.225 -0.973 95 HD3 ARG 14 2HD ARG 14 -7.166 -4.417 0.317 96 HE ARG 14 HE ARG 14 -8.456 -5.524 -1.985 97 HH11 ARG 14 1HH1 ARG 14 -5.378 -4.664 -0.605 98 HH12 ARG 14 2HH1 ARG 14 -4.487 -5.811 -1.551 99 HH21 ARG 14 1HH2 ARG 14 -7.296 -7.037 -3.235 100 HH22 ARG 14 2HH2 ARG 14 -5.579 -7.160 -3.046 101 H ASP 15 H ASP 15 -7.661 0.483 1.761 102 HA ASP 15 HA ASP 15 -10.240 1.681 2.427 103 HB2 ASP 15 1HB ASP 15 -8.572 0.412 4.357 104 HB3 ASP 15 2HB ASP 15 -8.495 2.156 4.639 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -6.784 2.371 2.882 2 HA2 GLY 1 2HA GLY 1 -6.960 4.970 1.755 3 HA3 GLY 1 3HA GLY 1 -5.478 4.088 2.091 4 H HIS 2 H HIS 2 -4.402 3.098 0.450 5 HA HIS 2 HA HIS 2 -5.567 2.444 -2.052 6 HB2 HIS 2 1HB HIS 2 -5.052 5.141 -1.806 7 HB3 HIS 2 2HB HIS 2 -3.593 4.543 -2.600 8 HD1 HIS 2 1HD HIS 2 -3.772 4.819 -5.040 9 HD2 HIS 2 2HD HIS 2 -7.425 3.802 -3.342 10 HE1 HIS 2 1HE HIS 2 -5.385 4.659 -6.962 11 H CYS 3 H CYS 3 -3.408 2.564 -3.728 12 HA CYS 3 HA CYS 3 -1.531 0.754 -2.382 13 HB2 CYS 3 1HB CYS 3 -1.982 1.182 -5.348 14 HB3 CYS 3 2HB CYS 3 -0.967 -0.060 -4.614 15 H ILE 4 H ILE 4 0.195 1.795 -1.621 16 HA ILE 4 HA ILE 4 1.632 3.595 -3.446 17 HB ILE 4 HB ILE 4 2.315 4.783 -1.190 18 HG12 ILE 4 1HG1 ILE 4 0.417 4.961 0.356 19 HG13 ILE 4 2HG1 ILE 4 -0.472 3.762 -0.600 20 HG21 ILE 4 1HG2 ILE 4 1.443 6.212 -2.731 21 HG22 ILE 4 2HG2 ILE 4 0.024 5.207 -3.023 22 HG23 ILE 4 3HG2 ILE 4 0.111 6.210 -1.575 23 HD11 ILE 4 3HD1 ILE 4 0.672 2.020 0.247 24 HD12 ILE 4 1HD1 ILE 4 2.183 2.925 0.361 25 HD13 ILE 4 2HD1 ILE 4 0.932 3.139 1.586 26 HA PRO 5 HA PRO 5 5.273 1.378 -2.402 27 HB2 PRO 5 1HB PRO 5 7.173 3.351 -2.384 28 HB3 PRO 5 2HB PRO 5 6.408 2.750 -3.853 29 HG2 PRO 5 1HG PRO 5 5.745 5.178 -2.222 30 HG3 PRO 5 2HG PRO 5 5.898 5.013 -4.011 31 HD2 PRO 5 1HD PRO 5 3.498 5.076 -2.744 32 HD3 PRO 5 2HD PRO 5 3.784 4.116 -4.206 33 H THR 6 H THR 6 6.590 0.789 -0.695 34 HA THR 6 HA THR 6 6.683 2.495 1.673 35 HB THR 6 HB THR 6 5.848 0.884 3.184 36 HG1 THR 6 1HG THR 6 5.492 -1.243 2.633 37 HG21 THR 6 3HG2 THR 6 4.027 0.624 0.795 38 HG22 THR 6 1HG2 THR 6 4.140 2.085 1.776 39 HG23 THR 6 2HG2 THR 6 3.583 0.576 2.501 40 H THR 7 H THR 7 7.886 0.934 3.464 41 HA THR 7 HA THR 7 10.545 0.777 2.561 42 HB THR 7 HB THR 7 10.764 -0.672 4.763 43 HG1 THR 7 1HG THR 7 9.001 -0.011 6.197 44 HG21 THR 7 3HG2 THR 7 11.694 1.270 5.336 45 HG22 THR 7 1HG2 THR 7 10.099 1.845 5.818 46 HG23 THR 7 2HG2 THR 7 10.686 2.143 4.182 47 H SER 8 H SER 8 8.022 -1.650 2.893 48 HA SER 8 HA SER 8 9.855 -3.781 2.120 49 HB2 SER 8 1HB SER 8 8.139 -5.315 2.697 50 HB3 SER 8 2HB SER 8 8.066 -4.039 3.924 51 HG SER 8 HG SER 8 6.324 -4.509 1.760 52 H GLY 9 H GLY 9 8.167 -1.470 0.536 53 HA2 GLY 9 2HA GLY 9 8.378 -1.584 -1.923 54 HA3 GLY 9 3HA GLY 9 7.747 -3.221 -1.808 55 HA PRO 10 HA PRO 10 4.228 -0.386 -2.835 56 HB2 PRO 10 1HB PRO 10 3.210 -1.976 -4.821 57 HB3 PRO 10 2HB PRO 10 4.476 -0.780 -5.084 58 HG2 PRO 10 1HG PRO 10 4.717 -3.735 -4.637 59 HG3 PRO 10 2HG PRO 10 5.542 -2.696 -5.858 60 HD2 PRO 10 1HD PRO 10 6.766 -3.539 -3.586 61 HD3 PRO 10 2HD PRO 10 7.101 -1.965 -4.326 62 H ILE 11 H ILE 11 2.742 -0.594 -1.276 63 HA ILE 11 HA ILE 11 1.555 -3.251 -0.815 64 HB ILE 11 HB ILE 11 1.638 -0.919 1.102 65 HG12 ILE 11 1HG1 ILE 11 3.869 -1.880 0.705 66 HG13 ILE 11 2HG1 ILE 11 3.292 -2.216 2.347 67 HG21 ILE 11 1HG2 ILE 11 -0.227 -2.128 1.724 68 HG22 ILE 11 2HG2 ILE 11 0.475 -3.667 1.225 69 HG23 ILE 11 3HG2 ILE 11 1.036 -2.879 2.700 70 HD11 ILE 11 3HD1 ILE 11 2.470 -4.371 0.719 71 HD12 ILE 11 1HD1 ILE 11 4.170 -4.053 0.375 72 HD13 ILE 11 2HD1 ILE 11 3.649 -4.370 2.031 73 H CYS 12 H CYS 12 -0.571 -3.525 -1.119 74 HA CYS 12 HA CYS 12 -2.136 -1.185 -1.942 75 HB2 CYS 12 1HB CYS 12 -2.206 -4.092 -2.593 76 HB3 CYS 12 2HB CYS 12 -3.740 -3.218 -2.610 77 H LEU 13 H LEU 13 -3.768 -0.438 -0.747 78 HA LEU 13 HA LEU 13 -4.661 -2.069 1.540 79 HB2 LEU 13 1HB LEU 13 -3.975 0.794 1.249 80 HB3 LEU 13 2HB LEU 13 -5.406 0.428 2.231 81 HG LEU 13 HG LEU 13 -2.620 -0.622 2.723 82 HD11 LEU 13 1HD1 LEU 13 -4.126 1.227 4.522 83 HD12 LEU 13 2HD1 LEU 13 -3.213 1.867 3.156 84 HD13 LEU 13 3HD1 LEU 13 -2.390 0.938 4.408 85 HD21 LEU 13 3HD2 LEU 13 -3.865 -2.273 3.669 86 HD22 LEU 13 1HD2 LEU 13 -5.276 -1.237 3.890 87 HD23 LEU 13 2HD2 LEU 13 -3.907 -1.110 4.995 88 H ARG 14 H ARG 14 -6.845 -2.192 2.006 89 HA ARG 14 HA ARG 14 -8.607 -1.514 -0.226 90 HB2 ARG 14 1HB ARG 14 -9.163 -3.223 2.210 91 HB3 ARG 14 2HB ARG 14 -10.189 -3.068 0.776 92 HG2 ARG 14 1HG ARG 14 -7.441 -4.310 0.907 93 HG3 ARG 14 2HG ARG 14 -8.988 -5.144 0.672 94 HD2 ARG 14 1HD ARG 14 -9.312 -3.902 -1.448 95 HD3 ARG 14 2HD ARG 14 -7.726 -3.157 -1.214 96 HE ARG 14 HE ARG 14 -8.264 -5.834 -2.119 97 HH11 ARG 14 1HH1 ARG 14 -5.932 -3.716 -0.638 98 HH12 ARG 14 2HH1 ARG 14 -4.567 -4.671 -1.113 99 HH21 ARG 14 1HH2 ARG 14 -6.475 -7.101 -2.751 100 HH22 ARG 14 2HH2 ARG 14 -4.877 -6.596 -2.317 101 H ASP 15 H ASP 15 -7.626 0.476 1.729 102 HA ASP 15 HA ASP 15 -10.235 1.576 2.439 103 HB2 ASP 15 1HB ASP 15 -9.624 0.532 4.501 104 HB3 ASP 15 2HB ASP 15 -7.972 1.154 4.392 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -6.768 2.368 2.893 2 HA2 GLY 1 2HA GLY 1 -6.950 4.967 1.767 3 HA3 GLY 1 3HA GLY 1 -5.465 4.087 2.097 4 H HIS 2 H HIS 2 -4.395 3.095 0.452 5 HA HIS 2 HA HIS 2 -5.567 2.444 -2.046 6 HB2 HIS 2 1HB HIS 2 -5.076 5.136 -1.811 7 HB3 HIS 2 2HB HIS 2 -3.594 4.556 -2.575 8 HD1 HIS 2 1HD HIS 2 -3.660 4.349 -5.040 9 HD2 HIS 2 2HD HIS 2 -7.464 4.241 -3.371 10 HE1 HIS 2 1HE HIS 2 -5.248 4.284 -6.989 11 H CYS 3 H CYS 3 -3.411 2.568 -3.729 12 HA CYS 3 HA CYS 3 -1.531 0.754 -2.390 13 HB2 CYS 3 1HB CYS 3 -1.994 1.189 -5.351 14 HB3 CYS 3 2HB CYS 3 -0.969 -0.051 -4.628 15 H ILE 4 H ILE 4 0.197 1.793 -1.629 16 HA ILE 4 HA ILE 4 1.633 3.594 -3.454 17 HB ILE 4 HB ILE 4 2.315 4.783 -1.197 18 HG12 ILE 4 1HG1 ILE 4 0.415 4.963 0.346 19 HG13 ILE 4 2HG1 ILE 4 -0.475 3.766 -0.609 20 HG21 ILE 4 1HG2 ILE 4 0.286 5.240 -3.209 21 HG22 ILE 4 2HG2 ILE 4 -0.122 6.016 -1.680 22 HG23 ILE 4 3HG2 ILE 4 1.415 6.375 -2.468 23 HD11 ILE 4 3HD1 ILE 4 0.928 3.143 1.578 24 HD12 ILE 4 1HD1 ILE 4 0.664 2.023 0.242 25 HD13 ILE 4 2HD1 ILE 4 2.178 2.924 0.354 26 HA PRO 5 HA PRO 5 5.273 1.377 -2.404 27 HB2 PRO 5 1HB PRO 5 7.173 3.352 -2.387 28 HB3 PRO 5 2HB PRO 5 6.409 2.748 -3.857 29 HG2 PRO 5 1HG PRO 5 5.747 5.178 -2.229 30 HG3 PRO 5 2HG PRO 5 5.899 5.011 -4.017 31 HD2 PRO 5 1HD PRO 5 3.499 5.077 -2.751 32 HD3 PRO 5 2HD PRO 5 3.785 4.115 -4.212 33 H THR 6 H THR 6 6.589 0.789 -0.697 34 HA THR 6 HA THR 6 6.681 2.499 1.670 35 HB THR 6 HB THR 6 5.843 0.890 3.183 36 HG1 THR 6 1HG THR 6 5.267 -1.243 2.434 37 HG21 THR 6 3HG2 THR 6 4.040 0.661 0.774 38 HG22 THR 6 1HG2 THR 6 4.124 2.085 1.811 39 HG23 THR 6 2HG2 THR 6 3.578 0.544 2.471 40 H THR 7 H THR 7 7.882 0.940 3.463 41 HA THR 7 HA THR 7 10.540 0.781 2.562 42 HB THR 7 HB THR 7 10.844 -0.586 4.752 43 HG1 THR 7 1HG THR 7 8.768 -1.202 5.197 44 HG21 THR 7 3HG2 THR 7 11.096 1.386 5.940 45 HG22 THR 7 1HG2 THR 7 9.667 2.126 5.220 46 HG23 THR 7 2HG2 THR 7 11.145 1.959 4.273 47 H SER 8 H SER 8 8.018 -1.645 2.897 48 HA SER 8 HA SER 8 9.852 -3.776 2.127 49 HB2 SER 8 1HB SER 8 8.206 -5.304 2.790 50 HB3 SER 8 2HB SER 8 7.983 -3.957 3.921 51 HG SER 8 HG SER 8 6.040 -3.754 3.179 52 H GLY 9 H GLY 9 8.164 -1.468 0.539 53 HA2 GLY 9 2HA GLY 9 8.375 -1.587 -1.921 54 HA3 GLY 9 3HA GLY 9 7.744 -3.223 -1.803 55 HA PRO 10 HA PRO 10 4.226 -0.390 -2.835 56 HB2 PRO 10 1HB PRO 10 3.207 -1.981 -4.815 57 HB3 PRO 10 2HB PRO 10 4.474 -0.787 -5.083 58 HG2 PRO 10 1HG PRO 10 4.713 -3.741 -4.629 59 HG3 PRO 10 2HG PRO 10 5.539 -2.706 -5.852 60 HD2 PRO 10 1HD PRO 10 6.762 -3.545 -3.579 61 HD3 PRO 10 2HD PRO 10 7.098 -1.972 -4.322 62 H ILE 11 H ILE 11 2.741 -0.592 -1.275 63 HA ILE 11 HA ILE 11 1.555 -3.249 -0.805 64 HB ILE 11 HB ILE 11 1.644 -0.905 1.098 65 HG12 ILE 11 1HG1 ILE 11 3.866 -1.869 0.739 66 HG13 ILE 11 2HG1 ILE 11 3.267 -2.242 2.365 67 HG21 ILE 11 1HG2 ILE 11 1.100 -3.089 2.603 68 HG22 ILE 11 2HG2 ILE 11 -0.124 -1.996 1.957 69 HG23 ILE 11 3HG2 ILE 11 0.255 -3.494 1.109 70 HD11 ILE 11 3HD1 ILE 11 4.189 -4.034 0.385 71 HD12 ILE 11 1HD1 ILE 11 3.599 -4.393 2.008 72 HD13 ILE 11 2HD1 ILE 11 2.474 -4.351 0.649 73 H CYS 12 H CYS 12 -0.570 -3.527 -1.118 74 HA CYS 12 HA CYS 12 -2.138 -1.189 -1.944 75 HB2 CYS 12 1HB CYS 12 -2.195 -4.095 -2.604 76 HB3 CYS 12 2HB CYS 12 -3.731 -3.227 -2.626 77 H LEU 13 H LEU 13 -3.759 -0.444 -0.738 78 HA LEU 13 HA LEU 13 -4.672 -2.095 1.525 79 HB2 LEU 13 1HB LEU 13 -3.961 0.765 1.275 80 HB3 LEU 13 2HB LEU 13 -5.399 0.400 2.245 81 HG LEU 13 HG LEU 13 -2.624 -0.681 2.735 82 HD11 LEU 13 1HD1 LEU 13 -3.132 1.794 3.196 83 HD12 LEU 13 2HD1 LEU 13 -2.425 0.831 4.493 84 HD13 LEU 13 3HD1 LEU 13 -4.150 1.193 4.505 85 HD21 LEU 13 3HD2 LEU 13 -5.287 -1.228 3.960 86 HD22 LEU 13 1HD2 LEU 13 -3.848 -1.248 4.978 87 HD23 LEU 13 2HD2 LEU 13 -3.964 -2.336 3.595 88 H ARG 14 H ARG 14 -6.860 -2.207 1.981 89 HA ARG 14 HA ARG 14 -8.608 -1.484 -0.247 90 HB2 ARG 14 1HB ARG 14 -9.128 -3.250 2.157 91 HB3 ARG 14 2HB ARG 14 -10.225 -3.016 0.788 92 HG2 ARG 14 1HG ARG 14 -7.500 -4.314 0.717 93 HG3 ARG 14 2HG ARG 14 -9.074 -5.110 0.540 94 HD2 ARG 14 1HD ARG 14 -7.944 -3.024 -1.341 95 HD3 ARG 14 2HD ARG 14 -7.957 -4.771 -1.624 96 HE ARG 14 HE ARG 14 -10.120 -2.970 -2.024 97 HH11 ARG 14 1HH1 ARG 14 -9.359 -6.227 -1.057 98 HH12 ARG 14 2HH1 ARG 14 -10.887 -6.871 -1.559 99 HH21 ARG 14 1HH2 ARG 14 -12.135 -3.807 -2.689 100 HH22 ARG 14 2HH2 ARG 14 -12.464 -5.495 -2.488 101 H ASP 15 H ASP 15 -7.616 0.473 1.739 102 HA ASP 15 HA ASP 15 -10.222 1.576 2.464 103 HB2 ASP 15 1HB ASP 15 -7.927 1.182 4.399 104 HB3 ASP 15 2HB ASP 15 -9.303 2.250 4.711 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -8.108 2.315 0.892 2 HA2 GLY 1 2HA GLY 1 -7.443 5.073 0.986 3 HA3 GLY 1 3HA GLY 1 -6.071 4.102 1.500 4 H HIS 2 H HIS 2 -4.820 3.140 -0.005 5 HA HIS 2 HA HIS 2 -5.694 2.460 -2.614 6 HB2 HIS 2 1HB HIS 2 -5.125 5.172 -2.305 7 HB3 HIS 2 2HB HIS 2 -3.667 4.504 -3.043 8 HD1 HIS 2 1HD HIS 2 -5.898 6.390 -4.420 9 HD2 HIS 2 2HD HIS 2 -5.334 2.315 -4.996 10 HE1 HIS 2 1HE HIS 2 -6.896 5.886 -6.673 11 H CYS 3 H CYS 3 -3.360 2.557 -4.039 12 HA CYS 3 HA CYS 3 -1.649 0.765 -2.464 13 HB2 CYS 3 1HB CYS 3 -1.645 1.149 -5.465 14 HB3 CYS 3 2HB CYS 3 -0.899 -0.164 -4.549 15 H ILE 4 H ILE 4 0.004 1.787 -1.542 16 HA ILE 4 HA ILE 4 1.561 3.667 -3.192 17 HB ILE 4 HB ILE 4 2.150 4.670 -0.825 18 HG12 ILE 4 1HG1 ILE 4 0.189 4.718 0.658 19 HG13 ILE 4 2HG1 ILE 4 -0.649 3.590 -0.419 20 HG21 ILE 4 1HG2 ILE 4 0.143 5.272 -2.840 21 HG22 ILE 4 2HG2 ILE 4 -0.243 5.960 -1.264 22 HG23 ILE 4 3HG2 ILE 4 1.297 6.337 -2.037 23 HD11 ILE 4 3HD1 ILE 4 0.683 2.816 1.765 24 HD12 ILE 4 1HD1 ILE 4 0.478 1.799 0.340 25 HD13 ILE 4 2HD1 ILE 4 1.977 2.701 0.571 26 HA PRO 5 HA PRO 5 5.157 1.364 -2.183 27 HB2 PRO 5 1HB PRO 5 7.053 3.324 -1.926 28 HB3 PRO 5 2HB PRO 5 6.349 2.848 -3.471 29 HG2 PRO 5 1HG PRO 5 5.619 5.137 -1.674 30 HG3 PRO 5 2HG PRO 5 5.844 5.118 -3.463 31 HD2 PRO 5 1HD PRO 5 3.395 5.081 -2.294 32 HD3 PRO 5 2HD PRO 5 3.740 4.244 -3.816 33 H THR 6 H THR 6 6.493 0.692 -0.494 34 HA THR 6 HA THR 6 6.394 2.171 2.025 35 HB THR 6 HB THR 6 5.601 0.381 3.341 36 HG1 THR 6 1HG THR 6 5.144 -1.700 2.279 37 HG21 THR 6 3HG2 THR 6 3.400 -0.085 2.459 38 HG22 THR 6 1HG2 THR 6 3.934 0.296 0.823 39 HG23 THR 6 2HG2 THR 6 3.848 1.569 2.041 40 H THR 7 H THR 7 7.725 0.797 3.728 41 HA THR 7 HA THR 7 10.377 0.804 2.914 42 HB THR 7 HB THR 7 10.662 -0.780 4.994 43 HG1 THR 7 1HG THR 7 8.895 -1.030 6.209 44 HG21 THR 7 3HG2 THR 7 11.216 1.626 4.908 45 HG22 THR 7 1HG2 THR 7 10.545 1.147 6.465 46 HG23 THR 7 2HG2 THR 7 9.540 2.007 5.300 47 H SER 8 H SER 8 8.019 -1.790 2.870 48 HA SER 8 HA SER 8 10.031 -3.737 2.059 49 HB2 SER 8 1HB SER 8 8.071 -5.330 2.058 50 HB3 SER 8 2HB SER 8 8.417 -4.572 3.623 51 HG SER 8 HG SER 8 6.126 -4.593 2.489 52 H GLY 9 H GLY 9 7.629 -1.678 0.686 53 HA2 GLY 9 2HA GLY 9 8.284 -1.488 -1.832 54 HA3 GLY 9 3HA GLY 9 7.683 -3.139 -1.857 55 HA PRO 10 HA PRO 10 4.172 -0.248 -2.813 56 HB2 PRO 10 1HB PRO 10 3.331 -1.598 -5.044 57 HB3 PRO 10 2HB PRO 10 4.575 -0.349 -5.072 58 HG2 PRO 10 1HG PRO 10 4.877 -3.332 -4.978 59 HG3 PRO 10 2HG PRO 10 5.746 -2.131 -6.002 60 HD2 PRO 10 1HD PRO 10 6.845 -3.225 -3.775 61 HD3 PRO 10 2HD PRO 10 7.180 -1.564 -4.290 62 H ILE 11 H ILE 11 2.594 -0.680 -1.397 63 HA ILE 11 HA ILE 11 1.407 -3.379 -1.415 64 HB ILE 11 HB ILE 11 1.522 -1.439 0.898 65 HG12 ILE 11 1HG1 ILE 11 3.700 -2.464 0.384 66 HG13 ILE 11 2HG1 ILE 11 3.047 -3.050 1.925 67 HG21 ILE 11 1HG2 ILE 11 0.799 -3.756 2.013 68 HG22 ILE 11 2HG2 ILE 11 -0.367 -2.575 1.420 69 HG23 ILE 11 3HG2 ILE 11 0.062 -3.967 0.425 70 HD11 ILE 11 3HD1 ILE 11 2.247 -5.086 0.767 71 HD12 ILE 11 1HD1 ILE 11 3.054 -4.522 -0.697 72 HD13 ILE 11 2HD1 ILE 11 4.000 -4.897 0.744 73 H CYS 12 H CYS 12 -0.779 -3.574 -1.576 74 HA CYS 12 HA CYS 12 -2.245 -1.129 -2.244 75 HB2 CYS 12 1HB CYS 12 -2.581 -4.035 -2.887 76 HB3 CYS 12 2HB CYS 12 -3.996 -2.983 -2.932 77 H LEU 13 H LEU 13 -3.030 -0.223 -0.428 78 HA LEU 13 HA LEU 13 -4.063 -1.814 1.744 79 HB2 LEU 13 1HB LEU 13 -3.607 1.078 1.209 80 HB3 LEU 13 2HB LEU 13 -4.819 0.642 2.427 81 HG LEU 13 HG LEU 13 -1.908 -0.152 2.482 82 HD11 LEU 13 1HD1 LEU 13 -2.295 2.242 2.893 83 HD12 LEU 13 2HD1 LEU 13 -1.715 1.399 4.329 84 HD13 LEU 13 3HD1 LEU 13 -3.420 1.824 4.185 85 HD21 LEU 13 3HD2 LEU 13 -2.564 -1.747 3.885 86 HD22 LEU 13 1HD2 LEU 13 -4.230 -1.168 3.861 87 HD23 LEU 13 2HD2 LEU 13 -3.071 -0.473 4.994 88 H ARG 14 H ARG 14 -6.176 -2.086 2.344 89 HA ARG 14 HA ARG 14 -8.159 -1.520 0.274 90 HB2 ARG 14 1HB ARG 14 -8.301 -3.269 2.742 91 HB3 ARG 14 2HB ARG 14 -9.590 -3.097 1.542 92 HG2 ARG 14 1HG ARG 14 -6.846 -4.271 1.094 93 HG3 ARG 14 2HG ARG 14 -8.393 -5.134 1.128 94 HD2 ARG 14 1HD ARG 14 -9.140 -3.805 -0.838 95 HD3 ARG 14 2HD ARG 14 -7.534 -3.067 -0.894 96 HE ARG 14 HE ARG 14 -7.235 -5.854 -0.947 97 HH11 ARG 14 1HH1 ARG 14 -8.440 -3.260 -2.932 98 HH12 ARG 14 2HH1 ARG 14 -8.102 -4.073 -4.426 99 HH21 ARG 14 1HH2 ARG 14 -6.786 -6.933 -2.905 100 HH22 ARG 14 2HH2 ARG 14 -7.163 -6.163 -4.408 101 H ASP 15 H ASP 15 -7.079 0.494 2.216 102 HA ASP 15 HA ASP 15 -9.680 1.508 3.086 103 HB2 ASP 15 1HB ASP 15 -7.250 1.273 4.882 104 HB3 ASP 15 2HB ASP 15 -8.702 2.202 5.277 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -6.770 2.371 2.893 2 HA2 GLY 1 2HA GLY 1 -6.953 4.968 1.764 3 HA3 GLY 1 3HA GLY 1 -5.468 4.089 2.095 4 H HIS 2 H HIS 2 -4.396 3.097 0.452 5 HA HIS 2 HA HIS 2 -5.567 2.444 -2.047 6 HB2 HIS 2 1HB HIS 2 -4.997 5.150 -1.778 7 HB3 HIS 2 2HB HIS 2 -3.601 4.511 -2.653 8 HD1 HIS 2 1HD HIS 2 -5.842 6.402 -3.883 9 HD2 HIS 2 2HD HIS 2 -5.540 2.289 -4.391 10 HE1 HIS 2 1HE HIS 2 -7.068 5.897 -6.019 11 H CYS 3 H CYS 3 -3.411 2.568 -3.729 12 HA CYS 3 HA CYS 3 -1.531 0.755 -2.389 13 HB2 CYS 3 1HB CYS 3 -1.993 1.188 -5.350 14 HB3 CYS 3 2HB CYS 3 -0.968 -0.051 -4.627 15 H ILE 4 H ILE 4 0.196 1.793 -1.627 16 HA ILE 4 HA ILE 4 1.633 3.594 -3.451 17 HB ILE 4 HB ILE 4 2.315 4.784 -1.195 18 HG12 ILE 4 1HG1 ILE 4 0.413 4.963 0.349 19 HG13 ILE 4 2HG1 ILE 4 -0.474 3.764 -0.606 20 HG21 ILE 4 1HG2 ILE 4 -0.168 5.969 -1.708 21 HG22 ILE 4 2HG2 ILE 4 1.393 6.405 -2.402 22 HG23 ILE 4 3HG2 ILE 4 0.348 5.257 -3.237 23 HD11 ILE 4 3HD1 ILE 4 0.670 2.023 0.241 24 HD12 ILE 4 1HD1 ILE 4 2.180 2.926 0.355 25 HD13 ILE 4 2HD1 ILE 4 0.929 3.141 1.580 26 HA PRO 5 HA PRO 5 5.272 1.379 -2.404 27 HB2 PRO 5 1HB PRO 5 7.172 3.352 -2.386 28 HB3 PRO 5 2HB PRO 5 6.408 2.750 -3.856 29 HG2 PRO 5 1HG PRO 5 5.745 5.179 -2.227 30 HG3 PRO 5 2HG PRO 5 5.898 5.014 -4.015 31 HD2 PRO 5 1HD PRO 5 3.498 5.076 -2.749 32 HD3 PRO 5 2HD PRO 5 3.784 4.116 -4.211 33 H THR 6 H THR 6 6.588 0.789 -0.697 34 HA THR 6 HA THR 6 6.681 2.498 1.670 35 HB THR 6 HB THR 6 5.843 0.889 3.183 36 HG1 THR 6 1HG THR 6 5.887 -1.197 2.772 37 HG21 THR 6 3HG2 THR 6 4.086 2.064 1.948 38 HG22 THR 6 1HG2 THR 6 3.574 0.433 2.380 39 HG23 THR 6 2HG2 THR 6 4.083 0.789 0.729 40 H THR 7 H THR 7 7.883 0.939 3.463 41 HA THR 7 HA THR 7 10.541 0.781 2.561 42 HB THR 7 HB THR 7 10.867 -0.563 4.747 43 HG1 THR 7 1HG THR 7 8.308 0.459 5.379 44 HG21 THR 7 3HG2 THR 7 10.895 2.077 4.215 45 HG22 THR 7 1HG2 THR 7 11.229 1.407 5.811 46 HG23 THR 7 2HG2 THR 7 9.622 2.028 5.434 47 H SER 8 H SER 8 8.019 -1.646 2.896 48 HA SER 8 HA SER 8 9.853 -3.778 2.126 49 HB2 SER 8 1HB SER 8 8.139 -5.311 2.707 50 HB3 SER 8 2HB SER 8 8.060 -4.031 3.930 51 HG SER 8 HG SER 8 6.036 -3.950 3.357 52 H GLY 9 H GLY 9 8.164 -1.468 0.538 53 HA2 GLY 9 2HA GLY 9 8.376 -1.587 -1.921 54 HA3 GLY 9 3HA GLY 9 7.745 -3.223 -1.804 55 HA PRO 10 HA PRO 10 4.226 -0.390 -2.835 56 HB2 PRO 10 1HB PRO 10 3.208 -1.982 -4.817 57 HB3 PRO 10 2HB PRO 10 4.474 -0.787 -5.084 58 HG2 PRO 10 1HG PRO 10 4.712 -3.741 -4.630 59 HG3 PRO 10 2HG PRO 10 5.539 -2.706 -5.853 60 HD2 PRO 10 1HD PRO 10 6.761 -3.546 -3.580 61 HD3 PRO 10 2HD PRO 10 7.099 -1.973 -4.323 62 H ILE 11 H ILE 11 2.742 -0.593 -1.276 63 HA ILE 11 HA ILE 11 1.556 -3.248 -0.806 64 HB ILE 11 HB ILE 11 1.688 -0.902 1.092 65 HG12 ILE 11 1HG1 ILE 11 3.871 -1.949 0.763 66 HG13 ILE 11 2HG1 ILE 11 3.241 -2.308 2.380 67 HG21 ILE 11 1HG2 ILE 11 0.049 -3.272 1.043 68 HG22 ILE 11 2HG2 ILE 11 1.068 -3.237 2.481 69 HG23 ILE 11 3HG2 ILE 11 -0.011 -1.886 2.133 70 HD11 ILE 11 3HD1 ILE 11 4.065 -4.120 0.342 71 HD12 ILE 11 1HD1 ILE 11 3.567 -4.458 1.999 72 HD13 ILE 11 2HD1 ILE 11 2.362 -4.391 0.712 73 H CYS 12 H CYS 12 -0.569 -3.527 -1.117 74 HA CYS 12 HA CYS 12 -2.138 -1.189 -1.944 75 HB2 CYS 12 1HB CYS 12 -2.194 -4.095 -2.603 76 HB3 CYS 12 2HB CYS 12 -3.731 -3.227 -2.624 77 H LEU 13 H LEU 13 -3.760 -0.444 -0.738 78 HA LEU 13 HA LEU 13 -4.672 -2.093 1.527 79 HB2 LEU 13 1HB LEU 13 -3.962 0.767 1.274 80 HB3 LEU 13 2HB LEU 13 -5.398 0.401 2.246 81 HG LEU 13 HG LEU 13 -2.622 -0.678 2.734 82 HD11 LEU 13 1HD1 LEU 13 -3.787 1.811 3.396 83 HD12 LEU 13 2HD1 LEU 13 -2.234 1.155 3.913 84 HD13 LEU 13 3HD1 LEU 13 -3.681 0.862 4.879 85 HD21 LEU 13 3HD2 LEU 13 -3.821 -2.324 3.710 86 HD22 LEU 13 1HD2 LEU 13 -5.283 -1.343 3.821 87 HD23 LEU 13 2HD2 LEU 13 -3.990 -1.136 5.004 88 H ARG 14 H ARG 14 -6.859 -2.206 1.982 89 HA ARG 14 HA ARG 14 -8.608 -1.485 -0.246 90 HB2 ARG 14 1HB ARG 14 -9.126 -3.251 2.159 91 HB3 ARG 14 2HB ARG 14 -10.224 -3.018 0.790 92 HG2 ARG 14 1HG ARG 14 -7.498 -4.315 0.718 93 HG3 ARG 14 2HG ARG 14 -9.071 -5.112 0.544 94 HD2 ARG 14 1HD ARG 14 -7.942 -3.025 -1.339 95 HD3 ARG 14 2HD ARG 14 -7.954 -4.772 -1.620 96 HE ARG 14 HE ARG 14 -10.578 -4.051 -1.136 97 HH11 ARG 14 1HH1 ARG 14 -8.102 -3.304 -3.467 98 HH12 ARG 14 2HH1 ARG 14 -9.223 -3.001 -4.754 99 HH21 ARG 14 1HH2 ARG 14 -12.063 -3.653 -2.822 100 HH22 ARG 14 2HH2 ARG 14 -11.475 -3.199 -4.385 101 H ASP 15 H ASP 15 -7.617 0.473 1.736 102 HA ASP 15 HA ASP 15 -10.223 1.576 2.463 103 HB2 ASP 15 1HB ASP 15 -9.444 0.412 4.480 104 HB3 ASP 15 2HB ASP 15 -7.929 1.322 4.420 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -8.120 2.315 0.891 2 HA2 GLY 1 2HA GLY 1 -7.452 5.077 0.974 3 HA3 GLY 1 3HA GLY 1 -6.086 4.099 1.494 4 H HIS 2 H HIS 2 -4.831 3.140 -0.005 5 HA HIS 2 HA HIS 2 -5.698 2.447 -2.611 6 HB2 HIS 2 1HB HIS 2 -5.142 5.161 -2.318 7 HB3 HIS 2 2HB HIS 2 -3.674 4.495 -3.039 8 HD1 HIS 2 1HD HIS 2 -3.690 4.285 -5.503 9 HD2 HIS 2 2HD HIS 2 -7.535 4.371 -3.932 10 HE1 HIS 2 1HE HIS 2 -5.229 4.290 -7.492 11 H CYS 3 H CYS 3 -3.360 2.541 -4.032 12 HA CYS 3 HA CYS 3 -1.651 0.758 -2.447 13 HB2 CYS 3 1HB CYS 3 -1.623 1.128 -5.448 14 HB3 CYS 3 2HB CYS 3 -0.903 -0.188 -4.517 15 H ILE 4 H ILE 4 0.003 1.783 -1.527 16 HA ILE 4 HA ILE 4 1.554 3.665 -3.178 17 HB ILE 4 HB ILE 4 2.146 4.666 -0.810 18 HG12 ILE 4 1HG1 ILE 4 0.187 4.710 0.675 19 HG13 ILE 4 2HG1 ILE 4 -0.650 3.580 -0.402 20 HG21 ILE 4 1HG2 ILE 4 -0.481 5.665 -1.536 21 HG22 ILE 4 2HG2 ILE 4 1.091 6.460 -1.609 22 HG23 ILE 4 3HG2 ILE 4 0.563 5.429 -2.938 23 HD11 ILE 4 3HD1 ILE 4 0.689 2.806 1.779 24 HD12 ILE 4 1HD1 ILE 4 0.482 1.790 0.353 25 HD13 ILE 4 2HD1 ILE 4 1.979 2.694 0.583 26 HA PRO 5 HA PRO 5 5.157 1.367 -2.180 27 HB2 PRO 5 1HB PRO 5 7.049 3.332 -1.922 28 HB3 PRO 5 2HB PRO 5 6.344 2.854 -3.466 29 HG2 PRO 5 1HG PRO 5 5.613 5.140 -1.666 30 HG3 PRO 5 2HG PRO 5 5.834 5.124 -3.455 31 HD2 PRO 5 1HD PRO 5 3.387 5.082 -2.282 32 HD3 PRO 5 2HD PRO 5 3.732 4.246 -3.806 33 H THR 6 H THR 6 6.498 0.695 -0.494 34 HA THR 6 HA THR 6 6.403 2.171 2.027 35 HB THR 6 HB THR 6 5.611 0.380 3.342 36 HG1 THR 6 1HG THR 6 5.989 -1.614 2.762 37 HG21 THR 6 3HG2 THR 6 3.917 1.595 1.848 38 HG22 THR 6 1HG2 THR 6 3.405 0.083 2.597 39 HG23 THR 6 2HG2 THR 6 3.882 0.110 0.899 40 H THR 7 H THR 7 7.735 0.789 3.725 41 HA THR 7 HA THR 7 10.386 0.798 2.908 42 HB THR 7 HB THR 7 10.690 -0.774 4.982 43 HG1 THR 7 1HG THR 7 8.733 -1.483 5.518 44 HG21 THR 7 3HG2 THR 7 11.372 1.271 5.609 45 HG22 THR 7 1HG2 THR 7 9.777 1.427 6.344 46 HG23 THR 7 2HG2 THR 7 10.071 2.072 4.729 47 H SER 8 H SER 8 8.029 -1.799 2.868 48 HA SER 8 HA SER 8 10.039 -3.742 2.047 49 HB2 SER 8 1HB SER 8 7.879 -5.230 1.926 50 HB3 SER 8 2HB SER 8 8.549 -4.773 3.503 51 HG SER 8 HG SER 8 6.795 -3.702 3.908 52 H GLY 9 H GLY 9 7.639 -1.676 0.682 53 HA2 GLY 9 2HA GLY 9 8.286 -1.481 -1.836 54 HA3 GLY 9 3HA GLY 9 7.688 -3.133 -1.865 55 HA PRO 10 HA PRO 10 4.171 -0.244 -2.809 56 HB2 PRO 10 1HB PRO 10 3.328 -1.593 -5.039 57 HB3 PRO 10 2HB PRO 10 4.571 -0.343 -5.070 58 HG2 PRO 10 1HG PRO 10 4.875 -3.324 -4.978 59 HG3 PRO 10 2HG PRO 10 5.741 -2.122 -6.004 60 HD2 PRO 10 1HD PRO 10 6.845 -3.218 -3.779 61 HD3 PRO 10 2HD PRO 10 7.179 -1.555 -4.294 62 H ILE 11 H ILE 11 2.599 -0.681 -1.390 63 HA ILE 11 HA ILE 11 1.415 -3.380 -1.407 64 HB ILE 11 HB ILE 11 2.575 -2.785 0.718 65 HG12 ILE 11 1HG1 ILE 11 -0.411 -2.967 1.130 66 HG13 ILE 11 2HG1 ILE 11 0.546 -4.327 0.515 67 HG21 ILE 11 1HG2 ILE 11 0.351 -0.818 1.180 68 HG22 ILE 11 2HG2 ILE 11 1.816 -1.065 2.129 69 HG23 ILE 11 3HG2 ILE 11 1.916 -0.334 0.528 70 HD11 ILE 11 3HD1 ILE 11 1.613 -4.672 2.514 71 HD12 ILE 11 1HD1 ILE 11 1.372 -3.011 3.055 72 HD13 ILE 11 2HD1 ILE 11 0.020 -4.144 3.055 73 H CYS 12 H CYS 12 -0.768 -3.580 -1.577 74 HA CYS 12 HA CYS 12 -2.240 -1.140 -2.246 75 HB2 CYS 12 1HB CYS 12 -2.561 -4.047 -2.881 76 HB3 CYS 12 2HB CYS 12 -3.991 -3.014 -2.907 77 H LEU 13 H LEU 13 -3.046 -0.220 -0.450 78 HA LEU 13 HA LEU 13 -4.068 -1.801 1.738 79 HB2 LEU 13 1HB LEU 13 -3.606 1.089 1.193 80 HB3 LEU 13 2HB LEU 13 -4.817 0.658 2.414 81 HG LEU 13 HG LEU 13 -1.906 -0.140 2.465 82 HD11 LEU 13 1HD1 LEU 13 -2.107 2.202 2.899 83 HD12 LEU 13 2HD1 LEU 13 -1.841 1.380 4.436 84 HD13 LEU 13 3HD1 LEU 13 -3.457 1.934 4.001 85 HD21 LEU 13 3HD2 LEU 13 -2.627 -1.763 3.816 86 HD22 LEU 13 1HD2 LEU 13 -4.249 -1.078 3.914 87 HD23 LEU 13 2HD2 LEU 13 -2.975 -0.484 4.980 88 H ARG 14 H ARG 14 -6.179 -2.079 2.331 89 HA ARG 14 HA ARG 14 -8.163 -1.501 0.266 90 HB2 ARG 14 1HB ARG 14 -8.331 -3.252 2.731 91 HB3 ARG 14 2HB ARG 14 -9.588 -3.095 1.496 92 HG2 ARG 14 1HG ARG 14 -6.824 -4.250 1.128 93 HG3 ARG 14 2HG ARG 14 -8.364 -5.126 1.127 94 HD2 ARG 14 1HD ARG 14 -7.533 -3.015 -0.879 95 HD3 ARG 14 2HD ARG 14 -7.527 -4.764 -1.147 96 HE ARG 14 HE ARG 14 -10.101 -3.927 -0.345 97 HH11 ARG 14 1HH1 ARG 14 -7.920 -3.815 -3.055 98 HH12 ARG 14 2HH1 ARG 14 -9.185 -3.716 -4.235 99 HH21 ARG 14 1HH2 ARG 14 -11.775 -3.797 -1.889 100 HH22 ARG 14 2HH2 ARG 14 -11.377 -3.705 -3.571 101 H ASP 15 H ASP 15 -7.085 0.508 2.207 102 HA ASP 15 HA ASP 15 -9.685 1.503 3.104 103 HB2 ASP 15 1HB ASP 15 -8.233 0.291 4.952 104 HB3 ASP 15 2HB ASP 15 -7.367 1.833 4.963 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -8.153 2.308 0.874 2 HA2 GLY 1 2HA GLY 1 -7.448 5.069 1.072 3 HA3 GLY 1 3HA GLY 1 -6.124 4.030 1.581 4 H HIS 2 H HIS 2 -4.841 3.142 0.069 5 HA HIS 2 HA HIS 2 -5.659 2.553 -2.578 6 HB2 HIS 2 1HB HIS 2 -4.332 4.227 -3.786 7 HB3 HIS 2 2HB HIS 2 -5.612 4.985 -2.832 8 HD1 HIS 2 1HD HIS 2 -3.644 6.971 -3.424 9 HD2 HIS 2 2HD HIS 2 -2.999 4.296 -0.309 10 HE1 HIS 2 1HE HIS 2 -1.931 8.065 -1.941 11 H CYS 3 H CYS 3 -3.354 2.586 -3.973 12 HA CYS 3 HA CYS 3 -1.639 0.812 -2.383 13 HB2 CYS 3 1HB CYS 3 -1.670 1.141 -5.390 14 HB3 CYS 3 2HB CYS 3 -0.910 -0.153 -4.461 15 H ILE 4 H ILE 4 0.063 1.796 -1.520 16 HA ILE 4 HA ILE 4 1.600 3.655 -3.209 17 HB ILE 4 HB ILE 4 2.229 4.685 -0.863 18 HG12 ILE 4 1HG1 ILE 4 0.288 4.775 0.642 19 HG13 ILE 4 2HG1 ILE 4 -0.576 3.642 -0.411 20 HG21 ILE 4 1HG2 ILE 4 1.287 5.945 -2.696 21 HG22 ILE 4 2HG2 ILE 4 -0.316 5.297 -2.355 22 HG23 ILE 4 3HG2 ILE 4 0.462 6.376 -1.198 23 HD11 ILE 4 3HD1 ILE 4 2.052 2.736 0.560 24 HD12 ILE 4 1HD1 ILE 4 0.777 2.883 1.769 25 HD13 ILE 4 2HD1 ILE 4 0.542 1.849 0.360 26 HA PRO 5 HA PRO 5 5.191 1.337 -2.217 27 HB2 PRO 5 1HB PRO 5 7.106 3.286 -2.016 28 HB3 PRO 5 2HB PRO 5 6.377 2.790 -3.544 29 HG2 PRO 5 1HG PRO 5 5.690 5.112 -1.771 30 HG3 PRO 5 2HG PRO 5 5.891 5.065 -3.563 31 HD2 PRO 5 1HD PRO 5 3.457 5.067 -2.359 32 HD3 PRO 5 2HD PRO 5 3.775 4.204 -3.874 33 H THR 6 H THR 6 6.558 0.688 -0.540 34 HA THR 6 HA THR 6 6.499 2.201 1.958 35 HB THR 6 HB THR 6 5.713 0.437 3.312 36 HG1 THR 6 1HG THR 6 6.037 -1.577 2.764 37 HG21 THR 6 3HG2 THR 6 4.008 1.631 1.812 38 HG22 THR 6 1HG2 THR 6 3.498 0.135 2.594 39 HG23 THR 6 2HG2 THR 6 3.958 0.128 0.891 40 H THR 7 H THR 7 7.846 0.840 3.662 41 HA THR 7 HA THR 7 10.488 0.818 2.806 42 HB THR 7 HB THR 7 10.821 -0.700 4.909 43 HG1 THR 7 1HG THR 7 8.995 -1.320 5.767 44 HG21 THR 7 3HG2 THR 7 9.997 2.147 4.718 45 HG22 THR 7 1HG2 THR 7 11.512 1.444 5.282 46 HG23 THR 7 2HG2 THR 7 10.091 1.433 6.327 47 H SER 8 H SER 8 8.111 -1.756 2.845 48 HA SER 8 HA SER 8 10.097 -3.734 2.043 49 HB2 SER 8 1HB SER 8 8.119 -5.310 2.100 50 HB3 SER 8 2HB SER 8 8.504 -4.532 3.646 51 HG SER 8 HG SER 8 6.283 -4.416 3.261 52 H GLY 9 H GLY 9 7.700 -1.675 0.666 53 HA2 GLY 9 2HA GLY 9 8.313 -1.543 -1.865 54 HA3 GLY 9 3HA GLY 9 7.697 -3.189 -1.849 55 HA PRO 10 HA PRO 10 4.196 -0.286 -2.809 56 HB2 PRO 10 1HB PRO 10 3.306 -1.680 -4.992 57 HB3 PRO 10 2HB PRO 10 4.561 -0.445 -5.073 58 HG2 PRO 10 1HG PRO 10 4.834 -3.427 -4.914 59 HG3 PRO 10 2HG PRO 10 5.699 -2.259 -5.979 60 HD2 PRO 10 1HD PRO 10 6.824 -3.311 -3.745 61 HD3 PRO 10 2HD PRO 10 7.167 -1.666 -4.305 62 H ILE 11 H ILE 11 2.642 -0.672 -1.355 63 HA ILE 11 HA ILE 11 1.449 -3.366 -1.265 64 HB ILE 11 HB ILE 11 2.604 -2.664 0.830 65 HG12 ILE 11 1HG1 ILE 11 -0.404 -2.951 1.053 66 HG13 ILE 11 2HG1 ILE 11 0.740 -4.288 0.839 67 HG21 ILE 11 1HG2 ILE 11 0.373 -0.676 1.163 68 HG22 ILE 11 2HG2 ILE 11 1.805 -0.892 2.170 69 HG23 ILE 11 3HG2 ILE 11 1.963 -0.233 0.541 70 HD11 ILE 11 3HD1 ILE 11 1.823 -3.353 3.013 71 HD12 ILE 11 1HD1 ILE 11 0.241 -2.611 3.246 72 HD13 ILE 11 2HD1 ILE 11 0.379 -4.363 3.098 73 H CYS 12 H CYS 12 -0.740 -3.578 -1.399 74 HA CYS 12 HA CYS 12 -2.223 -1.161 -2.144 75 HB2 CYS 12 1HB CYS 12 -2.443 -4.055 -2.824 76 HB3 CYS 12 2HB CYS 12 -3.931 -3.105 -2.803 77 H LEU 13 H LEU 13 -3.224 -0.244 -0.472 78 HA LEU 13 HA LEU 13 -4.242 -1.869 1.715 79 HB2 LEU 13 1HB LEU 13 -3.707 1.021 1.255 80 HB3 LEU 13 2HB LEU 13 -4.969 0.592 2.425 81 HG LEU 13 HG LEU 13 -2.080 -0.274 2.559 82 HD11 LEU 13 1HD1 LEU 13 -1.968 1.222 4.494 83 HD12 LEU 13 2HD1 LEU 13 -3.622 1.748 4.180 84 HD13 LEU 13 3HD1 LEU 13 -2.348 2.099 3.012 85 HD21 LEU 13 3HD2 LEU 13 -3.042 -1.958 3.725 86 HD22 LEU 13 1HD2 LEU 13 -4.515 -1.044 4.048 87 HD23 LEU 13 2HD2 LEU 13 -3.064 -0.743 5.004 88 H ARG 14 H ARG 14 -6.371 -2.130 2.240 89 HA ARG 14 HA ARG 14 -8.288 -1.465 0.137 90 HB2 ARG 14 1HB ARG 14 -8.531 -3.284 2.546 91 HB3 ARG 14 2HB ARG 14 -9.777 -3.057 1.309 92 HG2 ARG 14 1HG ARG 14 -7.037 -4.265 0.921 93 HG3 ARG 14 2HG ARG 14 -8.600 -5.100 0.872 94 HD2 ARG 14 1HD ARG 14 -9.251 -3.694 -1.077 95 HD3 ARG 14 2HD ARG 14 -7.627 -2.993 -1.052 96 HE ARG 14 HE ARG 14 -6.850 -4.868 -2.095 97 HH11 ARG 14 1HH1 ARG 14 -9.928 -5.591 -0.639 98 HH12 ARG 14 2HH1 ARG 14 -10.031 -7.174 -1.334 