NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8300 | 1m02 | 5494 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H HIS 1 1HT HIS 1 -5.515 6.961 4.100 2 2H HIS 1 2HT HIS 1 -6.301 7.688 2.758 3 3H HIS 1 3HT HIS 1 -4.919 8.431 3.452 4 HA HIS 1 HA HIS 1 -4.438 7.313 1.384 5 1HB HIS 1 2HB HIS 1 -3.209 6.123 3.883 6 2HB HIS 1 1HB HIS 1 -2.485 6.085 2.279 7 HD1 HIS 1 1HD HIS 1 -2.389 8.771 1.263 8 HD2 HIS 1 2HD HIS 1 -2.098 8.084 5.350 9 HE1 HIS 1 1HE HIS 1 -1.288 10.823 2.213 10 HE2 HIS 1 2HE HIS 1 -1.028 10.338 4.671 11 HA PRO 2 HA PRO 2 -6.395 3.518 0.290 12 1HB PRO 2 2HB PRO 2 -3.722 2.681 -0.727 13 2HB PRO 2 1HB PRO 2 -5.285 2.701 -1.552 14 1HG PRO 2 2HG PRO 2 -3.449 4.555 -2.079 15 2HG PRO 2 1HG PRO 2 -5.171 4.976 -1.995 16 1HD PRO 2 2HD PRO 2 -2.995 5.474 -0.012 17 2HD PRO 2 1HD PRO 2 -4.394 6.483 -0.433 18 H LEU 3 H LEU 3 -6.846 1.789 1.496 19 HA LEU 3 HA LEU 3 -4.660 0.452 2.923 20 1HB LEU 3 2HB LEU 3 -6.096 0.186 4.890 21 2HB LEU 3 1HB LEU 3 -5.750 1.866 4.533 22 HG LEU 3 HG LEU 3 -7.986 2.107 3.534 23 1HD1 LEU 3 1HD1 LEU 3 -8.175 -0.793 4.215 24 2HD1 LEU 3 2HD1 LEU 3 -8.655 0.048 2.740 25 3HD1 LEU 3 3HD1 LEU 3 -9.622 0.214 4.205 26 1HD2 LEU 3 1HD2 LEU 3 -9.159 2.266 5.565 27 2HD2 LEU 3 2HD2 LEU 3 -7.461 2.495 5.984 28 3HD2 LEU 3 3HD2 LEU 3 -8.244 0.944 6.290 29 H LYS 4 H LYS 4 -6.591 -0.019 0.511 30 HA LYS 4 HA LYS 4 -7.449 -2.712 1.336 31 1HB LYS 4 2HB LYS 4 -9.314 -1.280 0.676 32 2HB LYS 4 1HB LYS 4 -8.537 -0.952 -0.866 33 1HG LYS 4 2HG LYS 4 -8.741 -3.309 -1.473 34 2HG LYS 4 1HG LYS 4 -9.520 -3.639 0.075 35 1HD LYS 4 2HD LYS 4 -11.340 -2.112 -0.517 36 2HD LYS 4 1HD LYS 4 -10.560 -1.783 -2.065 37 1HE LYS 4 2HE LYS 4 -10.780 -4.141 -2.676 38 2HE LYS 4 1HE LYS 4 -11.558 -4.471 -1.128 39 1HZ LYS 4 1HZ LYS 4 -13.481 -3.488 -1.780 40 2HZ LYS 4 2HZ LYS 4 -12.938 -3.988 -3.301 41 3HZ LYS 4 3HZ LYS 4 -12.721 -2.384 -2.812 42 H GLN 5 H GLN 5 -5.346 -0.956 -0.692 43 HA GLN 5 HA GLN 5 -5.055 -2.998 -2.697 44 1HB GLN 5 2HB GLN 5 -4.696 -0.651 -3.277 45 2HB GLN 5 1HB GLN 5 -3.382 -0.551 -2.113 46 1HG GLN 5 2HG GLN 5 -2.105 -2.177 -3.411 47 2HG GLN 5 1HG GLN 5 -3.422 -2.279 -4.577 48 1HE2 GLN 5 1HE2 GLN 5 -0.494 -0.967 -4.064 49 2HE2 GLN 5 2HE2 GLN 5 -0.605 0.435 -5.065 50 H TYR 6 H TYR 6 -3.638 -2.247 0.353 51 HA TYR 6 HA TYR 6 -2.030 -3.249 1.615 52 1HB TYR 6 2HB TYR 6 -2.519 -5.558 -0.278 53 2HB TYR 6 1HB TYR 6 -1.647 -5.663 1.244 54 HD1 TYR 6 1HD TYR 6 -3.586 -7.558 1.193 55 HD2 TYR 6 2HD TYR 6 -4.203 -3.400 1.860 56 HE1 TYR 6 1HE TYR 6 -5.688 -8.061 2.363 57 HE2 TYR 6 2HE TYR 6 -6.307 -3.894 3.028 58 HH TYR 6 HH TYR 6 -7.245 -5.979 4.327 59 H TRP 7 H TRP 7 -0.364 -1.842 1.003 60 HA TRP 7 HA TRP 7 1.265 -2.419 -1.304 61 1HB TRP 7 2HB TRP 7 2.630 -0.517 -0.534 62 2HB TRP 7 1HB TRP 7 0.921 -0.102 -0.616 63 HD1 TRP 7 HD TRP 7 3.240 -1.505 2.181 64 HE1 TRP 7 1HE TRP 7 2.718 -0.219 4.348 65 HE3 TRP 7 3HE TRP 7 -0.423 1.596 0.420 66 HZ2 TRP 7 2HZ TRP 7 0.982 1.838 5.198 67 HZ3 TRP 7 3HZ TRP 7 -1.463 3.193 1.975 68 HH2 TRP 7 HH TRP 7 -0.775 3.311 4.315 69 H TRP 8 H TRP 8 3.729 -2.445 -0.941 70 HA TRP 8 HA TRP 8 4.421 -4.130 1.365 71 1HB TRP 8 2HB TRP 8 4.067 -5.583 -0.585 72 2HB TRP 8 1HB TRP 8 5.217 -4.635 -1.512 73 HD1 TRP 8 HD TRP 8 6.154 -7.335 -1.680 74 HE1 TRP 8 1HE TRP 8 8.033 -8.403 -0.293 75 HE3 TRP 8 3HE TRP 8 6.144 -4.155 2.352 76 HZ2 TRP 8 2HZ TRP 8 9.323 -7.985 2.169 77 HZ3 TRP 8 3HZ TRP 8 7.727 -4.579 4.175 78 HH2 TRP 8 HH TRP 8 9.282 -6.458 4.089 79 H ARG 9 H ARG 9 6.696 -3.614 -1.198 80 HA ARG 9 HA ARG 9 8.551 -2.354 0.502 81 1HB ARG 9 2HB ARG 9 8.517 -2.504 -2.515 82 2HB ARG 9 1HB ARG 9 9.896 -2.022 -1.540 83 1HG ARG 9 2HG ARG 9 8.561 -4.721 -1.499 84 2HG ARG 9 1HG ARG 9 10.095 -4.329 -2.278 85 1HD ARG 9 2HD ARG 9 11.042 -3.727 -0.103 86 2HD ARG 9 1HD ARG 9 9.509 -4.118 0.674 87 HE ARG 9 HE ARG 9 10.362 -6.358 -0.766 88 1HH1 ARG 9 1HH1 ARG 9 11.308 -4.488 2.024 89 2HH1 ARG 9 2HH1 ARG 9 12.054 -5.830 2.826 90 1HH2 ARG 9 1HH2 ARG 9 11.342 -8.124 0.287 91 2HH2 ARG 9 2HH2 ARG 9 12.074 -7.894 1.840 92 HA PRO 10 HA PRO 10 7.466 1.725 -1.833 93 1HB PRO 10 2HB PRO 10 5.157 1.828 -3.235 94 2HB PRO 10 1HB PRO 10 6.679 1.287 -3.952 95 1HG PRO 10 2HG PRO 10 4.399 -0.340 -2.898 96 2HG PRO 10 1HG PRO 10 5.340 -0.564 -4.384 97 1HD PRO 10 2HD PRO 10 5.787 -2.004 -2.130 98 2HD PRO 10 1HD PRO 10 7.075 -1.594 -3.281 99 H SER 11 H SER 11 7.121 2.022 0.480 100 HA SER 11 HA SER 11 4.293 2.554 1.123 101 1HB SER 11 2HB SER 11 6.491 1.674 3.013 102 2HB SER 11 1HB SER 11 4.843 2.086 3.487 103 HG SER 11 HG SER 11 5.563 -0.252 2.961 104 H ILE 12 H ILE 12 3.851 4.630 1.399 105 HA ILE 12 HA ILE 12 6.053 6.466 2.066 106 HB ILE 12 HB ILE 12 3.405 7.055 0.729 107 1HG1 ILE 12 2HG1 ILE 12 4.964 5.852 -0.727 108 2HG1 ILE 12 1HG1 ILE 12 4.784 7.521 -1.258 109 1HG2 ILE 12 1HG2 ILE 12 5.689 8.845 1.520 110 2HG2 ILE 12 2HG2 ILE 12 3.989 8.982 1.967 111 3HG2 ILE 12 3HG2 ILE 12 4.494 9.300 0.308 112 1HD1 ILE 12 1HD1 ILE 12 7.124 6.163 -0.028 113 2HD1 ILE 12 2HD1 ILE 12 6.911 7.896 0.214 114 3HD1 ILE 12 3HD1 ILE 12 7.045 7.245 -1.419 Start of MODEL 2 1 1H HIS 1 1HT HIS 1 -4.852 6.612 -3.132 2 2H HIS 1 2HT HIS 1 -3.426 5.972 -3.838 3 3H HIS 1 3HT HIS 1 -3.401 7.522 -3.106 4 HA HIS 1 HA HIS 1 -2.443 5.563 -1.854 5 1HB HIS 1 2HB HIS 1 -4.505 7.415 -0.633 6 2HB HIS 1 1HB HIS 1 -3.252 6.563 0.262 7 HD1 HIS 1 1HD HIS 1 -0.712 7.157 -0.941 8 HD2 HIS 1 2HD HIS 1 -3.771 9.969 -1.049 9 HE1 HIS 1 1HE HIS 1 0.421 9.370 -1.325 10 HE2 HIS 1 2HE HIS 1 -1.456 11.042 -1.478 11 HA PRO 2 HA PRO 2 -6.219 2.783 -1.930 12 1HB PRO 2 2HB PRO 2 -4.949 0.588 -2.888 13 2HB PRO 2 1HB PRO 2 -5.642 1.827 -3.941 14 1HG PRO 2 2HG PRO 2 -2.798 1.449 -3.079 15 2HG PRO 2 1HG PRO 2 -3.437 1.835 -4.688 16 1HD PRO 2 2HD PRO 2 -2.387 3.719 -3.053 17 2HD PRO 2 1HD PRO 2 -3.713 4.068 -4.181 18 H LEU 3 H LEU 3 -6.273 2.708 0.316 19 HA LEU 3 HA LEU 3 -4.234 1.434 1.849 20 1HB LEU 3 2HB LEU 3 -5.760 1.724 3.743 21 2HB LEU 3 1HB LEU 3 -5.539 3.202 2.829 22 HG LEU 3 HG LEU 3 -7.720 2.850 1.747 23 1HD1 LEU 3 1HD1 LEU 3 -8.286 0.652 1.689 24 2HD1 LEU 3 2HD1 LEU 3 -9.180 1.128 3.131 25 3HD1 LEU 3 3HD1 LEU 3 -7.620 0.321 3.289 26 1HD2 LEU 3 1HD2 LEU 3 -9.087 3.087 3.923 27 2HD2 LEU 3 2HD2 LEU 3 -7.854 4.293 3.554 28 3HD2 LEU 3 3HD2 LEU 3 -7.518 3.018 4.726 29 H LYS 4 H LYS 4 -6.734 0.220 -0.043 30 HA LYS 4 HA LYS 4 -7.046 -2.206 1.550 31 1HB LYS 4 2HB LYS 4 -9.077 -1.196 0.647 32 2HB LYS 4 1HB LYS 4 -8.429 -1.315 -0.984 33 1HG LYS 4 2HG LYS 4 -8.440 -3.752 -0.813 34 2HG LYS 4 1HG LYS 4 -9.090 -3.632 0.823 35 1HD LYS 4 2HD LYS 4 -11.081 -2.507 -0.053 36 2HD LYS 4 1HD LYS 4 -10.429 -2.626 -1.688 37 1HE LYS 4 2HE LYS 4 -10.455 -5.067 -1.520 38 2HE LYS 4 1HE LYS 4 -11.106 -4.948 0.115 39 1HZ LYS 4 1HZ LYS 4 -12.787 -5.383 -1.645 40 2HZ LYS 4 2HZ LYS 4 -12.471 -3.847 -2.277 41 3HZ LYS 4 3HZ LYS 4 -13.104 -4.003 -0.717 42 H GLN 5 H GLN 5 -5.313 -1.025 -1.149 43 HA GLN 5 HA GLN 5 -4.968 -3.440 -2.577 44 1HB GLN 5 2HB GLN 5 -4.524 -1.262 -3.593 45 2HB GLN 5 1HB GLN 5 -3.205 -0.989 -2.463 46 1HG GLN 5 2HG GLN 5 -1.992 -2.881 -3.414 47 2HG GLN 5 1HG GLN 5 -3.313 -3.157 -4.548 48 1HE2 GLN 5 1HE2 GLN 5 -0.337 -1.882 -4.279 49 2HE2 GLN 5 2HE2 GLN 5 -0.396 -0.695 -5.533 50 H TYR 6 H TYR 6 -3.561 -2.211 0.310 51 HA TYR 6 HA TYR 6 -2.015 -3.036 1.760 52 1HB TYR 6 2HB TYR 6 -2.477 -5.598 0.219 53 2HB TYR 6 1HB TYR 6 -1.648 -5.481 1.765 54 HD1 TYR 6 1HD TYR 6 -3.608 -7.347 1.942 55 HD2 TYR 6 2HD TYR 6 -4.192 -3.130 1.962 56 HE1 TYR 6 1HE TYR 6 -5.747 -7.653 3.113 57 HE2 TYR 6 2HE TYR 6 -6.333 -3.428 3.131 58 HH TYR 6 HH TYR 6 -7.272 -6.407 4.519 59 H TRP 7 H TRP 7 -0.531 -1.582 0.575 60 HA TRP 7 HA TRP 7 1.178 -2.453 -1.466 61 1HB TRP 7 2HB TRP 7 2.625 -0.569 -0.807 62 2HB TRP 7 1HB TRP 7 0.932 -0.092 -0.895 63 HD1 TRP 7 HD TRP 7 3.225 -1.444 1.949 64 HE1 TRP 7 1HE TRP 7 2.777 -0.030 4.052 65 HE3 TRP 7 3HE TRP 7 -0.331 1.708 0.065 66 HZ2 TRP 7 2HZ TRP 7 1.132 2.135 4.812 67 HZ3 TRP 7 3HZ TRP 7 -1.292 3.422 1.546 68 HH2 TRP 7 HH TRP 7 -0.574 3.630 3.870 69 H TRP 8 H TRP 8 3.690 -2.407 -1.016 70 HA TRP 8 HA TRP 8 4.332 -4.041 1.330 71 1HB TRP 8 2HB TRP 8 3.918 -5.591 -0.532 72 2HB TRP 8 1HB TRP 8 5.089 -4.733 -1.517 73 HD1 TRP 8 HD TRP 8 5.946 -7.463 -1.539 74 HE1 TRP 8 1HE TRP 8 7.801 -8.508 -0.104 75 HE3 TRP 8 3HE TRP 8 6.049 -4.070 2.313 76 HZ2 TRP 8 2HZ TRP 8 9.115 -7.996 2.327 77 HZ3 TRP 8 3HZ TRP 8 7.628 -4.442 4.152 78 HH2 TRP 8 HH TRP 8 9.127 -6.367 4.162 79 H ARG 9 H ARG 9 6.520 -3.642 -1.349 80 HA ARG 9 HA ARG 9 8.550 -2.515 0.189 81 1HB ARG 9 2HB ARG 9 8.166 -2.367 -2.806 82 2HB ARG 9 1HB ARG 9 9.663 -2.013 -1.956 83 1HG ARG 9 2HG ARG 9 8.257 -4.675 -2.020 84 2HG ARG 9 1HG ARG 9 9.703 -4.237 -2.932 85 1HD ARG 9 2HD ARG 9 10.912 -3.875 -0.834 86 2HD ARG 9 1HD ARG 9 9.466 -4.312 0.075 87 HE ARG 9 HE ARG 9 10.080 -6.412 -1.667 88 1HH1 ARG 9 1HH1 ARG 9 11.390 -4.852 1.166 89 2HH1 ARG 9 2HH1 ARG 9 12.183 -6.281 1.739 90 1HH2 ARG 9 1HH2 ARG 9 11.121 -8.293 -0.916 91 2HH2 ARG 9 2HH2 ARG 9 12.031 -8.235 0.557 92 HA PRO 10 HA PRO 10 7.291 1.790 -1.512 93 1HB PRO 10 2HB PRO 10 4.951 2.104 -2.785 94 2HB PRO 10 1HB PRO 10 6.396 1.535 -3.630 95 1HG PRO 10 2HG PRO 10 4.073 -0.033 -2.582 96 2HG PRO 10 1HG PRO 10 4.929 -0.198 -4.126 97 1HD PRO 10 2HD PRO 10 5.379 -1.802 -1.953 98 2HD PRO 10 1HD PRO 10 6.591 -1.471 -3.204 99 H SER 11 H SER 11 7.038 1.567 0.907 100 HA SER 11 HA SER 11 4.318 1.697 1.908 101 1HB SER 11 2HB SER 11 6.970 1.934 3.353 102 2HB SER 11 1HB SER 11 5.390 1.844 4.131 103 HG SER 11 HG SER 11 6.830 -0.168 3.648 104 H ILE 12 H ILE 12 3.216 3.531 1.906 105 HA ILE 12 HA ILE 12 4.664 6.049 2.392 106 HB ILE 12 HB ILE 12 2.380 5.642 0.455 107 1HG1 ILE 12 2HG1 ILE 12 4.522 4.835 -0.411 108 2HG1 ILE 12 1HG1 ILE 12 4.027 6.301 -1.254 109 1HG2 ILE 12 1HG2 ILE 12 3.532 8.176 0.109 110 2HG2 ILE 12 2HG2 ILE 12 3.279 7.989 1.844 111 3HG2 ILE 12 3HG2 ILE 12 1.925 7.799 0.729 112 1HD1 ILE 12 1HD1 ILE 12 5.570 7.608 0.102 113 2HD1 ILE 12 2HD1 ILE 12 6.404 6.316 -0.762 114 3HD1 ILE 12 3HD1 ILE 12 6.059 6.145 0.959 Start of MODEL 3 1 1H HIS 1 1HT HIS 1 -5.776 5.704 4.955 2 2H HIS 1 2HT HIS 1 -4.119 5.910 4.558 3 3H HIS 1 3HT HIS 1 -4.651 6.132 6.175 4 HA HIS 1 HA HIS 1 -3.515 4.045 5.845 5 1HB HIS 1 2HB HIS 1 -6.475 3.889 6.465 6 2HB HIS 1 1HB HIS 1 -5.274 2.692 6.939 7 HD1 HIS 1 1HD HIS 1 -3.154 4.036 8.337 8 HD2 HIS 1 2HD HIS 1 -7.035 5.508 8.540 9 HE1 HIS 1 1HE HIS 1 -3.226 5.459 10.408 10 HE2 HIS 1 2HE HIS 1 -5.561 6.402 10.468 11 HA PRO 2 HA PRO 2 -5.045 2.741 1.645 12 1HB PRO 2 2HB PRO 2 -2.584 2.199 0.633 13 2HB PRO 2 1HB PRO 2 -3.309 3.810 0.585 14 1HG PRO 2 2HG PRO 2 -1.287 2.698 2.493 15 2HG PRO 2 1HG PRO 2 -1.329 4.287 1.708 16 1HD PRO 2 2HD PRO 2 -2.120 3.908 4.268 17 2HD PRO 2 1HD PRO 2 -2.858 5.132 3.213 18 H LEU 3 H LEU 3 -5.779 1.002 3.240 19 HA LEU 3 HA LEU 3 -4.014 -1.335 3.156 20 1HB LEU 3 2HB LEU 3 -5.433 -2.270 4.921 21 2HB LEU 3 1HB LEU 3 -4.717 -0.737 5.376 22 HG LEU 3 HG LEU 3 -6.857 0.388 4.919 23 1HD1 LEU 3 1HD1 LEU 3 -8.004 -0.822 3.330 24 2HD1 LEU 3 2HD1 LEU 3 -8.867 -1.252 4.807 25 3HD1 LEU 3 3HD1 LEU 3 -7.684 -2.365 4.121 26 1HD2 LEU 3 1HD2 LEU 3 -6.616 -0.094 7.161 27 2HD2 LEU 3 2HD2 LEU 3 -6.687 -1.836 6.902 28 3HD2 LEU 3 3HD2 LEU 3 -8.154 -0.867 6.783 29 H LYS 4 H LYS 4 -6.098 -0.143 1.125 30 HA LYS 4 HA LYS 4 -7.763 -2.507 0.753 31 1HB LYS 4 2HB LYS 4 -8.842 -0.323 0.563 32 2HB LYS 4 1HB LYS 4 -7.723 0.135 -0.714 33 1HG LYS 4 2HG LYS 4 -8.630 -1.627 -2.143 34 2HG LYS 4 1HG LYS 4 -9.752 -2.088 -0.861 35 1HD LYS 4 2HD LYS 4 -10.767 0.138 -0.954 36 2HD LYS 4 1HD LYS 4 -9.644 0.599 -2.235 37 1HE LYS 4 2HE LYS 4 -10.564 -1.158 -3.669 38 2HE LYS 4 1HE LYS 4 -11.685 -1.617 -2.388 39 1HZ LYS 4 1HZ LYS 4 -11.773 0.644 -4.206 40 2HZ LYS 4 2HZ LYS 4 -12.229 0.973 -2.611 41 3HZ LYS 4 3HZ LYS 4 -13.039 -0.223 -3.491 42 