NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11123 | 1qxq | 5938 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 1HT ILE 1 -12.185 5.429 -1.465 2 2H ILE 1 2HT ILE 1 -13.247 4.318 -2.189 3 3H ILE 1 3HT ILE 1 -13.301 5.960 -2.627 4 HA ILE 1 HA ILE 1 -12.095 4.277 -4.178 5 HB ILE 1 HB ILE 1 -10.475 6.236 -4.614 6 1HG1 ILE 1 2HG1 ILE 1 -12.101 7.470 -2.370 7 2HG1 ILE 1 1HG1 ILE 1 -10.436 6.918 -2.183 8 1HG2 ILE 1 1HG2 ILE 1 -13.433 6.828 -4.284 9 2HG2 ILE 1 2HG2 ILE 1 -12.704 6.024 -5.674 10 3HG2 ILE 1 3HG2 ILE 1 -12.315 7.709 -5.326 11 1HD1 ILE 1 1HD1 ILE 1 -9.893 9.033 -2.814 12 2HD1 ILE 1 2HD1 ILE 1 -11.478 9.326 -3.533 13 3HD1 ILE 1 3HD1 ILE 1 -10.242 8.454 -4.443 14 H LEU 2 H LEU 2 -9.947 3.417 -4.546 15 HA LEU 2 HA LEU 2 -7.857 2.504 -3.909 16 1HB LEU 2 2HB LEU 2 -7.984 5.002 -2.824 17 2HB LEU 2 1HB LEU 2 -7.811 4.026 -1.365 18 HG LEU 2 HG LEU 2 -6.028 3.255 -3.591 19 1HD1 LEU 2 1HD1 LEU 2 -6.259 5.910 -3.416 20 2HD1 LEU 2 2HD1 LEU 2 -4.691 5.139 -3.657 21 3HD1 LEU 2 3HD1 LEU 2 -5.174 5.668 -2.046 22 1HD2 LEU 2 1HD2 LEU 2 -5.667 3.818 -0.630 23 2HD2 LEU 2 2HD2 LEU 2 -4.412 3.172 -1.687 24 3HD2 LEU 2 3HD2 LEU 2 -5.872 2.233 -1.375 25 H LYS 3 H LYS 3 -8.511 0.407 -3.431 26 HA LYS 3 HA LYS 3 -8.521 -0.403 -0.642 27 1HB LYS 3 2HB LYS 3 -10.927 -1.296 -0.830 28 2HB LYS 3 1HB LYS 3 -10.752 0.449 -0.649 29 1HG LYS 3 2HG LYS 3 -11.165 0.839 -2.954 30 2HG LYS 3 1HG LYS 3 -10.913 -0.857 -3.369 31 1HD LYS 3 2HD LYS 3 -13.243 -0.722 -3.376 32 2HD LYS 3 1HD LYS 3 -12.928 -1.264 -1.726 33 1HE LYS 3 2HE LYS 3 -12.889 1.681 -2.110 34 2HE LYS 3 1HE LYS 3 -14.474 0.902 -2.292 35 1HZ LYS 3 1HZ LYS 3 -13.501 1.510 0.075 36 2HZ LYS 3 2HZ LYS 3 -12.760 -0.008 -0.106 37 3HZ LYS 3 3HZ LYS 3 -14.452 0.129 -0.171 38 H LYS 4 H LYS 4 -6.791 -1.526 -2.118 39 HA LYS 4 HA LYS 4 -7.948 -4.118 -3.064 40 1HB LYS 4 2HB LYS 4 -6.535 -2.018 -4.497 41 2HB LYS 4 1HB LYS 4 -5.707 -3.564 -4.644 42 1HG LYS 4 2HG LYS 4 -8.010 -4.558 -5.205 43 2HG LYS 4 1HG LYS 4 -8.550 -2.891 -5.415 44 1HD LYS 4 2HD LYS 4 -7.333 -2.594 -7.333 45 2HD LYS 4 1HD LYS 4 -6.019 -3.636 -6.784 46 1HE LYS 4 2HE LYS 4 -8.312 -5.300 -7.059 47 2HE LYS 4 1HE LYS 4 -8.198 -4.315 -8.531 48 1HZ LYS 4 1HZ LYS 4 -6.755 -6.142 -8.856 49 2HZ LYS 4 2HZ LYS 4 -6.085 -5.995 -7.301 50 3HZ LYS 4 3HZ LYS 4 -5.752 -4.824 -8.486 51 H TRP 5 H TRP 5 -7.154 -4.400 -0.712 52 HA TRP 5 HA TRP 5 -5.580 -5.351 0.781 53 1HB TRP 5 2HB TRP 5 -5.016 -6.338 -1.978 54 2HB TRP 5 1HB TRP 5 -3.816 -6.698 -0.737 55 HD1 TRP 5 HD TRP 5 -6.902 -8.026 -2.146 56 HE1 TRP 5 1HE TRP 5 -7.976 -9.764 -0.573 57 HE3 TRP 5 3HE TRP 5 -4.257 -7.101 2.117 58 HZ2 TRP 5 2HZ TRP 5 -7.740 -10.647 2.140 59 HZ3 TRP 5 3HZ TRP 5 -4.698 -8.402 4.182 60 HH2 TRP 5 HH TRP 5 -6.436 -10.172 4.198 61 HA PRO 6 HA PRO 6 -2.578 -1.982 0.331 62 1HB PRO 6 2HB PRO 6 -2.269 -1.592 3.020 63 2HB PRO 6 1HB PRO 6 -3.602 -0.889 2.085 64 1HG PRO 6 2HG PRO 6 -3.589 -3.272 3.862 65 2HG PRO 6 1HG PRO 6 -4.845 -2.046 3.626 66 1HD PRO 6 2HD PRO 6 -4.915 -4.542 2.501 67 2HD PRO 6 1HD PRO 6 -5.734 -3.119 1.817 68 H TRP 7 H TRP 7 -1.121 -3.728 -0.459 69 HA TRP 7 HA TRP 7 0.679 -4.774 1.703 70 1HB TRP 7 2HB TRP 7 -0.766 -6.016 -0.467 71 2HB TRP 7 1HB TRP 7 0.965 -6.276 -0.675 72 HD1 TRP 7 HD TRP 7 -1.967 -7.241 1.483 73 HE1 TRP 7 1HE TRP 7 -1.216 -8.991 3.221 74 HE3 TRP 7 3HE TRP 7 3.091 -7.048 0.805 75 HZ2 TRP 7 2HZ TRP 7 1.209 -10.155 4.195 76 HZ3 TRP 7 3HZ TRP 7 4.596 -8.485 2.149 77 HH2 TRP 7 HH TRP 7 3.662 -10.037 3.842 78 H TRP 8 H TRP 8 1.291 -2.306 0.896 79 HA TRP 8 HA TRP 8 3.383 -2.588 -1.217 80 1HB TRP 8 2HB TRP 8 1.342 -0.949 -1.314 81 2HB TRP 8 1HB TRP 8 2.277 0.004 -0.164 82 HD1 TRP 8 HD TRP 8 4.061 1.539 -1.134 83 HE1 TRP 8 1HE TRP 8 5.180 1.827 -3.437 84 HE3 TRP 8 3HE TRP 8 2.100 -2.493 -3.574 85 HZ2 TRP 8 2HZ TRP 8 5.238 0.517 -5.980 86 HZ3 TRP 8 3HZ TRP 8 2.703 -2.951 -5.934 87 HH2 TRP 8 HH TRP 8 4.268 -1.452 -7.140 88 HA PRO 9 HA PRO 9 5.961 -1.956 2.405 89 1HB PRO 9 2HB PRO 9 8.150 -3.222 1.379 90 2HB PRO 9 1HB PRO 9 6.776 -4.089 2.084 91 1HG PRO 9 2HG PRO 9 7.568 -3.814 -0.727 92 2HG PRO 9 1HG PRO 9 6.580 -5.054 0.052 93 1HD PRO 9 2HD PRO 9 5.689 -2.835 -1.498 94 2HD PRO 9 1HD PRO 9 4.693 -4.029 -0.640 95 H TRP 10 H TRP 10 5.603 -0.003 0.181 96 HA TRP 10 HA TRP 10 8.382 1.018 -0.120 97 1HB TRP 10 2HB TRP 10 6.265 0.563 -1.890 98 2HB TRP 10 1HB TRP 10 6.309 2.307 -1.690 99 HD1 TRP 10 HD TRP 10 8.938 3.377 -1.928 100 HE1 TRP 10 1HE TRP 10 10.698 2.750 -3.708 101 HE3 TRP 10 3HE TRP 10 7.093 -1.116 -3.401 102 HZ2 TRP 10 2HZ TRP 10 11.243 0.600 -5.531 103 HZ3 TRP 10 3HZ TRP 10 8.236 -2.451 -5.162 104 HH2 TRP 10 HH TRP 10 10.310 -1.594 -6.226 105 H ARG 11 H ARG 11 5.124 2.464 0.025 106 HA ARG 11 HA ARG 11 6.161 4.426 2.011 107 1HB ARG 11 2HB ARG 11 4.316 5.860 0.751 108 2HB ARG 11 1HB ARG 11 5.940 5.720 0.088 109 1HG ARG 11 2HG ARG 11 5.262 4.269 -1.599 110 2HG ARG 11 1HG ARG 11 3.881 3.675 -0.675 111 1HD ARG 11 2HD ARG 11 3.225 6.324 -0.937 112 2HD ARG 11 1HD ARG 11 4.058 6.012 -2.474 113 HE ARG 11 HE ARG 11 2.527 3.908 -2.561 114 1HH1 ARG 11 1HH1 ARG 11 1.211 4.990 0.052 115 2HH1 ARG 11 2HH1 ARG 11 -0.262 5.626 -0.600 116 1HH2 ARG 11 1HH2 ARG 11 0.845 5.548 -3.885 117 2HH2 ARG 11 2HH2 ARG 11 -0.469 5.943 -2.829 118 H ARG 12 H ARG 12 5.120 2.434 3.263 119 HA ARG 12 HA ARG 12 2.249 2.214 3.382 120 1HB ARG 12 2HB ARG 12 4.496 0.932 4.400 121 2HB ARG 12 1HB ARG 12 3.731 1.613 5.837 122 1HG ARG 12 2HG ARG 12 1.529 0.643 4.840 123 2HG ARG 12 1HG ARG 12 2.601 -0.353 3.856 124 1HD ARG 12 2HD ARG 12 3.764 -0.758 6.253 125 2HD ARG 12 1HD ARG 12 2.100 -0.456 6.792 126 HE ARG 12 HE ARG 12 2.962 -2.671 5.025 127 1HH1 ARG 12 1HH1 ARG 12 0.890 -1.779 7.460 128 2HH1 ARG 12 2HH1 ARG 12 -0.516 -2.554 6.813 129 1HH2 ARG 12 1HH2 ARG 12 0.959 -3.270 3.757 130 2HH2 ARG 12 2HH2 ARG 12 -0.477 -3.398 4.715 131 H LYS 13 H LYS 13 1.540 4.475 3.526 132 HA LYS 13 HA LYS 13 0.997 6.474 4.684 133 1HB LYS 13 2HB LYS 13 0.501 4.069 6.227 134 2HB LYS 13 1HB LYS 13 0.814 5.433 7.298 135 1HG LYS 13 2HG LYS 13 -1.205 6.320 6.849 136 2HG LYS 13 1HG LYS 13 -0.886 6.264 5.116 137 1HD LYS 13 2HD LYS 13 -2.743 4.847 5.330 138 2HD LYS 13 1HD LYS 13 -1.393 3.711 5.359 139 1HE LYS 13 2HE LYS 13 -1.864 4.666 8.039 140 2HE LYS 13 1HE LYS 13 -3.381 4.045 7.356 141 1HZ LYS 13 1HZ LYS 13 -2.310 2.140 8.116 142 2HZ LYS 13 2HZ LYS 13 -0.777 2.671 7.614 143 3HZ LYS 13 3HZ LYS 13 -1.921 2.162 6.466 144 1HN NH2 14 1HN NH2 14 3.867 6.197 4.377 145 2HN NH2 14 2HN NH2 14 4.612 6.844 5.760 Start of MODEL 2 1 1H ILE 1 1HT ILE 1 -7.853 6.050 -7.916 2 2H ILE 1 2HT ILE 1 -7.858 5.381 -9.478 3 3H ILE 1 3HT ILE 1 -6.514 5.162 -8.460 4 HA ILE 1 HA ILE 1 -9.130 4.199 -7.528 5 HB ILE 1 HB ILE 1 -8.625 2.091 -8.841 6 1HG1 ILE 1 2HG1 ILE 1 -6.939 3.701 -10.694 7 2HG1 ILE 1 1HG1 ILE 1 -6.167 3.153 -9.204 8 1HG2 ILE 1 1HG2 ILE 1 -9.882 2.842 -10.617 9 2HG2 ILE 1 2HG2 ILE 1 -8.884 4.277 -10.852 10 3HG2 ILE 1 3HG2 ILE 1 -10.077 4.236 -9.553 11 1HD1 ILE 1 1HD1 ILE 1 -6.753 0.843 -9.691 12 2HD1 ILE 1 2HD1 ILE 1 -5.922 1.523 -11.090 13 3HD1 ILE 1 3HD1 ILE 1 -7.677 1.340 -11.109 14 H LEU 2 H LEU 2 -8.757 2.445 -6.013 15 HA LEU 2 HA LEU 2 -6.183 1.331 -5.423 16 1HB LEU 2 2HB LEU 2 -5.611 3.628 -4.866 17 2HB LEU 2 1HB LEU 2 -7.053 3.784 -3.862 18 HG LEU 2 HG LEU 2 -6.085 1.767 -2.541 19 1HD1 LEU 2 1HD1 LEU 2 -3.372 2.482 -2.915 20 2HD1 LEU 2 2HD1 LEU 2 -4.037 2.218 -4.526 21 3HD1 LEU 2 3HD1 LEU 2 -4.136 0.943 -3.312 22 1HD2 LEU 2 1HD2 LEU 2 -5.218 3.270 -1.003 23 2HD2 LEU 2 2HD2 LEU 2 -6.107 4.383 -2.042 24 3HD2 LEU 2 3HD2 LEU 2 -4.363 4.199 -2.236 25 H LYS 3 H LYS 3 -7.297 -0.567 -4.952 26 HA LYS 3 HA LYS 3 -8.491 -0.810 -2.310 27 1HB LYS 3 2HB LYS 3 -10.740 -1.539 -3.333 28 2HB LYS 3 1HB LYS 3 -10.392 0.191 -3.347 29 1HG LYS 3 2HG LYS 3 -9.515 -0.048 -5.674 30 2HG LYS 3 1HG LYS 3 -10.011 -1.741 -5.653 31 1HD LYS 3 2HD LYS 3 -12.199 -0.082 -4.770 32 2HD LYS 3 1HD LYS 3 -11.601 0.501 -6.325 33 1HE LYS 3 2HE LYS 3 -13.290 -1.202 -6.758 34 2HE LYS 3 1HE LYS 3 -11.707 -1.901 -7.154 35 1HZ LYS 3 1HZ LYS 3 -13.311 -2.283 -4.694 36 2HZ LYS 3 2HZ LYS 3 -11.647 -2.621 -4.740 37 3HZ LYS 3 3HZ LYS 3 -12.717 -3.468 -5.752 38 H LYS 4 H LYS 4 -6.436 -2.275 -2.989 39 HA LYS 4 HA LYS 4 -7.545 -4.979 -3.496 40 1HB LYS 4 2HB LYS 4 -6.921 -4.355 -5.668 41 2HB LYS 4 1HB LYS 4 -5.504 -3.474 -5.111 42 1HG LYS 4 2HG LYS 4 -4.211 -5.325 -5.150 43 2HG LYS 4 1HG LYS 4 -5.446 -6.294 -4.346 44 1HD LYS 4 2HD LYS 4 -5.292 -7.299 -6.466 45 2HD LYS 4 1HD LYS 4 -6.673 -6.216 -6.642 46 1HE LYS 4 2HE LYS 4 -5.506 -5.538 -8.514 47 2HE LYS 4 1HE LYS 4 -4.653 -4.525 -7.332 48 1HZ LYS 4 1HZ LYS 4 -3.211 -6.555 -6.937 49 2HZ LYS 4 2HZ LYS 4 -2.973 -5.735 -8.407 50 3HZ LYS 4 3HZ LYS 4 -3.862 -7.182 -8.373 51 H TRP 5 H TRP 5 -7.014 -4.854 -1.138 52 HA TRP 5 HA TRP 5 -5.627 -5.425 0.695 53 1HB TRP 5 2HB TRP 5 -4.637 -6.827 -1.744 54 2HB TRP 5 1HB TRP 5 -3.602 -6.878 -0.317 55 HD1 TRP 5 HD TRP 5 -6.427 -8.626 -1.836 56 HE1 TRP 5 1HE TRP 5 -7.607 -10.149 -0.123 57 HE3 TRP 5 3HE TRP 5 -4.368 -6.850 2.480 58 HZ2 TRP 5 2HZ TRP 5 -7.667 -10.560 2.708 59 HZ3 TRP 5 3HZ TRP 5 -5.001 -7.823 4.671 60 HH2 TRP 5 HH TRP 5 -6.647 -9.673 4.791 61 HA PRO 6 HA PRO 6 -2.746 -1.986 0.151 62 1HB PRO 6 2HB PRO 6 -2.687 -1.322 2.804 63 2HB PRO 6 1HB PRO 6 -3.976 -0.800 1.702 64 1HG PRO 6 2HG PRO 6 -3.968 -3.008 3.697 65 2HG PRO 6 1HG PRO 6 -5.267 -1.885 3.259 66 1HD PRO 6 2HD PRO 6 -5.129 -4.465 2.370 67 2HD PRO 6 1HD PRO 6 -5.943 -3.156 1.482 68 H TRP 7 H TRP 7 -1.118 -3.687 -0.345 69 HA TRP 7 HA TRP 7 0.578 -4.343 2.042 70 1HB TRP 7 2HB TRP 7 -0.694 -5.978 0.017 71 2HB TRP 7 1HB TRP 7 1.056 -6.211 -0.003 72 HD1 TRP 7 HD TRP 7 -2.029 -6.908 2.034 73 HE1 TRP 7 1HE TRP 7 -1.397 -8.300 4.111 74 HE3 TRP 7 3HE TRP 7 3.063 -6.620 1.773 75 HZ2 TRP 7 2HZ TRP 7 0.958 -9.175 5.479 76 HZ3 TRP 7 3HZ TRP 7 4.474 -7.740 3.474 77 HH2 TRP 7 HH TRP 7 3.430 -9.015 5.325 78 H TRP 8 H TRP 8 1.188 -2.022 0.904 79 HA TRP 8 HA TRP 8 3.269 -2.514 -1.167 80 1HB TRP 8 2HB TRP 8 1.306 -0.784 -1.275 81 2HB TRP 8 1HB TRP 8 2.320 0.169 -0.190 82 HD1 TRP 8 HD TRP 8 4.144 1.579 -1.277 83 HE1 TRP 8 1HE TRP 8 5.208 1.713 -3.621 84 HE3 TRP 8 3HE TRP 8 1.926 -2.455 -3.483 85 HZ2 TRP 8 2HZ TRP 8 5.128 0.294 -6.105 86 HZ3 TRP 8 3HZ TRP 8 2.437 -3.042 -5.837 87 HH2 TRP 8 HH TRP 8 4.034 -1.674 -7.150 88 HA PRO 9 HA PRO 9 5.996 -1.868 2.336 89 1HB PRO 9 2HB PRO 9 8.123 -3.196 1.257 90 2HB PRO 9 1HB PRO 9 6.756 -4.023 2.026 91 1HG PRO 9 2HG PRO 9 7.447 -3.799 -0.819 92 2HG PRO 9 1HG PRO 9 6.479 -5.019 0.017 93 1HD PRO 9 2HD PRO 9 5.540 -2.831 -1.535 94 2HD PRO 9 1HD PRO 9 4.572 -3.981 -0.590 95 H TRP 10 H TRP 10 5.622 -0.008 -0.012 96 HA TRP 10 HA TRP 10 8.402 0.996 -0.350 97 1HB TRP 10 2HB TRP 10 6.289 0.494 -2.096 98 2HB TRP 10 1HB TRP 10 6.290 2.243 -1.922 99 HD1 TRP 10 HD TRP 10 8.874 3.381 -2.199 100 HE1 TRP 10 1HE TRP 10 10.646 2.775 -3.978 101 HE3 TRP 10 3HE TRP 10 7.159 -1.193 -3.574 102 HZ2 TRP 10 2HZ TRP 10 11.247 0.604 -5.760 103 HZ3 TRP 10 3HZ TRP 10 8.335 -2.528 -5.314 104 HH2 TRP 10 HH TRP 10 10.376 -1.631 -6.406 105 H ARG 11 H ARG 11 5.089 2.107 0.328 106 HA ARG 11 HA ARG 11 6.257 4.488 1.718 107 1HB ARG 11 2HB ARG 11 4.116 4.087 -0.283 108 2HB ARG 11 1HB ARG 11 3.695 5.178 1.035 109 1HG ARG 11 2HG ARG 11 6.378 5.529 -0.214 110 2HG ARG 11 1HG ARG 11 4.977 6.035 -1.159 111 1HD ARG 11 2HD ARG 11 5.085 6.874 1.717 112 2HD ARG 11 1HD ARG 11 6.126 7.722 0.556 113 HE ARG 11 HE ARG 11 3.153 7.505 0.303 114 1HH1 ARG 11 1HH2 ARG 11 4.884 7.932 -2.203 115 2HH1 ARG 11 2HH2 ARG 11 4.797 9.654 -2.361 116 1HH2 ARG 11 1HH1 ARG 11 3.604 10.159 0.855 117 2HH2 ARG 11 2HH1 ARG 11 4.073 10.916 -0.632 118 H ARG 12 H ARG 12 6.140 2.492 3.372 119 HA ARG 12 HA ARG 12 3.452 2.231 4.605 120 1HB ARG 12 2HB ARG 12 4.675 0.559 6.006 121 2HB ARG 12 1HB ARG 12 4.868 0.255 4.280 122 1HG ARG 12 2HG ARG 12 7.092 0.740 4.312 123 2HG ARG 12 1HG ARG 12 6.884 2.069 5.452 124 1HD ARG 12 2HD ARG 12 7.213 0.721 7.282 125 2HD ARG 12 1HD ARG 12 6.390 -0.662 6.532 126 HE ARG 12 HE ARG 12 9.179 0.194 5.852 127 1HH1 ARG 12 1HH1 ARG 12 8.582 -2.279 7.513 128 2HH1 ARG 12 2HH1 ARG 12 8.685 -3.527 6.316 129 1HH2 ARG 12 1HH2 ARG 12 8.466 -1.338 3.635 130 2HH2 ARG 12 2HH2 ARG 12 8.620 -2.994 4.120 131 H LYS 13 H LYS 13 2.984 3.022 6.694 132 HA LYS 13 HA LYS 13 3.187 4.441 8.574 133 1HB LYS 13 2HB LYS 13 5.226 2.766 8.643 134 2HB LYS 13 1HB LYS 13 6.166 4.208 8.260 135 1HG LYS 13 2HG LYS 13 5.658 5.244 10.274 136 2HG LYS 13 1HG LYS 13 4.145 4.357 10.467 137 1HD LYS 13 2HD LYS 13 6.597 2.695 10.437 138 2HD LYS 13 1HD LYS 13 6.419 3.758 11.834 139 1HE LYS 13 2HE LYS 13 4.328 2.774 12.448 140 2HE LYS 13 1HE LYS 13 4.179 1.948 10.883 141 1HZ LYS 13 1HZ LYS 13 6.316 0.816 11.421 142 2HZ LYS 13 2HZ LYS 13 5.026 0.372 12.433 143 3HZ LYS 13 3HZ LYS 13 6.212 1.453 12.989 144 1HN NH2 14 1HN NH2 14 2.790 5.890 6.218 145 2HN NH2 14 2HN NH2 14 3.774 7.273 6.198 Start of MODEL 3 1 1H ILE 1 1HT ILE 1 -11.528 7.464 1.291 2 2H ILE 1 2HT ILE 1 -11.783 8.574 0.030 3 3H ILE 1 3HT ILE 1 -10.210 8.277 0.601 4 HA ILE 1 HA ILE 1 -11.805 6.058 -0.517 5 HB ILE 1 HB ILE 1 -10.664 6.763 -2.712 6 1HG1 ILE 1 2HG1 ILE 1 -10.545 9.445 -1.307 7 2HG1 ILE 1 1HG1 ILE 1 -9.137 8.395 -1.481 8 1HG2 ILE 1 1HG2 ILE 1 -13.060 7.757 -1.402 9 2HG2 ILE 1 2HG2 ILE 1 -12.820 7.302 -3.089 10 3HG2 ILE 1 3HG2 ILE 1 -12.431 8.937 -2.551 11 1HD1 ILE 1 1HD1 ILE 1 -8.995 8.727 -3.757 12 2HD1 ILE 1 2HD1 ILE 1 -9.729 10.266 -3.302 13 3HD1 ILE 1 3HD1 ILE 1 -10.733 8.962 -3.937 14 H LEU 2 H LEU 2 -10.559 4.302 -0.022 15 HA LEU 2 HA LEU 2 -7.866 3.934 -0.797 16 1HB LEU 2 2HB LEU 2 -8.246 5.644 1.483 17 2HB LEU 2 1HB LEU 2 -7.430 4.171 2.010 18 HG LEU 2 HG LEU 2 -6.565 6.007 -0.241 19 1HD1 LEU 2 1HD1 LEU 2 -5.890 5.737 2.599 20 2HD1 LEU 2 2HD1 LEU 2 -5.546 7.060 1.485 21 3HD1 LEU 2 3HD1 LEU 2 -4.478 5.657 1.546 22 1HD2 LEU 2 1HD2 LEU 2 -5.230 4.357 -1.027 23 2HD2 LEU 2 2HD2 LEU 2 -6.206 3.247 -0.063 24 3HD2 LEU 2 3HD2 LEU 2 -4.710 3.910 0.598 25 H LYS 3 H LYS 3 -8.385 1.782 -1.126 26 HA LYS 3 HA LYS 3 -8.361 -0.033 1.119 27 1HB LYS 3 2HB LYS 3 -10.765 -0.804 0.739 28 2HB LYS 3 1HB LYS 3 -10.593 0.783 1.490 29 1HG LYS 3 2HG LYS 3 -11.207 1.921 -0.454 30 2HG LYS 3 1HG LYS 3 -10.772 0.569 -1.500 31 1HD LYS 3 2HD LYS 3 -13.092 0.401 -1.514 32 2HD LYS 3 1HD LYS 3 -12.686 -0.676 -0.177 33 1HE LYS 3 2HE LYS 3 -13.051 1.199 1.424 34 2HE LYS 3 1HE LYS 3 -13.537 2.233 0.066 35 1HZ LYS 3 1HZ LYS 3 -15.559 1.357 0.525 36 2HZ LYS 3 2HZ LYS 3 -14.924 -0.039 1.254 37 3HZ LYS 3 3HZ LYS 3 -14.994 0.083 -0.440 38 H LYS 4 H LYS 4 -6.692 -0.488 -0.742 39 HA LYS 4 HA LYS 4 -7.925 -2.478 -2.609 40 1HB LYS 4 2HB LYS 4 -6.403 -0.038 -3.090 41 2HB LYS 4 1HB LYS 4 -5.659 -1.435 -3.861 42 1HG LYS 4 2HG LYS 4 -7.731 -1.980 -5.002 43 2HG LYS 4 1HG LYS 4 -8.586 -0.705 -4.135 44 1HD LYS 4 2HD LYS 4 -7.654 0.976 -5.400 45 2HD LYS 4 1HD LYS 4 -6.152 0.088 -5.661 46 1HE LYS 4 2HE LYS 4 -7.291 0.128 -7.786 47 2HE LYS 4 1HE LYS 4 -7.530 -1.506 -7.138 48 1HZ LYS 4 1HZ LYS 4 -9.419 0.757 -7.190 49 2HZ LYS 4 2HZ LYS 4 -9.566 -0.444 -5.996 50 3HZ LYS 4 3HZ LYS 4 -9.679 -0.859 -7.639 51 H TRP 5 H TRP 5 -7.154 -3.671 -0.535 52 HA TRP 5 HA TRP 5 -5.612 -5.158 0.480 53 1HB TRP 5 2HB TRP 5 -5.094 -5.125 -2.476 54 2HB TRP 5 1HB TRP 5 -4.056 -6.100 -1.435 55 HD1 TRP 5 HD TRP 5 -7.216 -6.275 -3.266 56 HE1 TRP 5 1HE TRP 5 -8.633 -8.281 -2.481 57 HE3 TRP 5 3HE TRP 5 -4.724 -7.485 1.019 58 HZ2 TRP 5 2HZ TRP 5 -8.699 -10.153 -0.317 59 HZ3 TRP 5 3HZ TRP 5 -5.483 -9.382 2.425 60 HH2 TRP 5 HH TRP 5 -7.465 -10.716 1.762 61 HA PRO 6 HA PRO 6 -2.346 -2.072 1.085 62 1HB PRO 6 2HB PRO 6 -1.904 -2.727 3.703 63 2HB PRO 6 1HB PRO 6 -3.209 -1.642 3.183 64 1HG PRO 6 2HG PRO 6 -3.330 -4.515 3.944 65 2HG PRO 6 1HG PRO 6 -4.479 -3.211 4.276 66 1HD PRO 6 2HD PRO 6 -4.832 -5.080 2.314 67 2HD PRO 6 1HD PRO 6 -5.526 -3.445 2.257 68 H TRP 7 H TRP 7 -1.053 -3.469 -0.377 69 HA TRP 7 HA TRP 7 0.796 -5.274 1.147 70 1HB TRP 7 2HB TRP 7 -0.934 -5.709 -1.170 71 2HB TRP 7 1HB TRP 7 0.740 -6.171 -1.479 72 HD1 TRP 7 HD TRP 7 -2.356 -7.319 0.217 73 HE1 TRP 7 1HE TRP 7 -1.890 -9.466 1.569 74 HE3 TRP 7 3HE TRP 7 2.749 -7.368 0.062 75 HZ2 TRP 7 2HZ TRP 7 0.352 -11.000 2.466 76 HZ3 TRP 7 3HZ TRP 7 4.021 -9.183 1.172 77 HH2 TRP 7 HH TRP 7 2.831 -10.996 2.372 78 H TRP 8 H TRP 8 1.652 -2.785 1.005 79 HA TRP 8 HA TRP 8 3.701 -2.827 -1.150 80 1HB TRP 8 2HB TRP 8 1.547 -1.382 -1.541 81 2HB TRP 8 1HB TRP 8 2.298 -0.283 -0.383 82 HD1 TRP 8 HD TRP 8 4.046 1.322 -1.299 83 HE1 TRP 8 1HE TRP 8 5.352 1.551 -3.510 84 HE3 TRP 8 3HE TRP 8 2.628 -3.003 -3.607 85 HZ2 TRP 8 2HZ TRP 8 5.744 0.088 -5.938 86 HZ3 TRP 8 3HZ TRP 8 3.483 -3.563 -5.865 87 HH2 TRP 8 HH TRP 8 5.037 -2.025 -7.032 88 HA PRO 9 HA PRO 9 5.824 -1.755 2.662 89 1HB PRO 9 2HB PRO 9 8.167 -2.987 1.989 90 2HB PRO 9 1HB PRO 9 6.766 -3.863 2.632 91 1HG PRO 9 2HG PRO 9 7.843 -3.814 -0.092 92 2HG PRO 9 1HG PRO 9 6.817 -5.017 0.695 93 1HD PRO 9 2HD PRO 9 6.030 -2.980 -1.143 94 2HD PRO 9 1HD PRO 9 4.990 -4.151 -0.308 95 H TRP 10 H TRP 10 5.608 -0.053 0.225 96 HA TRP 10 HA TRP 10 8.349 1.093 0.074 97 1HB TRP 10 2HB TRP 10 6.413 0.382 -1.811 98 2HB TRP 10 1HB TRP 10 6.346 2.137 -1.754 99 HD1 TRP 10 HD TRP 10 8.931 3.336 -1.866 100 HE1 TRP 10 1HE TRP 10 10.860 2.681 -3.454 101 HE3 TRP 10 3HE TRP 10 7.443 -1.352 -3.121 102 HZ2 TRP 10 2HZ TRP 10 11.658 0.434 -5.054 103 HZ3 TRP 10 3HZ TRP 10 8.792 -2.746 -4.678 104 HH2 TRP 10 HH TRP 10 10.896 -1.856 -5.644 105 H ARG 11 H ARG 11 5.016 2.346 -0.127 106 HA ARG 11 HA ARG 11 5.804 4.542 1.724 107 1HB ARG 11 2HB ARG 11 3.980 5.742 0.218 108 2HB ARG 11 1HB ARG 11 5.649 5.636 -0.326 109 1HG ARG 11 2HG ARG 11 5.162 4.008 -1.911 110 2HG ARG 11 1HG ARG 11 3.765 3.408 -1.015 111 1HD ARG 11 2HD ARG 11 2.862 4.579 -2.905 112 2HD ARG 11 1HD ARG 11 2.671 5.692 -1.536 113 HE ARG 11 HE ARG 11 5.046 6.528 -2.335 114 1HH1 ARG 11 1HH2 ARG 11 4.749 4.822 -4.852 115 2HH1 ARG 11 2HH2 ARG 11 4.180 6.001 -5.987 116 1HH2 ARG 11 1HH1 ARG 11 3.316 8.314 -3.552 117 2HH2 ARG 11 2HH1 ARG 11 3.368 7.978 -5.250 118 H ARG 12 H ARG 12 4.785 2.618 3.094 119 HA ARG 12 HA ARG 12 1.805 2.829 3.122 120 1HB ARG 12 2HB ARG 12 2.075 0.817 4.637 121 2HB ARG 12 1HB ARG 12 2.724 0.589 3.011 122 1HG ARG 12 2HG ARG 12 4.948 0.780 3.733 123 2HG ARG 12 1HG ARG 12 4.494 1.616 5.219 124 1HD ARG 12 2HD ARG 12 3.164 -0.754 5.545 125 2HD ARG 12 1HD ARG 12 4.610 -1.286 4.665 126 HE ARG 12 HE ARG 12 4.798 0.439 7.107 127 1HH1 ARG 12 1HH2 ARG 12 6.758 -0.972 4.880 128 2HH1 ARG 12 2HH2 ARG 12 7.651 -1.965 5.984 129 1HH2 ARG 12 1HH1 ARG 12 5.520 -1.373 8.655 130 2HH2 ARG 12 2HH1 ARG 12 6.951 -2.192 8.119 131 H LYS 13 H LYS 13 2.334 5.124 4.068 132 HA LYS 13 HA LYS 13 1.982 4.974 6.977 133 1HB LYS 13 2HB LYS 13 4.557 5.012 5.977 134 2HB LYS 13 1HB LYS 13 4.247 6.722 6.282 135 1HG LYS 13 2HG LYS 13 3.206 5.557 8.541 136 2HG LYS 13 1HG LYS 13 4.580 4.506 8.195 137 1HD LYS 13 2HD LYS 13 5.084 7.421 7.953 138 2HD LYS 13 1HD LYS 13 4.813 6.814 9.587 139 1HE LYS 13 2HE LYS 13 6.775 5.624 9.609 140 2HE LYS 13 1HE LYS 13 6.646 5.194 7.892 141 1HZ LYS 13 1HZ LYS 13 6.965 7.685 7.497 142 2HZ LYS 13 2HZ LYS 13 8.335 6.780 7.933 143 3HZ LYS 13 3HZ LYS 13 7.546 7.744 9.089 144 1HN NH2 14 1HN NH2 14 0.104 6.030 5.291 145 2HN NH2 14 2HN NH2 14 0.124 7.728 5.307 Start of MODEL 4 1 1H ILE 1 1HT ILE 1 -6.642 -4.249 -9.129 2 2H ILE 1 2HT ILE 1 -5.518 -4.665 -7.926 3 3H ILE 1 3HT ILE 1 -5.013 -4.484 -9.537 4 HA ILE 1 HA ILE 1 -4.573 -2.567 -7.865 5 HB ILE 1 HB ILE 1 -4.939 -1.039 -9.860 6 1HG1 ILE 1 2HG1 ILE 1 -5.852 -3.507 -11.320 7 2HG1 ILE 1 1HG1 ILE 1 -7.034 -2.484 -10.504 8 1HG2 ILE 1 1HG2 ILE 1 -3.164 -1.994 -11.028 9 