99 HH21 ARG 14 1HH2 ARG 14 -6.975 -6.950 -3.016 100 HH22 ARG 14 2HH2 ARG 14 -8.351 -7.948 -2.685 101 H ASP 15 H ASP 15 -7.228 0.467 2.172 102 HA ASP 15 HA ASP 15 -9.838 1.481 3.024 103 HB2 ASP 15 1HB ASP 15 -8.280 0.225 4.848 104 HB3 ASP 15 2HB ASP 15 -7.645 1.871 4.976 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -6.793 2.276 2.872 2 HA2 GLY 1 2HA GLY 1 -6.912 4.930 1.855 3 HA3 GLY 1 3HA GLY 1 -5.451 4.005 2.164 4 H HIS 2 H HIS 2 -4.380 3.072 0.491 5 HA HIS 2 HA HIS 2 -5.541 2.520 -2.036 6 HB2 HIS 2 1HB HIS 2 -4.409 4.218 -3.383 7 HB3 HIS 2 2HB HIS 2 -5.518 4.967 -2.231 8 HD1 HIS 2 1HD HIS 2 -3.492 6.841 -3.214 9 HD2 HIS 2 2HD HIS 2 -2.708 4.310 -0.014 10 HE1 HIS 2 1HE HIS 2 -1.599 7.915 -1.955 11 H CYS 3 H CYS 3 -3.412 2.624 -3.713 12 HA CYS 3 HA CYS 3 -1.527 0.792 -2.408 13 HB2 CYS 3 1HB CYS 3 -2.061 1.249 -5.354 14 HB3 CYS 3 2HB CYS 3 -0.982 0.025 -4.678 15 H ILE 4 H ILE 4 0.222 1.809 -1.665 16 HA ILE 4 HA ILE 4 1.656 3.599 -3.499 17 HB ILE 4 HB ILE 4 2.348 4.803 -1.253 18 HG12 ILE 4 1HG1 ILE 4 0.451 5.008 0.291 19 HG13 ILE 4 2HG1 ILE 4 -0.449 3.812 -0.656 20 HG21 ILE 4 1HG2 ILE 4 1.378 5.944 -3.134 21 HG22 ILE 4 2HG2 ILE 4 -0.217 5.296 -2.754 22 HG23 ILE 4 3HG2 ILE 4 0.546 6.456 -1.665 23 HD11 ILE 4 3HD1 ILE 4 2.198 2.957 0.313 24 HD12 ILE 4 1HD1 ILE 4 0.948 3.192 1.535 25 HD13 ILE 4 2HD1 ILE 4 0.679 2.066 0.205 26 HA PRO 5 HA PRO 5 5.284 1.370 -2.437 27 HB2 PRO 5 1HB PRO 5 7.195 3.331 -2.440 28 HB3 PRO 5 2HB PRO 5 6.426 2.721 -3.903 29 HG2 PRO 5 1HG PRO 5 5.781 5.170 -2.296 30 HG3 PRO 5 2HG PRO 5 5.929 4.985 -4.082 31 HD2 PRO 5 1HD PRO 5 3.532 5.076 -2.813 32 HD3 PRO 5 2HD PRO 5 3.809 4.099 -4.266 33 H THR 6 H THR 6 6.597 0.786 -0.727 34 HA THR 6 HA THR 6 6.701 2.515 1.625 35 HB THR 6 HB THR 6 5.849 0.934 3.151 36 HG1 THR 6 1HG THR 6 5.698 -1.186 2.731 37 HG21 THR 6 3HG2 THR 6 4.069 0.668 0.728 38 HG22 THR 6 1HG2 THR 6 4.129 2.093 1.763 39 HG23 THR 6 2HG2 THR 6 3.589 0.548 2.420 40 H THR 7 H THR 7 7.899 0.965 3.429 41 HA THR 7 HA THR 7 10.555 0.784 2.517 42 HB THR 7 HB THR 7 10.887 -0.523 4.723 43 HG1 THR 7 1HG THR 7 9.002 -1.159 5.484 44 HG21 THR 7 3HG2 THR 7 11.586 1.634 4.944 45 HG22 THR 7 1HG2 THR 7 10.174 1.712 5.996 46 HG23 THR 7 2HG2 THR 7 10.071 2.304 4.338 47 H SER 8 H SER 8 8.021 -1.621 2.904 48 HA SER 8 HA SER 8 9.838 -3.776 2.160 49 HB2 SER 8 1HB SER 8 8.116 -5.290 2.772 50 HB3 SER 8 2HB SER 8 8.056 -3.992 3.978 51 HG SER 8 HG SER 8 5.981 -4.623 3.065 52 H GLY 9 H GLY 9 8.155 -1.484 0.543 53 HA2 GLY 9 2HA GLY 9 8.358 -1.651 -1.916 54 HA3 GLY 9 3HA GLY 9 7.705 -3.275 -1.765 55 HA PRO 10 HA PRO 10 4.218 -0.419 -2.833 56 HB2 PRO 10 1HB PRO 10 3.163 -2.043 -4.770 57 HB3 PRO 10 2HB PRO 10 4.444 -0.871 -5.074 58 HG2 PRO 10 1HG PRO 10 4.646 -3.818 -4.554 59 HG3 PRO 10 2HG PRO 10 5.477 -2.822 -5.806 60 HD2 PRO 10 1HD PRO 10 6.704 -3.627 -3.522 61 HD3 PRO 10 2HD PRO 10 7.058 -2.076 -4.303 62 H ILE 11 H ILE 11 2.743 -0.567 -1.258 63 HA ILE 11 HA ILE 11 1.542 -3.197 -0.697 64 HB ILE 11 HB ILE 11 1.666 -0.770 1.098 65 HG12 ILE 11 1HG1 ILE 11 3.848 -1.842 0.822 66 HG13 ILE 11 2HG1 ILE 11 3.210 -2.120 2.452 67 HG21 ILE 11 1HG2 ILE 11 -0.294 -1.876 1.697 68 HG22 ILE 11 2HG2 ILE 11 0.398 -3.468 1.394 69 HG23 ILE 11 3HG2 ILE 11 0.907 -2.540 2.805 70 HD11 ILE 11 3HD1 ILE 11 3.633 -4.270 2.148 71 HD12 ILE 11 1HD1 ILE 11 2.302 -4.293 0.991 72 HD13 ILE 11 2HD1 ILE 11 3.954 -4.031 0.430 73 H CYS 12 H CYS 12 -0.564 -3.496 -1.068 74 HA CYS 12 HA CYS 12 -2.148 -1.176 -1.924 75 HB2 CYS 12 1HB CYS 12 -2.138 -4.073 -2.621 76 HB3 CYS 12 2HB CYS 12 -3.690 -3.233 -2.664 77 H LEU 13 H LEU 13 -3.697 -0.421 -0.648 78 HA LEU 13 HA LEU 13 -4.685 -2.145 1.526 79 HB2 LEU 13 1HB LEU 13 -3.982 0.729 1.360 80 HB3 LEU 13 2HB LEU 13 -5.410 0.314 2.326 81 HG LEU 13 HG LEU 13 -2.622 -0.753 2.766 82 HD11 LEU 13 1HD1 LEU 13 -2.827 1.604 3.351 83 HD12 LEU 13 2HD1 LEU 13 -2.665 0.605 4.795 84 HD13 LEU 13 3HD1 LEU 13 -4.244 1.245 4.338 85 HD21 LEU 13 3HD2 LEU 13 -3.528 -2.322 4.043 86 HD22 LEU 13 1HD2 LEU 13 -5.133 -1.792 3.540 87 HD23 LEU 13 2HD2 LEU 13 -4.386 -1.097 4.979 88 H ARG 14 H ARG 14 -6.877 -2.272 1.935 89 HA ARG 14 HA ARG 14 -8.587 -1.471 -0.295 90 HB2 ARG 14 1HB ARG 14 -9.144 -3.314 2.042 91 HB3 ARG 14 2HB ARG 14 -10.227 -3.027 0.673 92 HG2 ARG 14 1HG ARG 14 -7.510 -4.340 0.584 93 HG3 ARG 14 2HG ARG 14 -9.087 -5.115 0.356 94 HD2 ARG 14 1HD ARG 14 -7.907 -2.972 -1.429 95 HD3 ARG 14 2HD ARG 14 -7.943 -4.706 -1.778 96 HE ARG 14 HE ARG 14 -10.089 -2.855 -2.106 97 HH11 ARG 14 1HH1 ARG 14 -9.334 -6.175 -1.373 98 HH12 ARG 14 2HH1 ARG 14 -10.851 -6.782 -1.948 99 HH21 ARG 14 1HH2 ARG 14 -12.090 -3.644 -2.865 100 HH22 ARG 14 2HH2 ARG 14 -12.418 -5.342 -2.797 101 H ASP 15 H ASP 15 -7.660 0.495 1.627 102 HA ASP 15 HA ASP 15 -10.256 1.571 2.370 103 HB2 ASP 15 1HB ASP 15 -8.969 0.204 4.303 104 HB3 ASP 15 2HB ASP 15 -8.215 1.789 4.512 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -6.918 2.145 1.229 2 HA2 GLY 1 2HA GLY 1 -8.131 4.699 0.639 3 HA3 GLY 1 3HA GLY 1 -6.437 4.807 1.096 4 H HIS 2 H HIS 2 -4.995 3.193 -0.134 5 HA HIS 2 HA HIS 2 -5.794 2.320 -2.709 6 HB2 HIS 2 1HB HIS 2 -5.377 5.036 -2.624 7 HB3 HIS 2 2HB HIS 2 -3.798 4.432 -3.136 8 HD1 HIS 2 1HD HIS 2 -3.618 4.556 -5.589 9 HD2 HIS 2 2HD HIS 2 -7.436 3.444 -4.385 10 HE1 HIS 2 1HE HIS 2 -4.907 4.173 -7.713 11 H CYS 3 H CYS 3 -3.392 2.426 -4.069 12 HA CYS 3 HA CYS 3 -1.722 0.720 -2.366 13 HB2 CYS 3 1HB CYS 3 -1.517 1.020 -5.364 14 HB3 CYS 3 2HB CYS 3 -0.890 -0.287 -4.357 15 H ILE 4 H ILE 4 -0.082 1.736 -1.424 16 HA ILE 4 HA ILE 4 1.449 3.686 -3.017 17 HB ILE 4 HB ILE 4 2.021 4.608 -0.610 18 HG12 ILE 4 1HG1 ILE 4 -0.845 3.954 -0.100 19 HG13 ILE 4 2HG1 ILE 4 0.364 2.702 0.232 20 HG21 ILE 4 1HG2 ILE 4 0.207 5.319 -2.681 21 HG22 ILE 4 2HG2 ILE 4 -0.522 5.735 -1.132 22 HG23 ILE 4 3HG2 ILE 4 1.067 6.372 -1.557 23 HD11 ILE 4 3HD1 ILE 4 1.575 4.393 1.646 24 HD12 ILE 4 1HD1 ILE 4 0.151 5.421 1.484 25 HD13 ILE 4 2HD1 ILE 4 0.016 3.844 2.263 26 HA PRO 5 HA PRO 5 5.096 1.425 -2.101 27 HB2 PRO 5 1HB PRO 5 6.949 3.415 -1.769 28 HB3 PRO 5 2HB PRO 5 6.253 2.984 -3.331 29 HG2 PRO 5 1HG PRO 5 5.477 5.184 -1.446 30 HG3 PRO 5 2HG PRO 5 5.699 5.240 -3.234 31 HD2 PRO 5 1HD PRO 5 3.253 5.105 -2.064 32 HD3 PRO 5 2HD PRO 5 3.615 4.336 -3.620 33 H THR 6 H THR 6 6.450 0.718 -0.441 34 HA THR 6 HA THR 6 6.326 2.095 2.133 35 HB THR 6 HB THR 6 5.564 0.246 3.380 36 HG1 THR 6 1HG THR 6 5.434 -1.816 2.561 37 HG21 THR 6 3HG2 THR 6 3.368 -0.058 2.625 38 HG22 THR 6 1HG2 THR 6 3.844 0.009 0.928 39 HG23 THR 6 2HG2 THR 6 3.855 1.477 1.905 40 H THR 7 H THR 7 7.690 0.695 3.780 41 HA THR 7 HA THR 7 10.339 0.775 2.963 42 HB THR 7 HB THR 7 10.689 -0.843 4.982 43 HG1 THR 7 1HG THR 7 8.747 -1.653 5.456 44 HG21 THR 7 3HG2 THR 7 10.099 1.971 4.778 45 HG22 THR 7 1HG2 THR 7 11.251 1.144 5.826 46 HG23 THR 7 2HG2 THR 7 9.574 1.337 6.339 47 H SER 8 H SER 8 8.029 -1.860 2.832 48 HA SER 8 HA SER 8 10.074 -3.738 1.944 49 HB2 SER 8 1HB SER 8 8.188 -5.384 1.922 50 HB3 SER 8 2HB SER 8 8.444 -4.617 3.499 51 HG SER 8 HG SER 8 6.488 -3.892 3.395 52 H GLY 9 H GLY 9 7.618 -1.683 0.656 53 HA2 GLY 9 2HA GLY 9 8.268 -1.387 -1.858 54 HA3 GLY 9 3HA GLY 9 7.694 -3.046 -1.941 55 HA PRO 10 HA PRO 10 4.133 -0.176 -2.779 56 HB2 PRO 10 1HB PRO 10 3.311 -1.450 -5.060 57 HB3 PRO 10 2HB PRO 10 4.534 -0.182 -5.042 58 HG2 PRO 10 1HG PRO 10 4.885 -3.161 -5.065 59 HG3 PRO 10 2HG PRO 10 5.732 -1.905 -6.043 60 HD2 PRO 10 1HD PRO 10 6.853 -3.068 -3.861 61 HD3 PRO 10 2HD PRO 10 7.161 -1.383 -4.311 62 H ILE 11 H ILE 11 2.569 -0.692 -1.377 63 HA ILE 11 HA ILE 11 1.422 -3.405 -1.506 64 HB ILE 11 HB ILE 11 2.587 -2.885 0.639 65 HG12 ILE 11 1HG1 ILE 11 -0.350 -3.093 1.218 66 HG13 ILE 11 2HG1 ILE 11 0.453 -4.372 0.292 67 HG21 ILE 11 1HG2 ILE 11 1.905 -0.445 0.577 68 HG22 ILE 11 2HG2 ILE 11 0.332 -0.970 1.173 69 HG23 ILE 11 3HG2 ILE 11 1.780 -1.253 2.139 70 HD11 ILE 11 3HD1 ILE 11 2.109 -3.954 2.482 71 HD12 ILE 11 1HD1 ILE 11 0.469 -3.889 3.129 72 HD13 ILE 11 2HD1 ILE 11 1.005 -5.304 2.221 73 H CYS 12 H CYS 12 -0.773 -3.626 -1.615 74 HA CYS 12 HA CYS 12 -2.269 -1.188 -2.225 75 HB2 CYS 12 1HB CYS 12 -2.633 -4.099 -2.849 76 HB3 CYS 12 2HB CYS 12 -4.028 -3.022 -2.899 77 H LEU 13 H LEU 13 -2.972 -0.299 -0.358 78 HA LEU 13 HA LEU 13 -4.089 -1.970 1.740 79 HB2 LEU 13 1HB LEU 13 -3.452 0.956 1.479 80 HB3 LEU 13 2HB LEU 13 -4.461 0.351 2.805 81 HG LEU 13 HG LEU 13 -1.603 -0.446 2.254 82 HD11 LEU 13 1HD1 LEU 13 -1.596 0.662 4.699 83 HD12 LEU 13 2HD1 LEU 13 -2.868 1.616 3.937 84 HD13 LEU 13 3HD1 LEU 13 -1.259 1.562 3.220 85 HD21 LEU 13 3HD2 LEU 13 -1.870 -1.468 4.574 86 HD22 LEU 13 1HD2 LEU 13 -2.621 -2.322 3.225 87 HD23 LEU 13 2HD2 LEU 13 -3.609 -1.336 4.305 88 H ARG 14 H ARG 14 -6.197 -2.287 2.101 89 HA ARG 14 HA ARG 14 -8.118 -1.411 0.184 90 HB2 ARG 14 1HB ARG 14 -8.476 -2.815 2.841 91 HB3 ARG 14 2HB ARG 14 -9.748 -2.590 1.632 92 HG2 ARG 14 1HG ARG 14 -7.226 -4.218 1.327 93 HG3 ARG 14 2HG ARG 14 -8.888 -4.818 1.454 94 HD2 ARG 14 1HD ARG 14 -9.459 -3.666 -0.657 95 HD3 ARG 14 2HD ARG 14 -7.779 -3.128 -0.783 96 HE ARG 14 HE ARG 14 -7.756 -5.903 -0.531 97 HH11 ARG 14 1HH1 ARG 14 -8.845 -3.482 -2.783 98 HH12 ARG 14 2HH1 ARG 14 -8.656 -4.502 -4.171 99 HH21 ARG 14 1HH2 ARG 14 -7.504 -7.255 -2.350 100 HH22 ARG 14 