H GLN 5 H GLN 5 -4.861 -1.138 -0.416 43 HA GLN 5 HA GLN 5 -4.916 -2.858 -2.799 44 1HB GLN 5 2HB GLN 5 -4.494 -0.496 -3.261 45 2HB GLN 5 1HB GLN 5 -3.137 -0.503 -2.144 46 1HG GLN 5 2HG GLN 5 -1.963 -2.096 -3.574 47 2HG GLN 5 1HG GLN 5 -3.324 -2.092 -4.695 48 1HE2 GLN 5 1HE2 GLN 5 -0.336 -0.903 -4.220 49 2HE2 GLN 5 2HE2 GLN 5 -0.435 0.554 -5.141 50 H TYR 6 H TYR 6 -3.635 -2.644 0.322 51 HA TYR 6 HA TYR 6 -2.133 -3.898 1.476 52 1HB TYR 6 2HB TYR 6 -2.150 -5.619 -1.013 53 2HB TYR 6 1HB TYR 6 -1.451 -6.078 0.533 54 HD1 TYR 6 1HD TYR 6 -3.159 -8.020 -0.288 55 HD2 TYR 6 2HD TYR 6 -4.288 -4.263 1.366 56 HE1 TYR 6 1HE TYR 6 -5.315 -8.976 0.402 57 HE2 TYR 6 2HE TYR 6 -6.446 -5.211 2.057 58 HH TYR 6 HH TYR 6 -7.110 -8.160 2.484 59 H TRP 7 H TRP 7 -0.587 -2.250 1.497 60 HA TRP 7 HA TRP 7 1.263 -1.777 -0.583 61 1HB TRP 7 2HB TRP 7 2.527 -0.505 1.109 62 2HB TRP 7 1HB TRP 7 0.812 -0.110 1.146 63 HD1 TRP 7 HD TRP 7 3.039 -2.713 3.001 64 HE1 TRP 7 1HE TRP 7 2.371 -2.682 5.486 65 HE3 TRP 7 3HE TRP 7 -0.637 0.836 2.811 66 HZ2 TRP 7 2HZ TRP 7 0.529 -1.333 7.146 67 HZ3 TRP 7 3HZ TRP 7 -1.803 1.439 4.892 68 HH2 TRP 7 HH TRP 7 -1.231 0.375 7.014 69 H TRP 8 H TRP 8 3.758 -1.843 0.257 70 HA TRP 8 HA TRP 8 4.626 -4.115 1.659 71 1HB TRP 8 2HB TRP 8 3.625 -5.330 -0.231 72 2HB TRP 8 1HB TRP 8 4.615 -4.413 -1.352 73 HD1 TRP 8 HD TRP 8 5.159 -7.158 -1.946 74 HE1 TRP 8 1HE TRP 8 7.176 -8.538 -1.159 75 HE3 TRP 8 3HE TRP 8 6.506 -4.410 2.176 76 HZ2 TRP 8 2HZ TRP 8 9.065 -8.495 0.921 77 HZ3 TRP 8 3HZ TRP 8 8.423 -5.168 3.507 78 HH2 TRP 8 HH TRP 8 9.672 -7.171 2.897 79 H ARG 9 H ARG 9 6.147 -3.455 -1.402 80 HA ARG 9 HA ARG 9 8.509 -2.505 -0.119 81 1HB ARG 9 2HB ARG 9 7.787 -2.578 -3.053 82 2HB ARG 9 1HB ARG 9 9.385 -2.234 -2.412 83 1HG ARG 9 2HG ARG 9 7.870 -4.815 -2.082 84 2HG ARG 9 1HG ARG 9 9.216 -4.531 -3.189 85 1HD ARG 9 2HD ARG 9 10.678 -4.057 -1.284 86 2HD ARG 9 1HD ARG 9 9.334 -4.344 -0.181 87 HE ARG 9 HE ARG 9 9.652 -6.610 -1.790 88 1HH1 ARG 9 1HH1 ARG 9 11.354 -4.887 0.724 89 2HH1 ARG 9 2HH1 ARG 9 12.152 -6.301 1.326 90 1HH2 ARG 9 1HH2 ARG 9 10.700 -8.471 -0.998 91 2HH2 ARG 9 2HH2 ARG 9 11.782 -8.335 0.348 92 HA PRO 10 HA PRO 10 7.289 1.713 -2.066 93 1HB PRO 10 2HB PRO 10 4.803 2.067 -3.027 94 2HB PRO 10 1HB PRO 10 6.096 1.371 -4.012 95 1HG PRO 10 2HG PRO 10 3.881 -0.007 -2.544 96 2HG PRO 10 1HG PRO 10 4.506 -0.319 -4.173 97 1HD PRO 10 2HD PRO 10 5.191 -1.802 -1.987 98 2HD PRO 10 1HD PRO 10 6.251 -1.584 -3.394 99 H SER 11 H SER 11 5.247 -0.116 -0.018 100 HA SER 11 HA SER 11 4.133 0.365 1.905 101 1HB SER 11 2HB SER 11 5.689 2.958 1.743 102 2HB SER 11 1HB SER 11 4.815 2.381 3.162 103 HG SER 11 HG SER 11 7.290 1.782 2.387 104 H ILE 12 H ILE 12 2.966 1.035 -0.677 105 HA ILE 12 HA ILE 12 1.010 3.021 0.259 106 HB ILE 12 HB ILE 12 2.133 2.859 -2.543 107 1HG1 ILE 12 2HG1 ILE 12 3.645 3.969 -0.971 108 2HG1 ILE 12 1HG1 ILE 12 2.952 5.137 -2.091 109 1HG2 ILE 12 1HG2 ILE 12 -0.283 4.130 -1.425 110 2HG2 ILE 12 2HG2 ILE 12 0.047 3.558 -3.060 111 3HG2 ILE 12 3HG2 ILE 12 0.675 5.117 -2.528 112 1HD1 ILE 12 1HD1 ILE 12 1.195 5.197 0.012 113 2HD1 ILE 12 2HD1 ILE 12 2.502 6.345 -0.281 114 3HD1 ILE 12 3HD1 ILE 12 2.755 4.976 0.802 Start of MODEL 4 1 1H HIS 1 1HT HIS 1 -7.064 6.776 3.280 2 2H HIS 1 2HT HIS 1 -5.863 6.758 2.055 3 3H HIS 1 3HT HIS 1 -5.586 7.612 3.518 4 HA HIS 1 HA HIS 1 -4.403 5.529 3.418 5 1HB HIS 1 2HB HIS 1 -6.632 5.717 5.459 6 2HB HIS 1 1HB HIS 1 -5.163 4.765 5.646 7 HD1 HIS 1 1HD HIS 1 -2.903 6.483 5.201 8 HD2 HIS 1 2HD HIS 1 -6.408 8.034 6.809 9 HE1 HIS 1 1HE HIS 1 -2.226 8.604 6.370 10 HE2 HIS 1 2HE HIS 1 -4.348 9.479 7.408 11 HA PRO 2 HA PRO 2 -7.478 2.716 1.359 12 1HB PRO 2 2HB PRO 2 -5.769 1.769 -0.518 13 2HB PRO 2 1HB PRO 2 -6.685 3.265 -0.731 14 1HG PRO 2 2HG PRO 2 -3.837 2.892 0.116 15 2HG PRO 2 1HG PRO 2 -4.521 4.065 -1.024 16 1HD PRO 2 2HD PRO 2 -3.896 4.703 1.536 17 2HD PRO 2 1HD PRO 2 -5.231 5.472 0.655 18 H LEU 3 H LEU 3 -7.741 0.988 2.631 19 HA LEU 3 HA LEU 3 -5.415 -0.536 3.502 20 1HB LEU 3 2HB LEU 3 -6.960 -1.641 5.050 21 2HB LEU 3 1HB LEU 3 -6.958 0.101 5.232 22 HG LEU 3 HG LEU 3 -9.071 0.225 3.975 23 1HD1 LEU 3 1HD1 LEU 3 -9.177 -1.581 2.546 24 2HD1 LEU 3 2HD1 LEU 3 -10.308 -2.046 3.816 25 3HD1 LEU 3 3HD1 LEU 3 -8.683 -2.729 3.790 26 1HD2 LEU 3 1HD2 LEU 3 -9.030 -1.578 6.384 27 2HD2 LEU 3 2HD2 LEU 3 -10.493 -0.856 5.715 28 3HD2 LEU 3 3HD2 LEU 3 -9.214 0.176 6.356 29 H LYS 4 H LYS 4 -6.932 -0.595 0.767 30 HA LYS 4 HA LYS 4 -7.274 -3.515 0.666 31 1HB LYS 4 2HB LYS 4 -9.298 -2.282 0.076 32 2HB LYS 4 1HB LYS 4 -8.413 -1.387 -1.151 33 1HG LYS 4 2HG LYS 4 -8.028 -3.456 -2.389 34 2HG LYS 4 1HG LYS 4 -8.916 -4.356 -1.157 35 1HD LYS 4 2HD LYS 4 -10.926 -3.049 -1.654 36 2HD LYS 4 1HD LYS 4 -10.037 -2.149 -2.884 37 1HE LYS 4 2HE LYS 4 -9.665 -4.222 -4.128 38 2HE LYS 4 1HE LYS 4 -10.552 -5.121 -2.898 39 1HZ LYS 4 1HZ LYS 4 -12.228 -4.770 -4.351 40 2HZ LYS 4 2HZ LYS 4 -11.551 -3.360 -4.994 41 3HZ LYS 4 3HZ LYS 4 -12.363 -3.307 -3.512 42 H GLN 5 H GLN 5 -5.364 -0.900 -0.409 43 HA GLN 5 HA GLN 5 -4.422 -1.996 -2.846 44 1HB GLN 5 2HB GLN 5 -4.214 0.386 -2.341 45 2HB GLN 5 1HB GLN 5 -3.141 0.021 -0.997 46 1HG GLN 5 2HG GLN 5 -1.494 -0.887 -2.554 47 2HG GLN 5 1HG GLN 5 -2.571 -0.523 -3.903 48 1HE2 GLN 5 1HE2 GLN 5 0.070 0.521 -2.324 49 2HE2 GLN 5 2HE2 GLN 5 -0.010 2.212 -2.673 50 H TYR 6 H TYR 6 -3.589 -2.477 0.473 51 HA TYR 6 HA TYR 6 -2.104 -3.842 1.529 52 1HB TYR 6 2HB TYR 6 -2.181 -5.311 -1.115 53 2HB TYR 6 1HB TYR 6 -1.528 -5.957 0.383 54 HD1 TYR 6 1HD TYR 6 -3.326 -7.712 -0.640 55 HD2 TYR 6 2HD TYR 6 -4.275 -4.081 1.369 56 HE1 TYR 6 1HE TYR 6 -5.539 -8.612 -0.064 57 HE2 TYR 6 2HE TYR 6 -6.489 -4.972 1.945 58 HH TYR 6 HH TYR 6 -7.918 -7.429 0.501 59 H TRP 7 H TRP 7 -0.762 -1.755 1.128 60 HA TRP 7 HA TRP 7 1.315 -1.731 -0.758 61 1HB TRP 7 2HB TRP 7 2.364 -0.037 0.694 62 2HB TRP 7 1HB TRP 7 0.649 0.278 0.457 63 HD1 TRP 7 HD TRP 7 2.701 -1.704 3.111 64 HE1 TRP 7 1HE TRP 7 1.764 -1.100 5.431 65 HE3 TRP 7 3HE TRP 7 -0.980 1.542 1.681 66 HZ2 TRP 7 2HZ TRP 7 -0.266 0.538 6.511 67 HZ3 TRP 7 3HZ TRP 7 -2.375 2.585 3.419 68 HH2 TRP 7 HH TRP 7 -2.024 2.092 5.784 69 H TRP 8 H TRP 8 3.583 -2.079 -0.459 70 HA TRP 8 HA TRP 8 4.436 -3.704 1.789 71 1HB TRP 8 2HB TRP 8 3.526 -5.349 0.205 72 2HB TRP 8 1HB TRP 8 4.565 -4.717 -1.059 73 HD1 TRP 8 HD TRP 8 5.132 -7.519 -0.949 74 HE1 TRP 8 1HE TRP 8 7.118 -8.646 0.228 75 HE3 TRP 8 3HE TRP 8 6.303 -3.845 2.441 76 HZ2 TRP 8 2HZ TRP 8 8.917 -8.082 2.311 77 HZ3 TRP 8 3HZ TRP 8 8.161 -4.238 3.991 78 HH2 TRP 8 HH TRP 8 9.439 -6.315 3.932 79 H ARG 9 H ARG 9 6.136 -3.826 -1.241 80 HA ARG 9 HA ARG 9 8.506 -2.795 -0.211 81 1HB ARG 9 2HB ARG 9 7.607 -2.882 -3.096 82 2HB ARG 9 1HB ARG 9 9.258 -2.627 -2.554 83 1HG ARG 9 2HG ARG 9 7.608 -5.100 -2.084 84 2HG ARG 9 1HG ARG 9 8.902 -4.922 -3.270 85 1HD ARG 9 2HD ARG 9 10.498 -4.512 -1.461 86 2HD ARG 9 1HD ARG 9 9.204 -4.690 -0.277 87 HE ARG 9 HE ARG 9 9.281 -6.999 -1.854 88 1HH1 ARG 9 1HH1 ARG 9 11.231 -5.352 0.526 89 2HH1 ARG 9 2HH1 ARG 9 11.966 -6.805 1.112 90 1HH2 ARG 9 1HH2 ARG 9 10.248 -8.913 -1.085 91 2HH2 ARG 9 2HH2 ARG 9 11.410 -8.827 0.198 92 HA PRO 10 HA PRO 10 7.373 1.459 -2.056 93 1HB PRO 10 2HB PRO 10 4.963 1.908 -3.120 94 2HB PRO 10 1HB PRO 10 6.224 1.073 -4.037 95 1HG PRO 10 2HG PRO 10 3.857 -0.055 -2.605 96 2HG PRO 10 1HG PRO 10 4.545 -0.517 -4.170 97 1HD PRO 10 2HD PRO 10 5.005 -1.835 -1.777 98 2HD PRO 10 1HD PRO 10 6.043 -1.937 -3.209 99 H SER 11 H SER 11 5.294 3.182 -1.737 100 HA SER 11 HA SER 11 3.777 2.692 0.632 101 1HB SER 11 2HB SER 11 6.134 4.584 0.835 102 2HB SER 11 1HB SER 11 4.876 4.389 2.055 103 HG SER 11 HG SER 11 5.891 2.702 2.758 104 H ILE 12 H ILE 12 1.963 3.529 -0.216 105 HA ILE 12 HA ILE 12 0.459 5.056 -0.983 106 HB ILE 12 HB ILE 12 2.529 7.055 -0.057 107 1HG1 ILE 12 2HG1 ILE 12 1.738 5.594 1.741 108 2HG1 ILE 12 1HG1 ILE 12 1.114 7.228 1.952 109 1HG2 ILE 12 1HG2 ILE 12 -0.350 7.398 -0.868 110 2HG2 ILE 12 2HG2 ILE 12 1.072 8.172 -1.567 111 3HG2 ILE 12 3HG2 ILE 12 0.548 8.599 0.062 112 1HD1 ILE 12 1HD1 ILE 12 -0.685 5.829 2.436 113 2HD1 ILE 12 2HD1 ILE 12 -0.344 4.768 1.068 114 3HD1 ILE 12 3HD1 ILE 12 -0.990 6.385 0.789 Start of MODEL 5 1 1H HIS 1 1HT HIS 1 -6.702 5.364 6.012 2 2H HIS 1 2HT HIS 1 -5.632 5.828 7.270 3 3H HIS 1 3HT HIS 1 -6.719 4.520 7.504 4 HA HIS 1 HA HIS 1 -4.392 4.652 5.714 5 1HB HIS 1 2HB HIS 1 -5.118 2.905 8.078 6 2HB HIS 1 1HB HIS 1 -3.655 2.749 7.111 7 HD1 HIS 1 1HD HIS 1 -2.346 5.306 7.025 8 HD2 HIS 1 2HD HIS 1 -4.579 4.226 10.359 9 HE1 HIS 1 1HE HIS 1 -1.506 6.760 8.896 10 HE2 HIS 1 2HE HIS 1 -2.800 6.015 10.925 11 HA PRO 2 HA PRO 2 -7.386 2.051 3.404 12 1HB PRO 2 2HB PRO 2 -6.137 2.362 1.004 13 2HB PRO 2 1HB PRO 2 -7.304 3.522 1.645 14 1HG PRO 2 2HG PRO 2 -4.313 3.623 1.688 15 2HG PRO 2 1HG PRO 2 -5.472 4.920 1.340 16 1HD PRO 2 2HD PRO 2 -4.257 4.677 3.740 17 2HD PRO 2 1HD PRO 2 -5.911 5.300 3.574 18 H LEU 3 H LEU 3 -7.037 -0.034 3.868 19 HA LEU 3 HA LEU 3 -4.416 -1.197 3.266 20 1HB LEU 3 2HB LEU 3 -5.075 -3.034 4.751 21 2HB LEU 3 1HB LEU 3 -5.096 -1.478 5.553 22 HG LEU 3 HG LEU 3 -7.546 -1.411 5.345 23 1HD1 LEU 3 1HD1 LEU 3 -8.614 -3.703 4.833 24 2HD1 LEU 3 2HD1 LEU 3 -7.117 -4.023 3.958 25 3HD1 LEU 3 3HD1 LEU 3 -8.138 -2.662 3.493 26 1HD2 LEU 3 1HD2 LEU 3 -6.492 -2.296 7.363 27 2HD2 LEU 3 2HD2 LEU 3 -6.499 -3.912 6.658 28 3HD2 LEU 3 3HD2 LEU 3 -8.023 -3.104 7.025 29 H LYS 4 H LYS 4 -6.872 -0.693 1.452 30 HA LYS 4 HA LYS 4 -7.515 -3.391 0.608 31 1HB LYS 4 2HB LYS 4 -9.279 -1.701 0.605 32 2HB LYS 4 1HB LYS 4 -8.350 -0.713 -0.513 33 1HG LYS 4 2HG LYS 4 -8.541 -2.453 -2.216 34 2HG LYS 4 1HG LYS 4 -9.474 -3.446 -1.093 35 1HD LYS 4 2HD LYS 4 -11.197 -1.708 -0.994 36 2HD LYS 4 1HD LYS 4 -10.262 -0.717 -2.114 37 1HE LYS 4 2HE LYS 4 -10.468 -2.456 -3.822 38 2HE LYS 4 1HE LYS 4 -11.401 -3.448 -2.701 39 1HZ LYS 4 1HZ LYS 4 -13.117 -2.452 -3.734 40 2HZ LYS 4 2HZ LYS 4 -12.209 -1.112 -4.225 41 3HZ LYS 4 3HZ LYS 4 -12.805 -1.194 -2.645 42 H GLN 5 H GLN 5 -5.229 -0.971 -0.147 43 HA GLN 5 HA GLN 5 -4.751 -1.885 -2.848 44 1HB GLN 5 2HB GLN 5 -4.466 0.483 -2.313 45 2HB GLN 5 1HB GLN 5 -3.233 0.080 -1.125 46 1HG GLN 5 2HG GLN 5 -1.804 -0.795 -2.902 47 2HG GLN 5 1HG GLN 5 -3.041 -0.392 -4.093 48 1HE2 GLN 5 1HE2 GLN 5 -0.212 0.600 -2.844 49 2HE2 GLN 5 2HE2 GLN 5 -0.324 2.299 -3.136 50 H TYR 6 H TYR 6 -3.636 -2.623 0.313 51 HA TYR 6 HA TYR 6 -2.104 -4.099 1.116 52 1HB TYR 6 2HB TYR 6 -2.165 -5.152 -1.721 53 2HB TYR 6 1HB TYR 6 -1.454 -5.986 -0.344 54 HD1 TYR 6 1HD TYR 6 -3.190 -7.651 -1.597 55 HD2 TYR 6 2HD TYR 6 -4.263 -4.412 0.947 56 HE1 TYR 6 1HE TYR 6 -5.349 -8.733 -1.136 57 HE2 TYR 6 2HE TYR 6 -6.423 -5.484 1.411 58 HH TYR 6 HH TYR 6 -7.095 -8.721 0.537 59 H TRP 7 H TRP 7 -0.582 -2.419 1.465 60 HA TRP 7 HA TRP 7 1.375 -1.818 -0.568 61 1HB TRP 7 2HB TRP 7 2.392 -0.377 1.154 62 2HB TRP 7 1HB TRP 7 0.669 -0.062 0.974 63 HD1 TRP 7 HD TRP 7 2.768 -2.430 3.248 64 HE1 TRP 7 1HE TRP 7 1.823 -2.254 5.637 65 HE3 TRP 7 3HE TRP 7 -0.975 0.943 2.394 66 HZ2 TRP 7 2HZ TRP 7 -0.237 -0.867 6.981 67 HZ3 TRP 7 3HZ TRP 7 -2.388 1.643 4.284 68 HH2 TRP 7 HH TRP 7 -2.025 0.756 6.529 69 H TRP 8 H TRP 8 3.765 -1.808 0.260 70 HA TRP 8 HA TRP 8 4.669 -3.772 2.044 71 1HB TRP 8 2HB TRP 8 3.684 -5.334 0.420 72 2HB TRP 8 1HB TRP 8 4.653 -4.627 -0.859 73 HD1 TRP 8 HD TRP 8 5.239 -7.425 -0.937 74 HE1 TRP 8 1HE TRP 8 7.286 -8.602 0.074 75 HE3 TRP 8 3HE TRP 8 6.559 -3.942 2.596 76 HZ2 TRP 8 2HZ TRP 8 9.184 -8.144 2.095 77 HZ3 TRP 8 3HZ TRP 8 8.494 -4.409 4.028 78 HH2 TRP 8 HH TRP 8 9.777 -6.470 3.788 79 H ARG 9 H ARG 9 6.144 -3.648 -1.110 80 HA ARG 9 HA ARG 9 8.542 -2.546 -0.078 81 1HB ARG 9 2HB ARG 9 7.671 -2.930 -2.946 82 2HB ARG 9 1HB ARG 9 9.306 -2.550 -2.425 83 1HG ARG 9 2HG ARG 9 7.769 -5.048 -1.740 84 2HG ARG 9 1HG ARG 9 9.065 -4.914 -2.931 85 1HD ARG 9 2HD ARG 9 10.624 -4.268 -1.159 86 