2HG2 ILE 1 2HG2 ILE 1 -3.782 -3.634 -10.828 10 3HG2 ILE 1 3HG2 ILE 1 -3.019 -2.807 -9.470 11 1HD1 ILE 1 1HD1 ILE 1 -5.700 -0.554 -11.773 12 2HD1 ILE 1 2HD1 ILE 1 -7.001 -1.444 -12.567 13 3HD1 ILE 1 3HD1 ILE 1 -5.318 -1.878 -12.873 14 H LEU 2 H LEU 2 -5.584 -0.608 -7.084 15 HA LEU 2 HA LEU 2 -7.371 0.707 -6.269 16 1HB LEU 2 2HB LEU 2 -8.125 -0.370 -8.830 17 2HB LEU 2 1HB LEU 2 -9.544 -0.340 -7.780 18 HG LEU 2 HG LEU 2 -7.817 2.074 -7.706 19 1HD1 LEU 2 1HD1 LEU 2 -9.335 2.791 -9.794 20 2HD1 LEU 2 2HD1 LEU 2 -9.175 1.074 -10.166 21 3HD1 LEU 2 3HD1 LEU 2 -7.736 2.080 -10.008 22 1HD2 LEU 2 1HD2 LEU 2 -9.792 2.159 -6.398 23 2HD2 LEU 2 2HD2 LEU 2 -10.762 1.408 -7.665 24 3HD2 LEU 2 3HD2 LEU 2 -10.203 3.070 -7.851 25 H LYS 3 H LYS 3 -7.559 -0.167 -4.203 26 HA LYS 3 HA LYS 3 -8.617 -1.335 -2.441 27 1HB LYS 3 2HB LYS 3 -10.613 -2.111 -4.586 28 2HB LYS 3 1HB LYS 3 -10.910 -1.928 -2.857 29 1HG LYS 3 2HG LYS 3 -10.081 0.528 -3.242 30 2HG LYS 3 1HG LYS 3 -10.471 0.202 -4.931 31 1HD LYS 3 2HD LYS 3 -12.729 0.086 -4.532 32 2HD LYS 3 1HD LYS 3 -12.514 -0.574 -2.911 33 1HE LYS 3 2HE LYS 3 -11.536 2.207 -3.318 34 2HE LYS 3 1HE LYS 3 -13.296 1.978 -3.322 35 1HZ LYS 3 1HZ LYS 3 -12.252 2.273 -1.063 36 2HZ LYS 3 2HZ LYS 3 -11.522 0.755 -1.286 37 3HZ LYS 3 3HZ LYS 3 -13.215 0.887 -1.249 38 H LYS 4 H LYS 4 -6.527 -2.714 -3.222 39 HA LYS 4 HA LYS 4 -7.496 -5.533 -3.450 40 1HB LYS 4 2HB LYS 4 -5.959 -3.926 -5.316 41 2HB LYS 4 1HB LYS 4 -5.067 -5.364 -4.837 42 1HG LYS 4 2HG LYS 4 -7.812 -6.078 -5.296 43 2HG LYS 4 1HG LYS 4 -7.206 -5.197 -6.697 44 1HD LYS 4 2HD LYS 4 -6.193 -7.100 -7.352 45 2HD LYS 4 1HD LYS 4 -5.118 -6.924 -5.965 46 1HE LYS 4 2HE LYS 4 -5.991 -8.983 -5.405 47 2HE LYS 4 1HE LYS 4 -7.311 -7.995 -4.745 48 1HZ LYS 4 1HZ LYS 4 -8.598 -8.293 -6.618 49 2HZ LYS 4 2HZ LYS 4 -7.852 -9.815 -6.489 50 3HZ LYS 4 3HZ LYS 4 -7.276 -8.676 -7.610 51 H TRP 5 H TRP 5 -7.020 -5.039 -1.059 52 HA TRP 5 HA TRP 5 -5.649 -5.395 0.837 53 1HB TRP 5 2HB TRP 5 -4.600 -7.068 -1.409 54 2HB TRP 5 1HB TRP 5 -3.646 -6.984 0.070 55 HD1 TRP 5 HD TRP 5 -6.440 -8.818 -1.420 56 HE1 TRP 5 1HE TRP 5 -7.736 -10.146 0.371 57 HE3 TRP 5 3HE TRP 5 -4.530 -6.688 2.806 58 HZ2 TRP 5 2HZ TRP 5 -7.934 -10.286 3.223 59 HZ3 TRP 5 3HZ TRP 5 -5.288 -7.435 5.045 60 HH2 TRP 5 HH TRP 5 -6.985 -9.230 5.258 61 HA PRO 6 HA PRO 6 -2.753 -2.057 -0.102 62 1HB PRO 6 2HB PRO 6 -2.694 -1.084 2.453 63 2HB PRO 6 1HB PRO 6 -3.980 -0.693 1.296 64 1HG PRO 6 2HG PRO 6 -3.982 -2.649 3.538 65 2HG PRO 6 1HG PRO 6 -5.276 -1.583 2.968 66 1HD PRO 6 2HD PRO 6 -5.143 -4.252 2.390 67 2HD PRO 6 1HD PRO 6 -5.953 -3.056 1.354 68 H TRP 7 H TRP 7 -1.119 -3.795 -0.395 69 HA TRP 7 HA TRP 7 0.530 -4.241 2.072 70 1HB TRP 7 2HB TRP 7 -0.658 -6.012 0.139 71 2HB TRP 7 1HB TRP 7 1.097 -6.171 0.073 72 HD1 TRP 7 HD TRP 7 -1.883 -6.671 2.388 73 HE1 TRP 7 1HE TRP 7 -1.132 -8.052 4.433 74 HE3 TRP 7 3HE TRP 7 3.159 -6.775 1.581 75 HZ2 TRP 7 2HZ TRP 7 1.288 -9.064 5.574 76 HZ3 TRP 7 3HZ TRP 7 4.661 -7.953 3.160 77 HH2 TRP 7 HH TRP 7 3.733 -9.096 5.155 78 H TRP 8 H TRP 8 1.082 -1.956 0.812 79 HA TRP 8 HA TRP 8 3.207 -2.432 -1.204 80 1HB TRP 8 2HB TRP 8 1.260 -0.682 -1.261 81 2HB TRP 8 1HB TRP 8 2.283 0.235 -0.155 82 HD1 TRP 8 HD TRP 8 4.117 1.659 -1.205 83 HE1 TRP 8 1HE TRP 8 5.174 1.852 -3.549 84 HE3 TRP 8 3HE TRP 8 1.859 -2.294 -3.521 85 HZ2 TRP 8 2HZ TRP 8 5.076 0.506 -6.072 86 HZ3 TRP 8 3HZ TRP 8 2.359 -2.815 -5.892 87 HH2 TRP 8 HH TRP 8 3.964 -1.423 -7.169 88 HA PRO 9 HA PRO 9 5.953 -1.888 2.307 89 1HB PRO 9 2HB PRO 9 8.042 -3.260 1.210 90 2HB PRO 9 1HB PRO 9 6.659 -4.060 1.972 91 1HG PRO 9 2HG PRO 9 7.353 -3.833 -0.870 92 2HG PRO 9 1HG PRO 9 6.345 -5.027 -0.045 93 1HD PRO 9 2HD PRO 9 5.483 -2.786 -1.574 94 2HD PRO 9 1HD PRO 9 4.475 -3.926 -0.660 95 H TRP 10 H TRP 10 5.602 0.026 0.029 96 HA TRP 10 HA TRP 10 8.405 0.949 -0.365 97 1HB TRP 10 2HB TRP 10 6.228 0.535 -2.060 98 2HB TRP 10 1HB TRP 10 6.298 2.281 -1.869 99 HD1 TRP 10 HD TRP 10 8.927 3.317 -2.194 100 HE1 TRP 10 1HE TRP 10 10.617 2.671 -4.038 101 HE3 TRP 10 3HE TRP 10 6.977 -1.152 -3.598 102 HZ2 TRP 10 2HZ TRP 10 11.069 0.511 -5.878 103 HZ3 TRP 10 3HZ TRP 10 8.040 -2.501 -5.397 104 HH2 TRP 10 HH TRP 10 10.083 -1.673 -6.537 105 H ARG 11 H ARG 11 5.136 2.151 0.378 106 HA ARG 11 HA ARG 11 6.392 4.478 1.783 107 1HB ARG 11 2HB ARG 11 4.215 4.160 -0.198 108 2HB ARG 11 1HB ARG 11 3.850 5.257 1.132 109 1HG ARG 11 2HG ARG 11 6.490 5.469 -0.283 110 2HG ARG 11 1HG ARG 11 5.052 6.185 -1.010 111 1HD ARG 11 2HD ARG 11 5.571 6.743 1.888 112 2HD ARG 11 1HD ARG 11 6.545 7.602 0.678 113 HE ARG 11 HE ARG 11 3.866 7.691 -0.216 114 1HH1 ARG 11 1HH2 ARG 11 5.053 8.302 2.895 115 2HH1 ARG 11 2HH2 ARG 11 4.423 9.912 2.997 116 1HH2 ARG 11 1HH1 ARG 11 3.357 9.984 -0.302 117 2HH2 ARG 11 2HH1 ARG 11 3.461 10.865 1.186 118 H ARG 12 H ARG 12 6.229 2.478 3.424 119 HA ARG 12 HA ARG 12 3.544 2.468 4.738 120 1HB ARG 12 2HB ARG 12 5.671 0.572 4.237 121 