2HH2 ARG 14 -7.894 -6.648 -3.924 101 H ASP 15 H ASP 15 -6.781 0.083 2.852 102 HA ASP 15 HA ASP 15 -9.047 1.439 3.902 103 HB2 ASP 15 1HB ASP 15 -7.077 1.253 5.265 104 HB3 ASP 15 2HB ASP 15 -6.090 2.047 4.031 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -6.688 2.196 2.429 2 HA2 GLY 1 2HA GLY 1 -7.264 4.908 1.438 3 HA3 GLY 1 3HA GLY 1 -5.667 4.288 1.831 4 H HIS 2 H HIS 2 -4.427 3.652 0.196 5 HA HIS 2 HA HIS 2 -5.617 2.559 -2.220 6 HB2 HIS 2 1HB HIS 2 -3.747 4.932 -2.387 7 HB3 HIS 2 2HB HIS 2 -4.581 4.129 -3.722 8 HD1 HIS 2 1HD HIS 2 -7.000 4.777 -4.192 9 HD2 HIS 2 2HD HIS 2 -5.421 6.625 -0.822 10 HE1 HIS 2 1HE HIS 2 -8.663 6.553 -3.557 11 H CYS 3 H CYS 3 -3.395 2.602 -3.853 12 HA CYS 3 HA CYS 3 -1.593 0.816 -2.378 13 HB2 CYS 3 1HB CYS 3 -1.932 1.161 -5.370 14 HB3 CYS 3 2HB CYS 3 -0.949 -0.065 -4.568 15 H ILE 4 H ILE 4 0.123 1.848 -1.585 16 HA ILE 4 HA ILE 4 1.622 3.620 -3.392 17 HB ILE 4 HB ILE 4 2.305 4.772 -1.118 18 HG12 ILE 4 1HG1 ILE 4 0.398 4.954 0.420 19 HG13 ILE 4 2HG1 ILE 4 -0.496 3.772 -0.553 20 HG21 ILE 4 1HG2 ILE 4 1.350 5.967 -2.967 21 HG22 ILE 4 2HG2 ILE 4 -0.247 5.304 -2.629 22 HG23 ILE 4 3HG2 ILE 4 0.496 6.435 -1.498 23 HD11 ILE 4 3HD1 ILE 4 2.147 2.904 0.413 24 HD12 ILE 4 1HD1 ILE 4 0.893 3.116 1.633 25 HD13 ILE 4 2HD1 ILE 4 0.630 2.013 0.282 26 HA PRO 5 HA PRO 5 5.219 1.333 -2.347 27 HB2 PRO 5 1HB PRO 5 7.150 3.278 -2.296 28 HB3 PRO 5 2HB PRO 5 6.385 2.703 -3.777 29 HG2 PRO 5 1HG PRO 5 5.750 5.125 -2.123 30 HG3 PRO 5 2HG PRO 5 5.912 4.976 -3.912 31 HD2 PRO 5 1HD PRO 5 3.505 5.062 -2.660 32 HD3 PRO 5 2HD PRO 5 3.785 4.115 -4.131 33 H THR 6 H THR 6 6.605 0.762 -0.662 34 HA THR 6 HA THR 6 6.632 2.418 1.743 35 HB THR 6 HB THR 6 5.835 0.756 3.216 36 HG1 THR 6 1HG THR 6 6.146 -1.282 2.777 37 HG21 THR 6 3HG2 THR 6 3.594 0.429 2.542 38 HG22 THR 6 1HG2 THR 6 4.030 0.399 0.834 39 HG23 THR 6 2HG2 THR 6 4.113 1.911 1.739 40 H THR 7 H THR 7 7.879 0.861 3.506 41 HA THR 7 HA THR 7 10.543 0.801 2.601 42 HB THR 7 HB THR 7 10.903 -0.569 4.771 43 HG1 THR 7 1HG THR 7 9.071 -1.232 5.600 44 HG21 THR 7 3HG2 THR 7 10.899 2.070 4.272 45 HG22 THR 7 1HG2 THR 7 11.213 1.395 5.871 46 HG23 THR 7 2HG2 THR 7 9.605 1.998 5.468 47 H SER 8 H SER 8 8.085 -1.692 2.873 48 HA SER 8 HA SER 8 9.981 -3.769 2.103 49 HB2 SER 8 1HB SER 8 7.936 -5.267 2.315 50 HB3 SER 8 2HB SER 8 8.465 -4.462 3.804 51 HG SER 8 HG SER 8 6.188 -4.313 3.463 52 H GLY 9 H GLY 9 8.013 -1.534 0.591 53 HA2 GLY 9 2HA GLY 9 8.367 -1.618 -1.905 54 HA3 GLY 9 3HA GLY 9 7.723 -3.249 -1.796 55 HA PRO 10 HA PRO 10 4.236 -0.372 -2.826 56 HB2 PRO 10 1HB PRO 10 3.225 -1.926 -4.843 57 HB3 PRO 10 2HB PRO 10 4.501 -0.735 -5.079 58 HG2 PRO 10 1HG PRO 10 4.718 -3.698 -4.671 59 HG3 PRO 10 2HG PRO 10 5.561 -2.648 -5.869 60 HD2 PRO 10 1HD PRO 10 6.758 -3.531 -3.599 61 HD3 PRO 10 2HD PRO 10 7.111 -1.950 -4.313 62 H ILE 11 H ILE 11 2.737 -0.592 -1.282 63 HA ILE 11 HA ILE 11 1.542 -3.249 -0.850 64 HB ILE 11 HB ILE 11 1.643 -0.905 1.052 65 HG12 ILE 11 1HG1 ILE 11 3.083 -3.570 1.093 66 HG13 ILE 11 2HG1 ILE 11 3.825 -1.998 0.756 67 HG21 ILE 11 1HG2 ILE 11 0.566 -3.696 1.432 68 HG22 ILE 11 2HG2 ILE 11 0.711 -2.473 2.693 69 HG23 ILE 11 3HG2 ILE 11 -0.385 -2.213 1.335 70 HD11 ILE 11 3HD1 ILE 11 4.383 -2.245 2.949 71 HD12 ILE 11 1HD1 ILE 11 2.854 -1.382 3.112 72 HD13 ILE 11 2HD1 ILE 11 2.910 -3.131 3.341 73 H CYS 12 H CYS 12 -0.614 -3.526 -1.060 74 HA CYS 12 HA CYS 12 -2.167 -1.195 -1.955 75 HB2 CYS 12 1HB CYS 12 -2.207 -4.099 -2.622 76 HB3 CYS 12 2HB CYS 12 -3.745 -3.239 -2.655 77 H LEU 13 H LEU 13 -3.603 -0.374 -0.598 78 HA LEU 13 HA LEU 13 -4.601 -2.062 1.595 79 HB2 LEU 13 1HB LEU 13 -3.905 0.809 1.346 80 HB3 LEU 13 2HB LEU 13 -5.311 0.412 2.351 81 HG LEU 13 HG LEU 13 -2.509 -0.636 2.755 82 HD11 LEU 13 1HD1 LEU 13 -3.986 1.697 3.791 83 HD12 LEU 13 2HD1 LEU 13 -2.253 1.446 3.584 84 HD13 LEU 13 3HD1 LEU 13 -3.084 0.752 4.976 85 HD21 LEU 13 3HD2 LEU 13 -3.949 -2.304 3.553 86 HD22 LEU 13 1HD2 LEU 13 -5.107 -1.129 4.178 87 HD23 LEU 13 2HD2 LEU 13 -3.550 -1.342 4.978 88 H ARG 14 H ARG 14 -6.777 -2.230 2.010 89 HA ARG 14 HA ARG 14 -8.529 -1.447 -0.193 90 HB2 ARG 14 1HB ARG 14 -9.030 -3.282 2.163 91 HB3 ARG 14 2HB ARG 14 -10.142 -3.009 0.813 92 HG2 ARG 14 1HG ARG 14 -7.418 -4.302 0.679 93 HG3 ARG 14 2HG ARG 14 -8.994 -5.090 0.485 94 HD2 ARG 14 1HD ARG 14 -7.861 -2.947 -1.332 95 HD3 ARG 14 2HD ARG 14 -7.893 -4.683 -1.672 96 HE ARG 14 HE ARG 14 -10.506 -3.968 -1.152 97 HH11 ARG 14 1HH1 ARG 14 -8.038 -3.104 -3.452 98 HH12 ARG 14 2HH1 ARG 14 -9.163 -2.730 -4.715 99 HH21 ARG 14 1HH2 ARG 14 -11.997 -3.478 -2.808 100 HH22 ARG 14 2HH2 ARG 14 -11.413 -2.942 -4.348 101 H ASP 15 H ASP 15 -7.530 0.422 1.914 102 HA ASP 15 HA ASP 15 -10.158 1.459 2.707 103 HB2 ASP 15 1HB ASP 15 -8.577 0.254 4.546 104 HB3 ASP 15 2HB ASP 15 -7.956 1.907 4.636 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -6.705 2.370 2.850 2 HA2 GLY 1 2HA GLY 1 -6.880 4.977 1.743 3 HA3 GLY 1 3HA GLY 1 -5.399 4.079 2.040 4 H HIS 2 H HIS 2 -4.368 3.087 0.370 5 HA HIS 2 HA HIS 2 -5.589 2.472 -2.114 6 HB2 HIS 2 1HB HIS 2 -5.068 5.156 -1.866 7 HB3 HIS 2 2HB HIS 2 -3.603 4.569 -2.657 8 HD1 HIS 2 1HD HIS 2 -3.750 4.765 -5.104 9 HD2 HIS 2 2HD HIS 2 -7.449 3.915 -3.413 10 HE1 HIS 2 1HE HIS 2 -5.358 4.638 -7.034 11 H CYS 3 H CYS 3 -3.424 2.645 -3.821 12 HA CYS 3 HA CYS 3 -1.577 0.748 -2.556 13 HB2 CYS 3 1HB CYS 3 -1.952 1.328 -5.503 14 HB3 CYS 3 2HB CYS 3 -1.038 -0.005 -4.795 15 H ILE 4 H ILE 4 0.161 1.723 -1.735 16 HA ILE 4 HA ILE 4 1.664 3.547 -3.476 17 HB ILE 4 HB ILE 4 2.289 4.701 -1.182 18 HG12 ILE 4 1HG1 ILE 4 0.344 4.896 0.298 19 HG13 ILE 4 2HG1 ILE 4 -0.538 3.731 -0.704 20 HG21 ILE 4 1HG2 ILE 4 0.560 6.396 -1.636 21 HG22 ILE 4 2HG2 ILE 4 1.378 5.858 -3.102 22 HG23 ILE 4 3HG2 ILE 4 -0.239 5.263 -2.726 23 HD11 ILE 4 3HD1 ILE 4 2.063 2.823 0.339 24 HD12 ILE 4 1HD1 ILE 4 0.772 3.046 1.520 25 HD13 ILE 4 2HD1 ILE 4 0.541 1.952 0.155 26 HA PRO 5 HA PRO 5 5.233 1.263 -2.332 27 HB2 PRO 5 1HB PRO 5 7.162 3.205 -2.233 28 HB3 PRO 5 2HB PRO 5 6.437 2.630 -3.733 29 HG2 PRO 5 1HG PRO 5 5.759 5.055 -2.101 30 HG3 PRO 5 2HG PRO 5 5.967 4.902 -3.886 31 HD2 PRO 5 1HD PRO 5 3.528 4.992 -2.699 32 HD3 PRO 5 2HD PRO 5 3.847 4.041 -4.159 33 H THR 6 H THR 6 6.533 0.667 -0.601 34 HA THR 6 HA THR 6 6.512 2.337 1.799 35 HB THR 6 HB THR 6 5.657 0.692 3.250 36 HG1 THR 6 1HG THR 6 5.336 -1.256 1.254 37 HG21 THR 6 3HG2 THR 6 3.963 0.353 0.780 38 HG22 THR 6 1HG2 THR 6 3.968 1.821 1.756 39 HG23 THR 6 2HG2 THR 6 3.443 0.293 2.463 40 H THR 7 H THR 7 7.814 1.056 3.591 41 HA THR 7 HA THR 7 10.456 0.918 2.783 42 HB THR 7 HB THR 7 10.716 -0.538 4.942 43 HG1 THR 7 1HG THR 7 8.215 0.557 5.606 44 HG21 THR 7 3HG2 THR 7 10.488 1.488 6.335 45 HG22 THR 7 1HG2 THR 7 9.641 2.284 5.010 46 HG23 THR 7 2HG2 THR 7 11.329 1.810 4.820 47 H SER 8 H SER 8 8.029 -1.616 2.912 48 HA SER 8 HA SER 8 9.985 -3.651 2.178 49 HB2 SER 8 1HB SER 8 7.769 -5.080 2.171 50 HB3 SER 8 2HB SER 8 8.511 -4.583 3.703 51 HG SER 8 HG SER 8 6.133 -3.780 2.553 52 H GLY 9 H GLY 9 7.572 -1.637 0.741 53 HA2 GLY 9 2HA GLY 9 8.190 -1.600 -1.800 54 HA3 GLY 9 3HA GLY 9 7.554 -3.236 -1.718 55 HA PRO 10 HA PRO 10 4.087 -0.318 -2.766 56 HB2 PRO 10 1HB PRO 10 3.180 -1.758 -4.912 57 HB3 PRO 10 2HB PRO 10 4.449 -0.542 -5.023 58 HG2 PRO 10 1HG PRO 10 4.689 -3.521 -4.783 59 HG3 PRO 10 2HG PRO 10 5.566 -2.391 -5.882 60 HD2 PRO 10 1HD PRO 10 6.682 -3.395 -3.621 61 HD3 PRO 10 2HD PRO 10 7.042 -1.769 -4.225 62 H ILE 11 H ILE 11 2.530 -0.646 -1.301 63 HA ILE 11 HA ILE 11 1.311 -3.324 -1.134 64 HB ILE 11 HB ILE 11 1.344 -1.222 1.031 65 HG12 ILE 11 1HG1 ILE 11 2.974 -3.763 0.779 66 HG13 ILE 11 2HG1 ILE 11 3.602 -2.118 0.584 67 HG21 ILE 11 1HG2 ILE 11 -0.206 -3.573 0.645 68 HG22 ILE 11 2HG2 ILE 11 0.881 -3.838 2.007 69 HG23 ILE 11 3HG2 ILE 11 -0.216 -2.458 2.010 70 HD11 ILE 11 3HD1 ILE 11 4.211 -2.529 2.739 71 HD12 ILE 11 1HD1 ILE 11 2.628 -1.793 2.997 72 HD13 ILE 11 2HD1 ILE 11 2.807 -3.547 3.060 73 H CYS 12 H CYS 12 -0.804 -3.519 -1.546 74 HA CYS 12 HA CYS 12 -2.289 -1.100 -2.238 75 HB2 CYS 12 1HB CYS 12 -2.487 -3.992 -2.934 76 HB3 CYS 12 2HB CYS 12 -3.981 -3.050 -2.938 77 H LEU 13 H LEU 13 -3.138 -0.204 -0.439 78 HA LEU 13 HA LEU 13 -4.222 -1.789 1.700 79 HB2 LEU 13 1HB LEU 13 -3.914 1.127 1.126 80 HB3 LEU 13 2HB LEU 13 -5.065 0.610 2.371 81 HG LEU 13 HG LEU 13 -2.781 1.285 3.190 82 HD11 LEU 13 1HD1 LEU 13 -3.714 0.173 4.891 83 HD12 LEU 13 2HD1 LEU 13 -2.645 -1.146 4.416 84 HD13 LEU 13 3HD1 LEU 13 -4.315 -1.117 3.848 85 HD21 LEU 13 3HD2 LEU 13 -1.958 -1.375 2.039 86 HD22 LEU 13 1HD2 LEU 13 -0.951 -0.239 2.936 87 HD23 LEU 13 2HD2 LEU 13 -1.543 0.186 1.329 88 H ARG 14 H ARG 14 -6.333 -2.180 2.190 89 HA ARG 14 HA ARG 14 -8.258 -1.694 0.051 90 HB2 ARG 14 1HB ARG 14 -8.505 -3.385 2.552 91 HB3 ARG 14 2HB ARG 14 -9.661 -3.331 1.213 92 HG2 ARG 14 1HG ARG 14 -6.833 -4.381 1.138 93 HG3 ARG 14 2HG ARG 14 -8.337 -5.307 0.996 94 HD2 ARG 14 1HD ARG 14 -8.872 -4.063 -1.089 95 HD3 ARG 14 2HD ARG 14 -7.304 -3.255 -0.957 96 HE ARG 14 HE ARG 14 -6.294 -5.149 -1.754 97 HH11 ARG 14 1HH1 ARG 14 -9.534 -5.922 -0.738 98 HH12 ARG 14 2HH1 ARG 14 -9.492 -7.528 -1.384 99 HH21 ARG 14 1HH2 ARG 14 -6.229 -7.262 -2.609 100 HH22 ARG 14 2HH2 ARG 14 -7.612 -8.290 -2.448 101 H ASP 15 H ASP 15 -7.555 0.593 