2HD ARG 9 1HD ARG 9 9.329 -4.401 0.029 87 HE ARG 9 HE ARG 9 9.530 -6.836 -1.331 88 1HH1 ARG 9 1HH1 ARG 9 11.377 -4.892 0.902 89 2HH1 ARG 9 2HH1 ARG 9 12.175 -6.250 1.619 90 1HH2 ARG 9 1HH2 ARG 9 10.579 -8.624 -0.390 91 2HH2 ARG 9 2HH2 ARG 9 11.723 -8.370 0.885 92 HA PRO 10 HA PRO 10 7.264 1.431 -2.477 93 1HB PRO 10 2HB PRO 10 4.683 1.728 -3.213 94 2HB PRO 10 1HB PRO 10 5.879 0.935 -4.245 95 1HG PRO 10 2HG PRO 10 3.823 -0.285 -2.444 96 2HG PRO 10 1HG PRO 10 4.290 -0.755 -4.089 97 1HD PRO 10 2HD PRO 10 5.185 -2.043 -1.874 98 2HD PRO 10 1HD PRO 10 6.134 -1.920 -3.367 99 H SER 11 H SER 11 5.107 -0.060 -0.210 100 HA SER 11 HA SER 11 3.971 0.705 1.617 101 1HB SER 11 2HB SER 11 6.269 2.677 1.642 102 2HB SER 11 1HB SER 11 5.193 2.350 2.999 103 HG SER 11 HG SER 11 6.707 0.931 3.434 104 H ILE 12 H ILE 12 3.251 1.861 -0.991 105 HA ILE 12 HA ILE 12 2.456 4.587 -0.321 106 HB ILE 12 HB ILE 12 2.088 3.015 -2.877 107 1HG1 ILE 12 2HG1 ILE 12 4.433 3.537 -2.405 108 2HG1 ILE 12 1HG1 ILE 12 3.846 4.497 -3.760 109 1HG2 ILE 12 1HG2 ILE 12 0.404 4.552 -3.064 110 2HG2 ILE 12 2HG2 ILE 12 1.750 5.500 -3.696 111 3HG2 ILE 12 3HG2 ILE 12 1.214 5.730 -2.032 112 1HD1 ILE 12 1HD1 ILE 12 4.805 6.195 -2.674 113 2HD1 ILE 12 2HD1 ILE 12 4.817 5.335 -1.134 114 3HD1 ILE 12 3HD1 ILE 12 3.353 6.160 -1.673 Start of MODEL 6 1 1H HIS 1 1HT HIS 1 -4.022 8.267 3.308 2 2H HIS 1 2HT HIS 1 -5.436 7.676 4.079 3 3H HIS 1 3HT HIS 1 -5.184 7.387 2.407 4 HA HIS 1 HA HIS 1 -3.135 6.174 3.050 5 1HB HIS 1 2HB HIS 1 -4.506 6.366 5.742 6 2HB HIS 1 1HB HIS 1 -3.112 5.353 5.383 7 HD1 HIS 1 1HD HIS 1 -1.067 7.003 4.221 8 HD2 HIS 1 2HD HIS 1 -3.716 8.619 6.983 9 HE1 HIS 1 1HE HIS 1 0.075 9.050 5.128 10 HE2 HIS 1 2HE HIS 1 -1.512 9.964 6.859 11 HA PRO 2 HA PRO 2 -6.703 3.483 1.951 12 1HB PRO 2 2HB PRO 2 -5.377 2.148 -0.012 13 2HB PRO 2 1HB PRO 2 -6.186 3.696 -0.276 14 1HG PRO 2 2HG PRO 2 -3.286 3.134 0.207 15 2HG PRO 2 1HG PRO 2 -4.031 4.244 -0.958 16 1HD PRO 2 2HD PRO 2 -2.979 5.097 1.380 17 2HD PRO 2 1HD PRO 2 -4.388 5.876 0.634 18 H LEU 3 H LEU 3 -6.949 1.161 2.059 19 HA LEU 3 HA LEU 3 -4.709 -0.304 3.221 20 1HB LEU 3 2HB LEU 3 -6.104 -1.172 5.040 21 2HB LEU 3 1HB LEU 3 -5.867 0.560 5.140 22 HG LEU 3 HG LEU 3 -8.125 0.913 4.229 23 1HD1 LEU 3 1HD1 LEU 3 -8.654 -0.917 2.915 24 2HD1 LEU 3 2HD1 LEU 3 -9.643 -1.170 4.352 25 3HD1 LEU 3 3HD1 LEU 3 -8.144 -2.074 4.144 26 1HD2 LEU 3 1HD2 LEU 3 -9.283 -0.353 6.264 27 2HD2 LEU 3 2HD2 LEU 3 -8.271 1.074 6.484 28 3HD2 LEU 3 3HD2 LEU 3 -7.600 -0.533 6.755 29 H LYS 4 H LYS 4 -6.543 -0.269 0.730 30 HA LYS 4 HA LYS 4 -7.345 -3.096 0.840 31 1HB LYS 4 2HB LYS 4 -9.187 -1.569 0.349 32 2HB LYS 4 1HB LYS 4 -8.288 -0.897 -1.005 33 1HG LYS 4 2HG LYS 4 -8.370 -3.060 -2.136 34 2HG LYS 4 1HG LYS 4 -9.270 -3.736 -0.777 35 1HD LYS 4 2HD LYS 4 -11.077 -2.134 -1.180 36 2HD LYS 4 1HD LYS 4 -10.175 -1.458 -2.538 37 1HE LYS 4 2HE LYS 4 -10.270 -3.623 -3.674 38 2HE LYS 4 1HE LYS 4 -11.168 -4.297 -2.316 39 1HZ LYS 4 1HZ LYS 4 -12.070 -2.547 -4.450 40 2HZ LYS 4 2HZ LYS 4 -12.682 -2.197 -2.913 41 3HZ LYS 4 3HZ LYS 4 -12.918 -3.730 -3.586 42 H GLN 5 H GLN 5 -5.154 -0.891 -0.571 43 HA GLN 5 HA GLN 5 -4.618 -2.417 -2.943 44 1HB GLN 5 2HB GLN 5 -4.260 0.000 -2.918 45 2HB GLN 5 1HB GLN 5 -3.061 -0.177 -1.644 46 1HG GLN 5 2HG GLN 5 -1.634 -1.452 -3.161 47 2HG GLN 5 1HG GLN 5 -2.838 -1.277 -4.438 48 1HE2 GLN 5 1HE2 GLN 5 0.003 -0.123 -3.358 49 2HE2 GLN 5 2HE2 GLN 5 -0.047 1.476 -4.010 50 H TYR 6 H TYR 6 -3.622 -2.556 0.327 51 HA TYR 6 HA TYR 6 -2.174 -3.899 1.453 52 1HB TYR 6 2HB TYR 6 -2.111 -5.428 -1.158 53 2HB TYR 6 1HB TYR 6 -1.487 -6.018 0.377 54 HD1 TYR 6 1HD TYR 6 -3.190 -7.856 -0.660 55 HD2 TYR 6 2HD TYR 6 -4.328 -4.213 1.224 56 HE1 TYR 6 1HE TYR 6 -5.390 -8.819 -0.136 57 HE2 TYR 6 2HE TYR 6 -6.530 -5.167 1.749 58 HH TYR 6 HH TYR 6 -7.630 -8.115 0.391 59 H TRP 7 H TRP 7 -0.697 -2.095 1.491 60 HA TRP 7 HA TRP 7 1.287 -1.638 -0.436 61 1HB TRP 7 2HB TRP 7 2.459 -0.390 1.337 62 2HB TRP 7 1HB TRP 7 0.745 0.008 1.282 63 HD1 TRP 7 HD TRP 7 2.857 -2.622 3.232 64 HE1 TRP 7 1HE TRP 7 2.054 -2.612 5.676 65 HE3 TRP 7 3HE TRP 7 -0.785 0.947 2.873 66 HZ2 TRP 7 2HZ TRP 7 0.130 -1.267 7.246 67 HZ3 TRP 7 3HZ TRP 7 -2.061 1.538 4.892 68 HH2 TRP 7 HH TRP 7 -1.612 0.451 7.033 69 H TRP 8 H TRP 8 3.717 -1.790 0.262 70 HA TRP 8 HA TRP 8 4.624 -3.938 1.816 71 1HB TRP 8 2HB TRP 8 3.493 -5.310 0.119 72 2HB TRP 8 1HB TRP 8 4.424 -4.528 -1.145 73 HD1 TRP 8 HD TRP 8 4.884 -7.329 -1.498 74 HE1 TRP 8 1HE TRP 8 6.928 -8.669 -0.708 75 HE3 TRP 8 3HE TRP 8 6.533 -4.228 2.247 76 HZ2 TRP 8 2HZ TRP 8 8.945 -8.467 1.237 77 HZ3 TRP 8 3HZ TRP 8 8.518 -4.895 3.523 78 HH2 TRP 8 HH TRP 8 9.697 -6.973 3.034 79 H ARG 9 H ARG 9 5.945 -3.593 -1.389 80 HA ARG 9 HA ARG 9 8.446 -2.716 -0.417 81 1HB ARG 9 2HB ARG 9 7.368 -2.698 -3.240 82 2HB ARG 9 1HB ARG 9 9.053 -2.465 -2.796 83 1HG ARG 9 2HG ARG 9 7.427 -4.952 -2.307 84 2HG ARG 9 1HG ARG 9 8.645 -4.733 -3.565 85 1HD ARG 9 2HD ARG 9 10.353 -4.387 -1.847 86 2HD ARG 9 1HD ARG 9 9.134 -4.603 -0.591 87 HE ARG 9 HE ARG 9 9.106 -6.859 -2.245 88 1HH1 ARG 9 1HH1 ARG 9 11.210 -5.291 0.057 89 2HH1 ARG 9 2HH1 ARG 9 11.976 -6.764 0.549 90 1HH2 ARG 9 1HH2 ARG 9 10.112 -8.798 -1.599 91 2HH2 ARG 9 2HH2 ARG 9 11.354 -8.755 -0.391 92 HA PRO 10 HA PRO 10 7.254 1.587 -2.233 93 1HB PRO 10 2HB PRO 10 4.648 2.099 -2.732 94 2HB PRO 10 1HB PRO 10 5.726 1.389 -3.940 95 1HG PRO 10 2HG PRO 10 3.735 0.044 -2.154 96 2HG PRO 10 1HG PRO 10 4.058 -0.230 -3.876 97 1HD PRO 10 2HD PRO 10 5.032 -1.838 -1.923 98 2HD PRO 10 1HD PRO 10 5.889 -1.554 -3.449 99 H SER 11 H SER 11 5.094 -0.041 -0.052 100 HA SER 11 HA SER 11 4.112 0.553 1.921 101 1HB SER 11 2HB SER 11 6.592 2.281 2.096 102 2HB SER 11 1HB SER 11 5.545 1.862 3.452 103 HG SER 11 HG SER 11 6.171 -0.244 3.285 104 H ILE 12 H ILE 12 2.241 1.587 1.366 105 HA ILE 12 HA ILE 12 2.084 4.225 0.370 106 HB ILE 12 HB ILE 12 -0.027 2.593 1.791 107 1HG1 ILE 12 2HG1 ILE 12 0.813 1.511 -0.237 108 2HG1 ILE 12 1HG1 ILE 12 -0.830 2.093 -0.483 109 1HG2 ILE 12 1HG2 ILE 12 -0.054 5.286 0.584 110 2HG2 ILE 12 2HG2 ILE 12 -1.057 4.603 1.864 111 3HG2 ILE 12 3HG2 ILE 12 -1.412 4.238 0.175 112 1HD1 ILE 12 1HD1 ILE 12 1.533 2.679 -1.965 113 2HD1 ILE 12 2HD1 ILE 12 0.880 4.170 -1.286 114 3HD1 ILE 12 3HD1 ILE 12 -0.136 3.142 -2.297 Start of MODEL 7 1 1H HIS 1 1HT HIS 1 -6.731 7.488 -1.007 2 2H HIS 1 2HT HIS 1 -7.491 5.971 -0.750 3 3H HIS 1 3HT HIS 1 -6.677 6.287 -2.228 4 HA HIS 1 HA HIS 1 -4.603 6.386 -1.139 5 1HB HIS 1 2HB HIS 1 -6.233 5.883 1.364 6 2HB HIS 1 1HB HIS 1 -4.475 5.924 1.289 7 HD1 HIS 1 1HD HIS 1 -3.675 8.395 0.060 8 HD2 HIS 1 2HD HIS 1 -7.172 8.224 2.299 9 HE1 HIS 1 1HE HIS 1 -4.159 10.769 0.733 10 HE2 HIS 1 2HE HIS 1 -6.223 10.627 2.171 11 HA PRO 2 HA PRO 2 -4.647 2.001 -1.764 12 1HB PRO 2 2HB PRO 2 -2.055 1.439 -1.411 13 2HB PRO 2 1HB PRO 2 -2.605 2.420 -2.776 14 1HG PRO 2 2HG PRO 2 -1.371 3.290 -0.193 15 2HG PRO 2 1HG PRO 2 -1.064 3.883 -1.836 16 1HD PRO 2 2HD PRO 2 -2.703 5.137 -0.014 17 2HD PRO 2 1HD PRO 2 -2.842 5.318 -1.773 18 H LEU 3 H LEU 3 -5.751 2.470 0.679 19 HA LEU 3 HA LEU 3 -4.209 1.077 2.698 20 1HB LEU 3 2HB LEU 3 -6.083 1.585 4.192 21 2HB LEU 3 1HB LEU 3 -5.450 3.015 3.402 22 HG LEU 3 HG LEU 3 -7.343 2.974 1.830 23 1HD1 LEU 3 1HD1 LEU 3 -8.173 0.875 1.573 24 2HD1 LEU 3 2HD1 LEU 3 -9.311 1.481 2.775 25 3HD1 LEU 3 3HD1 LEU 3 -7.963 0.461 3.275 26 1HD2 LEU 3 1HD2 LEU 3 -7.358 4.194 4.047 27 2HD2 LEU 3 2HD2 LEU 3 -8.366 2.879 4.653 28 3HD2 LEU 3 3HD2 LEU 3 -8.932 3.879 3.315 29 H LYS 4 H LYS 4 -6.321 0.224 0.232 30 HA LYS 4 HA LYS 4 -7.079 -2.260 1.613 31 1HB LYS 4 2HB LYS 4 -9.000 -0.934 0.895 32 2HB LYS 4 1HB LYS 4 -8.384 -0.906 -0.751 33 1HG LYS 4 2HG LYS 4 -8.654 -3.329 -0.897 34 2HG LYS 4 1HG LYS 4 -9.271 -3.357 0.757 35 1HD LYS 4 2HD LYS 4 -11.138 -1.925 0.084 36 2HD LYS 4 1HD LYS 4 -10.521 -1.896 -1.569 37 1HE LYS 4 2HE LYS 4 -10.810 -4.321 -1.716 38 2HE LYS 4 1HE LYS 4 -11.426 -4.349 -0.065 39 1HZ LYS 4 1HZ LYS 4 -12.987 -4.188 -2.204 40 2HZ LYS 4 2HZ LYS 4 -12.771 -2.539 -1.897 41 3HZ LYS 4 3HZ LYS 4 -13.415 -3.544 -0.699 42 H GLN 5 H GLN 5 -5.247 -0.922 -0.940 43 HA GLN 5 HA GLN 5 -5.149 -3.226 -2.617 44 1HB GLN 5 2HB GLN 5 -4.676 -0.995 -3.496 45 2HB GLN 5 1HB GLN 5 -3.286 -0.854 -2.429 46 1HG GLN 5 2HG GLN 5 -2.204 -2.709 -3.589 47 2HG GLN 5 1HG GLN 5 -3.598 -2.851 -4.659 48 1HE2 GLN 5 1HE2 GLN 5 -0.564 -1.701 -4.469 49 2HE2 GLN 5 2HE2 GLN 5 -0.647 -0.421 -5.626 50 H TYR 6 H TYR 6 -3.587 -2.318 0.295 51 HA TYR 6 HA TYR 6 -2.032 -3.334 1.605 52 1HB TYR 6 2HB TYR 6 -2.522 -5.682 -0.240 53 2HB TYR 6 1HB TYR 6 -1.662 -5.760 1.291 54 HD1 TYR 6 1HD TYR 6 -3.615 -7.640 1.271 55 HD2 TYR 6 2HD TYR 6 -4.206 -3.461 1.832 56 HE1 TYR 6 1HE TYR 6 -5.731 -8.098 2.435 57 HE2 TYR 6 2HE TYR 6 -6.322 -3.911 2.994 58 HH TYR 6 HH TYR 6 -7.208 -6.983 4.082 59 H TRP 7 H TRP 7 -0.438 -1.856 0.834 60 HA TRP 7 HA TRP 7 1.197 -2.404 -1.419 61 1HB TRP 7 2HB TRP 7 2.662 -0.637 -0.520 62 2HB TRP 7 1HB TRP 7 0.972 -0.141 -0.527 63 HD1 TRP 7 HD TRP 7 3.279 -1.884 2.086 64 HE1 TRP 7 1HE TRP 7 2.857 -0.769 4.366 65 HE3 TRP 7 3HE TRP 7 -0.273 1.516 0.682 66 HZ2 TRP 7 2HZ TRP 7 1.234 1.281 5.430 67 HZ3 TRP 7 3HZ TRP 7 -1.210 3.017 2.394 68 HH2 TRP 7 HH TRP 7 -0.471 2.900 4.718 69 H TRP 8 H TRP 8 3.764 -2.278 -0.791 70 HA TRP 8 HA TRP 8 4.350 -4.325 1.212 71 1HB TRP 8 2HB TRP 8 4.038 -5.521 -0.917 72 2HB TRP 8 1HB TRP 8 5.232 -4.485 -1.678 73 HD1 TRP 8 HD TRP 8 6.146 -7.152 -2.154 74 HE1 TRP 8 1HE TRP 8 7.953 -8.424 -0.844 75 HE3 TRP 8 3HE TRP 8 6.011 -4.515 2.248 76 HZ2 TRP 8 2HZ TRP 8 9.145 -8.347 1.700 77 HZ3 TRP 8 3HZ TRP 8 7.511 -5.198 4.063 78 HH2 TRP 8 HH TRP 8 9.042 -7.078 3.798 79 H ARG 9 H ARG 9 6.573 -3.350 -1.295 80 HA ARG 9 HA ARG 9 8.381 -2.269 0.654 81 1HB ARG 9 2HB ARG 9 8.596 -2.387 -2.358 82 2HB ARG 9 1HB ARG 9 9.889 -1.909 -1.269 83 1HG ARG 9 2HG ARG 9 8.570 -4.614 -1.361 84 2HG ARG 9 1HG ARG 9 10.157 -4.207 -2.016 85 1HD ARG 9 2HD ARG 9 10.928 -3.618 0.233 86 2HD ARG 9 1HD ARG 9 9.343 -4.029 0.884 87 HE ARG 9 HE ARG 9 10.326 -6.247 -0.506 88 1HH1 ARG 9 1HH1 ARG 9 11.033 -4.396 2.367 89 2HH1 ARG 9 2HH1 ARG 9 11.730 -5.739 3.210 90 1HH2 ARG 9 1HH2 ARG 9 11.240 -8.013 0.602 91 2HH2 ARG 9 2HH2 ARG 9 11.848 -7.792 2.210 92 HA PRO 10 HA PRO 10 7.377 1.841 -1.552 93 1HB PRO 10 2HB PRO 10 5.432 1.988 -3.379 94 2HB PRO 10 1HB PRO 10 7.032 1.367 -3.795 95 1HG PRO 10 2HG PRO 10 4.502 -0.121 -3.257 96 2HG PRO 10 1HG PRO 10 5.760 -0.443 -4.463 97 1HD PRO 10 2HD PRO 10 5.508 -1.735 -2.017 98 2HD PRO 10 1HD PRO 10 6.981 -1.686 -3.003 99 H SER 11 H SER 11 5.109 3.267 -1.997 100 HA SER 11 HA SER 11 3.323 4.235 -0.978 101 1HB SER 11 2HB SER 11 2.801 1.424 0.021 102 2HB SER 11 1HB SER 11 1.656 2.761 0.098 103 HG SER 11 HG SER 11 1.914 2.854 -2.258 104 H ILE 12 H ILE 12 4.621 5.512 0.369 105 HA ILE 12 HA ILE 12 5.289 6.398 2.356 106 HB ILE 12 HB ILE 12 3.450 4.306 3.534 107 1HG1 ILE 12 2HG1 ILE 12 2.297 5.856 2.029 108 2HG1 ILE 12 1HG1 ILE 12 1.839 6.162 3.702 109 1HG2 ILE 12 1HG2 ILE 12 3.467 6.288 5.347 110 2HG2 ILE 12 2HG2 ILE 12 5.119 6.417 4.746 111 3HG2 ILE 12 3HG2 ILE 12 4.544 4.893 5.423 112 1HD1 ILE 12 1HD1 ILE 12 2.369 8.285 3.411 113 2HD1 ILE 12 2HD1 ILE 12 2.956 7.947 1.783 114 3HD1 ILE 12 3HD1 ILE 12 4.049 7.811 3.160 Start of MODEL 8 1 1H HIS 1 1HT HIS 1 -6.623 8.071 1.245 2 2H HIS 1 2HT HIS 1 -5.207 7.676 0.358 3 3H HIS 1 3HT HIS 1 -5.118 8.766 1.681 4 HA HIS 1 HA HIS 1 -4.299 6.821 2.515 5 1HB HIS 1 2HB HIS 1 -7.262 6.937 3.134 6 2HB HIS 1 1HB HIS 1 -6.050 6.120 4.115 7 HD1 HIS 1 1HD HIS 1 -3.957 7.991 4.721 8 HD2 HIS 1 2HD HIS 1 -7.856 9.332 4.206 9 HE1 HIS 1 1HE HIS 1 -4.059 10.221 5.879 10 HE2 HIS 1 2HE HIS 1 -6.401 11.055 5.472 11 HA PRO 2 HA PRO 2 -5.834 3.650 -0.510 12 1HB PRO 2 2HB PRO 2 -3.423 2.853 -1.409 13 2HB PRO 2 1HB PRO 2 -4.244 4.276 -2.060 14 1HG PRO 2 2HG PRO 2 -2.038 4.120 -0.044 15 2HG PRO 2 1HG PRO 2 -2.232 5.238 -1.406 16 1HD PRO 2 2HD PRO 2 -2.846 5.889 1.173 17 2HD PRO 2 1HD PRO 2 -3.645 6.615 -0.235 18 H LEU 3 H LEU 3 -6.412 2.660 1.606 19 HA LEU 3 HA LEU 3 -4.388 0.861 2.687 20 1HB LEU 3 2HB LEU 3 -5.980 0.460 4.504 21 2HB LEU 3 1HB LEU 3 -5.597 2.157 4.311 22 HG LEU 3 HG LEU 3 -7.743 2.501 3.157 23 1HD1 LEU 3 1HD1 LEU 3 -8.484 0.602 2.160 24 2HD1 LEU 3 2HD1 LEU 3 -9.399 0.495 3.663 25 3HD1 LEU 3 3HD1 LEU 3 -7.917 -0.439 3.466 26 1HD2 LEU 3 1HD2 LEU 3 -9.180 2.214 5.137 27 2HD2 LEU 3 2HD2 LEU 3 -7.610 2.914 5.530 28 3HD2 LEU 3 3HD2 LEU 3 -7.928 1.213 5.874 29 H LYS 4 H LYS 4 -6.886 0.793 0.432 30 HA LYS 4 HA LYS 4 -7.425 -2.056 0.823 31 1HB LYS 4 2HB LYS 4 -9.357 -0.600 0.451 32 2HB LYS 4 1HB LYS 4 -8.668 -0.052 -1.071 33 1HG LYS 4 2HG LYS 4 -8.850 -2.315 -1.971 34 2HG LYS 4 1HG LYS 4 -9.540 -2.866 -0.443 35 1HD LYS 4 2HD LYS 4 -11.424 -1.331 -0.742 36 2HD LYS 4 1HD LYS 4 -10.732 -0.779 -2.269 37 1HE LYS 4 2HE LYS 4 -10.928 -3.045 -3.173 38 2HE LYS 4 1HE LYS 4 -11.617 -3.595 -1.646 39 1HZ LYS 4 1HZ LYS 4 -13.153 -2.939 -3.619 40 2HZ LYS 4 2HZ LYS 4 -12.892 -1.363 -3.067 41 3HZ LYS 4 3HZ LYS 4 -13.582 -2.513 -2.038 42 H GLN 5 H GLN 5 -5.230 -2.631 0.204 43 HA GLN 5 HA GLN 5 -5.037 -3.572 -2.409 44 1HB GLN 5 2HB GLN 5 -4.734 -1.232 -3.048 45 2HB GLN 5 1HB GLN 5 -3.398 -1.083 -1.915 46 1HG GLN 5 2HG GLN 5 -2.119 -2.714 -3.206 47 2HG GLN 5 1HG GLN 5 -3.460 -2.865 -4.340 48 1HE2 GLN 5 1HE2 GLN 5 -0.546 -1.491 -3.921 49 2HE2 GLN 5 2HE2 GLN 5 -0.705 -0.112 -4.950 50 H TYR 6 H TYR 6 -3.469 -2.637 0.536 51 HA TYR 6 HA TYR 6 -1.892 -3.649 1.822 52 1HB TYR 6 2HB TYR 6 -2.208 -5.945 -0.124 53 2HB TYR 6 1HB TYR 6 -1.342 -6.022 1.403 54 HD1 TYR 6 1HD TYR 6 -3.148 -8.042 1.298 55 HD2 TYR 6 2HD TYR 6 -4.049 -3.949 2.043 56 HE1 TYR 6 1HE TYR 6 -5.220 -8.709 2.440 57 HE2 TYR 6 2HE TYR 6 -6.122 -4.607 3.185 58 HH TYR 6 HH TYR 6 -7.714 -6.742 3.028 59 H TRP 7 H TRP 7 -0.424 -2.022 1.125 60 HA TRP 7 HA TRP 7 1.224 -2.244 -1.144 61 1HB TRP 7 2HB TRP 7 2.629 -0.542 -0.044 62 2HB TRP 7 1HB TRP 7 0.919 -0.126 0.033 63 HD1 TRP 7 HD TRP 7 3.345 -2.085 2.369 64 HE1 TRP 7 1HE TRP 7 2.917 -1.294 4.781 65 HE3 TRP 7 3HE TRP 7 -0.374 1.308 1.466 66 HZ2 TRP 7 2HZ TRP 7 1.230 0.527 6.122 67 HZ3 TRP 7 3HZ TRP 7 -1.340 2.531 3.369 68 HH2 TRP 7 HH TRP 7 -0.554 2.147 5.648 69 H TRP 8 H TRP 8 3.733 -2.255 -0.802 70 HA TRP 8 HA TRP 8 4.532 -4.364 1.062 71 1HB TRP 8 2HB TRP 8 4.018 -5.473 -1.072 72 2HB TRP 8 1HB TRP 8 5.117 -4.390 -1.907 73 HD1 TRP 8 HD TRP 8 5.997 -7.027 -2.586 74 HE1 TRP 8 1HE TRP 8 7.947 -8.322 -1.530 75 HE3 TRP 8 3HE TRP 8 6.308 -4.569 1.911 76 HZ2 TRP 8 2HZ TRP 8 9.405 -8.328 0.873 77 HZ3 TRP 8 3HZ TRP 8 8.003 -5.301 3.525 78 HH2 TRP 8 HH TRP 8 9.516 -7.146 3.020 79 H ARG 9 H ARG 9 6.546 -3.330 -1.583 80 HA ARG 9 HA ARG 9 8.543 -2.358 0.194 81 1HB ARG 9 2HB ARG 9 8.357 -2.143 -2.816 82 2HB ARG 9 1HB ARG 9 9.784 -1.775 -1.859 83 1HG ARG 9 2HG ARG 9 8.453 -4.466 -2.079 84 2HG ARG 9 1HG ARG 9 9.945 -3.972 -2.882 85 1HD ARG 9 2HD ARG 9 11.002 -3.631 -0.701 86 2HD ARG 9 1HD ARG 9 9.511 -4.127 0.099 87 HE ARG 9 HE ARG 9 10.297 -6.166 -1.648 88 1HH1 ARG 9 1HH1 ARG 9 11.363 -4.650 1.310 89 2HH1 ARG 9 2HH1 ARG 9 12.157 -6.071 1.900 90 1HH2 ARG 9 1HH2 ARG 9 11.343 -8.036 -0.873 91 2HH2 ARG 9 2HH2 ARG 9 12.147 -7.993 0.661 92 HA PRO 10 HA PRO 10 7.314 1.964 -1.489 93 1HB PRO 10 2HB PRO 10 5.044 2.265 -2.890 94 2HB PRO 10 1HB PRO 10 6.550 1.753 -3.661 95 1HG PRO 10 2HG PRO 10 4.208 0.102 -2.799 96 2HG PRO 10 1HG PRO 10 5.160 0.001 -4.292 97 1HD PRO 10 2HD PRO 10 5.518 -1.655 -2.143 98 2HD PRO 10 1HD PRO 10 6.797 -1.255 -3.305 99 H SER 11 H SER 11 6.957 2.140 0.783 100 HA SER 11 HA SER 11 4.531 1.621 2.082 101 1HB SER 11 2HB SER 11 6.656 3.666 2.773 102 2HB SER 11 1HB SER 11 5.382 3.114 3.860 103 HG SER 11 HG SER 11 7.143 1.883 4.321 104 H ILE 12 H ILE 12 2.858 2.394 0.743 105 HA ILE 12 HA ILE 12 2.499 5.317 0.849 106 HB ILE 12 HB ILE 12 1.615 3.458 -1.364 107 1HG1 ILE 12 2HG1 ILE 12 4.008 3.960 -1.437 108 2HG1 ILE 12 1HG1 ILE 12 3.168 4.766 -2.758 109 1HG2 ILE 12 1HG2 ILE 12 0.006 4.963 -1.721 110 2HG2 ILE 12 2HG2 ILE 12 1.289 6.059 -2.234 111 3HG2 ILE 12 3HG2 ILE 12 0.708 6.101 -0.570 112 1HD1 ILE 12 1HD1 ILE 12 4.047 6.687 -2.120 113 2HD1 ILE 12 2HD1 ILE 12 4.840 5.887 -0.763 114 3HD1 ILE 12 3HD1 ILE 12 3.218 6.550 -0.569 Start of MODEL 9 1 1H HIS 1 1HT HIS 1 -1.704 4.584 6.065 2 2H HIS 1 2HT HIS 1 -0.830 4.447 4.595 3 3H HIS 1 3HT HIS 1 0.005 4.463 6.094 4 HA HIS 1 HA HIS 1 -0.009 2.277 5.440 5 1HB HIS 1 2HB HIS 1 -2.314 2.761 7.343 6 2HB HIS 1 1HB HIS 1 -1.449 1.238 7.163 7 HD1 HIS 1 1HD HIS 1 1.361 1.745 7.485 8 HD2 HIS 1 2HD HIS 1 -1.416 4.084 9.507 9 HE1 HIS 1 1HE HIS 1 2.614 2.759 9.415 10 HE2 HIS 1 2HE HIS 1 0.892 4.101 10.674 11 HA PRO 2 HA PRO 2 -2.718 0.932 2.218 12 1HB PRO 2 2HB PRO 2 -2.589 -1.742 3.509 13 2HB PRO 2 1HB PRO 2 -2.211 -1.272 1.848 14 1HG PRO 2 2HG PRO 2 -0.274 -1.834 3.600 15 2HG PRO 2 1HG PRO 2 -0.085 -0.548 2.395 16 1HD PRO 2 2HD PRO 2 -0.646 -0.344 5.318 17 2HD PRO 2 1HD PRO 2 0.324 0.716 4.274 18 H LEU 3 H LEU 3 -4.881 0.636 1.899 19 HA LEU 3 HA LEU 3 -6.510 -0.151 4.205 20 1HB LEU 3 2HB LEU 3 -8.125 1.618 3.699 21 2HB LEU 3 1HB LEU 3 -6.559 2.253 4.156 22 HG LEU 3 HG LEU 3 -6.057 2.698 1.789 23 1HD1 LEU 3 1HD1 LEU 3 -8.186 2.698 0.291 24 2HD1 LEU 3 2HD1 LEU 3 -8.729 1.437 1.398 25 3HD1 LEU 3 3HD1 LEU 3 -7.237 1.223 0.482 26 1HD2 LEU 3 1HD2 LEU 3 -7.351 4.653 1.614 27 2HD2 LEU 3 2HD2 LEU 3 -7.205 4.340 3.344 28 3HD2 LEU 3 3HD2 LEU 3 -8.699 3.937 2.497 29 H LYS 4 H LYS 4 -5.664 -1.030 1.242 30 HA LYS 4 HA LYS 4 -7.762 -2.792 0.829 31 1HB LYS 4 2HB LYS 4 -9.121 -0.827 0.318 32 2HB LYS 4 1HB LYS 4 -7.957 -0.326 -0.899 33 1HG LYS 4 2HG LYS 4 -8.460 -2.328 -2.206 34 2HG LYS 4 1HG LYS 4 -9.627 -2.831 -0.981 35 1HD LYS 4 2HD LYS 4 -10.932 -0.801 -1.393 36 2HD LYS 4 1HD LYS 4 -9.763 -0.297 -2.615 37 1HE LYS 4 2HE LYS 4 -10.282 -2.296 -3.931 38 2HE LYS 4 1HE LYS 4 -11.448 -2.798 -2.708 39 1HZ LYS 4 1HZ LYS 4 -12.346 -1.605 -4.734 40 2HZ LYS 4 2HZ LYS 4 -11.666 -0.196 -4.095 41 3HZ LYS 4 3HZ LYS 4 -12.858 -1.026 -3.230 42 H GLN 5 H GLN 5 -5.214 -0.898 -0.553 43 HA GLN 5 HA GLN 5 -4.768 -2.726 -2.739 44 1HB GLN 5 2HB GLN 5 -4.362 -0.341 -3.070 45 2HB GLN 5 1HB GLN 5 -3.155 -0.355 -1.793 46 1HG GLN 5 2HG GLN 5 -1.768 -1.865 -3.117 47 2HG GLN 5 1HG GLN 5 -2.979 -1.854 -4.398 48 1HE2 GLN 5 1HE2 GLN 5 -0.108 -0.613 -3.518 49 2HE2 GLN 5 2HE2 GLN 5 -0.134 0.876 -4.396 50 H TYR 6 H TYR 6 -3.468 -2.118 0.421 51 HA TYR 6 HA TYR 6 -1.909 -3.189 1.697 52 1HB TYR 6 2HB TYR 6 -2.578 -5.490 -0.151 53 2HB TYR 6 1HB TYR 6 -1.715 -5.632 1.374 54 HD1 TYR 6 1HD TYR 6 -3.799 -7.370 1.356 55 HD2 TYR 6 2HD TYR 6 -4.085 -3.164 1.949 56 HE1 TYR 6 1HE TYR 6 -5.933 -7.684 2.536 57 HE2 TYR 6 2HE TYR 6 -6.218 -3.469 3.125 58 HH TYR 6 HH TYR 6 -7.373 -5.301 4.399 59 H TRP 7 H TRP 7 -0.333 -1.700 0.678 60 HA TRP 7 HA TRP 7 1.364 -2.787 -1.395 61 1HB TRP 7 2HB TRP 7 2.628 -0.687 -1.157 62 2HB TRP 7 1HB TRP 7 0.905 -0.388 -1.362 63 HD1 TRP 7 HD TRP 7 3.224 -0.874 1.729 64 HE1 TRP 7 1HE TRP 7 2.612 0.932 3.457 65 HE3 TRP 7 3HE TRP 7 -0.527 1.467 -0.836 66 HZ2 TRP 7 2HZ TRP 7 0.781 3.066 3.701 67 HZ3 TRP 7 3HZ TRP 7 -1.658 3.383 0.214 68 HH2 TRP 7 HH TRP 7 -1.017 4.164 2.437 69 H TRP 8 H TRP 8 3.650 -3.107 -1.154 70 HA TRP 8 HA TRP 8 4.386 -3.994 1.556 71 1HB TRP 8 2HB TRP 8 4.246 -5.806 -0.099 72 2HB TRP 8 1HB TRP 8 5.391 -4.966 -1.128 73 HD1 TRP 8 HD TRP 8 6.503 -7.574 -0.735 74 HE1 TRP 8 1HE TRP 8 8.351 -8.227 0.925 75 HE3 TRP 8 3HE TRP 8 6.031 -3.714 2.620 76 HZ2 TRP 8 2HZ TRP 8 9.449 -7.268 3.328 77 HZ3 TRP 8 3HZ TRP 8 7.516 -3.678 4.572 78 HH2 TRP 8 HH TRP 8 9.187 -5.421 4.923 79 H ARG 9 H ARG 9 6.730 -3.753 -0.999 80 HA ARG 9 HA ARG 9 8.502 -2.195 0.488 81 1HB ARG 9 2HB ARG 9 8.390 -2.566 -2.510 82 2HB ARG 9 1HB ARG 9 9.761 -1.927 -1.617 83 1HG ARG 9 2HG ARG 9 8.615 -4.698 -1.345 84 2HG ARG 9 1HG ARG 9 10.094 -4.261 -2.203 85 1HD ARG 9 2HD ARG 9 11.064 -3.447 -0.108 86 2HD ARG 9 1HD ARG 9 9.584 -3.882 0.747 87 HE ARG 9 HE ARG 9 10.545 -6.156 -0.568 88 1HH1 ARG 9 1HH1 ARG 9 11.445 -4.039 2.055 89 2HH1 ARG 9 2HH1 ARG 9 12.305 -5.269 2.919 90 1HH2 ARG 9 1HH2 ARG 9 11.674 -7.776 0.567 91 2HH2 ARG 9 2HH2 ARG 9 12.436 -7.391 2.074 92 HA PRO 10 HA PRO 10 6.908 1.516 -2.352 93 1HB PRO 10 2HB PRO 10 4.049 0.714 -2.418 94 2HB PRO 10 1HB PRO 10 5.035 1.471 -3.673 95 1HG PRO 10 2HG PRO 10 4.353 -1.100 -3.838 96 2HG PRO 10 1HG PRO 10 5.959 -0.544 -4.348 97 1HD PRO 10 2HD PRO 10 5.150 -1.964 -1.844 98 2HD PRO 10 1HD PRO 10 6.607 -2.166 -2.835 99 H SER 11 H SER 11 4.698 3.002 -1.810 100 HA SER 11 HA SER 11 3.848 2.784 0.911 101 1HB SER 11 2HB SER 11 5.831 4.965 0.217 102 2HB SER 11 1HB SER 11 4.929 4.850 1.728 103 HG SER 11 HG SER 11 5.959 2.742 1.972 104 H ILE 12 H ILE 12 2.717 3.129 -1.751 105 HA ILE 12 HA ILE 12 1.092 5.500 -1.183 106 HB ILE 12 HB ILE 12 2.293 4.894 -3.891 107 1HG1 ILE 12 2HG1 ILE 12 3.880 5.951 -2.357 108 2HG1 ILE 12 1HG1 ILE 12 3.401 7.077 -3.624 109 1HG2 ILE 12 1HG2 ILE 12 0.248 6.918 -3.015 110 2HG2 ILE 12 2HG2 ILE 12 0.110 5.705 -4.287 111 3HG2 ILE 12 3HG2 ILE 12 1.183 7.088 -4.501 112 1HD1 ILE 12 1HD1 ILE 12 1.630 7.397 -1.428 113 2HD1 ILE 12 2HD1 ILE 12 2.791 8.546 -2.095 114 3HD1 ILE 12 3HD1 ILE 12 3.289 7.424 -0.828 Start of MODEL 10 1 1H HIS 1 1HT HIS 1 -3.106 5.351 3.104 2 2H HIS 1 2HT HIS 1 -3.465 6.822 3.908 3 3H HIS 1 3HT HIS 1 -2.754 6.848 2.347 4 HA HIS 1 HA HIS 1 -5.481 6.451 3.168 5 1HB HIS 1 2HB HIS 1 -4.126 7.477 0.664 6 2HB HIS 1 1HB HIS 1 -5.854 7.557 0.987 7 HD1 HIS 1 1HD HIS 1 -6.244 8.811 3.541 8 HD2 HIS 1 2HD HIS 1 -2.971 9.847 1.199 9 HE1 HIS 1 1HE HIS 1 -5.515 11.072 4.366 10 HE2 HIS 1 2HE HIS 1 -3.579 11.711 2.885 11 HA PRO 2 HA PRO 2 -5.290 3.306 -0.435 12 1HB PRO 2 2HB PRO 2 -2.933 2.518 -1.439 13 2HB PRO 2 1HB PRO 2 -3.711 4.014 -1.971 14 1HG PRO 2 2HG PRO 2 -1.465 3.631 -0.036 15 2HG PRO 2 1HG PRO 2 -1.661 4.862 -1.296 16 1HD PRO 2 2HD PRO 2 -2.197 5.270 1.369 17 2HD PRO 2 1HD PRO 2 -2.928 6.201 0.050 18 H LEU 3 H LEU 3 -5.858 2.203 1.612 19 HA LEU 3 HA LEU 3 -3.868 0.177 2.366 20 1HB LEU 3 2HB LEU 3 -5.058 -0.020 4.498 21 2HB LEU 3 1HB LEU 3 -4.433 1.593 4.222 22 HG LEU 3 HG LEU 3 -6.687 2.350 3.590 23 1HD1 LEU 3 1HD1 LEU 3 -8.572 0.752 4.340 24 2HD1 LEU 3 2HD1 LEU 3 -7.373 -0.515 4.087 25 3HD1 LEU 3 3HD1 LEU 3 -7.843 0.534 2.749 26 1HD2 LEU 3 1HD2 LEU 3 -5.733 2.267 5.990 27 2HD2 LEU 3 2HD2 LEU 3 -6.928 0.994 6.243 28 3HD2 LEU 3 3HD2 LEU 3 -7.448 2.609 5.761 29 H LYS 4 H LYS 4 -6.087 0.288 0.207 30 HA LYS 4 HA LYS 4 -7.644 -2.049 1.008 31 1HB LYS 4 2HB LYS 4 -8.866 -0.187 0.006 32 2HB LYS 4 1HB LYS 4 -7.856 -0.278 -1.430 33 1HG LYS 4 2HG LYS 4 -8.732 -2.506 -1.911 34 2HG LYS 4 1HG LYS 4 -9.745 -2.416 -0.469 35 1HD LYS 4 2HD LYS 4 -10.904 -0.473 -1.406 36 2HD LYS 4 1HD LYS 4 -9.888 -0.562 -2.847 37 1HE LYS 4 2HE LYS 4 -10.779 -2.789 -3.332 38 2HE LYS 4 1HE LYS 4 -11.791 -2.700 -1.892 39 1HZ LYS 4 1HZ LYS 4 -13.097 -2.134 -3.793 40 2HZ LYS 4 2HZ LYS 4 -11.973 -0.977 -4.302 41 3HZ LYS 4 3HZ LYS 4 -12.863 -0.723 -2.887 42 H GLN 5 H GLN 5 -4.887 -1.233 -0.828 43 HA GLN 5 HA GLN 5 -5.013 -3.752 -2.329 44 1HB GLN 5 2HB GLN 5 -4.608 -1.752 -3.672 45 2HB GLN 5 1HB GLN 5 -3.209 -1.353 -2.685 46 1HG GLN 5 2HG GLN 5 -2.092 -3.388 -3.438 47 2HG GLN 5 1HG GLN 5 -3.496 -3.791 -4.427 48 1HE2 GLN 5 1HE2 GLN 5 -0.490 -2.560 -4.550 49 2HE2 GLN 5 2HE2 GLN 5 -0.624 -1.562 -5.954 50 H TYR 6 H TYR 6 -3.547 -2.320 0.388 51 HA TYR 6 HA TYR 6 -1.973 -3.038 1.862 52 1HB TYR 6 2HB TYR 6 -2.239 -5.648 0.353 53 2HB TYR 6 1HB TYR 6 -1.426 -5.449 1.899 54 HD1 TYR 6 1HD TYR 6 -3.240 -7.454 2.097 55 HD2 TYR 6 2HD TYR 6 -4.141 -3.294 2.058 56 HE1 TYR 6 1HE TYR 6 -5.354 -7.905 3.266 57 HE2 TYR 6 2HE TYR 6 -6.257 -3.738 3.226 