2HB ARG 12 1HB ARG 12 5.345 0.664 5.967 122 1HG ARG 12 2HG ARG 12 2.806 0.635 5.005 123 2HG ARG 12 1HG ARG 12 3.620 -0.328 3.771 124 1HD ARG 12 2HD ARG 12 3.776 -0.843 6.765 125 2HD ARG 12 1HD ARG 12 2.807 -1.779 5.608 126 HE ARG 12 HE ARG 12 5.754 -1.495 5.202 127 1HH1 ARG 12 1HH2 ARG 12 3.304 -3.155 3.889 128 2HH1 ARG 12 2HH2 ARG 12 3.869 -4.747 4.267 129 1HH2 ARG 12 1HH1 ARG 12 6.323 -3.644 6.455 130 2HH2 ARG 12 2HH1 ARG 12 5.579 -5.024 5.720 131 H LYS 13 H LYS 13 3.288 3.564 6.641 132 HA LYS 13 HA LYS 13 3.870 5.093 8.369 133 1HB LYS 13 2HB LYS 13 5.088 3.894 10.068 134 2HB LYS 13 1HB LYS 13 4.161 2.698 9.164 135 1HG LYS 13 2HG LYS 13 6.083 1.987 7.940 136 2HG LYS 13 1HG LYS 13 7.027 3.375 8.479 137 1HD LYS 13 2HD LYS 13 5.907 1.670 10.630 138 2HD LYS 13 1HD LYS 13 7.177 0.935 9.653 139 1HE LYS 13 2HE LYS 13 8.491 3.136 10.043 140 2HE LYS 13 1HE LYS 13 7.327 3.432 11.349 141 1HZ LYS 13 1HZ LYS 13 8.413 0.741 11.179 142 2HZ LYS 13 2HZ LYS 13 8.073 1.690 12.547 143 3HZ LYS 13 3HZ LYS 13 9.506 1.940 11.670 144 1HN NH2 14 1HN NH2 14 5.480 5.456 5.791 145 2HN NH2 14 2HN NH2 14 6.916 6.216 6.280 Start of MODEL 5 1 1H ILE 1 1HT ILE 1 -7.650 -6.386 2.417 2 2H ILE 1 2HT ILE 1 -7.897 -6.410 0.736 3 3H ILE 1 3HT ILE 1 -8.769 -7.467 1.742 4 HA ILE 1 HA ILE 1 -9.919 -5.324 0.860 5 HB ILE 1 HB ILE 1 -9.876 -6.519 3.636 6 1HG1 ILE 1 2HG1 ILE 1 -12.113 -6.744 1.655 7 2HG1 ILE 1 1HG1 ILE 1 -10.637 -7.663 1.357 8 1HG2 ILE 1 1HG2 ILE 1 -11.893 -4.564 2.486 9 2HG2 ILE 1 2HG2 ILE 1 -10.782 -4.234 3.815 10 3HG2 ILE 1 3HG2 ILE 1 -12.063 -5.428 4.014 11 1HD1 ILE 1 1HD1 ILE 1 -11.365 -9.208 2.823 12 2HD1 ILE 1 2HD1 ILE 1 -12.751 -8.205 3.247 13 3HD1 ILE 1 3HD1 ILE 1 -11.220 -8.000 4.100 14 H LEU 2 H LEU 2 -10.507 -3.181 1.923 15 HA LEU 2 HA LEU 2 -9.895 -1.095 2.858 16 1HB LEU 2 2HB LEU 2 -9.169 -2.905 4.662 17 2HB LEU 2 1HB LEU 2 -7.545 -2.423 4.167 18 HG LEU 2 HG LEU 2 -8.349 0.000 4.513 19 1HD1 LEU 2 1HD1 LEU 2 -10.791 -0.850 4.665 20 2HD1 LEU 2 2HD1 LEU 2 -10.279 0.376 5.825 21 3HD1 LEU 2 3HD1 LEU 2 -10.381 -1.316 6.315 22 1HD2 LEU 2 1HD2 LEU 2 -8.278 -1.721 7.003 23 2HD2 LEU 2 2HD2 LEU 2 -7.712 -0.061 6.823 24 3HD2 LEU 2 3HD2 LEU 2 -6.839 -1.381 6.042 25 H LYS 3 H LYS 3 -9.196 -0.052 0.996 26 HA LYS 3 HA LYS 3 -7.624 1.014 -0.413 27 1HB LYS 3 2HB LYS 3 -5.543 -0.185 1.426 28 2HB LYS 3 1HB LYS 3 -5.456 1.332 0.532 29 1HG LYS 3 2HG LYS 3 -7.437 2.127 1.914 30 2HG LYS 3 1HG LYS 3 -7.203 0.699 2.920 31 1HD LYS 3 2HD LYS 3 -5.177 1.452 3.764 32 2HD LYS 3 1HD LYS 3 -4.840 2.448 2.348 33 1HE LYS 3 2HE LYS 3 -7.175 3.118 4.139 34 2HE LYS 3 1HE LYS 3 -5.537 3.665 4.548 35 1HZ LYS 3 1HZ LYS 3 -5.345 4.856 2.595 36 2HZ LYS 3 2HZ LYS 3 -6.977 5.115 2.988 37 3HZ LYS 3 3HZ LYS 3 -6.557 3.975 1.802 38 H LYS 4 H LYS 4 -8.501 -1.152 -1.602 39 HA LYS 4 HA LYS 4 -8.027 -3.124 -2.808 40 1HB LYS 4 2HB LYS 4 -5.765 -1.386 -3.751 41 2HB LYS 4 1HB LYS 4 -6.880 -2.366 -4.690 42 1HG LYS 4 2HG LYS 4 -8.722 -0.786 -3.827 43 2HG LYS 4 1HG LYS 4 -7.399 0.288 -3.376 44 1HD LYS 4 2HD LYS 4 -7.811 -0.834 -6.161 45 2HD LYS 4 1HD LYS 4 -8.311 0.779 -5.652 46 1HE LYS 4 2HE LYS 4 -5.997 1.393 -5.158 47 2HE LYS 4 1HE LYS 4 -5.455 -0.254 -5.537 48 1HZ LYS 4 1HZ LYS 4 -5.180 0.944 -7.522 49 2HZ LYS 4 2HZ LYS 4 -6.677 1.731 -7.363 50 3HZ LYS 4 3HZ LYS 4 -6.619 0.076 -7.741 51 H TRP 5 H TRP 5 -7.185 -4.033 -0.626 52 HA TRP 5 HA TRP 5 -5.577 -5.373 0.490 53 1HB TRP 5 2HB TRP 5 -5.130 -5.569 -2.453 54 2HB TRP 5 1HB TRP 5 -3.896 -6.270 -1.407 55 HD1 TRP 5 HD TRP 5 -7.067 -7.116 -2.998 56 HE1 TRP 5 1HE TRP 5 -8.121 -9.210 -1.921 57 HE3 TRP 5 3HE TRP 5 -4.234 -7.447 1.233 58 HZ2 TRP 5 2HZ TRP 5 -7.801 -10.812 0.429 59 HZ3 TRP 5 3HZ TRP 5 -4.626 -9.262 2.873 60 HH2 TRP 5 HH TRP 5 -6.404 -10.944 2.478 61 HA PRO 6 HA PRO 6 -2.509 -2.045 0.841 62 1HB PRO 6 2HB PRO 6 -2.151 -2.350 3.534 63 2HB PRO 6 1HB PRO 6 -3.480 -1.406 2.833 64 1HG PRO 6 2HG PRO 6 -3.501 -4.154 3.964 65 2HG PRO 6 1HG PRO 6 -4.731 -2.884 4.056 66 1HD PRO 6 2HD PRO 6 -4.857 -5.031 2.352 67 2HD PRO 6 1HD PRO 6 -5.672 -3.479 2.065 68 H TRP 7 H TRP 7 -1.106 -3.573 -0.390 69 HA TRP 7 HA TRP 7 0.757 -5.068 1.428 70 1HB TRP 7 2HB TRP 7 -0.850 -5.884 -0.867 71 2HB TRP 7 1HB TRP 7 0.856 -6.268 -1.085 72 HD1 TRP 7 HD TRP 7 -2.205 -7.312 0.801 73 HE1 TRP 7 1HE TRP 7 -1.642 -9.286 2.359 74 HE3 TRP 7 3HE TRP 7 2.890 -7.284 0.455 75 HZ2 TRP 7 2HZ TRP 7 0.666 -10.673 3.330 76 HZ3 TRP 7 3HZ TRP 7 4.244 -8.942 1.705 77 HH2 TRP 7 HH TRP 7 3.140 -10.634 3.141 78 H TRP 8 H TRP 8 1.484 -2.564 0.999 79 HA TRP 8 HA TRP 8 3.534 -2.702 -1.167 80 1HB TRP 8 2HB TRP 8 1.421 -1.209 -1.468 81 2HB TRP 8 1HB TRP 8 2.183 -0.161 -0.270 82 HD1 TRP 8 HD TRP 8 3.954 1.462 -1.117 83 HE1 TRP 8 1HE TRP 8 5.226 1.796 -3.336 84 HE3 TRP 8 3HE TRP 8 2.437 -2.709 -3.635 85 HZ2 TRP 8 2HZ TRP 8 5.557 0.464 -5.847 86 HZ3 TRP 8 3HZ TRP 8 3.242 -3.154 -5.935 87 HH2 TRP 8 HH TRP 8 4.801 -1.574 -7.044 88 HA PRO 