1.476 102 HA ASP 15 HA ASP 15 -10.126 1.504 2.311 103 HB2 ASP 15 1HB ASP 15 -9.055 0.250 4.339 104 HB3 ASP 15 2HB ASP 15 -8.062 1.706 4.477 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -6.665 2.105 1.584 2 HA2 GLY 1 2HA GLY 1 -7.709 4.808 1.098 3 HA3 GLY 1 3HA GLY 1 -6.008 4.615 1.496 4 H HIS 2 H HIS 2 -4.741 3.171 0.054 5 HA HIS 2 HA HIS 2 -5.710 2.475 -2.518 6 HB2 HIS 2 1HB HIS 2 -5.208 5.173 -2.288 7 HB3 HIS 2 2HB HIS 2 -3.690 4.558 -2.947 8 HD1 HIS 2 1HD HIS 2 -3.739 5.037 -5.372 9 HD2 HIS 2 2HD HIS 2 -7.374 3.552 -4.013 10 HE1 HIS 2 1HE HIS 2 -5.170 4.775 -7.425 11 H CYS 3 H CYS 3 -3.408 2.584 -4.017 12 HA CYS 3 HA CYS 3 -1.668 0.766 -2.507 13 HB2 CYS 3 1HB CYS 3 -1.817 1.201 -5.500 14 HB3 CYS 3 2HB CYS 3 -0.922 -0.071 -4.665 15 H ILE 4 H ILE 4 -0.004 1.785 -1.596 16 HA ILE 4 HA ILE 4 1.552 3.647 -3.263 17 HB ILE 4 HB ILE 4 2.144 4.683 -0.910 18 HG12 ILE 4 1HG1 ILE 4 0.181 4.768 0.567 19 HG13 ILE 4 2HG1 ILE 4 -0.664 3.628 -0.496 20 HG21 ILE 4 1HG2 ILE 4 -0.499 5.389 -2.156 21 HG22 ILE 4 2HG2 ILE 4 0.664 6.458 -1.372 22 HG23 ILE 4 3HG2 ILE 4 1.043 5.738 -2.937 23 HD11 ILE 4 3HD1 ILE 4 1.954 2.737 0.514 24 HD12 ILE 4 1HD1 ILE 4 0.658 2.876 1.703 25 HD13 ILE 4 2HD1 ILE 4 0.453 1.841 0.289 26 HA PRO 5 HA PRO 5 5.135 1.340 -2.213 27 HB2 PRO 5 1HB PRO 5 7.040 3.293 -1.986 28 HB3 PRO 5 2HB PRO 5 6.337 2.796 -3.523 29 HG2 PRO 5 1HG PRO 5 5.617 5.117 -1.764 30 HG3 PRO 5 2HG PRO 5 5.844 5.069 -3.553 31 HD2 PRO 5 1HD PRO 5 3.393 5.065 -2.386 32 HD3 PRO 5 2HD PRO 5 3.736 4.201 -3.895 33 H THR 6 H THR 6 6.468 0.691 -0.513 34 HA THR 6 HA THR 6 6.366 2.209 1.984 35 HB THR 6 HB THR 6 5.571 0.440 3.324 36 HG1 THR 6 1HG THR 6 5.316 -1.370 1.192 37 HG21 THR 6 3HG2 THR 6 3.373 -0.033 2.454 38 HG22 THR 6 1HG2 THR 6 3.909 0.298 0.807 39 HG23 THR 6 2HG2 THR 6 3.824 1.607 1.987 40 H THR 7 H THR 7 7.707 0.889 3.707 41 HA THR 7 HA THR 7 10.355 0.874 2.896 42 HB THR 7 HB THR 7 10.660 -0.650 5.002 43 HG1 THR 7 1HG THR 7 8.858 -0.623 6.365 44 HG21 THR 7 3HG2 THR 7 11.291 1.625 5.118 45 HG22 THR 7 1HG2 THR 7 10.188 1.375 6.469 46 HG23 THR 7 2HG2 THR 7 9.620 2.176 5.003 47 H SER 8 H SER 8 7.999 -1.718 2.891 48 HA SER 8 HA SER 8 10.014 -3.680 2.123 49 HB2 SER 8 1HB SER 8 8.030 -5.263 2.130 50 HB3 SER 8 2HB SER 8 8.410 -4.509 3.688 51 HG SER 8 HG SER 8 6.228 -4.302 3.400 52 H GLY 9 H GLY 9 7.584 -1.667 0.713 53 HA2 GLY 9 2HA GLY 9 8.257 -1.518 -1.811 54 HA3 GLY 9 3HA GLY 9 7.652 -3.168 -1.805 55 HA PRO 10 HA PRO 10 4.149 -0.284 -2.821 56 HB2 PRO 10 1HB PRO 10 3.309 -1.672 -5.027 57 HB3 PRO 10 2HB PRO 10 4.556 -0.428 -5.077 58 HG2 PRO 10 1HG PRO 10 4.850 -3.410 -4.928 59 HG3 PRO 10 2HG PRO 10 5.724 -2.229 -5.972 60 HD2 PRO 10 1HD PRO 10 6.817 -3.285 -3.724 61 HD3 PRO 10 2HD PRO 10 7.158 -1.634 -4.268 62 H ILE 11 H ILE 11 2.570 -0.687 -1.398 63 HA ILE 11 HA ILE 11 1.380 -3.384 -1.364 64 HB ILE 11 HB ILE 11 1.368 -1.408 0.917 65 HG12 ILE 11 1HG1 ILE 11 3.651 -2.191 0.422 66 HG13 ILE 11 2HG1 ILE 11 3.060 -2.813 1.971 67 HG21 ILE 11 1HG2 ILE 11 0.679 -4.343 0.865 68 HG22 ILE 11 2HG2 ILE 11 0.545 -3.247 2.240 69 HG23 ILE 11 3HG2 ILE 11 -0.499 -3.031 0.835 70 HD11 ILE 11 3HD1 ILE 11 2.424 -4.661 -0.126 71 HD12 ILE 11 1HD1 ILE 11 4.147 -4.283 -0.136 72 HD13 ILE 11 2HD1 ILE 11 3.389 -4.902 1.331 73 H CYS 12 H CYS 12 -0.816 -3.584 -1.482 74 HA CYS 12 HA CYS 12 -2.285 -1.138 -2.173 75 HB2 CYS 12 1HB CYS 12 -2.630 -4.039 -2.875 76 HB3 CYS 12 2HB CYS 12 -3.995 -2.928 -3.003 77 H LEU 13 H LEU 13 -3.051 -0.316 -0.294 78 HA LEU 13 HA LEU 13 -4.269 -2.064 1.683 79 HB2 LEU 13 1HB LEU 13 -3.629 0.873 1.579 80 HB3 LEU 13 2HB LEU 13 -4.655 0.189 2.853 81 HG LEU 13 HG LEU 13 -2.734 -1.335 3.435 82 HD11 LEU 13 1HD1 LEU 13 -1.365 0.441 1.437 83 HD12 LEU 13 2HD1 LEU 13 -1.403 -1.321 1.498 84 HD13 LEU 13 3HD1 LEU 13 -0.485 -0.416 2.703 85 HD21 LEU 13 3HD2 LEU 13 -2.502 0.161 5.056 86 HD22 LEU 13 1HD2 LEU 13 -3.158 1.428 4.019 87 HD23 LEU 13 2HD2 LEU 13 -1.426 1.096 4.017 88 H ARG 14 H ARG 14 -6.389 -2.395 1.914 89 HA ARG 14 HA ARG 14 -8.216 -1.395 -0.035 90 HB2 ARG 14 1HB ARG 14 -8.700 -2.951 2.517 91 HB3 ARG 14 2HB ARG 14 -9.918 -2.642 1.271 92 HG2 ARG 14 1HG ARG 14 -7.391 -4.267 0.969 93 HG3 ARG 14 2HG ARG 14 -9.059 -4.865 0.999 94 HD2 ARG 14 1HD ARG 14 -9.545 -3.585 -1.060 95 HD3 ARG 14 2HD ARG 14 -7.858 -3.054 -1.091 96 HE ARG 14 HE ARG 14 -7.757 -5.801 -1.013 97 HH11 ARG 14 1HH1 ARG 14 -9.127 -3.387 -3.115 98 HH12 ARG 14 2HH1 ARG 14 -8.981 -4.359 -4.541 99 HH21 ARG 14 1HH2 ARG 14 -7.560 -7.090 -2.885 100 HH22 ARG 14 2HH2 ARG 14 -8.091 -6.465 -4.409 101 H ASP 15 H ASP 15 -6.998 -0.071 2.779 102 HA ASP 15 HA ASP 15 -9.355 1.290 3.689 103 HB2 ASP 15 1HB ASP 15 -6.676 0.898 4.612 104 HB3 ASP 15 2HB ASP 15 -7.009 2.634 4.576 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -6.754 2.412 2.615 2 HA2 GLY 1 2HA GLY 1 -7.279 5.033 1.540 3 HA3 GLY 1 3HA GLY 1 -5.702 4.359 1.928 4 H HIS 2 H HIS 2 -4.558 3.217 0.362 5 HA HIS 2 HA HIS 2 -5.619 2.556 -2.183 6 HB2 HIS 2 1HB HIS 2 -4.477 4.204 -3.562 7 HB3 HIS 2 2HB HIS 2 -5.588 5.009 -2.447 8 HD1 HIS 2 1HD HIS 2 -3.082 4.340 -0.204 9 HD2 HIS 2 2HD HIS 2 -3.255 6.892 -3.479 10 HE1 HIS 2 1HE HIS 2 -1.299 6.069 0.196 11 H CYS 3 H CYS 3 -3.408 2.634 -3.775 12 HA CYS 3 HA CYS 3 -1.583 0.843 -2.334 13 HB2 CYS 3 1HB CYS 3 -1.875 1.226 -5.324 14 HB3 CYS 3 2HB CYS 3 -0.967 -0.046 -4.502 15 H ILE 4 H ILE 4 0.249 1.711 -1.647 16 HA ILE 4 HA ILE 4 1.689 3.563 -3.406 17 HB ILE 4 HB ILE 4 2.364 4.711 -1.118 18 HG12 ILE 4 1HG1 ILE 4 0.444 4.914 0.392 19 HG13 ILE 4 2HG1 ILE 4 -0.464 3.763 -0.603 20 HG21 ILE 4 1HG2 ILE 4 0.567 6.388 -1.530 21 HG22 ILE 4 2HG2 ILE 4 1.469 5.926 -2.972 22 HG23 ILE 4 3HG2 ILE 4 -0.142 5.267 -2.692 23 HD11 ILE 4 3HD1 ILE 4 0.880 3.060 1.601 24 HD12 ILE 4 1HD1 ILE 4 0.598 1.971 0.244 25 HD13 ILE 4 2HD1 ILE 4 2.140 2.815 0.391 26 HA PRO 5 HA PRO 5 5.290 1.293 -2.343 27 HB2 PRO 5 1HB PRO 5 7.215 3.242 -2.276 28 HB3 PRO 5 2HB PRO 5 6.459 2.668 -3.763 29 HG2 PRO 5 1HG PRO 5 5.809 5.084 -2.109 30 HG3 PRO 5 2HG PRO 5 5.979 4.940 -3.897 31 HD2 PRO 5 1HD PRO 5 3.565 5.015 -2.658 32 HD3 PRO 5 2HD PRO 5 3.858 4.072 -4.129 33 H THR 6 H THR 6 6.620 0.689 -0.640 34 HA THR 6 HA THR 6 6.655 2.352 1.763 35 HB THR 6 HB THR 6 5.822 0.711 3.230 36 HG1 THR 6 1HG THR 6 6.216 -1.317 2.806 37 HG21 THR 6 3HG2 THR 6 4.134 1.849 1.683 38 HG22 THR 6 1HG2 THR 6 3.593 0.406 2.537 39 HG23 THR 6 2HG2 THR 6 4.046 0.306 0.836 40 H THR 7 H THR 7 7.976 1.034 3.529 41 HA THR 7 HA THR 7 10.604 0.896 2.677 42 HB THR 7 HB THR 7 10.870 -0.613 4.814 43 HG1 THR 7 1HG THR 7 9.096 -0.890 5.955 44 HG21 THR 7 3HG2 THR 7 11.351 1.298 5.930 45 HG22 THR 7 1HG2 THR 7 9.789 2.031 5.567 46 HG23 THR 7 2HG2 THR 7 11.070 2.037 4.354 47 H SER 8 H SER 8 8.200 -1.670 2.916 48 HA SER 8 HA SER 8 10.123 -3.689 2.096 49 HB2 SER 8 1HB SER 8 7.874 -5.089 2.089 50 HB3 SER 8 2HB SER 8 8.672 -4.653 3.610 51 HG SER 8 HG SER 8 7.162 -3.158 4.009 52 H GLY 9 H GLY 9 7.729 -1.637 0.696 53 HA2 GLY 9 2HA GLY 9 8.304 -1.573 -1.845 54 HA3 GLY 9 3HA GLY 9 7.685 -3.217 -1.779 55 HA PRO 10 HA PRO 10 4.173 -0.346 -2.778 56 HB2 PRO 10 1HB PRO 10 3.235 -1.825 -4.883 57 HB3 PRO 10 2HB PRO 10 4.494 -0.601 -5.039 58 HG2 PRO 10 1HG PRO 10 4.757 -3.576 -4.759 59 HG3 PRO 10 2HG PRO 10 5.606 -2.458 -5.890 60 HD2 PRO 10 1HD PRO 10 6.770 -3.422 -3.636 61 HD3 PRO 10 2HD PRO 10 7.109 -1.804 -4.270 62 H ILE 11 H ILE 11 2.646 -0.662 -1.279 63 HA ILE 11 HA ILE 11 1.462 -3.349 -1.032 64 HB ILE 11 HB ILE 11 1.558 -1.166 1.054 65 HG12 ILE 11 1HG1 ILE 11 2.998 -3.828 0.952 66 HG13 ILE 11 2HG1 ILE 11 3.747 -2.260 0.603 67 HG21 ILE 11 1HG2 ILE 11 -0.456 -2.540 1.205 68 HG22 ILE 11 2HG2 ILE 11 0.535 -3.997 1.230 69 HG23 ILE 11 3HG2 ILE 11 0.628 -2.845 2.561 70 HD11 ILE 11 3HD1 ILE 11 2.876 -3.393 3.211 71 HD12 ILE 11 1HD1 ILE 11 4.371 -2.561 2.781 72 HD13 ILE 11 2HD1 ILE 11 2.878 -1.644 2.989 73 H CYS 12 H CYS 12 -0.704 -3.595 -1.229 74 HA CYS 12 HA CYS 12 -2.232 -1.205 -1.995 75 HB2 CYS 12 1HB CYS 12 -2.336 -4.085 -2.758 76 HB3 CYS 12 2HB CYS 12 -3.860 -3.195 -2.738 77 H LEU 13 H LEU 13 -3.611 -0.398 -0.573 78 HA LEU 13 HA LEU 13 -4.602 -2.135 1.582 79 HB2 LEU 13 1HB LEU 13 -3.950 0.761 1.376 80 HB3 LEU 13 2HB LEU 13 -5.279 0.288 2.449 81 HG LEU 13 HG LEU 13 -2.431 -0.691 2.646 82 HD11 LEU 13 1HD1 LEU 13 -3.968 1.216 4.403 83 HD12 LEU 13 2HD1 LEU 13 -2.702 1.670 3.263 84 HD13 LEU 13 3HD1 LEU 13 -2.313 0.660 4.655 85 HD21 LEU 13 3HD2 LEU 13 -4.956 -1.419 4.041 86 HD22 LEU 13 1HD2 LEU 13 -3.461 -1.371 4.974 87 HD23 LEU 13 2HD2 LEU 13 -3.590 -2.431 3.570 88 H ARG 14 H ARG 14 -6.771 -2.308 2.024 89 HA ARG 14 HA ARG 14 -8.555 -1.463 -0.130 90 HB2 ARG 14 1HB ARG 14 -9.025 -3.348 2.193 91 HB3 ARG 14 2HB ARG 14 -10.161 -3.037 0.872 92 HG2 ARG 14 1HG ARG 14 -7.449 -4.347 0.657 93 HG3 ARG 14 2HG ARG 14 -9.035 -5.115 0.468 94 HD2 ARG 14 1HD ARG 14 -7.911 -2.939 -1.311 95 HD3 ARG 14 2HD ARG 14 -7.970 -4.666 -1.696 96 HE ARG 14 HE ARG 14 -10.560 -4.014 -1.148 97 HH11 ARG 14 1HH1 ARG 14 -8.136 -2.812 -3.337 98 HH12 ARG 14 2HH1 ARG 14 -9.281 -2.316 -4.539 99 HH21 ARG 14 1HH2 ARG 14 -12.078 -3.365 -2.724 100 HH22 ARG 14 2HH2 ARG 14 -11.523 -2.631 -4.189 101 H ASP 15 H ASP 15 -7.630 0.552 1.639 102 HA ASP 15 HA ASP 15 -10.200 1.501 2.628 103 HB2 ASP 