58 HH TYR 6 HH TYR 6 -6.944 -6.608 4.765 59 H TRP 7 H TRP 7 -0.489 -1.550 0.875 60 HA TRP 7 HA TRP 7 1.213 -2.160 -1.257 61 1HB TRP 7 2HB TRP 7 2.646 -0.348 -0.398 62 2HB TRP 7 1HB TRP 7 0.947 0.115 -0.411 63 HD1 TRP 7 HD TRP 7 3.290 -1.530 2.230 64 HE1 TRP 7 1HE TRP 7 2.854 -0.375 4.488 65 HE3 TRP 7 3HE TRP 7 -0.321 1.779 0.766 66 HZ2 TRP 7 2HZ TRP 7 1.198 1.669 5.513 67 HZ3 TRP 7 3HZ TRP 7 -1.280 3.299 2.446 68 HH2 TRP 7 HH TRP 7 -0.535 3.244 4.771 69 H TRP 8 H TRP 8 3.581 -2.487 -1.132 70 HA TRP 8 HA TRP 8 4.332 -4.255 1.100 71 1HB TRP 8 2HB TRP 8 3.856 -5.564 -0.926 72 2HB TRP 8 1HB TRP 8 5.007 -4.598 -1.830 73 HD1 TRP 8 HD TRP 8 5.841 -7.308 -2.210 74 HE1 TRP 8 1HE TRP 8 7.724 -8.532 -0.964 75 HE3 TRP 8 3HE TRP 8 6.074 -4.413 2.024 76 HZ2 TRP 8 2HZ TRP 8 9.106 -8.327 1.474 77 HZ3 TRP 8 3HZ TRP 8 7.699 -5.016 3.760 78 HH2 TRP 8 HH TRP 8 9.180 -6.934 3.495 79 H ARG 9 H ARG 9 6.452 -3.544 -1.568 80 HA ARG 9 HA ARG 9 8.496 -2.565 0.088 81 1HB ARG 9 2HB ARG 9 8.158 -2.254 -2.900 82 2HB ARG 9 1HB ARG 9 9.642 -1.952 -2.010 83 1HG ARG 9 2HG ARG 9 8.228 -4.600 -2.239 84 2HG ARG 9 1HG ARG 9 9.689 -4.122 -3.103 85 1HD ARG 9 2HD ARG 9 10.867 -3.877 -0.972 86 2HD ARG 9 1HD ARG 9 9.407 -4.355 -0.109 87 HE ARG 9 HE ARG 9 10.039 -6.362 -1.952 88 1HH1 ARG 9 1HH1 ARG 9 11.313 -4.962 0.979 89 2HH1 ARG 9 2HH1 ARG 9 12.091 -6.424 1.487 90 1HH2 ARG 9 1HH2 ARG 9 11.062 -8.285 -1.286 91 2HH2 ARG 9 2HH2 ARG 9 11.949 -8.310 0.201 92 HA PRO 10 HA PRO 10 7.284 1.833 -1.409 93 1HB PRO 10 2HB PRO 10 4.946 2.221 -2.671 94 2HB PRO 10 1HB PRO 10 6.396 1.704 -3.541 95 1HG PRO 10 2HG PRO 10 4.071 0.073 -2.594 96 2HG PRO 10 1HG PRO 10 4.933 0.000 -4.142 97 1HD PRO 10 2HD PRO 10 5.381 -1.730 -2.074 98 2HD PRO 10 1HD PRO 10 6.604 -1.312 -3.288 99 H SER 11 H SER 11 7.059 1.884 0.902 100 HA SER 11 HA SER 11 4.488 1.560 2.127 101 1HB SER 11 2HB SER 11 7.040 2.769 3.215 102 2HB SER 11 1HB SER 11 5.611 2.379 4.171 103 HG SER 11 HG SER 11 6.618 0.533 4.381 104 H ILE 12 H ILE 12 6.093 4.119 0.523 105 HA ILE 12 HA ILE 12 5.512 6.273 0.077 106 HB ILE 12 HB ILE 12 2.847 5.456 1.251 107 1HG1 ILE 12 2HG1 ILE 12 3.483 4.122 -0.702 108 2HG1 ILE 12 1HG1 ILE 12 2.158 5.211 -1.101 109 1HG2 ILE 12 1HG2 ILE 12 2.227 7.432 -0.441 110 2HG2 ILE 12 2HG2 ILE 12 3.827 7.979 0.057 111 3HG2 ILE 12 3HG2 ILE 12 2.574 7.706 1.266 112 1HD1 ILE 12 1HD1 ILE 12 3.838 6.763 -2.088 113 2HD1 ILE 12 2HD1 ILE 12 3.694 5.212 -2.913 114 3HD1 ILE 12 3HD1 ILE 12 5.055 5.514 -1.834 Start of MODEL 11 1 1H HIS 1 1HT HIS 1 -3.206 6.078 3.084 2 2H HIS 1 2HT HIS 1 -3.200 4.468 3.678 3 3H HIS 1 3HT HIS 1 -3.164 5.788 4.772 4 HA HIS 1 HA HIS 1 -5.304 5.400 4.929 5 1HB HIS 1 2HB HIS 1 -5.173 6.845 2.273 6 2HB HIS 1 1HB HIS 1 -6.585 6.774 3.319 7 HD1 HIS 1 1HD HIS 1 -5.814 7.636 5.947 8 HD2 HIS 1 2HD HIS 1 -3.890 9.186 2.606 9 HE1 HIS 1 1HE HIS 1 -4.788 9.803 6.707 10 HE2 HIS 1 2HE HIS 1 -3.560 10.682 4.689 11 HA PRO 2 HA PRO 2 -6.718 2.805 1.165 12 1HB PRO 2 2HB PRO 2 -5.046 2.324 -0.872 13 2HB PRO 2 1HB PRO 2 -5.972 3.826 -0.773 14 1HG PRO 2 2HG PRO 2 -3.106 3.317 -0.088 15 2HG PRO 2 1HG PRO 2 -3.827 4.699 -0.933 16 1HD PRO 2 2HD PRO 2 -3.141 4.695 1.728 17 2HD PRO 2 1HD PRO 2 -4.374 5.751 1.017 18 H LEU 3 H LEU 3 -6.368 1.360 3.019 19 HA LEU 3 HA LEU 3 -4.047 -0.332 3.021 20 1HB LEU 3 2HB LEU 3 -5.139 -1.479 4.889 21 2HB LEU 3 1HB LEU 3 -5.054 0.255 5.124 22 HG LEU 3 HG LEU 3 -7.423 0.449 4.489 23 1HD1 LEU 3 1HD1 LEU 3 -7.108 -2.459 3.997 24 2HD1 LEU 3 2HD1 LEU 3 -8.054 -1.255 3.121 25 3HD1 LEU 3 3HD1 LEU 3 -8.640 -1.888 4.658 26 1HD2 LEU 3 1HD2 LEU 3 -6.685 -1.381 6.752 27 2HD2 LEU 3 2HD2 LEU 3 -8.330 -0.793 6.507 28 3HD2 LEU 3 3HD2 LEU 3 -7.020 0.350 6.802 29 H LYS 4 H LYS 4 -6.882 -0.311 1.237 30 HA LYS 4 HA LYS 4 -7.265 -3.151 1.055 31 1HB LYS 4 2HB LYS 4 -9.146 -1.625 0.735 32 2HB LYS 4 1HB LYS 4 -8.341 -0.900 -0.650 33 1HG LYS 4 2HG LYS 4 -8.478 -3.026 -1.846 34 2HG LYS 4 1HG LYS 4 -9.285 -3.755 -0.456 35 1HD LYS 4 2HD LYS 4 -11.126 -2.158 -0.690 36 2HD LYS 4 1HD LYS 4 -10.318 -1.429 -2.079 37 1HE LYS 4 2HE LYS 4 -10.468 -3.557 -3.278 38 2HE LYS 4 1HE LYS 4 -11.274 -4.284 -1.889 39 1HZ LYS 4 1HZ LYS 4 -12.463 -1.855 -2.973 40 2HZ LYS 4 2HZ LYS 4 -13.208 -3.241 -2.350 41 3HZ LYS 4 3HZ LYS 4 -12.592 -3.248 -3.925 42 H GLN 5 H GLN 5 -5.195 -0.873 -0.424 43 HA GLN 5 HA GLN 5 -4.803 -2.290 -2.884 44 1HB GLN 5 2HB GLN 5 -4.415 0.119 -2.754 45 2HB GLN 5 1HB GLN 5 -3.143 -0.136 -1.567 46 1HG GLN 5 2HG GLN 5 -1.827 -1.342 -3.232 47 2HG GLN 5 1HG GLN 5 -3.102 -1.088 -4.422 48 1HE2 GLN 5 1HE2 GLN 5 -0.188 -0.020 -3.461 49 2HE2 GLN 5 2HE2 GLN 5 -0.257 1.611 -4.024 50 H TYR 6 H TYR 6 -3.608 -2.597 0.309 51 HA TYR 6 HA TYR 6 -2.116 -4.013 1.277 52 1HB TYR 6 2HB TYR 6 -2.232 -5.411 -1.404 53 2HB TYR 6 1HB TYR 6 -1.527 -6.084 0.059 54 HD1 TYR 6 1HD TYR 6 -3.315 -7.850 -0.961 55 HD2 TYR 6 2HD TYR 6 -4.283 -4.291 1.164 56 HE1 TYR 6 1HE TYR 6 -5.494 -8.810 -0.351 57 HE2 TYR 6 2HE TYR 6 -6.463 -5.244 1.777 58 HH TYR 6 HH TYR 6 -7.443 -7.580 2.043 59 H TRP 7 H TRP 7 -0.705 -2.073 1.156 60 HA TRP 7 HA TRP 7 1.311 -1.934 -0.867 61 1HB TRP 7 2HB TRP 7 2.311 -0.190 0.559 62 2HB TRP 7 1HB TRP 7 0.589 0.080 0.308 63 HD1 TRP 7 HD TRP 7 2.674 -1.803 3.006 64 HE1 TRP 7 1HE TRP 7 1.710 -1.183 5.311 65 HE3 TRP 7 3HE TRP 7 -1.081 1.322 1.501 66 HZ2 TRP 7 2HZ TRP 7 -0.368 0.419 6.352 67 HZ3 TRP 7 3HZ TRP 7 -2.512 2.358 3.214 68 HH2 TRP 7 HH TRP 7 -2.161 1.915 5.589 69 H TRP 8 H TRP 8 3.665 -1.974 -0.300 70 HA TRP 8 HA TRP 8 4.492 -3.623 1.903 71 1HB TRP 8 2HB TRP 8 3.674 -5.330 0.337 72 2HB TRP 8 1HB TRP 8 4.719 -4.690 -0.920 73 HD1 TRP 8 HD TRP 8 5.378 -7.470 -0.735 74 HE1 TRP 8 1HE TRP 8 7.374 -8.501 0.508 75 HE3 TRP 8 3HE TRP 8 6.350 -3.684 2.595 76 HZ2 TRP 8 2HZ TRP 8 9.109 -7.831 2.615 77 HZ3 TRP 8 3HZ TRP 8 8.188 -3.978 4.190 78 HH2 TRP 8 HH TRP 8 9.537 -6.011 4.205 79 H ARG 9 H ARG 9 6.283 -3.774 -1.067 80 HA ARG 9 HA ARG 9 8.572 -2.606 0.005 81 1HB ARG 9 2HB ARG 9 7.796 -2.879 -2.903 82 2HB ARG 9 1HB ARG 9 9.414 -2.529 -2.312 83 1HG ARG 9 2HG ARG 9 7.844 -5.040 -1.773 84 2HG ARG 9 1HG ARG 9 9.178 -4.871 -2.916 85 1HD ARG 9 2HD ARG 9 10.681 -4.300 -1.071 86 2HD ARG 9 1HD ARG 9 9.346 -4.469 0.070 87 HE ARG 9 HE ARG 9 9.580 -6.853 -1.375 88 1HH1 ARG 9 1HH1 ARG 9 11.364 -5.001 0.985 89 2HH1 ARG 9 2HH1 ARG 9 12.131 -6.390 1.679 90 1HH2 ARG 9 1HH2 ARG 9 10.589 -8.680 -0.463 91 2HH2 ARG 9 2HH2 ARG 9 11.692 -8.478 0.856 92 HA PRO 10 HA PRO 10 7.341 1.499 -2.077 93 1HB PRO 10 2HB PRO 10 4.980 1.793 -3.285 94 2HB PRO 10 1HB PRO 10 6.314 0.958 -4.089 95 1HG PRO 10 2HG PRO 10 3.909 -0.175 -2.734 96 2HG PRO 10 1HG PRO 10 4.717 -0.710 -4.217 97 1HD PRO 10 2HD PRO 10 5.061 -1.832 -1.693 98 2HD PRO 10 1HD PRO 10 6.164 -2.032 -3.065 99 H SER 11 H SER 11 5.256 3.183 -1.934 100 HA SER 11 HA SER 11 3.561 2.767 0.322 101 1HB SER 11 2HB SER 11 5.904 4.655 0.666 102 2HB SER 11 1HB SER 11 4.550 4.498 1.784 103 HG SER 11 HG SER 11 5.209 2.189 1.861 104 H ILE 12 H ILE 12 3.386 3.633 -2.443 105 HA ILE 12 HA ILE 12 2.249 5.146 -3.707 106 HB ILE 12 HB ILE 12 1.292 6.162 -1.025 107 1HG1 ILE 12 2HG1 ILE 12 0.721 3.815 -1.417 108 2HG1 ILE 12 1HG1 ILE 12 -0.720 4.824 -1.504 109 1HG2 ILE 12 1HG2 ILE 12 0.672 7.906 -2.348 110 2HG2 ILE 12 2HG2 ILE 12 -0.688 6.830 -2.669 111 3HG2 ILE 12 3HG2 ILE 12 0.647 6.928 -3.816 112 1HD1 ILE 12 1HD1 ILE 12 -1.034 3.473 -3.312 113 2HD1 ILE 12 2HD1 ILE 12 0.692 3.339 -3.653 114 3HD1 ILE 12 3HD1 ILE 12 -0.177 4.816 -4.069 Start of MODEL 12 1 1H HIS 1 1HT HIS 1 -4.805 7.597 0.836 2 2H HIS 1 2HT HIS 1 -3.777 6.924 -0.362 3 3H HIS 1 3HT HIS 1 -3.166 8.091 0.738 4 HA HIS 1 HA HIS 1 -2.380 6.090 1.500 5 1HB HIS 1 2HB HIS 1 -4.922 6.787 2.992 6 2HB HIS 1 1HB HIS 1 -3.586 5.846 3.647 7 HD1 HIS 1 1HD HIS 1 -1.162 7.349 3.308 8 HD2 HIS 1 2HD HIS 1 -4.773 9.329 3.861 9 HE1 HIS 1 1HE HIS 1 -0.551 9.647 4.130 10 HE2 HIS 1 2HE HIS 1 -2.754 10.796 4.541 11 HA PRO 2 HA PRO 2 -4.877 2.942 -0.791 12 1HB PRO 2 2HB PRO 2 -2.303 1.536 -0.257 13 2HB PRO 2 1HB PRO 2 -3.259 1.607 -1.741 14 1HG PRO 2 2HG PRO 2 -1.026 3.034 -1.501 15 2HG PRO 2 1HG PRO 2 -2.451 3.702 -2.320 16 1HD PRO 2 2HD PRO 2 -1.378 4.288 0.402 17 2HD PRO 2 1HD PRO 2 -2.168 5.374 -0.759 18 H LEU 3 H LEU 3 -6.272 1.716 0.295 19 HA LEU 3 HA LEU 3 -5.354 0.374 2.744 20 1HB LEU 3 2HB LEU 3 -7.579 0.708 3.711 21 2HB LEU 3 1HB LEU 3 -6.760 2.220 3.378 22 HG LEU 3 HG LEU 3 -8.124 2.505 1.351 23 1HD1 LEU 3 1HD1 LEU 3 -8.765 0.449 0.566 24 2HD1 LEU 3 2HD1 LEU 3 -10.246 0.983 1.359 25 3HD1 LEU 3 3HD1 LEU 3 -9.174 -0.159 2.170 26 1HD2 LEU 3 1HD2 LEU 3 -9.117 3.709 2.990 27 2HD2 LEU 3 2HD2 LEU 3 -9.262 2.325 4.073 28 3HD2 LEU 3 3HD2 LEU 3 -10.402 2.526 2.743 29 H LYS 4 H LYS 4 -6.280 -0.180 -0.323 30 HA LYS 4 HA LYS 4 -7.711 -2.659 0.359 31 1HB LYS 4 2HB LYS 4 -9.019 -1.153 -1.052 32 2HB LYS 4 1HB LYS 4 -7.714 -1.097 -2.228 33 1HG LYS 4 2HG LYS 4 -8.001 -3.483 -2.667 34 2HG LYS 4 1HG LYS 4 -9.311 -3.540 -1.484 35 1HD LYS 4 2HD LYS 4 -10.588 -1.938 -2.825 36 2HD LYS 4 1HD LYS 4 -9.277 -1.879 -4.005 37 1HE LYS 4 2HE LYS 4 -9.579 -4.266 -4.454 38 2HE LYS 4 1HE LYS 4 -10.887 -4.323 -3.273 39 1HZ LYS 4 1HZ LYS 4 -11.096 -2.367 -5.436 40 2HZ LYS 4 2HZ LYS 4 -12.310 -3.252 -4.659 41 3HZ LYS 4 3HZ LYS 4 -11.342 -3.993 -5.830 42 H GLN 5 H GLN 5 -4.835 -1.362 -0.947 43 HA GLN 5 HA GLN 5 -4.124 -3.883 -2.249 44 1HB GLN 5 2HB GLN 5 -3.719 -1.840 -3.528 45 2HB GLN 5 1HB GLN 5 -2.713 -1.210 -2.231 46 1HG GLN 5 2HG GLN 5 -1.117 -3.024 -2.583 47 2HG GLN 5 1HG GLN 5 -2.126 -3.657 -3.884 48 1HE2 GLN 5 1HE2 GLN 5 0.559 -1.930 -3.275 49 2HE2 GLN 5 2HE2 GLN 5 0.635 -0.965 -4.706 50 H TYR 6 H TYR 6 -3.577 -2.101 0.625 51 HA TYR 6 HA TYR 6 -2.342 -2.504 2.488 52 1HB TYR 6 2HB TYR 6 -1.963 -5.228 1.230 53 2HB TYR 6 1HB TYR 6 -1.573 -4.818 2.895 54 HD1 TYR 6 1HD TYR 6 -3.167 -7.011 2.867 55 HD2 TYR 6 2HD TYR 6 -4.451 -3.008 2.201 56 HE1 TYR 6 1HE TYR 6 -5.444 -7.632 3.551 57 HE2 TYR 6 2HE TYR 6 -6.730 -3.621 2.882 58 HH TYR 6 HH TYR 6 -8.107 -5.853 2.911 59 H TRP 7 H TRP 7 -1.097 -1.689 -0.197 60 HA TRP 7 HA TRP 7 0.956 -1.356 -1.146 61 1HB TRP 7 2HB TRP 7 2.571 -0.330 0.404 62 2HB TRP 7 1HB TRP 7 0.942 0.279 0.661 63 HD1 TRP 7 HD TRP 7 3.024 -2.640 2.187 64 HE1 TRP 7 1HE TRP 7 2.672 -2.598 4.736 65 HE3 TRP 7 3HE TRP 7 -0.165 1.345 2.501 66 HZ2 TRP 7 2HZ TRP 7 1.232 -1.076 6.629 67 HZ3 TRP 7 3HZ TRP 7 -0.984 2.028 4.718 68 HH2 TRP 7 HH TRP 7 -0.299 0.841 6.738 69 H TRP 8 H TRP 8 3.554 -1.753 -0.303 70 HA TRP 8 HA TRP 8 4.056 -4.363 0.675 71 1HB TRP 8 2HB TRP 8 3.082 -5.003 -1.489 72 2HB TRP 8 1HB TRP 8 4.246 -3.990 -2.324 73 HD1 TRP 8 HD TRP 8 4.530 -6.590 -3.490 74 HE1 TRP 8 1HE TRP 8 6.329 -8.337 -2.938 75 HE3 TRP 8 3HE TRP 8 5.867 -4.978 1.199 76 HZ2 TRP 8 2HZ TRP 8 8.060 -8.970 -0.818 77 HZ3 TRP 8 3HZ TRP 8 7.594 -6.228 2.411 78 HH2 TRP 8 HH TRP 8 8.665 -8.185 1.428 79 H ARG 9 H ARG 9 5.940 -3.363 -2.060 80 HA ARG 9 HA ARG 9 8.270 -3.033 -0.503 81 1HB ARG 9 2HB ARG 9 7.745 -2.192 -3.361 82 2HB ARG 9 1HB ARG 9 9.326 -2.274 -2.599 83 1HG ARG 9 2HG ARG 9 7.471 -4.599 -3.063 84 2HG ARG 9 1HG ARG 9 8.916 -4.215 -4.002 85 1HD ARG 9 2HD ARG 9 10.290 -4.507 -1.997 86 2HD ARG 9 1HD ARG 9 8.846 -4.891 -1.062 87 HE ARG 9 HE ARG 9 8.979 -6.639 -3.243 88 1HH1 ARG 9 1HH1 ARG 9 10.698 -5.958 -0.283 89 2HH1 ARG 9 2HH1 ARG 9 11.262 -7.583 -0.089 90 1HH2 ARG 9 1HH2 ARG 9 9.718 -8.778 -2.989 91 2HH2 ARG 9 2HH2 ARG 9 10.706 -9.185 -1.626 92 HA PRO 10 HA PRO 10 7.592 1.702 -1.333 93 1HB PRO 10 2HB PRO 10 4.697 1.961 -1.701 94 2HB PRO 10 1HB PRO 10 6.011 2.591 -2.698 95 1HG PRO 10 2HG PRO 10 4.409 0.586 -3.530 96 2HG PRO 10 1HG PRO 10 6.117 0.692 -3.994 97 1HD PRO 10 2HD PRO 10 4.827 -1.007 -1.888 98 2HD PRO 10 1HD PRO 10 6.091 -1.434 -3.060 99 H SER 11 H SER 11 5.685 3.364 -0.268 100 HA SER 11 HA SER 11 4.546 2.331 2.138 101 1HB SER 11 2HB SER 11 7.022 4.057 2.385 102 2HB SER 11 1HB SER 11 5.967 3.593 3.719 103 HG SER 11 HG SER 11 6.475 1.370 3.101 104 H ILE 12 H ILE 12 3.776 3.924 -0.161 105 HA ILE 12 HA ILE 12 3.521 6.657 0.587 106 HB ILE 12 HB ILE 12 1.935 5.054 -1.426 107 1HG1 ILE 12 2HG1 ILE 12 4.330 5.111 -1.926 108 2HG1 ILE 12 1HG1 ILE 12 3.434 6.095 -3.080 109 1HG2 ILE 12 1HG2 ILE 12 1.428 7.284 -2.415 110 2HG2 ILE 12 2HG2 ILE 12 2.127 8.029 -0.977 111 3HG2 ILE 12 3HG2 ILE 12 0.689 7.016 -0.835 112 1HD1 ILE 12 1HD1 ILE 12 5.541 6.841 -1.251 113 2HD1 ILE 12 2HD1 ILE 12 4.120 7.871 -1.076 114 3HD1 ILE 12 3HD1 ILE 12 4.897 7.702 -2.650 Start of MODEL 13 1 1H HIS 1 1HT HIS 1 -5.448 6.255 1.601 2 2H HIS 1 2HT HIS 1 -4.342 6.986 2.690 3 3H HIS 1 3HT HIS 1 -6.002 6.859 3.106 4 HA HIS 1 HA HIS 1 -3.970 4.758 2.927 5 1HB HIS 1 2HB HIS 1 -5.957 5.624 5.041 6 2HB HIS 1 1HB HIS 1 -4.805 4.304 5.211 7 HD1 HIS 1 1HD HIS 1 -2.180 5.307 4.610 8 HD2 HIS 1 2HD HIS 1 -5.033 7.822 6.284 9 HE1 HIS 1 1HE HIS 1 -0.883 7.186 5.665 10 HE2 HIS 1 2HE HIS 1 -2.626 8.645 6.753 11 HA PRO 2 HA PRO 2 -7.827 2.877 1.121 12 1HB PRO 2 2HB PRO 2 -6.581 1.499 -0.846 13 2HB PRO 2 1HB PRO 2 -7.063 3.190 -1.029 14 1HG PRO 2 2HG PRO 2 -4.375 2.049 -0.367 15 2HG PRO 2 1HG PRO 2 -4.787 3.361 -1.485 16 1HD PRO 2 2HD PRO 2 -3.836 3.809 1.015 17 2HD PRO 2 1HD PRO 2 -4.961 4.915 0.204 18 H LEU 3 H LEU 3 -8.598 0.990 1.869 19 HA LEU 3 HA LEU 3 -6.750 -0.832 3.173 20 1HB LEU 3 2HB LEU 3 -8.753 -1.873 4.121 21 2HB LEU 3 1HB LEU 3 -8.686 -0.150 4.434 22 HG LEU 3 HG LEU 3 -10.318 0.232 2.633 23 1HD1 LEU 3 1HD1 LEU 3 -10.184 -1.435 1.079 24 2HD1 LEU 3 2HD1 LEU 3 -11.589 -1.978 1.997 25 3HD1 LEU 3 3HD1 LEU 3 -10.009 -2.704 2.291 26 1HD2 LEU 3 1HD2 LEU 3 -10.802 -0.547 5.155 27 2HD2 LEU 3 2HD2 LEU 3 -11.666 -1.811 4.279 28 3HD2 LEU 3 3HD2 LEU 3 -12.072 -0.115 4.011 29 H LYS 4 H LYS 4 -7.775 -0.553 0.109 30 HA LYS 4 HA LYS 4 -8.356 -3.365 -0.357 31 1HB LYS 4 2HB LYS 4 -9.659 -1.695 -1.577 32 2HB LYS 4 1HB LYS 4 -8.186 -1.033 -2.273 33 1HG LYS 4 2HG LYS 4 -7.790 -3.139 -3.445 34 2HG LYS 4 1HG LYS 4 -9.265 -3.806 -2.743 35 1HD LYS 4 2HD LYS 4 -10.580 -2.072 -3.866 36 2HD LYS 4 1HD LYS 4 -9.103 -1.405 -4.565 37 1HE LYS 4 2HE LYS 4 -8.715 -3.512 -5.747 38 2HE LYS 4 1HE LYS 4 -10.188 -4.178 -5.045 39 1HZ LYS 4 1HZ LYS 4 -10.461 -3.334 -7.338 40 2HZ LYS 4 2HZ LYS 4 -10.114 -1.774 -6.784 41 3HZ LYS 4 3HZ LYS 4 -11.490 -2.581 -6.226 42 H GLN 5 H GLN 5 -5.666 -1.280 -0.309 43 HA GLN 5 HA GLN 5 -3.991 -3.404 -1.404 44 1HB GLN 5 2HB GLN 5 -4.399 -1.903 -3.291 45 2HB GLN 5 1HB GLN 5 -3.869 -0.528 -2.332 46 1HG GLN 5 2HG GLN 5 -1.629 -1.484 -2.195 47 2HG GLN 5 1HG GLN 5 -2.159 -2.866 -3.154 48 1HE2 GLN 5 1HE2 GLN 5 -0.530 -0.060 -3.309 49 2HE2 GLN 5 2HE2 GLN 5 -0.759 0.338 -4.974 50 H TYR 6 H TYR 6 -2.812 -3.875 0.347 51 HA TYR 6 HA TYR 6 -1.932 -1.790 2.160 52 1HB TYR 6 2HB TYR 6 -1.467 -4.778 2.216 53 2HB TYR 6 1HB TYR 6 -0.999 -3.658 3.488 54 HD1 TYR 6 1HD TYR 6 -2.457 -5.679 4.556 55 HD2 TYR 6 2HD TYR 6 -4.021 -2.413 2.316 56 HE1 TYR 6 1HE TYR 6 -4.639 -5.981 5.645 57 HE2 TYR 6 2HE TYR 6 -6.201 -2.712 3.400 58 HH TYR 6 HH TYR 6 -6.855 -3.920 5.930 59 H TRP 7 H TRP 7 -0.843 -2.513 -0.727 60 HA TRP 7 HA TRP 7 1.154 -2.601 -1.826 61 1HB TRP 7 2HB TRP 7 2.715 -0.814 -1.173 62 2HB TRP 7 1HB TRP 7 1.050 -0.251 -1.184 63 HD1 TRP 7 HD TRP 7 3.395 -1.761 1.537 64 HE1 TRP 7 1HE TRP 7 3.103 -0.364 3.680 65 HE3 TRP 7 3HE TRP 7 -0.095 1.581 -0.137 66 HZ2 TRP 7 2HZ TRP 7 1.594 1.858 4.546 67 HZ3 TRP 7 3HZ TRP 7 -0.911 3.310 1.412 68 HH2 TRP 7 HH TRP 7 -0.083 3.444 3.705 69 H TRP 8 H TRP 8 3.774 -2.395 -1.151 70 HA TRP 8 HA TRP 8 4.314 -4.349 0.947 71 1HB TRP 8 2HB TRP 8 3.984 -5.670 -1.100 72 2HB TRP 8 1HB TRP 8 5.187 -4.701 -1.930 73 HD1 TRP 8 HD TRP 8 6.059 -7.408 -2.239 74 HE1 TRP 8 1HE TRP 8 7.863 -8.613 -0.863 75 HE3 TRP 8 3HE TRP 8 5.993 -4.490 1.986 76 HZ2 TRP 8 2HZ TRP 8 9.078 -8.387 1.662 77 HZ3 TRP 8 3HZ TRP 8 7.501 -5.073 3.829 78 HH2 TRP 8 HH TRP 8 9.009 -6.985 3.674 79 H ARG 9 H ARG 9 6.626 -3.667 -1.559 80 HA ARG 9 HA ARG 9 8.531 -2.649 0.233 81 1HB ARG 9 2HB ARG 9 8.429 -2.401 -2.778 82 2HB ARG 9 1HB ARG 9 9.838 -2.077 -1.780 83 1HG ARG 9 2HG ARG 9 8.447 -4.733 -2.062 84 2HG ARG 9 1HG ARG 9 9.971 -4.270 -2.820 85 1HD ARG 9 2HD ARG 9 10.979 -3.980 -0.608 86 2HD ARG 9 1HD ARG 9 9.455 -4.441 0.148 87 HE ARG 9 HE ARG 9 10.228 -6.485 -1.597 88 1HH1 ARG 9 1HH1 ARG 9 11.277 -5.021 1.392 89 2HH1 ARG 9 2HH1 ARG 9 12.010 -6.471 1.991 90 1HH2 ARG 9 1HH2 ARG 9 11.191 -8.394 -0.811 91 2HH2 ARG 9 2HH2 ARG 9 11.961 -8.387 0.740 92 HA PRO 10 HA PRO 10 7.465 1.719 -1.493 93 1HB PRO 10 2HB PRO 10 5.158 2.059 -2.850 94 2HB PRO 10 1HB PRO 10 6.658 1.569 -3.648 95 1HG PRO 10 2HG PRO 10 4.336 -0.111 -2.783 96 2HG PRO 10 1HG PRO 10 5.259 -0.174 -4.296 97 1HD PRO 10 2HD PRO 10 5.673 -1.893 -2.232 98 2HD PRO 10 1HD PRO 10 6.955 -1.403 -3.355 99 H SER 11 H SER 11 7.148 1.788 0.817 100 HA SER 11 HA SER 11 4.435 1.653 1.829 101 1HB SER 11 2HB SER 11 7.030 2.345 3.225 102 2HB SER 11 1HB SER 11 5.474 2.123 4.022 103 HG SER 11 HG SER 11 7.150 0.274 3.710 104 H ILE 12 H ILE 12 6.555 4.027 0.581 105 HA ILE 12 HA ILE 12 6.355 6.271 0.274 106 HB ILE 12 HB ILE 12 3.509 5.823 1.193 107 1HG1 ILE 12 2HG1 ILE 12 4.078 4.544 -0.816 108 2HG1 ILE 12 1HG1 ILE 12 2.979 5.862 -1.212 109 1HG2 ILE 12 1HG2 ILE 12 4.191 8.162 1.423 110 2HG2 ILE 12 2HG2 ILE 12 3.010 7.960 0.128 111 3HG2 ILE 12 3HG2 ILE 12 4.717 8.174 -0.262 112 1HD1 ILE 12 1HD1 ILE 12 5.505 5.265 -2.333 113 2HD1 ILE 12 2HD1 ILE 12 5.627 6.818 -1.507 114 3HD1 ILE 12 3HD1 ILE 12 4.396 6.573 -2.745 Start of MODEL 14 1 1H HIS 1 1HT HIS 1 -4.356 3.402 8.009 2 2H HIS 1 2HT HIS 1 -5.410 4.458 7.160 3 3H HIS 1 3HT HIS 1 -3.962 5.063 7.855 4 HA HIS 1 HA HIS 1 -3.478 4.891 5.647 5 1HB HIS 1 2HB HIS 1 -2.599 2.331 7.003 6 2HB HIS 1 1HB HIS 1 -1.848 3.031 5.573 7 HD1 HIS 1 1HD HIS 1 -1.171 5.765 6.150 8 HD2 HIS 1 2HD HIS 1 -1.151 2.930 9.189 9 HE1 HIS 1 1HE HIS 1 0.301 6.719 7.951 10 HE2 HIS 1 2HE HIS 1 0.230 5.026 9.815 11 HA PRO 2 HA PRO 2 -6.053 2.485 2.992 12 1HB PRO 2 2HB PRO 2 -4.448 2.105 0.839 13 2HB PRO 2 1HB PRO 2 -5.173 3.669 1.229 14 1HG PRO 2 2HG PRO 2 -2.402 2.676 1.776 15 2HG PRO 2 1HG PRO 2 -2.924 4.263 1.183 16 1HD PRO 2 2HD PRO 2 -2.256 3.818 3.771 17 2HD PRO 2 1HD PRO 2 -3.483 5.007 3.292 18 H LEU 3 H LEU 3 -6.416 0.512 3.918 19 HA LEU 3 HA LEU 3 -4.363 -1.551 3.638 20 1HB LEU 3 2HB LEU 3 -5.697 -2.842 5.241 21 2HB LEU 3 1HB LEU 3 -5.211 -1.281 5.870 22 HG LEU 3 HG LEU 3 -7.471 -0.410 5.431 23 1HD1 LEU 3 1HD1 LEU 3 -8.370 -1.617 3.674 24 2HD1 LEU 3 2HD1 LEU 3 -9.247 -2.245 5.068 25 3HD1 LEU 3 3HD1 LEU 3 -7.916 -3.170 4.375 26 1HD2 LEU 3 1HD2 LEU 3 -7.703 -2.931 7.038 27 2HD2 LEU 3 2HD2 LEU 3 -8.476 -1.370 7.313 28 3HD2 LEU 3 3HD2 LEU 3 -6.745 -1.557 7.587 29 H LYS 4 H LYS 4 -6.353 -0.487 1.544 30 HA LYS 4 HA LYS 4 -7.634 -3.041 0.865 31 1HB LYS 4 2HB LYS 4 -9.145 -1.124 0.996 32 2HB LYS 4 1HB LYS 4 -8.167 -0.253 -0.175 33 1HG LYS 4 2HG LYS 4 -8.711 -1.923 -1.875 34 2HG LYS 4 1HG LYS 4 -9.695 -2.796 -0.697 35 1HD LYS 4 2HD LYS 4 -11.149 -0.840 -0.462 36 2HD LYS 4 1HD LYS 4 -10.164 0.033 -1.638 37 1HE LYS 4 2HE LYS 4 -10.727 -1.632 -3.342 38 2HE LYS 4 1HE LYS 4 -11.709 -2.503 -2.166 39 1HZ LYS 4 1HZ LYS 4 -12.815 -0.121 -1.975 40 2HZ LYS 4 2HZ LYS 4 -13.319 -1.258 -3.122 41 3HZ LYS 4 3HZ LYS 4 -12.269 -0.011 -3.573 42 H GLN 5 H GLN 5 -5.061 -0.981 -0.002 43 HA GLN 5 HA GLN 5 -4.901 -1.984 -2.729 44 1HB GLN 5 2HB GLN 5 -4.424 0.380 -2.345 45 2HB GLN 5 1HB GLN 5 -3.138 -0.045 -1.225 46 1HG GLN 5 2HG GLN 5 -1.899 -1.098 -3.046 47 2HG GLN 5 1HG GLN 5 -3.190 -0.672 -4.169 48 1HE2 GLN 5 1HE2 GLN 5 -0.222 0.188 -3.165 49 2HE2 GLN 5 2HE2 GLN 5 -0.246 1.874 -3.540 50 H TYR 6 H TYR 6 -3.626 -2.676 0.376 51 HA TYR 6 HA TYR 6 -2.130 -4.211 1.138 52 1HB TYR 6 2HB TYR 6 -2.458 -5.370 -1.638 53 2HB TYR 6 1HB TYR 6 -1.705 -6.192 -0.280 54 HD1 TYR 6 1HD TYR 6 -3.621 -7.791 -1.339 55 HD2 TYR 6 2HD TYR 6 -4.316 -4.391 1.128 56 HE1 TYR 6 1HE TYR 6 -5.804 -8.714 -0.687 57 HE2 TYR 6 2HE TYR 6 -6.500 -5.306 1.781 58 HH TYR 6 HH TYR 6 -7.419 -8.057 1.780 59 H TRP 7 H TRP 7 -0.612 -2.385 1.144 60 HA TRP 7 HA TRP 7 1.259 -2.057 -0.986 61 1HB TRP 7 2HB TRP 7 2.463 -0.597 0.595 62 2HB TRP 7 1HB TRP 7 0.745 -0.216 0.539 63 HD1 TRP 7 HD TRP 7 2.929 -2.584 2.729 64 HE1 TRP 7 1HE TRP 7 2.184 -2.294 5.175 65 HE3 TRP 7 3HE TRP 7 -0.761 0.889 2.049 66 HZ2 TRP 7 2HZ TRP 7 0.285 -0.793 6.624 67 HZ3 TRP 7 3HZ TRP 7 -1.995 1.699 4.017 68 HH2 TRP 7 HH TRP 7 -1.482 0.873 6.257 69 H TRP 8 H TRP 8 3.724 -2.006 -0.060 70 HA TRP 8 HA TRP 8 4.411 -4.337 1.484 71 1HB TRP 8 2HB TRP 8 3.938 -5.327 -0.731 72 2HB TRP 8 1HB TRP 8 5.100 -4.234 -1.464 73 HD1 TRP 8 HD TRP 8 5.966 -6.846 -2.239 74 HE1 TRP 8 1HE TRP 8 7.809 -8.260 -1.140 75 HE3 TRP 8 3HE TRP 8 6.076 -4.634 2.392 76 HZ2 TRP 8 2HZ TRP 8 9.111 -8.443 1.344 77 HZ3 TRP 8 3HZ TRP 8 7.638 -5.511 4.067 78 HH2 TRP 8 HH TRP 8 9.122 -7.378 3.556 79 H ARG 9 H ARG 9 6.518 -3.230 -1.054 80 HA ARG 9 HA ARG 9 8.243 -1.975 0.927 81 1HB ARG 9 2HB ARG 9 8.768 -2.665 -1.968 82 2HB ARG 9 1HB ARG 9 9.941 -1.945 -0.878 83 1HG ARG 9 2HG ARG 9 8.658 -4.647 -0.542 84 2HG ARG 9 1HG ARG 9 10.295 -4.340 -1.129 85 1HD ARG 9 2HD ARG 9 10.852 -3.273 1.006 86 2HD ARG 9 1HD ARG 9 9.221 -3.595 1.592 87 HE ARG 9 HE ARG 9 10.361 -6.019 0.791 88 1HH1 ARG 9 1HH1 ARG 9 10.792 -3.576 3.248 89 2HH1 ARG 9 2HH1 ARG 9 11.432 -4.684 4.415 90 1HH2 ARG 9 1HH2 ARG 9 11.203 -7.478 2.327 91 2HH2 ARG 9 2HH2 ARG 9 11.665 -6.898 3.892 92 HA PRO 10 HA PRO 10 7.568 1.682 -2.043 93 1HB PRO 10 2HB PRO 10 5.966 1.494 -4.164 94 2HB PRO 10 1HB PRO 10 7.598 0.815 -4.198 95 1HG PRO 10 2HG PRO 10 4.976 -0.567 -3.832 96 2HG PRO 10 1HG PRO 10 6.399 -1.087 -4.749 97 1HD PRO 10 2HD PRO 10 5.735 -1.937 -2.187 98 2HD PRO 10 1HD PRO 10 7.342 -2.059 -2.924 99 H SER 11 H SER 11 6.451 2.403 -0.148 100 HA SER 11 HA SER 11 3.588 2.171 0.021 101 1HB SER 11 2HB SER 11 5.527 3.845 1.637 102 2HB SER 11 1HB SER 11 3.822 3.608 2.020 103 HG SER 11 HG SER 11 5.621 1.445 1.731 104 H ILE 12 H ILE 12 3.476 3.133 -2.256 105 HA ILE 12 HA ILE 12 3.320 6.073 -2.084 106 HB ILE 12 HB ILE 12 3.697 4.350 -4.540 107 1HG1 ILE 12 2HG1 ILE 12 5.719 4.517 -3.170 108 2HG1 ILE 12 1HG1 ILE 12 5.909 5.429 -4.664 109 1HG2 ILE 12 1HG2 ILE 12 4.222 6.850 -5.377 110 2HG2 ILE 12 2HG2 ILE 12 2.975 7.188 -4.176 111 3HG2 ILE 12 3HG2 ILE 12 2.637 6.090 -5.516 112 1HD1 ILE 12 1HD1 ILE 12 6.175 6.311 -1.971 113 2HD1 ILE 12 2HD1 ILE 12 4.874 7.212 -2.750 114 3HD1 ILE 12 3HD1 ILE 12 6.485 7.191 -3.467 Start of MODEL 15 1 1H HIS 1 1HT HIS 1 -4.729 7.088 -2.200 2 2H HIS 1 2HT HIS 1 -6.089 6.043 -2.149 3 3H HIS 1 3HT HIS 1 -4.609 5.497 -2.825 4 HA HIS 1 HA HIS 1 -3.587 5.878 -0.623 5 1HB HIS 1 2HB HIS 1 -6.513 6.056 0.133 6 2HB HIS 1 1HB HIS 1 -5.177 5.943 1.272 7 HD1 HIS 1 1HD HIS 1 -3.288 8.020 0.668 8 HD2 HIS 1 2HD HIS 1 -7.332 8.610 -0.081 9 HE1 HIS 1 1HE HIS 1 -3.596 10.513 0.567 10 HE2 HIS 1 2HE HIS 1 -6.032 10.843 0.015 11 HA PRO 2 HA PRO 2 -4.008 1.475 -0.614 12 1HB PRO 2 2HB PRO 2 -2.715 0.850 1.662 13 2HB PRO 2 1HB PRO 2 -1.865 1.494 0.251 14 1HG PRO 2 2HG PRO 2 -2.770 2.915 2.730 15 2HG PRO 2 1HG PRO 2 -1.226 3.045 1.867 16 1HD PRO 2 2HD PRO 2 -3.250 4.848 1.587 17 2HD PRO 2 1HD PRO 2 -2.080 4.492 0.301 18 H LEU 3 H LEU 3 -6.226 1.124 -0.373 19 HA LEU 3 HA LEU 3 -7.151 0.807 2.398 20 1HB LEU 3 2HB LEU 3 -9.427 1.212 1.588 21 2HB LEU 3 1HB LEU 3 -8.362 2.576 1.316 22 HG LEU 3 HG LEU 3 -8.160 1.931 -1.052 23 1HD1 LEU 3 1HD1 LEU 3 -8.529 -0.266 -1.413 24 2HD1 LEU 3 2HD1 LEU 3 -10.171 0.301 -1.704 25 3HD1 LEU 3 3HD1 LEU 3 -9.742 -0.388 -0.139 26 1HD2 LEU 3 1HD2 LEU 3 -9.742 3.568 -0.813 27 2HD2 LEU 3 2HD2 LEU 3 -10.790 2.564 0.189 28 3HD2 LEU 3 3HD2 LEU 3 -10.707 2.289 -1.551 29 H LYS 4 H LYS 4 -6.542 -0.796 -0.547 30 HA