15 1HB ASP 15 -8.620 0.310 4.444 104 HB3 ASP 15 2HB ASP 15 -7.924 1.933 4.488 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -8.131 2.274 0.873 2 HA2 GLY 1 2HA GLY 1 -7.405 5.046 1.075 3 HA3 GLY 1 3HA GLY 1 -6.104 3.970 1.563 4 H HIS 2 H HIS 2 -4.827 3.122 0.033 5 HA HIS 2 HA HIS 2 -5.664 2.550 -2.613 6 HB2 HIS 2 1HB HIS 2 -4.402 4.237 -3.836 7 HB3 HIS 2 2HB HIS 2 -5.614 5.005 -2.806 8 HD1 HIS 2 1HD HIS 2 -3.286 4.246 -0.382 9 HD2 HIS 2 2HD HIS 2 -3.243 6.953 -3.533 10 HE1 HIS 2 1HE HIS 2 -1.568 5.973 0.240 11 H CYS 3 H CYS 3 -3.356 2.623 -4.020 12 HA CYS 3 HA CYS 3 -1.632 0.829 -2.462 13 HB2 CYS 3 1HB CYS 3 -1.643 1.199 -5.463 14 HB3 CYS 3 2HB CYS 3 -0.924 -0.124 -4.542 15 H ILE 4 H ILE 4 0.115 1.747 -1.628 16 HA ILE 4 HA ILE 4 1.643 3.628 -3.291 17 HB ILE 4 HB ILE 4 2.239 4.676 -0.937 18 HG12 ILE 4 1HG1 ILE 4 0.261 4.805 0.515 19 HG13 ILE 4 2HG1 ILE 4 -0.591 3.675 -0.550 20 HG21 ILE 4 1HG2 ILE 4 1.417 6.015 -2.705 21 HG22 ILE 4 2HG2 ILE 4 -0.179 5.271 -2.622 22 HG23 ILE 4 3HG2 ILE 4 0.370 6.328 -1.322 23 HD11 ILE 4 3HD1 ILE 4 0.464 1.873 0.273 24 HD12 ILE 4 1HD1 ILE 4 1.993 2.727 0.482 25 HD13 ILE 4 2HD1 ILE 4 0.705 2.921 1.672 26 HA PRO 5 HA PRO 5 5.220 1.324 -2.216 27 HB2 PRO 5 1HB PRO 5 7.131 3.274 -1.999 28 HB3 PRO 5 2HB PRO 5 6.428 2.767 -3.533 29 HG2 PRO 5 1HG PRO 5 5.712 5.102 -1.792 30 HG3 PRO 5 2HG PRO 5 5.942 5.041 -3.580 31 HD2 PRO 5 1HD PRO 5 3.489 5.053 -2.418 32 HD3 PRO 5 2HD PRO 5 3.832 4.177 -3.921 33 H THR 6 H THR 6 6.487 0.643 -0.497 34 HA THR 6 HA THR 6 6.419 2.193 1.982 35 HB THR 6 HB THR 6 5.601 0.436 3.336 36 HG1 THR 6 1HG THR 6 5.697 -1.619 2.760 37 HG21 THR 6 3HG2 THR 6 3.385 0.105 2.548 38 HG22 THR 6 1HG2 THR 6 3.887 0.249 0.865 39 HG23 THR 6 2HG2 THR 6 3.907 1.665 1.914 40 H THR 7 H THR 7 7.721 0.843 3.723 41 HA THR 7 HA THR 7 10.376 0.797 2.945 42 HB THR 7 HB THR 7 10.627 -0.773 5.031 43 HG1 THR 7 1HG THR 7 8.716 -0.403 6.414 44 HG21 THR 7 3HG2 THR 7 9.503 2.018 5.297 45 HG22 THR 7 1HG2 THR 7 11.189 1.624 4.967 46 HG23 THR 7 2HG2 THR 7 10.460 1.162 6.505 47 H SER 8 H SER 8 7.992 -1.774 2.888 48 HA SER 8 HA SER 8 9.993 -3.741 2.099 49 HB2 SER 8 1HB SER 8 8.425 -5.388 2.556 50 HB3 SER 8 2HB SER 8 7.936 -4.117 3.691 51 HG SER 8 HG SER 8 6.165 -4.973 2.490 52 H GLY 9 H GLY 9 7.574 -1.695 0.712 53 HA2 GLY 9 2HA GLY 9 8.254 -1.508 -1.807 54 HA3 GLY 9 3HA GLY 9 7.649 -3.158 -1.829 55 HA PRO 10 HA PRO 10 4.149 -0.257 -2.807 56 HB2 PRO 10 1HB PRO 10 3.322 -1.601 -5.046 57 HB3 PRO 10 2HB PRO 10 4.568 -0.354 -5.064 58 HG2 PRO 10 1HG PRO 10 4.865 -3.338 -4.972 59 HG3 PRO 10 2HG PRO 10 5.742 -2.135 -5.989 60 HD2 PRO 10 1HD PRO 10 6.827 -3.235 -3.757 61 HD3 PRO 10 2HD PRO 10 7.167 -1.574 -4.267 62 H ILE 11 H ILE 11 2.563 -0.691 -1.401 63 HA ILE 11 HA ILE 11 1.359 -3.382 -1.450 64 HB ILE 11 HB ILE 11 1.385 -1.504 0.912 65 HG12 ILE 11 1HG1 ILE 11 3.082 -3.958 0.392 66 HG13 ILE 11 2HG1 ILE 11 3.663 -2.286 0.377 67 HG21 ILE 11 1HG2 ILE 11 0.562 -3.390 2.165 68 HG22 ILE 11 2HG2 ILE 11 -0.491 -3.113 0.778 69 HG23 ILE 11 3HG2 ILE 11 0.681 -4.429 0.746 70 HD11 ILE 11 3HD1 ILE 11 2.667 -3.852 2.736 71 HD12 ILE 11 1HD1 ILE 11 4.284 -3.206 2.460 72 HD13 ILE 11 2HD1 ILE 11 2.938 -2.109 2.771 73 H CYS 12 H CYS 12 -0.820 -3.549 -1.642 74 HA CYS 12 HA CYS 12 -2.264 -1.082 -2.258 75 HB2 CYS 12 1HB CYS 12 -2.642 -3.978 -2.917 76 HB3 CYS 12 2HB CYS 12 -4.046 -2.910 -2.942 77 H LEU 13 H LEU 13 -2.955 -0.191 -0.382 78 HA LEU 13 HA LEU 13 -3.987 -1.758 1.786 79 HB2 LEU 13 1HB LEU 13 -3.650 1.153 1.203 80 HB3 LEU 13 2HB LEU 13 -4.757 0.658 2.498 81 HG LEU 13 HG LEU 13 -2.428 1.284 3.220 82 HD11 LEU 13 1HD1 LEU 13 -2.980 -1.559 3.951 83 HD12 LEU 13 2HD1 LEU 13 -4.123 -0.292 4.398 84 HD13 LEU 13 3HD1 LEU 13 -2.456 -0.218 4.970 85 HD21 LEU 13 3HD2 LEU 13 -1.606 -1.419 2.226 86 HD22 LEU 13 1HD2 LEU 13 -0.599 -0.075 2.766 87 HD23 LEU 13 2HD2 LEU 13 -1.427 0.013 1.211 88 H ARG 14 H ARG 14 -6.071 -2.143 2.358 89 HA ARG 14 HA ARG 14 -8.098 -1.560 0.338 90 HB2 ARG 14 1HB ARG 14 -8.180 -3.392 2.749 91 HB3 ARG 14 2HB ARG 14 -9.460 -3.232 1.537 92 HG2 ARG 14 1HG ARG 14 -6.675 -4.313 1.112 93 HG3 ARG 14 2HG ARG 14 -8.203 -5.209 1.063 94 HD2 ARG 14 1HD ARG 14 -8.916 -3.801 -0.869 95 HD3 ARG 14 2HD ARG 14 -7.311 -3.059 -0.852 96 HE ARG 14 HE ARG 14 -6.761 -5.704 -1.030 97 HH11 ARG 14 1HH1 ARG 14 -8.819 -3.555 -2.838 98 HH12 ARG 14 2HH1 ARG 14 -8.653 -4.434 -4.321 99 HH21 ARG 14 1HH2 ARG 14 -6.534 -6.869 -2.977 100 HH22 ARG 14 2HH2 ARG 14 -7.354 -6.320 -4.399 101 H ASP 15 H ASP 15 -7.198 0.578 2.011 102 HA ASP 15 HA ASP 15 -9.766 1.392 3.089 103 HB2 ASP 15 1HB ASP 15 -7.880 0.326 4.828 104 HB3 ASP 15 2HB ASP 15 -7.652 2.072 4.981 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -6.438 2.430 2.018 2 HA2 GLY 1 2HA GLY 1 -7.937 4.671 0.813 3 HA3 GLY 1 3HA GLY 1 -6.219 4.712 1.177 4 H HIS 2 H HIS 2 -4.757 3.715 -0.209 5 HA HIS 2 HA HIS 2 -5.776 2.380 -2.587 6 HB2 HIS 2 1HB HIS 2 -3.919 4.747 -2.869 7 HB3 HIS 2 2HB HIS 2 -4.741 3.856 -4.154 8 HD1 HIS 2 1HD HIS 2 -5.236 6.620 -1.744 9 HD2 HIS 2 2HD HIS 2 -7.517 4.425 -4.434 10 HE1 HIS 2 1HE HIS 2 -7.376 7.911 -2.020 11 H CYS 3 H CYS 3 -3.402 2.449 -4.069 12 HA CYS 3 HA CYS 3 -1.707 0.742 -2.393 13 HB2 CYS 3 1HB CYS 3 -1.568 1.027 -5.396 14 HB3 CYS 3 2HB CYS 3 -0.930 -0.281 -4.399 15 H ILE 4 H ILE 4 -0.050 1.761 -1.483 16 HA ILE 4 HA ILE 4 1.490 3.657 -3.128 17 HB ILE 4 HB ILE 4 2.083 4.633 -0.745 18 HG12 ILE 4 1HG1 ILE 4 -0.795 4.037 -0.224 19 HG13 ILE 4 2HG1 ILE 4 0.397 2.781 0.151 20 HG21 ILE 4 1HG2 ILE 4 1.220 6.044 -2.417 21 HG22 ILE 4 2HG2 ILE 4 -0.340 5.224 -2.416 22 HG23 ILE 4 3HG2 ILE 4 0.128 6.231 -1.046 23 HD11 ILE 4 3HD1 ILE 4 1.623 4.496 1.517 24 HD12 ILE 4 1HD1 ILE 4 0.218 5.540 1.316 25 HD13 ILE 4 2HD1 ILE 4 0.054 3.992 2.144 26 HA PRO 5 HA PRO 5 5.113 1.377 -2.162 27 HB2 PRO 5 1HB PRO 5 6.991 3.352 -1.889 28 HB3 PRO 5 2HB PRO 5 6.286 2.888 -3.437 29 HG2 PRO 5 1HG PRO 5 5.542 5.148 -1.609 30 HG3 PRO 5 2HG PRO 5 5.759 5.152 -3.399 31 HD2 PRO 5 1HD PRO 5 3.315 5.080 -2.222 32 HD3 PRO 5 2HD PRO 5 3.663 4.264 -3.754 33 H THR 6 H THR 6 6.470 0.703 -0.489 34 HA THR 6 HA THR 6 6.365 2.149 2.048 35 HB THR 6 HB THR 6 5.584 0.346 3.346 36 HG1 THR 6 1HG THR 6 5.358 -1.749 2.517 37 HG21 THR 6 3HG2 THR 6 3.807 1.496 2.075 38 HG22 THR 6 1HG2 THR 6 3.400 -0.184 2.425 39 HG23 THR 6 2HG2 THR 6 3.944 0.274 0.810 40 H THR 7 H THR 7 7.729 0.796 3.728 41 HA THR 7 HA THR 7 10.373 0.825 2.892 42 HB THR 7 HB THR 7 10.625 -0.822 4.972 43 HG1 THR 7 1HG THR 7 8.865 -0.668 6.348 44 HG21 THR 7 3HG2 THR 7 10.010 1.453 6.334 45 HG22 THR 7 1HG2 THR 7 10.239 2.079 4.702 46 HG23 THR 7 2HG2 THR 7 11.533 1.175 5.489 47 H SER 8 H SER 8 8.036 -1.787 2.859 48 HA SER 8 HA SER 8 10.059 -3.717 2.033 49 HB2 SER 8 1HB SER 8 8.364 -5.397 2.276 50 HB3 SER 8 2HB SER 8 8.235 -4.312 3.671 51 HG SER 8 HG SER 8 6.278 -3.883 3.081 52 H GLY 9 H GLY 9 7.617 -1.684 0.683 53 HA2 GLY 9 2HA GLY 9 8.263 -1.489 -1.844 54 HA3 GLY 9 3HA GLY 9 7.662 -3.141 -1.863 55 HA PRO 10 HA PRO 10 4.144 -0.245 -2.789 56 HB2 PRO 10 1HB PRO 10 3.291 -1.586 -5.019 57 HB3 PRO 10 2HB PRO 10 4.533 -0.338 -5.052 58 HG2 PRO 10 1HG PRO 10 4.836 -3.321 -4.969 59 HG3 PRO 10 2HG PRO 10 5.698 -2.115 -5.995 60 HD2 PRO 10 1HD PRO 10 6.813 -3.216 -3.779 61 HD3 PRO 10 2HD PRO 10 7.144 -1.553 -4.291 62 H ILE 11 H ILE 11 2.580 -0.685 -1.361 63 HA ILE 11 HA ILE 11 1.399 -3.386 -1.374 64 HB ILE 11 HB ILE 11 1.437 -1.446 0.939 65 HG12 ILE 11 1HG1 ILE 11 3.686 -2.282 0.459 66 HG13 ILE 11 2HG1 ILE 11 3.062 -2.980 1.963 67 HG21 ILE 11 1HG2 ILE 11 0.526 -4.312 0.725 68 HG22 ILE 11 2HG2 ILE 11 0.657 -3.405 2.230 69 HG23 ILE 11 3HG2 ILE 11 -0.490 -2.895 0.991 70 HD11 ILE 11 3HD1 ILE 11 3.098 -4.370 -0.706 71 HD12 ILE 11 1HD1 ILE 11 4.234 -4.641 0.615 72 HD13 ILE 11 2HD1 ILE 11 2.531 -5.051 0.819 73 H CYS 12 H CYS 12 -0.778 -3.592 -1.560 74 HA CYS 12 HA CYS 12 -2.257 -1.166 -2.249 75 HB2 CYS 12 1HB CYS 12 -2.568 -4.080 -2.836 76 HB3 CYS 12 2HB CYS 12 -4.012 -3.067 -2.852 77 H LEU 13 H LEU 13 -3.020 -0.214 -0.446 78 HA LEU 13 HA LEU 13 -4.118 -1.795 1.722 79 HB2 LEU 13 1HB LEU 13 -3.635 1.142 1.286 80 HB3 LEU 13 2HB LEU 13 -4.599 0.552 2.653 81 HG LEU 13 HG LEU 13 -2.599 -0.798 3.359 82 HD11 LEU 13 1HD1 LEU 13 -0.413 0.184 2.441 83 HD12 LEU 13 2HD1 LEU 13 -1.390 0.725 1.079 84 HD13 LEU 13 3HD1 LEU 13 -1.276 -0.995 1.453 85 HD21 LEU 13 3HD2 LEU 13 -2.256 2.197 3.222 86 HD22 LEU 13 1HD2 LEU 13 -1.445 1.109 4.350 87 HD23 LEU 13 2HD2 LEU 13 -3.195 1.316 4.429 88 H ARG 14 H ARG 14 -6.207 -2.227 2.034 89 HA ARG 14 HA ARG 14 -8.136 -1.418 0.066 90 HB2 ARG 14 1HB ARG 14 -8.075 -3.264 2.398 91 HB3 ARG 14 2HB ARG 14 -9.656 -2.659 1.883 92 HG2 ARG 14 1HG ARG 14 -9.050 -4.847 0.883 93 HG3 ARG 14 2HG ARG 14 -9.374 -3.577 -0.307 94 HD2 ARG 14 1HD ARG 14 -7.159 -3.393 -0.939 95 HD3 ARG 14 2HD ARG 14 -6.572 -4.007 0.613 96 HE ARG 14 HE ARG 14 -7.897 -6.118 -0.533 97 HH11 ARG 14 1HH1 ARG 14 -5.238 -4.054 -1.417 98 HH12 ARG 14 2HH1 ARG 14 -4.440 -5.267 -2.363 99 HH21 ARG 14 1HH2 ARG 14 -6.857 -7.724 -1.774 100 HH22 ARG 14 2HH2 ARG 14 -5.363 -7.354 -2.565 101 H ASP 15 H ASP 15 -6.909 0.112 2.706 102 HA ASP 15 HA ASP 15 -9.388 1.293 3.648 103 HB2 ASP 15 1HB ASP 15 -7.704 0.834 5.314 104 HB3 ASP 15 2HB ASP 15 -6.500 1.759 