LYS 4 HA LYS 4 -7.725 -3.234 0.568 31 1HB LYS 4 2HB LYS 4 -9.311 -2.394 -1.081 32 2HB LYS 4 1HB LYS 4 -8.037 -2.310 -2.290 33 1HG LYS 4 2HG LYS 4 -7.788 -4.739 -2.201 34 2HG LYS 4 1HG LYS 4 -9.065 -4.823 -0.985 35 1HD LYS 4 2HD LYS 4 -10.649 -3.865 -2.587 36 2HD LYS 4 1HD LYS 4 -9.370 -3.780 -3.801 37 1HE LYS 4 2HE LYS 4 -9.134 -6.215 -3.717 38 2HE LYS 4 1HE LYS 4 -10.410 -6.298 -2.504 39 1HZ LYS 4 1HZ LYS 4 -11.078 -4.916 -4.973 40 2HZ LYS 4 2HZ LYS 4 -12.009 -5.971 -4.036 41 3HZ LYS 4 3HZ LYS 4 -10.849 -6.588 -5.101 42 H GLN 5 H GLN 5 -5.101 -1.704 -0.976 43 HA GLN 5 HA GLN 5 -3.928 -4.264 -1.769 44 1HB GLN 5 2HB GLN 5 -3.894 -2.513 -3.471 45 2HB GLN 5 1HB GLN 5 -3.040 -1.441 -2.370 46 1HG GLN 5 2HG GLN 5 -1.129 -2.961 -2.368 47 2HG GLN 5 1HG GLN 5 -1.986 -4.038 -3.469 48 1HE2 GLN 5 1HE2 GLN 5 0.326 -1.761 -3.330 49 2HE2 GLN 5 2HE2 GLN 5 0.238 -1.134 -4.938 50 H TYR 6 H TYR 6 -3.567 -1.624 0.445 51 HA TYR 6 HA TYR 6 -2.190 -1.254 2.224 52 1HB TYR 6 2HB TYR 6 -1.951 -4.269 2.138 53 2HB TYR 6 1HB TYR 6 -1.472 -3.253 3.491 54 HD1 TYR 6 1HD TYR 6 -3.127 -5.208 4.381 55 HD2 TYR 6 2HD TYR 6 -4.326 -1.733 2.235 56 HE1 TYR 6 1HE TYR 6 -5.386 -5.404 5.331 57 HE2 TYR 6 2HE TYR 6 -6.586 -1.923 3.178 58 HH TYR 6 HH TYR 6 -7.654 -4.705 4.850 59 H TRP 7 H TRP 7 -1.029 -1.149 -0.410 60 HA TRP 7 HA TRP 7 0.959 -1.171 -1.537 61 1HB TRP 7 2HB TRP 7 2.810 -0.149 -0.278 62 2HB TRP 7 1HB TRP 7 1.288 0.680 0.016 63 HD1 TRP 7 HD TRP 7 3.174 -2.241 1.775 64 HE1 TRP 7 1HE TRP 7 3.072 -1.817 4.312 65 HE3 TRP 7 3HE TRP 7 0.491 2.109 1.764 66 HZ2 TRP 7 2HZ TRP 7 1.996 0.107 6.075 67 HZ3 TRP 7 3HZ TRP 7 -0.033 3.178 3.918 68 HH2 TRP 7 HH TRP 7 0.705 2.197 6.028 69 H TRP 8 H TRP 8 3.550 -1.764 -0.905 70 HA TRP 8 HA TRP 8 3.658 -4.429 0.240 71 1HB TRP 8 2HB TRP 8 2.993 -4.835 -2.094 72 2HB TRP 8 1HB TRP 8 4.370 -3.903 -2.655 73 HD1 TRP 8 HD TRP 8 4.600 -6.441 -3.957 74 HE1 TRP 8 1HE TRP 8 6.107 -8.401 -3.259 75 HE3 TRP 8 3HE TRP 8 5.275 -5.269 0.996 76 HZ2 TRP 8 2HZ TRP 8 7.386 -9.343 -0.941 77 HZ3 TRP 8 3HZ TRP 8 6.644 -6.767 2.373 78 HH2 TRP 8 HH TRP 8 7.675 -8.766 1.427 79 H ARG 9 H ARG 9 5.999 -3.352 -2.102 80 HA ARG 9 HA ARG 9 8.078 -3.353 -0.159 81 1HB ARG 9 2HB ARG 9 8.113 -2.427 -3.035 82 2HB ARG 9 1HB ARG 9 9.534 -2.658 -2.028 83 1HG ARG 9 2HG ARG 9 7.589 -4.802 -2.856 84 2HG ARG 9 1HG ARG 9 9.196 -4.537 -3.533 85 1HD ARG 9 2HD ARG 9 10.189 -4.977 -1.338 86 2HD ARG 9 1HD ARG 9 8.581 -5.242 -0.664 87 HE ARG 9 HE ARG 9 8.921 -6.969 -2.839 88 1HH1 ARG 9 1HH1 ARG 9 10.194 -6.476 0.373 89 2HH1 ARG 9 2HH1 ARG 9 10.571 -8.148 0.616 90 1HH2 ARG 9 1HH2 ARG 9 9.417 -9.168 -2.522 91 2HH2 ARG 9 2HH2 ARG 9 10.132 -9.677 -1.028 92 HA PRO 10 HA PRO 10 8.065 1.407 -0.804 93 1HB PRO 10 2HB PRO 10 5.998 2.575 -2.063 94 2HB PRO 10 1HB PRO 10 7.370 1.902 -2.952 95 1HG PRO 10 2HG PRO 10 4.663 0.720 -2.468 96 2HG PRO 10 1HG PRO 10 5.623 0.742 -3.957 97 1HD PRO 10 2HD PRO 10 5.485 -1.410 -2.282 98 2HD PRO 10 1HD PRO 10 6.884 -1.060 -3.314 99 H SER 11 H SER 11 7.598 0.918 1.467 100 HA SER 11 HA SER 11 4.863 1.592 2.301 101 1HB SER 11 2HB SER 11 7.118 0.317 3.870 102 2HB SER 11 1HB SER 11 5.501 0.640 4.493 103 HG SER 11 HG SER 11 5.418 -1.428 3.811 104 H ILE 12 H ILE 12 4.426 3.336 3.563 105 HA ILE 12 HA ILE 12 6.213 5.516 3.544 106 HB ILE 12 HB ILE 12 3.726 5.110 5.214 107 1HG1 ILE 12 2HG1 ILE 12 3.294 4.977 2.809 108 2HG1 ILE 12 1HG1 ILE 12 2.626 6.464 3.476 109 1HG2 ILE 12 1HG2 ILE 12 3.901 7.773 4.901 110 2HG2 ILE 12 2HG2 ILE 12 5.616 7.360 4.954 111 3HG2 ILE 12 3HG2 ILE 12 4.559 6.913 6.293 112 1HD1 ILE 12 1HD1 ILE 12 4.747 6.065 1.496 113 2HD1 ILE 12 2HD1 ILE 12 5.072 7.311 2.702 114 3HD1 ILE 12 3HD1 ILE 12 3.618 7.403 1.706 Start of MODEL 16 1 1H HIS 1 1HT HIS 1 -4.729 6.538 4.506 2 2H HIS 1 2HT HIS 1 -3.367 7.132 5.365 3 3H HIS 1 3HT HIS 1 -4.650 6.366 6.209 4 HA HIS 1 HA HIS 1 -2.627 5.198 4.446 5 1HB HIS 1 2HB HIS 1 -3.638 4.579 7.232 6 2HB HIS 1 1HB HIS 1 -2.352 3.710 6.402 7 HD1 HIS 1 1HD HIS 1 -0.388 5.613 5.523 8 HD2 HIS 1 2HD HIS 1 -2.587 6.340 8.973 9 HE1 HIS 1 1HE HIS 1 0.959 7.280 6.839 10 HE2 HIS 1 2HE HIS 1 -0.430 7.766 8.885 11 HA PRO 2 HA PRO 2 -6.373 3.151 2.720 12 1HB PRO 2 2HB PRO 2 -4.095 1.892 1.252 13 2HB PRO 2 1HB PRO 2 -5.647 2.472 0.635 14 1HG PRO 2 2HG PRO 2 -3.430 3.901 0.281 15 2HG PRO 2 1HG PRO 2 -4.974 4.691 0.648 16 1HD PRO 2 2HD PRO 2 -2.609 4.247 2.400 17 2HD PRO 2 1HD PRO 2 -3.783 5.578 2.399 18 H LEU 3 H LEU 3 -7.051 0.929 2.693 19 HA LEU 3 HA LEU 3 -5.363 -0.906 4.233 20 1HB LEU 3 2HB LEU 3 -7.299 -1.622 5.551 21 2HB LEU 3 1HB LEU 3 -6.892 0.060 5.818 22 HG LEU 3 HG LEU 3 -8.747 0.735 4.349 23 1HD1 LEU 3 1HD1 LEU 3 -10.475 -1.162 3.951 24 2HD1 LEU 3 2HD1 LEU 3 -9.065 -2.217 4.052 25 3HD1 LEU 3 3HD1 LEU 3 -9.133 -0.950 2.827 26 1HD2 LEU 3 1HD2 LEU 3 -9.125 -0.834 6.828 27 2HD2 LEU 3 2HD2 LEU 3 -10.571 -0.423 5.905 28 3HD2 LEU 3 3HD2 LEU 3 -9.501 0.855 6.482 29 H LYS 4 H LYS 4 -6.638 -0.490 1.361 30 HA LYS 4 HA LYS 4 -7.326 -3.333 1.052 31 1HB LYS 4 2HB LYS 4 -9.360 -1.997 0.869 32 2HB LYS 4 1HB LYS 4 -8.609 -0.993 -0.363 33 1HG LYS 4 2HG LYS 4 -8.470 -2.918 -1.858 34 2HG LYS 4 1HG LYS 4 -9.215 -3.931 -0.621 35 1HD LYS 4 2HD LYS 4 -11.227 -2.537 -0.694 36 2HD LYS 4 1HD LYS 4 -10.479 -1.523 -1.930 37 1HE LYS 4 2HE LYS 4 -10.350 -3.451 -3.431 38 2HE LYS 4 1HE LYS 4 -11.093 -4.466 -2.195 39 1HZ LYS 4 1HZ LYS 4 -12.422 -2.054 -3.284 40 2HZ LYS 4 2HZ LYS 4 -13.113 -3.305 -2.381 41 3HZ LYS 4 3HZ LYS 4 -12.615 -3.588 -3.973 42 H GLN 5 H GLN 5 -5.349 -0.751 0.076 43 HA GLN 5 HA GLN 5 -4.842 -1.545 -2.599 44 1HB GLN 5 2HB GLN 5 -4.360 0.720 -1.823 45 2HB GLN 5 1HB GLN 5 -3.161 0.094 -0.701 46 1HG GLN 5 2HG GLN 5 -1.814 -0.697 -2.576 47 2HG GLN 5 1HG GLN 5 -3.017 -0.072 -3.703 48 1HE2 GLN 5 1HE2 GLN 5 -0.114 0.550 -2.380 49 2HE2 GLN 5 2HE2 GLN 5 -0.090 2.274 -2.490 50 H TYR 6 H TYR 6 -3.544 -2.464 0.485 51 HA TYR 6 HA TYR 6 -2.012 -4.024 1.133 52 1HB TYR 6 2HB TYR 6 -2.785 -5.268 -1.514 53 2HB TYR 6 1HB TYR 6 -1.917 -6.090 -0.226 54 HD1 TYR 6 1HD TYR 6 -4.070 -7.572 -0.954 55 HD2 TYR 6 2HD TYR 6 -4.178 -4.045 1.427 56 HE1 TYR 6 1HE TYR 6 -6.204 -8.301 0.024 57 HE2 TYR 6 2HE TYR 6 -6.312 -4.766 2.406 58 HH TYR 6 HH TYR 6 -8.150 -6.219 1.953 59 H TRP 7 H TRP 7 -0.297 -2.445 0.933 60 HA TRP 7 HA TRP 7 1.418 -2.806 -1.426 61 1HB TRP 7 2HB TRP 7 2.542 -0.736 -0.701 62 2HB TRP 7 1HB TRP 7 0.815 -0.489 -0.940 63 HD1 TRP 7 HD TRP 7 3.024 -1.475 2.112 64 HE1 TRP 7 1HE TRP 7 2.216 -0.107 4.137 65 HE3 TRP 7 3HE TRP 7 -0.763 1.131 -0.126 66 HZ2 TRP 7 2HZ TRP 7 0.235 1.820 4.710 67 HZ3 TRP 7 3HZ TRP 7 -2.066 2.716 1.231 68 HH2 TRP 7 HH TRP 7 -1.576 3.052 3.600 69 H TRP 8 H TRP 8 3.777 -2.874 -1.038 70 HA TRP 8 HA TRP 8 4.381 -4.399 1.411 71 1HB TRP 8 2HB TRP 8 4.575 -5.688 -0.687 72 2HB TRP 8 1HB TRP 8 5.725 -4.512 -1.300 73 HD1 TRP 8 HD TRP 8 7.081 -7.021 -1.485 74 HE1 TRP 8 1HE TRP 8 8.778 -7.996 0.179 75 HE3 TRP 8 3HE TRP 8 5.806 -4.325 2.693 76 HZ2 TRP 8 2HZ TRP 8 9.466 -7.699 2.888 77 HZ3 TRP 8 3HZ TRP 8 7.027 -4.758 4.776 78 HH2 TRP 8 HH TRP 8 8.817 -6.411 4.873 79 H ARG 9 H ARG 9 6.889 -3.286 -0.720 80 HA ARG 9 HA ARG 9 7.951 -1.593 1.387 81 1HB ARG 9 2HB ARG 9 9.143 -2.397 -1.271 82 2HB ARG 9 1HB ARG 9 9.961 -1.437 -0.051 83 1HG ARG 9 2HG ARG 9 9.017 -4.276 0.286 84 2HG ARG 9 1HG ARG 9 10.681 -3.761 -0.002 85 1HD ARG 9 2HD ARG 9 10.643 -2.494 2.097 86 2HD ARG 9 1HD ARG 9 8.987 -3.025 2.384 87 HE ARG 9 HE ARG 9 10.581 -5.291 2.026 88 1HH1 ARG 9 1HH1 ARG 9 10.177 -2.682 4.309 89 2HH1 ARG 9 2HH1 ARG 9 10.715 -3.618 5.663 90 1HH2 ARG 9 1HH2 ARG 9 11.286 -6.522 3.806 91 2HH2 ARG 9 2HH2 ARG 9 11.345 -5.799 5.378 92 HA PRO 10 HA PRO 10 7.421 1.658 -2.066 93 1HB PRO 10 2HB PRO 10 6.225 1.055 -4.374 94 2HB PRO 10 1HB PRO 10 7.915 0.625 -4.082 95 1HG PRO 10 2HG PRO 10 5.472 -1.090 -3.953 96 2HG PRO 10 1HG PRO 10 7.077 -1.471 -4.603 97 1HD PRO 10 2HD PRO 10 6.161 -2.210 -2.096 98 2HD PRO 10 1HD PRO 10 7.867 -2.102 -2.563 99 H SER 11 H SER 11 5.953 2.569 -0.619 100 HA SER 11 HA SER 11 3.154 1.899 -0.714 101 1HB SER 11 2HB SER 11 4.593 4.146 0.717 102 2HB SER 11 1HB SER 11 2.902 3.706 0.952 103 HG SER 11 HG SER 11 3.738 1.575 1.548 104 H ILE 12 H ILE 12 1.498 3.071 -1.603 105 HA ILE 12 HA ILE 12 0.429 4.503 -3.013 106 HB ILE 12 HB ILE 12 2.775 6.320 -2.432 107 1HG1 ILE 12 2HG1 ILE 12 1.516 5.710 -0.424 108 2HG1 ILE 12 1HG1 ILE 12 1.236 7.399 -0.840 109 1HG2 ILE 12 1HG2 ILE 12 1.652 6.980 -4.481 110 2HG2 ILE 12 2HG2 ILE 12 1.307 8.134 -3.193 111 3HG2 ILE 12 3HG2 ILE 12 0.093 6.945 -3.660 112 1HD1 ILE 12 1HD1 ILE 12 -0.843 6.396 -2.095 113 2HD1 ILE 12 2HD1 ILE 12 -0.886 6.732 -0.364 114 3HD1 ILE 12 3HD1 ILE 12 -0.619 5.085 -0.936 Start of MODEL 17 1 1H HIS 1 1HT HIS 1 -3.457 5.197 5.503 2 2H HIS 1 2HT HIS 1 -3.704 3.500 5.403 3 3H HIS 1 3HT HIS 1 -4.408 4.399 6.684 4 HA HIS 1 HA HIS 1 -6.191 4.306 5.432 5 1HB HIS 1 2HB HIS 1 -4.611 6.481 4.043 6 2HB HIS 1 1HB HIS 1 -6.359 6.299 3.975 7 HD1 HIS 1 1HD HIS 1 -7.362 6.148 6.662 8 HD2 HIS 1 2HD HIS 1 -3.947 8.370 5.841 9 HE1 HIS 1 1HE HIS 1 -7.147 7.779 8.564 10 HE2 HIS 1 2HE HIS 1 -5.125 9.172 7.999 11 HA PRO 2 HA PRO 2 -4.916 3.272 0.940 12 1HB PRO 2 2HB PRO 2 -2.336 3.208 0.225 13 2HB PRO 2 1HB PRO 2 -3.238 4.727 0.288 14 1HG PRO 2 2HG PRO 2 -1.301 3.590 2.259 15 2HG PRO 2 1HG PRO 2 -1.483 5.263 1.705 16 1HD PRO 2 2HD PRO 2 -2.499 4.281 4.070 17 2HD PRO 2 1HD PRO 2 -3.132 5.703 3.220 18 H LEU 3 H LEU 3 -5.361 1.454 2.835 19 HA LEU 3 HA LEU 3 -3.394 -0.680 2.385 20 1HB LEU 3 2HB LEU 3 -4.283 -1.742 4.406 21 2HB LEU 3 1HB LEU 3 -3.634 -0.146 4.716 22 HG LEU 3 HG LEU 3 -5.920 0.764 4.773 23 1HD1 LEU 3 1HD1 LEU 3 -6.644 -2.064 4.150 24 2HD1 LEU 3 2HD1 LEU 3 -7.265 -0.568 3.455 25 3HD1 LEU 3 3HD1 LEU 3 -7.742 -1.049 5.083 26 1HD2 LEU 3 1HD2 LEU 3 -5.429 -1.558 6.631 27 2HD2 LEU 3 2HD2 LEU 3 -6.578 -0.249 6.909 28 3HD2 LEU 3 3HD2 LEU 3 -4.849 0.094 6.841 29 H LYS 4 H LYS 4 -5.947 0.278 0.854 30 HA LYS 4 HA LYS 4 -7.660 -2.018 0.932 31 1HB LYS 4 2HB LYS 4 -8.550 0.186 0.362 32 2HB LYS 4 1HB LYS 4 -7.503 0.259 -1.048 33 1HG LYS 4 2HG LYS 4 -8.678 -1.647 -2.024 34 2HG LYS 4 1HG LYS 4 -9.728 -1.722 -0.608 35 1HD LYS 4 2HD LYS 4 -10.545 0.535 -1.096 36 2HD LYS 4 1HD LYS 4 -9.492 0.609 -2.510 37 1HE LYS 4 2HE LYS 4 -10.681 -1.291 -3.492 38 2HE LYS 4 1HE LYS 4 -11.732 -1.366 -2.077 39 1HZ LYS 4 1HZ LYS 4 -12.055 1.173 -2.794 40 2HZ LYS 4 2HZ LYS 4 -13.040 -0.082 -3.358 41 3HZ LYS 4 3HZ LYS 4 -11.765 0.486 -4.313 42 H GLN 5 H GLN 5 -4.751 -1.226 -0.669 43 HA GLN 5 HA GLN 5 -5.141 -3.430 -2.581 44 1HB GLN 5 2HB GLN 5 -4.718 -1.275 -3.655 45 2HB GLN 5 1HB GLN 5 -3.245 -1.078 -2.717 46 1HG GLN 5 2HG GLN 5 -2.271 -3.019 -3.830 47 2HG GLN 5 1HG GLN 5 -3.751 -3.224 -4.766 48 1HE2 GLN 5 1HE2 GLN 5 -0.707 -2.097 -4.917 49 2HE2 GLN 5 2HE2 GLN 5 -0.883 -0.901 -6.151 50 H TYR 6 H TYR 6 -3.701 -2.732 0.319 51 HA TYR 6 HA TYR 6 -2.165 -3.802 1.603 52 1HB TYR 6 2HB TYR 6 -2.156 -5.830 -0.644 53 2HB TYR 6 1HB TYR 6 -1.427 -6.065 0.937 54 HD1 TYR 6 1HD TYR 6 -3.082 -8.145 0.397 55 HD2 TYR 6 2HD TYR 6 -4.310 -4.243 1.573 56 HE1 TYR 6 1HE TYR 6 -5.199 -9.068 1.236 57 HE2 TYR 6 2HE TYR 6 -6.429 -5.158 2.412 58 HH TYR 6 HH TYR 6 -7.441 -8.367 1.748 59 H TRP 7 H TRP 7 -0.615 -2.202 1.475 60 HA TRP 7 HA TRP 7 1.165 -1.862 -0.691 61 1HB TRP 7 2HB TRP 7 2.462 -0.455 0.864 62 2HB TRP 7 1HB TRP 7 0.743 -0.076 0.921 63 HD1 TRP 7 HD TRP 7 3.053 -2.508 2.902 64 HE1 TRP 7 1HE TRP 7 2.454 -2.297 5.396 65 HE3 TRP 7 3HE TRP 7 -0.670 0.978 2.550 66 HZ2 TRP 7 2HZ TRP 7 0.643 -0.845 7.001 67 HZ3 TRP 7 3HZ TRP 7 -1.786 1.723 4.612 68 HH2 TRP 7 HH TRP 7 -1.142 0.830 6.791 69 H TRP 8 H TRP 8 3.678 -1.851 0.027 70 HA TRP 8 HA TRP 8 4.596 -4.042 1.560 71 1HB TRP 8 2HB TRP 8 3.626 -5.333 -0.293 72 2HB TRP 8 1HB TRP 8 4.591 -4.425 -1.442 73 HD1 TRP 8 HD TRP 8 5.195 -7.175 -1.956 74 HE1 TRP 8 1HE TRP 8 7.253 -8.479 -1.143 75 HE3 TRP 8 3HE TRP 8 6.498 -4.272 2.074 76 HZ2 TRP 8 2HZ TRP 8 9.153 -8.326 0.923 77 HZ3 TRP 8 3HZ TRP 8 8.441 -4.940 3.412 78 HH2 TRP 8 HH TRP 8 9.739 -6.929 2.853 79 H ARG 9 H ARG 9 6.156 -3.504 -1.495 80 HA ARG 9 HA ARG 9 8.521 -2.564 -0.311 81 1HB ARG 9 2HB ARG 9 7.627 -2.367 -3.192 82 2HB ARG 9 1HB ARG 9 9.265 -2.098 -2.618 83 1HG ARG 9 2HG ARG 9 7.730 -4.681 -2.432 84 2HG ARG 9 1HG ARG 9 9.015 -4.314 -3.584 85 1HD ARG 9 2HD ARG 9 10.591 -4.034 -1.733 86 2HD ARG 9 1HD ARG 9 9.305 -4.400 -0.582 87 HE ARG 9 HE ARG 9 9.490 -6.516 -2.403 88 1HH1 ARG 9 1HH1 ARG 9 11.360 -5.052 0.154 89 2HH1 ARG 9 2HH1 ARG 9 12.162 -6.525 0.581 90 1HH2 ARG 9 1HH2 ARG 9 10.544 -8.456 -1.843 91 2HH2 ARG 9 2HH2 ARG 9 11.700 -8.457 -0.553 92 HA PRO 10 HA PRO 10 7.261 1.822 -2.061 93 1HB PRO 10 2HB PRO 10 4.530 2.155 -2.274 94 2HB PRO 10 1HB PRO 10 5.616 1.836 -3.629 95 1HG PRO 10 2HG PRO 10 3.880 -0.056 -2.105 96 2HG PRO 10 1HG PRO 10 4.225 0.002 -3.843 97 1HD PRO 10 2HD PRO 10 5.398 -1.792 -2.233 98 2HD PRO 10 1HD PRO 10 6.261 -1.068 -3.602 99 H SER 11 H SER 11 4.207 1.031 -0.525 100 HA SER 11 HA SER 11 3.284 1.612 1.472 101 1HB SER 11 2HB SER 11 6.168 1.600 2.395 102 2HB SER 11 1HB SER 11 4.760 1.624 3.455 103 HG SER 11 HG SER 11 4.147 -0.389 2.396 104 H ILE 12 H ILE 12 3.313 3.372 3.220 105 HA ILE 12 HA ILE 12 3.204 5.580 3.759 106 HB ILE 12 HB ILE 12 5.661 5.792 2.010 107 1HG1 ILE 12 2HG1 ILE 12 5.960 4.265 3.900 108 2HG1 ILE 12 1HG1 ILE 12 6.891 5.739 4.143 109 1HG2 ILE 12 1HG2 ILE 12 5.211 7.994 2.180 110 2HG2 ILE 12 2HG2 ILE 12 5.889 7.803 3.797 111 3HG2 ILE 12 3HG2 ILE 12 4.141 7.777 3.564 112 1HD1 ILE 12 1HD1 ILE 12 4.898 4.564 5.810 113 2HD1 ILE 12 2HD1 ILE 12 4.386 6.181 5.328 114 3HD1 ILE 12 3HD1 ILE 12 5.942 5.951 6.125 Start of MODEL 18 1 1H HIS 1 1HT HIS 1 -7.154 6.810 4.071 2 2H HIS 1 2HT HIS 1 -7.787 5.252 3.726 3 3H HIS 1 3HT HIS 1 -7.252 6.266 2.449 4 HA HIS 1 HA HIS 1 -5.023 6.210 3.509 5 1HB HIS 1 2HB HIS 1 -6.362 3.905 4.948 6 2HB HIS 1 1HB HIS 1 -4.638 4.262 4.986 7 HD1 HIS 1 1HD HIS 1 -4.294 7.000 5.786 8 HD2 HIS 1 2HD HIS 1 -7.543 4.820 7.186 9 HE1 HIS 1 1HE HIS 1 -5.054 8.188 7.869 10 HE2 HIS 1 2HE HIS 1 -6.978 6.812 8.736 11 HA PRO 2 HA PRO 2 -4.563 3.500 0.027 12 1HB PRO 2 2HB PRO 2 -1.888 3.334 -0.076 13 2HB PRO 2 1HB PRO 2 -2.737 4.838 -0.447 14 1HG PRO 2 2HG PRO 2 -1.339 4.025 2.070 15 2HG PRO 2 1HG PRO 2 -1.316 5.587 1.233 16 1HD PRO 2 2HD PRO 2 -2.881 5.044 3.419 17 2HD PRO 2 1HD PRO 2 -3.279 6.266 2.196 18 H LEU 3 H LEU 3 -5.454 1.979 2.040 19 HA LEU 3 HA LEU 3 -3.518 -0.221 2.257 20 1HB LEU 3 2HB LEU 3 -4.735 -0.941 4.259 21 2HB LEU 3 1HB LEU 3 -4.066 0.669 4.421 22 HG LEU 3 HG LEU 3 -6.292 1.630 4.005 23 1HD1 LEU 3 1HD1 LEU 3 -8.226 -0.058 4.301 24 2HD1 LEU 3 2HD1 LEU 3 -7.058 -1.245 3.721 25 3HD1 LEU 3 3HD1 LEU 3 -7.488 0.137 2.711 26 1HD2 LEU 3 1HD2 LEU 3 -7.326 0.865 6.146 27 2HD2 LEU 3 2HD2 LEU 3 -5.633 1.341 6.278 28 3HD2 LEU 3 3HD2 LEU 3 -6.068 -0.367 6.246 29 H LYS 4 H LYS 4 -5.672 0.507 0.178 30 HA LYS 4 HA LYS 4 -7.579 -1.618 0.333 31 1HB LYS 4 2HB LYS 4 -8.100 0.463 -0.840 32 2HB LYS 4 1HB LYS 4 -6.800 0.159 -1.984 33 1HG LYS 4 2HG LYS 4 -7.963 -1.833 -2.783 34 2HG LYS 4 1HG LYS 4 -9.269 -1.531 -1.634 35 1HD LYS 4 2HD LYS 4 -9.725 0.615 -2.725 36 2HD LYS 4 1HD LYS 4 -8.420 0.308 -3.873 37 1HE LYS 4 2HE LYS 4 -9.600 -1.677 -4.680 38 2HE LYS 4 1HE LYS 4 -10.903 -1.371 -3.532 39 1HZ LYS 4 1HZ LYS 4 -10.173 0.155 -5.947 40 2HZ LYS 4 2HZ LYS 4 -11.044 0.894 -4.699 41 3HZ LYS 4 3HZ LYS 4 -11.683 -0.458 -5.491 42 H GLN 5 H GLN 5 -4.352 -1.360 -0.762 43 HA GLN 5 HA GLN 5 -4.579 -3.958 -2.134 44 1HB GLN 5 2HB GLN 5 -3.911 -2.168 -3.660 45 2HB GLN 5 1HB GLN 5 -2.577 -1.740 -2.598 46 1HG GLN 5 2HG GLN 5 -1.548 -3.914 -3.008 47 2HG GLN 5 1HG GLN 5 -2.890 -4.350 -4.066 48 1HE2 GLN 5 1HE2 GLN 5 0.195 -3.326 -4.055 49 2HE2 GLN 5 2HE2 GLN 5 0.250 -2.500 -5.572 50 H TYR 6 H TYR 6 -3.530 -2.504 0.650 51 HA TYR 6 HA TYR 6 -2.310 -3.245 2.415 52 1HB TYR 6 2HB TYR 6 -1.877 -5.725 0.736 53 2HB TYR 6 1HB TYR 6 -1.457 -5.563 2.434 54 HD1 TYR 6 1HD TYR 6 -2.982 -7.781 2.095 55 HD2 TYR 6 2HD TYR 6 -4.407 -3.769 2.094 56 HE1 TYR 6 1HE TYR 6 -5.221 -8.578 2.724 57 HE2 TYR 6 2HE TYR 6 -6.647 -4.559 2.721 58 HH TYR 6 HH TYR 6 -7.499 -6.834 4.026 59 H TRP 7 H TRP 7 -1.129 -2.201 -0.348 60 HA TRP 7 HA TRP 7 0.921 -1.748 -1.260 61 1HB TRP 7 2HB TRP 7 2.400 -0.569 0.319 62 2HB TRP 7 1HB TRP 7 0.720 -0.088 0.512 63 HD1 TRP 7 HD TRP 7 2.974 -2.807 2.160 64 HE1 TRP 7 1HE TRP 7 2.531 -2.751 4.695 65 HE3 TRP 7 3HE TRP 7 -0.531 0.913 2.293 66 HZ2 TRP 7 2HZ TRP 7 0.910 -1.322 6.511 67 HZ3 TRP 7 3HZ TRP 7 -1.479 1.564 4.469 68 HH2 TRP 7 HH TRP 7 -0.773 0.467 6.534 69 H TRP 8 H TRP 8 3.517 -1.916 -0.262 70 HA TRP 8 HA TRP 8 4.176 -4.479 0.739 71 1HB TRP 8 2HB TRP 8 3.381 -5.187 -1.480 72 2HB TRP 8 1HB TRP 8 4.506 -4.078 -2.244 73 HD1 TRP 8 HD TRP 8 5.070 -6.635 -3.397 74 HE1 TRP 8 1HE TRP 8 6.967 -8.237 -2.740 75 HE3 TRP 8 3HE TRP 8 5.986 -4.958 1.369 76 HZ2 TRP 8 2HZ TRP 8 8.610 -8.747 -0.519 77 HZ3 TRP 8 3HZ TRP 8 7.731 -6.076 2.683 78 HH2 TRP 8 HH TRP 8 9.013 -7.934 1.761 79 H ARG 9 H ARG 9 6.048 -3.193 -1.903 80 HA ARG 9 HA ARG 9 8.260 -2.663 -0.187 81 1HB ARG 9 2HB ARG 9 7.874 -2.012 -3.113 82 2HB ARG 9 1HB ARG 9 9.395 -1.894 -2.240 83 1HG ARG 9 2HG ARG 9 7.818 -4.416 -2.705 84 2HG ARG 9 1HG ARG 9 9.283 -3.932 -3.560 85 1HD ARG 9 2HD ARG 9 10.526 -3.986 -1.451 86 2HD ARG 9 1HD ARG 9 9.061 -4.472 -0.600 87 HE ARG 9 HE ARG 9 9.530 -6.300 -2.665 88 1HH1 ARG 9 1HH1 ARG 9 10.948 -5.301 0.364 89 2HH1 ARG 9 2HH1 ARG 9 11.656 -6.848 0.687 90 1HH2 ARG 9 1HH2 ARG 9 10.458 -8.336 -2.240 91 2HH2 ARG 9 2HH2 ARG 9 11.376 -8.572 -0.792 92 HA PRO 10 HA PRO 10 7.298 1.936 -1.150 93 1HB PRO 10 2HB PRO 10 4.988 2.613 -2.333 94 2HB PRO 10 1HB PRO 10 6.390 2.088 -3.273 95 1HG PRO 10 2HG PRO 10 3.961 0.537 -2.466 96 2HG PRO 10 1HG PRO 10 4.804 0.564 -4.026 97 1HD PRO 10 2HD PRO 10 5.140 -1.396 -2.144 98 2HD PRO 10 1HD PRO 10 6.372 -0.953 -3.341 99 H SER 11 H SER 11 7.058 1.498 1.192 100 HA SER 11 HA SER 11 4.433 1.373 2.335 101 1HB SER 11 2HB SER 11 7.107 1.968 3.625 102 2HB SER 11 1HB SER 11 5.608 1.640 4.494 103 HG SER 11 HG SER 11 5.625 -0.408 3.238 104 H ILE 12 H ILE 12 3.088 3.043 2.312 105 HA ILE 12 HA ILE 12 2.244 5.149 2.493 106 HB ILE 12 HB ILE 12 4.787 5.671 4.042 107 1HG1 ILE 12 2HG1 ILE 12 3.417 3.895 5.023 108 2HG1 ILE 12 1HG1 ILE 12 3.363 5.342 6.025 109 1HG2 ILE 12 1HG2 ILE 12 4.110 7.811 3.690 110 2HG2 ILE 12 2HG2 ILE 12 3.069 7.432 5.063 111 3HG2 ILE 12 3HG2 ILE 12 2.427 7.351 3.422 112 1HD1 ILE 12 1HD1 ILE 12 1.211 5.727 4.422 113 2HD1 ILE 12 2HD1 ILE 12 1.160 4.983 6.019 114 3HD1 ILE 12 3HD1 ILE 12 1.226 3.970 4.576 Start of MODEL 19 1 1H HIS 1 1HT HIS 1 -5.182 8.017 -0.804 2 2H HIS 1 2HT HIS 1 -6.615 7.632 0.059 3 3H HIS 1 3HT HIS 1 -6.358 6.990 -1.511 4 HA HIS 1 HA HIS 1 -4.396 5.842 -0.656 5 1HB HIS 1 2HB HIS 1 -5.556 6.786 1.977 6 2HB HIS 1 1HB HIS 1 -4.235 5.635 1.804 7 HD1 HIS 1 1HD HIS 1 -2.214 6.814 0.139 8 HD2 HIS 1 2HD HIS 1 -4.586 9.228 2.549 9 HE1 HIS 1 1HE HIS 1 -0.927 8.957 0.417 10 HE2 HIS 1 2HE HIS 1 -2.424 10.436 1.803 11 HA PRO 2 HA PRO 2 -8.083 3.122 -0.846 12 1HB PRO 2 2HB PRO 2 -6.849 1.177 -2.294 13 2HB PRO 2 1HB PRO 2 -7.579 2.610 -3.026 14 1HG PRO 2 2HG PRO 2 -4.707 2.069 -2.374 15 2HG PRO 2 1HG PRO 2 -5.405 2.806 -3.828 16 1HD PRO 2 2HD PRO 2 -4.285 4.279 -1.862 17 2HD PRO 2 1HD PRO 2 -5.663 4.864 -2.815 18 H LEU 3 H LEU 3 -8.531 1.878 0.847 19 HA LEU 3 HA LEU 3 -6.481 0.792 2.504 20 1HB LEU 3 2HB LEU 3 -8.322 -0.078 3.865 21 2HB LEU 3 1HB LEU 3 -8.504 1.625 3.501 22 HG LEU 3 HG LEU 3 -10.163 1.069 1.769 23 1HD1 LEU 3 1HD1 LEU 3 -9.829 -1.025 0.948 24 2HD1 LEU 3 2HD1 LEU 3 -11.102 -1.374 2.116 25 3HD1 LEU 3 3HD1 LEU 3 -9.419 -1.700 2.525 26 1HD2 LEU 3 1HD2 LEU 3 -10.577 0.215 4.604 27 2HD2 LEU 3 2HD2 LEU 3 -11.886 0.088 3.429 28 3HD2 LEU 3 3HD2 LEU 3 -11.159 1.658 3.773 29 H LYS 4 H LYS 4 -7.924 -0.333 -0.310 30 HA LYS 4 HA LYS 4 -7.851 -3.140 0.355 31 1HB LYS 4 2HB LYS 4 -9.518 -2.310 -1.228 32 2HB LYS 4 1HB LYS 4 -8.242 -1.742 -2.296 33 1HG LYS 4 2HG LYS 4 -7.502 -4.043 -2.642 34 2HG LYS 4 1HG LYS 4 -8.781 -4.614 -1.568 35 1HD LYS 4 2HD LYS 4 -10.464 -3.684 -3.083 36 2HD LYS 4 1HD LYS 4 -9.184 -3.113 -4.155 37 1HE LYS 4 2HE LYS 4 -8.453 -5.421 -4.509 38 2HE LYS 4 1HE LYS 4 -9.731 -5.992 -3.437 39 1HZ LYS 4 1HZ LYS 4 -10.000 -5.838 -6.069 40 2HZ LYS 4 2HZ LYS 4 -10.573 -4.304 -5.649 41 3HZ LYS 4 3HZ LYS 4 -11.303 -5.685 -5.001 42 H GLN 5 H GLN 5 -5.625 -0.806 -0.753 43 HA GLN 5 HA GLN 5 -3.857 -2.821 -1.919 44 1HB GLN 5 2HB GLN 5 -4.159 -0.751 -3.183 45 2HB GLN 5 1HB GLN 5 -3.608 0.189 -1.802 46 1HG GLN 5 2HG GLN 5 -1.407 -0.854 -1.966 47 2HG GLN 5 1HG GLN 5 -1.959 -1.798 -3.349 48 1HE2 GLN 5 1HE2 GLN 5 -0.227 0.818 -2.505 49 2HE2 GLN 5 2HE2 GLN 5 -0.391 1.770 -3.938 50 H TYR 6 H TYR 6 -3.088 -3.935 -0.152 51 HA TYR 6 HA TYR 6 -2.116 -2.660 2.202 52 1HB TYR 6 2HB TYR 6 -1.626 -5.458 1.160 53 2HB TYR 6 1HB TYR 6 -1.232 -4.896 2.779 54 HD1 TYR 6 1HD TYR 6 -2.720 -7.155 2.958 55 HD2 TYR 6 2HD TYR 6 -4.202 -3.282 1.994 56 HE1 TYR 6 1HE TYR 6 -4.956 -7.821 3.731 57 HE2 TYR 6 2HE TYR 6 -6.439 -3.942 2.764 58 HH TYR 6 HH TYR 6 -7.749 -5.925 3.138 59 H TRP 7 H TRP 7 -0.821 -3.012 -0.893 60 HA TRP 7 HA TRP 7 1.261 -2.851 -1.809 61 1HB TRP 7 2HB TRP 7 2.551 -0.918 -1.006 62 2HB TRP 7 1HB TRP 7 0.842 -0.539 -1.156 63 HD1 TRP 7 HD TRP 7 3.094 -1.839 1.746 64 HE1 TRP 7 1HE TRP 7 2.469 -0.522 3.867 65 HE3 TRP 7 3HE TRP 7 -0.577 1.141 -0.199 66 HZ2 TRP 7 2HZ TRP 7 0.660 1.512 4.617 67 HZ3 TRP 7 3HZ TRP 7 -1.705 2.746 1.288 68 HH2 TRP 7 HH TRP 7 -1.098 2.926 3.646 69 H TRP 8 H TRP 8 3.769 -2.376 -0.913 70 HA TRP 8 HA TRP 8 4.414 -4.121 1.295 71 1HB TRP 8 2HB TRP 8 4.094 -5.719 -0.546 72 2HB TRP 8 1HB TRP 8 5.246 -4.831 -1.527 73 HD1 TRP 8 HD TRP 8 6.213 -7.524 -1.487 74 HE1 TRP 8 1HE TRP 8 8.084 -8.470 -0.003 75 HE3 TRP 8 3HE TRP 8 6.114 -4.066 2.308 76 HZ2 TRP 8 2HZ TRP 8 9.335 -7.862 2.440 77 HZ3 TRP 8 3HZ TRP 8 7.675 -4.342 4.177 78 HH2 TRP 8 HH TRP 8 9.249 -6.204 4.247 79 H ARG 9 H ARG 9 6.619 -3.661 -1.367 80 HA ARG 9 HA ARG 9 8.567 -2.423 0.208 81 1HB ARG 9 2HB ARG 9 8.285 -2.379 -2.803 82 2HB ARG 9 1HB ARG 9 9.733 -1.941 -1.910 83 1HG ARG 9 2HG ARG 9 8.436 -4.658 -1.941 84 2HG ARG 9 1HG ARG 9 9.893 -4.189 -2.819 85 1HD ARG 9 2HD ARG 9 11.017 -3.718 -0.698 86 2HD ARG 9 1HD ARG 9 9.560 -4.185 0.179 87 HE ARG 9 HE ARG 9 10.307 -6.311 -1.475 88 1HH1 ARG 9 1HH1 ARG 9 11.485 -4.612 1.336 89 2HH1 ARG 9 2HH1 ARG 9 12.307 -5.993 1.980 90 1HH2 ARG 9 1HH2 ARG 9 11.387 -8.128 -0.630 91 2HH2 ARG 9 2HH2 ARG 9 12.252 -7.990 0.864 92 HA PRO 10 HA PRO 10 7.138 1.765 -1.596 93 1HB PRO 10 2HB PRO 10 4.640 1.523 -2.977 94 2HB PRO 10 1HB PRO 10 6.223 1.895 -3.659 95 1HG PRO 10 2HG PRO 10 4.812 -0.423 -4.151 96 2HG PRO 10 1HG PRO 10 6.566 -0.253 -4.334 97 1HD PRO 10 2HD PRO 10 5.000 -1.429 -2.070 98 2HD PRO 10 1HD PRO 10 6.517 -1.991 -2.800 99 H SER 11 H SER 11 6.588 2.686 0.295 100 HA SER 11 HA SER 11 4.033 2.018 1.541 101 1HB SER 11 2HB SER 11 6.347 3.672 2.574 102 2HB SER 11 1HB SER 11 4.899 3.262 3.493 103 HG SER 11 HG SER 11 6.839 1.465 2.465 104 H ILE 12 H ILE 12 5.548 4.530 -0.251 105 HA ILE 12 HA ILE 12 3.154 6.205 0.115 106 HB ILE 12 HB ILE 12 5.998 7.196 -0.151 107 1HG1 ILE 12 2HG1 ILE 12 5.483 6.364 2.093 108 2HG1 ILE 12 1HG1 ILE 12 5.637 8.118 2.104 109 1HG2 ILE 12 1HG2 ILE 12 3.379 8.512 -0.484 110 2HG2 ILE 12 2HG2 ILE 12 4.951 8.917 -1.173 111 3HG2 ILE 12 3HG2 ILE 12 4.568 9.385 0.484 112 1HD1 ILE 12 1HD1 ILE 12 3.045 6.591 2.067 113 2HD1 ILE 12 2HD1 ILE 12 3.221 8.345 2.128 114 3HD1 ILE 12 3HD1 ILE 12 3.775 7.355 3.477
Contact the webmaster for help, if required. Saturday, June 1, 2024 12:11:22 AM GMT (wattos1)