4.408 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -6.783 2.363 2.888 2 HA2 GLY 1 2HA GLY 1 -6.912 4.984 1.793 3 HA3 GLY 1 3HA GLY 1 -5.447 4.070 2.119 4 H HIS 2 H HIS 2 -4.387 3.085 0.468 5 HA HIS 2 HA HIS 2 -5.565 2.468 -2.038 6 HB2 HIS 2 1HB HIS 2 -5.003 5.158 -1.764 7 HB3 HIS 2 2HB HIS 2 -3.567 4.539 -2.584 8 HD1 HIS 2 1HD HIS 2 -3.763 4.801 -5.023 9 HD2 HIS 2 2HD HIS 2 -7.430 3.920 -3.277 10 HE1 HIS 2 1HE HIS 2 -5.406 4.700 -6.923 11 H CYS 3 H CYS 3 -3.399 2.587 -3.716 12 HA CYS 3 HA CYS 3 -1.551 0.730 -2.393 13 HB2 CYS 3 1HB CYS 3 -1.949 1.214 -5.355 14 HB3 CYS 3 2HB CYS 3 -1.007 -0.083 -4.616 15 H ILE 4 H ILE 4 0.188 1.733 -1.609 16 HA ILE 4 HA ILE 4 1.662 3.535 -3.403 17 HB ILE 4 HB ILE 4 2.339 4.694 -1.127 18 HG12 ILE 4 1HG1 ILE 4 0.698 2.966 -0.006 19 HG13 ILE 4 2HG1 ILE 4 0.801 4.630 0.593 20 HG21 ILE 4 1HG2 ILE 4 -0.143 5.205 -2.745 21 HG22 ILE 4 2HG2 ILE 4 0.444 6.319 -1.512 22 HG23 ILE 4 3HG2 ILE 4 1.445 5.952 -2.917 23 HD11 ILE 4 3HD1 ILE 4 -1.214 3.987 -1.499 24 HD12 ILE 4 1HD1 ILE 4 -1.520 3.515 0.172 25 HD13 ILE 4 2HD1 ILE 4 -1.252 5.211 -0.229 26 HA PRO 5 HA PRO 5 5.261 1.260 -2.340 27 HB2 PRO 5 1HB PRO 5 7.188 3.204 -2.290 28 HB3 PRO 5 2HB PRO 5 6.428 2.627 -3.772 29 HG2 PRO 5 1HG PRO 5 5.785 5.053 -2.129 30 HG3 PRO 5 2HG PRO 5 5.951 4.897 -3.917 31 HD2 PRO 5 1HD PRO 5 3.541 4.984 -2.673 32 HD3 PRO 5 2HD PRO 5 3.827 4.032 -4.138 33 H THR 6 H THR 6 6.629 0.685 -0.646 34 HA THR 6 HA THR 6 6.644 2.352 1.754 35 HB THR 6 HB THR 6 5.845 0.698 3.225 36 HG1 THR 6 1HG THR 6 6.181 -1.345 2.815 37 HG21 THR 6 3HG2 THR 6 3.620 0.319 2.524 38 HG22 THR 6 1HG2 THR 6 4.079 0.284 0.822 39 HG23 THR 6 2HG2 THR 6 4.122 1.803 1.716 40 H THR 7 H THR 7 8.005 1.088 3.513 41 HA THR 7 HA THR 7 10.627 0.975 2.630 42 HB THR 7 HB THR 7 10.941 -0.479 4.799 43 HG1 THR 7 1HG THR 7 8.442 0.679 5.433 44 HG21 THR 7 3HG2 THR 7 11.729 1.694 4.922 45 HG22 THR 7 1HG2 THR 7 10.465 1.701 6.151 46 HG23 THR 7 2HG2 THR 7 10.153 2.398 4.561 47 H SER 8 H SER 8 8.228 -1.576 2.842 48 HA SER 8 HA SER 8 10.182 -3.603 2.084 49 HB2 SER 8 1HB SER 8 8.093 -5.113 2.201 50 HB3 SER 8 2HB SER 8 8.693 -4.418 3.717 51 HG SER 8 HG SER 8 6.318 -4.263 3.141 52 H GLY 9 H GLY 9 7.736 -1.613 0.680 53 HA2 GLY 9 2HA GLY 9 8.293 -1.600 -1.873 54 HA3 GLY 9 3HA GLY 9 7.666 -3.238 -1.760 55 HA PRO 10 HA PRO 10 4.161 -0.355 -2.764 56 HB2 PRO 10 1HB PRO 10 3.208 -1.835 -4.862 57 HB3 PRO 10 2HB PRO 10 4.468 -0.613 -5.027 58 HG2 PRO 10 1HG PRO 10 4.729 -3.587 -4.745 59 HG3 PRO 10 2HG PRO 10 5.571 -2.472 -5.882 60 HD2 PRO 10 1HD PRO 10 6.747 -3.435 -3.633 61 HD3 PRO 10 2HD PRO 10 7.086 -1.819 -4.272 62 H ILE 11 H ILE 11 2.642 -0.666 -1.256 63 HA ILE 11 HA ILE 11 1.447 -3.349 -1.008 64 HB ILE 11 HB ILE 11 2.624 -2.567 1.030 65 HG12 ILE 11 1HG1 ILE 11 0.622 -2.843 2.588 66 HG13 ILE 11 2HG1 ILE 11 -0.371 -2.922 1.123 67 HG21 ILE 11 1HG2 ILE 11 2.075 -0.137 0.612 68 HG22 ILE 11 2HG2 ILE 11 0.472 -0.479 1.260 69 HG23 ILE 11 3HG2 ILE 11 1.897 -0.691 2.277 70 HD11 ILE 11 3HD1 ILE 11 -0.031 -5.134 1.399 71 HD12 ILE 11 1HD1 ILE 11 1.427 -4.771 0.477 72 HD13 ILE 11 2HD1 ILE 11 1.506 -4.909 2.234 73 H CYS 12 H CYS 12 -0.695 -3.579 -1.291 74 HA CYS 12 HA CYS 12 -2.216 -1.184 -2.021 75 HB2 CYS 12 1HB CYS 12 -2.377 -4.079 -2.706 76 HB3 CYS 12 2HB CYS 12 -3.885 -3.164 -2.690 77 H LEU 13 H LEU 13 -3.858 -0.433 -0.828 78 HA LEU 13 HA LEU 13 -4.729 -2.052 1.475 79 HB2 LEU 13 1HB LEU 13 -4.020 0.805 1.175 80 HB3 LEU 13 2HB LEU 13 -5.438 0.451 2.178 81 HG LEU 13 HG LEU 13 -2.655 -0.626 2.628 82 HD11 LEU 13 1HD1 LEU 13 -3.296 1.880 3.082 83 HD12 LEU 13 2HD1 LEU 13 -2.347 0.960 4.248 84 HD13 LEU 13 3HD1 LEU 13 -4.076 1.193 4.507 85 HD21 LEU 13 3HD2 LEU 13 -4.097 -2.261 3.462 86 HD22 LEU 13 1HD2 LEU 13 -5.277 -1.072 4.016 87 HD23 LEU 13 2HD2 LEU 13 -3.742 -1.253 4.865 88 H ARG 14 H ARG 14 -6.908 -2.162 1.963 89 HA ARG 14 HA ARG 14 -8.692 -1.455 -0.242 90 HB2 ARG 14 1HB ARG 14 -9.260 -3.156 2.195 91 HB3 ARG 14 2HB ARG 14 -10.265 -3.011 0.745 92 HG2 ARG 14 1HG ARG 14 -7.525 -4.265 0.930 93 HG3 ARG 14 2HG ARG 14 -9.071 -5.090 0.671 94 HD2 ARG 14 1HD ARG 14 -9.350 -3.852 -1.461 95 HD3 ARG 14 2HD ARG 14 -7.759 -3.125 -1.203 96 HE ARG 14 HE ARG 14 -8.312 -5.792 -2.117 97 HH11 ARG 14 1HH1 ARG 14 -5.987 -3.725 -0.556 98 HH12 ARG 14 2HH1 ARG 14 -4.627 -4.707 -0.992 99 HH21 ARG 14 1HH2 ARG 14 -6.531 -7.093 -2.696 100 HH22 ARG 14 2HH2 ARG 14 -4.938 -6.622 -2.209 101 H ASP 15 H ASP 15 -7.666 0.515 1.715 102 HA ASP 15 HA ASP 15 -10.252 1.648 2.446 103 HB2 ASP 15 1HB ASP 15 -8.043 0.987 4.377 104 HB3 ASP 15 2HB ASP 15 -9.129 2.347 4.690 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -6.804 2.421 2.880 2 HA2 GLY 1 2HA GLY 1 -7.016 4.987 1.705 3 HA3 GLY 1 3HA GLY 1 -5.519 4.136 2.054 4 H HIS 2 H HIS 2 -4.432 3.117 0.431 5 HA HIS 2 HA HIS 2 -5.580 2.444 -2.073 6 HB2 HIS 2 1HB HIS 2 -5.013 5.152 -1.819 7 HB3 HIS 2 2HB HIS 2 -3.610 4.509 -2.677 8 HD1 HIS 2 1HD HIS 2 -3.948 5.021 -5.072 9 HD2 HIS 2 2HD HIS 2 -7.433 3.643 -3.278 10 HE1 HIS 2 1HE HIS 2 -5.635 4.845 -6.928 11 H CYS 3 H CYS 3 -3.408 2.558 -3.737 12 HA CYS 3 HA CYS 3 -1.539 0.757 -2.366 13 HB2 CYS 3 1HB CYS 3 -1.966 1.168 -5.337 14 HB3 CYS 3 2HB CYS 3 -0.958 -0.071 -4.588 15 H ILE 4 H ILE 4 0.179 1.806 -1.597 16 HA ILE 4 HA ILE 4 1.619 3.609 -3.419 17 HB ILE 4 HB ILE 4 2.304 4.780 -1.152 18 HG12 ILE 4 1HG1 ILE 4 0.700 3.031 -0.010 19 HG13 ILE 4 2HG1 ILE 4 0.786 4.697 0.583 20 HG21 ILE 4 1HG2 ILE 4 0.341 6.359 -1.515 21 HG22 ILE 4 2HG2 ILE 4 1.390 6.054 -2.899 22 HG23 ILE 4 3HG2 ILE 4 -0.173 5.246 -2.783 23 HD11 ILE 4 3HD1 ILE 4 -1.241 4.023 -1.486 24 HD12 ILE 4 1HD1 ILE 4 -1.523 3.548 0.189 25 HD13 ILE 4 2HD1 ILE 4 -1.284 5.247 -0.217 26 HA PRO 5 HA PRO 5 5.264 1.389 -2.393 27 HB2 PRO 5 1HB PRO 5 7.161 3.366 -2.361 28 HB3 PRO 5 2HB PRO 5 6.396 2.773 -3.836 29 HG2 PRO 5 1HG PRO 5 5.734 5.190 -2.187 30 HG3 PRO 5 2HG PRO 5 5.883 5.037 -3.976 31 HD2 PRO 5 1HD PRO 5 3.485 5.088 -2.706 32 HD3 PRO 5 2HD PRO 5 3.769 4.139 -4.176 33 H THR 6 H THR 6 6.588 0.792 -0.694 34 HA THR 6 HA THR 6 6.676 2.481 1.688 35 HB THR 6 HB THR 6 5.849 0.855 3.188 36 HG1 THR 6 1HG THR 6 6.107 -1.194 2.759 37 HG21 THR 6 3HG2 THR 6 4.150 2.051 1.720 38 HG22 THR 6 1HG2 THR 6 3.591 0.591 2.536 39 HG23 THR 6 2HG2 THR 6 4.010 0.538 0.824 40 H THR 7 H THR 7 7.889 0.911 3.465 41 HA THR 7 HA THR 7 10.546 0.772 2.551 42 HB THR 7 HB THR 7 10.872 -0.594 4.735 43 HG1 THR 7 1HG THR 7 8.994 -0.066 6.171 44 HG21 THR 7 3HG2 THR 7 10.714 1.446 6.087 45 HG22 THR 7 1HG2 THR 7 9.751 2.210 4.823 46 HG23 THR 7 2HG2 THR 7 11.432 1.776 4.510 47 H SER 8 H SER 8 8.033 -1.664 2.884 48 HA SER 8 HA SER 8 9.872 -3.788 2.105 49 HB2 SER 8 1HB SER 8 8.118 -5.328 2.633 50 HB3 SER 8 2HB SER 8 8.127 -4.100 3.912 51 HG SER 8 HG SER 8 6.144 -4.748 2.216 52 H GLY 9 H GLY 9 8.176 -1.478 0.527 53 HA2 GLY 9 2HA GLY 9 8.388 -1.590 -1.934 54 HA3 GLY 9 3HA GLY 9 7.756 -3.227 -1.820 55 HA PRO 10 HA PRO 10 4.238 -0.391 -2.842 56 HB2 PRO 10 1HB PRO 10 3.214 -1.981 -4.823 57 HB3 PRO 10 2HB PRO 10 4.482 -0.786 -5.092 58 HG2 PRO 10 1HG PRO 10 4.721 -3.741 -4.642 59 HG3 PRO 10 2HG PRO 10 5.544 -2.705 -5.864 60 HD2 PRO 10 1HD PRO 10 6.769 -3.548 -3.594 61 HD3 PRO 10 2HD PRO 10 7.107 -1.975 -4.335 62 H ILE 11 H ILE 11 2.755 -0.595 -1.281 63 HA ILE 11 HA ILE 11 1.567 -3.250 -0.813 64 HB ILE 11 HB ILE 11 1.720 -0.907 1.087 65 HG12 ILE 11 1HG1 ILE 11 3.135 -3.586 1.113 66 HG13 ILE 11 2HG1 ILE 11 3.887 -2.025 0.742 67 HG21 ILE 11 1HG2 ILE 11 0.618 -3.685 1.477 68 HG22 ILE 11 2HG2 ILE 11 0.814 -2.477 2.746 69 HG23 ILE 11 3HG2 ILE 11 -0.311 -2.187 1.420 70 HD11 ILE 11 3HD1 ILE 11 2.923 -3.062 3.369 71 HD12 ILE 11 1HD1 ILE 11 4.488 -2.371 2.943 72 HD13 ILE 11 2HD1 ILE 11 3.073 -1.327 3.087 73 H CYS 12 H CYS 12 -0.564 -3.524 -1.100 74 HA CYS 12 HA CYS 12 -2.128 -1.186 -1.934 75 HB2 CYS 12 1HB CYS 12 -2.201 -4.095 -2.574 76 HB3 CYS 12 2HB CYS 12 -3.733 -3.221 -2.592 77 H LEU 13 H LEU 13 -3.761 -0.437 -0.740 78 HA LEU 13 HA LEU 13 -4.647 -2.059 1.556 79 HB2 LEU 13 1HB LEU 13 -3.974 0.807 1.248 80 HB3 LEU 13 2HB LEU 13 -5.398 0.437 2.238 81 HG LEU 13 HG LEU 13 -2.604 -0.597 2.721 82 HD11 LEU 13 1HD1 LEU 13 -4.148 1.720 3.752 83 HD12 LEU 13 2HD1 LEU 13 -2.422 1.560 3.431 84 HD13 LEU 13 3HD1 LEU 13 -3.119 0.837 4.880 85 HD21 LEU 13 3HD2 LEU 13 -3.690 -1.240 4.945 86 HD22 LEU 13 1HD2 LEU 13 -4.045 -2.246 3.540 87 HD23 LEU 13 2HD2 LEU 13 -5.228 -1.064 4.099 88 H ARG 14 H ARG 14 -6.830 -2.191 2.023 89 HA ARG 14 HA ARG 14 -8.598 -1.524 -0.210 90 HB2 ARG 14 1HB ARG 14 -9.156 -3.224 2.231 91 HB3 ARG 14 2HB ARG 14 -10.166 -3.087 0.784 92 HG2 ARG 14 1HG ARG 14 -7.413 -4.311 0.957 93 HG3 ARG 14 2HG ARG 14 -8.951 -5.155 0.709 94 HD2 ARG 14 1HD ARG 14 -9.258 -3.938 -1.424 95 HD3 ARG 14 2HD ARG 14 -7.686 -3.169 -1.176 96 HE ARG 14 HE ARG 14 -7.450 -5.994 -1.069 97 HH11 ARG 14 1HH1 ARG 14 -7.862 -3.337 -3.281 98 HH12 ARG 14 2HH1 ARG 14 -7.118 -4.159 -4.612 99 HH21 ARG 14 1HH2 ARG 14 -6.468 -7.087 -2.815 100 HH22 ARG 14 2HH2 ARG 14 -6.328 -6.293 -4.346 101 H ASP 15 H ASP 15 -7.627 0.484 1.723 102 HA ASP 15 HA ASP 15 -10.239 1.563 2.450 103 HB2 ASP 15 1HB ASP 15 -9.445 0.443 4.484 104 HB3 ASP 15 2HB ASP 15 -7.935 1.358 4.401
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