9 HA PRO 9 5.849 -1.765 2.568 89 1HB PRO 9 2HB PRO 9 8.114 -3.076 1.787 90 2HB PRO 9 1HB PRO 9 6.705 -3.904 2.475 91 1HG PRO 9 2HG PRO 9 7.681 -3.870 -0.285 92 2HG PRO 9 1HG PRO 9 6.622 -5.030 0.522 93 1HD PRO 9 2HD PRO 9 5.884 -2.914 -1.258 94 2HD PRO 9 1HD PRO 9 4.816 -4.066 -0.429 95 H TRP 10 H TRP 10 5.603 -0.005 0.185 96 HA TRP 10 HA TRP 10 8.384 1.026 -0.068 97 1HB TRP 10 2HB TRP 10 6.334 0.450 -1.877 98 2HB TRP 10 1HB TRP 10 6.343 2.204 -1.771 99 HD1 TRP 10 HD TRP 10 8.960 3.308 -1.987 100 HE1 TRP 10 1HE TRP 10 10.785 2.619 -3.678 101 HE3 TRP 10 3HE TRP 10 7.236 -1.292 -3.271 102 HZ2 TRP 10 2HZ TRP 10 11.422 0.384 -5.363 103 HZ3 TRP 10 3HZ TRP 10 8.457 -2.697 -4.921 104 HH2 TRP 10 HH TRP 10 10.547 -1.861 -5.966 105 H ARG 11 H ARG 11 5.096 2.411 -0.041 106 HA ARG 11 HA ARG 11 6.093 4.542 1.791 107 1HB ARG 11 2HB ARG 11 4.147 5.794 0.451 108 2HB ARG 11 1HB ARG 11 5.787 5.726 -0.179 109 1HG ARG 11 2HG ARG 11 5.237 4.100 -1.768 110 2HG ARG 11 1HG ARG 11 3.839 3.536 -0.851 111 1HD ARG 11 2HD ARG 11 2.493 4.928 -2.021 112 2HD ARG 11 1HD ARG 11 3.472 6.321 -1.517 113 HE ARG 11 HE ARG 11 5.076 5.258 -3.418 114 1HH1 ARG 11 1HH2 ARG 11 2.380 3.915 -4.260 115 2HH1 ARG 11 2HH2 ARG 11 1.923 4.966 -5.558 116 1HH2 ARG 11 1HH1 ARG 11 4.192 7.445 -4.701 117 2HH2 ARG 11 2HH1 ARG 11 2.948 6.966 -5.808 118 H ARG 12 H ARG 12 5.142 2.605 3.191 119 HA ARG 12 HA ARG 12 2.183 2.881 3.481 120 1HB ARG 12 2HB ARG 12 3.926 0.729 3.444 121 2HB ARG 12 1HB ARG 12 3.629 0.957 5.167 122 1HG ARG 12 2HG ARG 12 1.295 1.036 3.292 123 2HG ARG 12 1HG ARG 12 1.992 -0.531 3.708 124 1HD ARG 12 2HD ARG 12 1.772 0.975 6.128 125 2HD ARG 12 1HD ARG 12 0.213 1.061 5.285 126 HE ARG 12 HE ARG 12 1.125 -1.606 5.059 127 1HH1 ARG 12 1HH1 ARG 12 -1.410 -0.316 6.414 128 2HH1 ARG 12 2HH1 ARG 12 -1.328 -1.092 7.959 129 1HH2 ARG 12 1HH2 ARG 12 1.925 -2.207 7.520 130 2HH2 ARG 12 2HH2 ARG 12 0.561 -2.163 8.586 131 H LYS 13 H LYS 13 1.283 3.537 5.487 132 HA LYS 13 HA LYS 13 3.225 4.793 7.397 133 1HB LYS 13 2HB LYS 13 0.836 5.657 6.020 134 2HB LYS 13 1HB LYS 13 0.588 5.767 7.764 135 1HG LYS 13 2HG LYS 13 1.558 7.853 7.108 136 2HG LYS 13 1HG LYS 13 2.853 6.937 7.882 137 1HD LYS 13 2HD LYS 13 2.900 6.177 5.167 138 2HD LYS 13 1HD LYS 13 2.703 7.930 5.168 139 1HE LYS 13 2HE LYS 13 4.634 7.194 7.185 140 2HE LYS 13 1HE LYS 13 5.102 6.497 5.620 141 1HZ LYS 13 1HZ LYS 13 4.145 9.287 5.897 142 2HZ LYS 13 2HZ LYS 13 4.934 8.579 4.571 143 3HZ LYS 13 3HZ LYS 13 5.789 8.883 6.007 144 1HN NH2 14 1HN NH2 14 2.918 2.121 7.952 145 2HN NH2 14 2HN NH2 14 1.840 1.867 9.238 Start of MODEL 6 1 1H ILE 1 1HT ILE 1 -11.343 8.134 -3.003 2 2H ILE 1 2HT ILE 1 -10.036 7.857 -4.053 3 3H ILE 1 3HT ILE 1 -9.782 7.929 -2.374 4 HA ILE 1 HA ILE 1 -11.531 5.956 -2.403 5 HB ILE 1 HB ILE 1 -10.106 5.969 -5.083 6 1HG1 ILE 1 2HG1 ILE 1 -13.003 6.297 -4.256 7 2HG1 ILE 1 1HG1 ILE 1 -12.002 7.453 -5.135 8 1HG2 ILE 1 1HG2 ILE 1 -12.018 3.938 -3.891 9 2HG2 ILE 1 2HG2 ILE 1 -10.281 3.705 -4.081 10 3HG2 ILE 1 3HG2 ILE 1 -11.309 3.870 -5.504 11 1HD1 ILE 1 1HD1 ILE 1 -11.863 5.088 -6.638 12 2HD1 ILE 1 2HD1 ILE 1 -12.776 6.541 -7.044 13 3HD1 ILE 1 3HD1 ILE 1 -13.556 5.226 -6.163 14 H LEU 2 H LEU 2 -10.463 3.836 -1.992 15 HA LEU 2 HA LEU 2 -7.691 3.313 -2.211 16 1HB LEU 2 2HB LEU 2 -8.366 5.391 -0.370 17 2HB LEU 2 1HB LEU 2 -7.800 4.009 0.570 18 HG LEU 2 HG LEU 2 -6.097 4.260 -1.703 19 1HD1 LEU 2 1HD1 LEU 2 -5.949 6.474 -2.075 20 2HD1 LEU 2 2HD1 LEU 2 -5.424 6.691 -0.407 21 3HD1 LEU 2 3HD1 LEU 2 -7.137 6.791 -0.811 22 1HD2 LEU 2 1HD2 LEU 2 -4.825 3.516 0.008 23 2HD2 LEU 2 2HD2 LEU 2 -5.983 4.103 1.201 24 3HD2 LEU 2 3HD2 LEU 2 -4.742 5.185 0.570 25 H LYS 3 H LYS 3 -8.235 1.143 -2.294 26 HA LYS 3 HA LYS 3 -8.626 -0.322 0.145 27 1HB LYS 3 2HB LYS 3 -11.009 -1.052 -0.445 28 2HB LYS 3 1HB LYS 3 -10.837 0.605 0.133 29 1HG LYS 3 2HG LYS 3 -11.090 1.516 -2.022 30 2HG LYS 3 1HG LYS 3 -10.710 -0.015 -2.812 31 1HD LYS 3 2HD LYS 3 -12.856 -0.869 -1.549 32 2HD LYS 3 1HD LYS 3 -13.263 0.846 -1.488 33 1HE LYS 3 2HE LYS 3 -13.349 1.036 -3.845 34 2HE LYS 3 1HE LYS 3 -12.439 -0.469 -4.085 35 1HZ LYS 3 1HZ LYS 3 -14.772 -0.905 -4.408 36 2HZ LYS 3 2HZ LYS 3 -15.156 -0.214 -2.904 37 3HZ LYS 3 3HZ LYS 3 -14.267 -1.660 -2.976 38 H LYS 4 H LYS 4 -6.773 -1.019 -1.506 39 HA LYS 4 HA LYS 4 -7.854 -3.316 -3.089 40 1HB LYS 4 2HB LYS 4 -6.387 -0.929 -3.907 41 2HB LYS 4 1HB LYS 4 -5.578 -2.408 -4.415 42 1HG LYS 4 2HG LYS 4 -8.317 -2.833 -4.921 43 2HG LYS 4 1HG LYS 4 -7.980 -1.194 -5.482 44 1HD LYS 4 2HD LYS 4 -7.387 -2.415 -7.367 45 2HD LYS 4 1HD LYS 4 -5.836 -2.337 -6.530 46 1HE LYS 4 2HE LYS 4 -6.051 -4.563 -5.698 47 2HE LYS 4 1HE LYS 4 -7.776 -4.626 -6.105 48 1HZ LYS 4 1HZ LYS 4 -5.449 -4.678 -7.909 49 2HZ LYS 4 2HZ LYS 4 -6.931 -4.062 -8.467 50 3HZ LYS 4 3HZ LYS 4 -6.827 -5.666 -7.916 51 H TRP 5 H TRP 5 -7.146 -4.148 -0.841 52 HA TRP 5 HA TRP 5 -5.602 -5.383 0.467 53 1HB TRP 5 2HB TRP 5 -4.947 -5.765 -2.427 54 2HB TRP 5 1HB TRP 5 -3.840 -6.442 -1.233 55 HD1 TRP 5 HD TRP 5 -6.888 -7.274 -3.057 56 HE1 TRP 5 1HE TRP 5 -8.112 -9.266 -1.968 57 HE3 TRP 5 3HE TRP 5 -4.455 -7.453 1.423 58 HZ2 TRP 5 2HZ TRP 5 -8.061 -10.740 0.486 59 HZ3 TRP 5 3HZ TRP 5 -5.059 -9.158 3.119 60 HH2 TRP 5 HH TRP 5 -6.859 -10.800 2.656 61 HA PRO 6 HA PRO 6 -2.565 -2.024 0.782 62 1HB PRO 6 2HB PRO 6 -2.300 -2.216 3.497 63 2HB PRO 6 1HB PRO 6 -3.611 -1.316 2.711 64 1HG PRO 6 2HG PRO 6 -3.647 -4.025 3.937 65 2HG PRO 6 1HG PRO 6 -4.885 -2.760 3.957 66 1HD PRO 6 2HD PRO 6 -4.977 -4.949 2.320 67 2HD PRO 6 1HD PRO 6 -5.754 -3.396 1.942 68 H TRP 7 H TRP 7 -1.103 -3.576 -0.337 69 HA TRP 7 HA TRP 7 0.732 -4.955 1.595 70 1HB TRP 7 2HB TRP 7 -0.859 -5.950 -0.610 71 2HB TRP 7 1HB TRP 7 0.853 -6.243 -0.908 72 HD1 TRP 7 HD TRP 7 -1.995 -7.171 1.428 73 HE1 TRP 7 1HE TRP 7 -1.256 -9.144 2.915 74 HE3 TRP 7 3HE TRP 7 2.957 -7.399 0.197 75 HZ2 TRP 7 2HZ TRP 7 1.120 -10.623 3.504 76 HZ3 TRP 7 3HZ TRP 7 4.433 -9.097 1.235 77 HH2 TRP 7 HH TRP 7 3.523 -10.708 2.886 78 H TRP 8 H TRP 8 1.428 -2.466 1.038 79 HA TRP 8 HA TRP 8 3.444 -2.654 -1.160 80 1HB TRP 8 2HB TRP 8 1.353 -1.097 -1.318 81 2HB TRP 8 1HB TRP 8 2.225 -0.091 -0.159 82 HD1 TRP 8 HD TRP 8 3.979 1.495 -1.102 83 HE1 TRP 8 1HE TRP 8 5.128 1.809 -3.389 84 HE3 TRP 8 3HE TRP 8 2.204 -2.618 -3.553 85 HZ2 TRP 8 2HZ TRP 8 5.276 0.487 -5.923 86 HZ3 TRP 8 3HZ TRP 8 2.865 -3.068 -5.898 87 HH2 TRP 8 HH TRP 8 4.397 -1.522 -7.085 88 HA PRO 9 HA PRO 9 5.956 -1.856 2.480 89 1HB PRO 9 2HB PRO 9 8.174 -3.136 1.536 90 2HB PRO 9 1HB PRO 9 6.800 -3.991 2.258 91 1HG PRO 9 2HG PRO 9 7.633 -3.835 -0.548 92 2HG PRO 9 1HG PRO 9 6.630 -5.040 0.267 93 1HD PRO 9 2HD PRO 9 5.774 -2.874 -1.387 94 2HD PRO 9 1HD PRO 9 4.763 -4.051 -0.526 95 H TRP 10 H TRP 10 5.599 -0.004 0.177 96 HA TRP 10 HA TRP 10 8.369 1.032 -0.162 97 1HB TRP 10 2HB TRP 10 6.240 0.517 -1.901 98 2HB TRP 10 1HB TRP 10 6.271 2.266 -1.747 99 HD1 TRP 10 HD TRP 10 8.893 3.349 -2.030 100 HE1 TRP 10 1HE TRP 10 10.640 2.694 -3.814 101 HE3 TRP 10 3HE TRP 10 7.063 -1.187 -3.385 102 HZ2 TRP 10 2HZ TRP 10 11.181 0.505 -5.592 103 HZ3 TRP 10 3HZ TRP 10 8.197 -2.554 -5.125 104 HH2 TRP 10 HH TRP 10 10.254 -1.710 -6.229 105 H ARG 11 H ARG 11 5.104 2.464 -0.029 106 HA ARG 11 HA ARG 11 6.144 4.477 1.907 107 1HB ARG 11 2HB ARG 11 4.278 5.864 0.581 108 2HB ARG 11 1HB ARG 11 5.933 5.768 -0.005 109 1HG ARG 11 2HG ARG 11 5.373 4.152 -1.639 110 2HG ARG 11 1HG ARG 11 3.852 3.746 -0.841 111 1HD ARG 11 2HD ARG 11 3.489 5.153 -2.874 112 2HD ARG 11 1HD ARG 11 2.958 5.989 -1.402 113 HE ARG 11 HE ARG 11 5.119 7.219 -1.426 114 1HH1 ARG 11 1HH2 ARG 11 3.795 8.097 -3.912 115 2HH1 ARG 11 2HH2 ARG 11 5.001 7.804 -5.120 116 1HH2 ARG 11 1HH1 ARG 11 6.872 5.680 -3.115 117 2HH2 ARG 11 2HH1 ARG 11 6.743 6.436 -4.670 118 H ARG 12 H ARG 12 5.085 2.534 3.208 119 HA ARG 12 HA ARG 12 2.371 3.460 3.978 120 1HB ARG 12 2HB ARG 12 2.180 1.717 2.176 121 2HB ARG 12 1HB ARG 12 3.014 0.588 3.245 122 1HG ARG 12 2HG ARG 12 1.220 0.408 4.688 123 2HG ARG 12 1HG ARG 12 0.638 2.034 4.333 124 1HD ARG 12 2HD ARG 12 0.515 0.513 1.907 125 2HD ARG 12 1HD ARG 12 -0.276 -0.418 3.195 126 HE ARG 12 HE ARG 12 -1.492 1.794 3.731 127 1HH1 ARG 12 1HH1 ARG 12 0.203 2.779 1.196 128 2HH1 ARG 12 2HH1 ARG 12 -1.108 2.988 0.083 129 1HH2 ARG 12 1HH2 ARG 12 -3.400 1.284 2.050 130 2HH2 ARG 12 2HH2 ARG 12 -3.147 2.141 0.566 131 H LYS 13 H LYS 13 3.685 4.098 5.903 132 HA LYS 13 HA LYS 13 4.734 1.854 7.549 133 1HB LYS 13 2HB LYS 13 5.484 4.494 7.028 134 2HB LYS 13 1HB LYS 13 4.829 4.552 8.664 135 1HG LYS 13 2HG LYS 13 6.964 3.909 9.204 136 2HG LYS 13 1HG LYS 13 6.302 2.307 8.873 137 1HD LYS 13 2HD LYS 13 7.119 3.496 6.393 138 2HD LYS 13 1HD LYS 13 8.453 3.607 7.542 139 1HE LYS 13 2HE LYS 13 8.254 1.182 8.011 140 2HE LYS 13 1HE LYS 13 6.927 1.071 6.837 141 1HZ LYS 13 1HZ LYS 13 8.725 0.631 5.501 142 2HZ LYS 13 2HZ LYS 13 9.774 1.645 6.372 143 3HZ LYS 13 3HZ LYS 13 8.618 2.314 5.322 144 1HN NH2 14 1HN NH2 14 1.905 1.740 7.329 145 2HN NH2 14 2HN NH2 14 1.204 2.207 8.802 Start of MODEL 7 1 1H ILE 1 1HT ILE 1 -11.302 -6.221 3.222 2 2H ILE 1 2HT ILE 1 -12.418 -4.971 2.936 3 3H ILE 1 3HT ILE 1 -10.966 -4.646 3.756 4 HA ILE 1 HA ILE 1 -9.843 -5.496 1.594 5 HB ILE 1 HB ILE 1 -12.593 -4.625 0.657 6 1HG1 ILE 1 2HG1 ILE 1 -12.590 -6.802 1.934 7 2HG1 ILE 1 1HG1 ILE 1 -13.072 -6.964 0.245 8 1HG2 ILE 1 1HG2 ILE 1 -10.033 -5.410 -0.640 9 2HG2 ILE 1 2HG2 ILE 1 -11.284 -4.300 -1.200 10 3HG2 ILE 1 3HG2 ILE 1 -11.509 -6.041 -1.369 11 1HD1 ILE 1 1HD1 ILE 1 -10.171 -7.252 0.911 12 2HD1 ILE 1 2HD1 ILE 1 -11.114 -8.037 -0.356 13 3HD1 ILE 1 3HD1 ILE 1 -11.252 -8.587 1.313 14 H LEU 2 H LEU 2 -9.054 -3.723 0.196 15 HA LEU 2 HA LEU 2 -9.999 -1.044 0.258 16 1HB LEU 2 2HB LEU 2 -9.003 -1.927 2.723 17 2HB LEU 2 1HB LEU 2 -7.691 -0.965 2.041 18 HG LEU 2 HG LEU 2 -10.444 0.155 1.823 19 1HD1 LEU 2 1HD1 LEU 2 -9.445 1.104 4.273 20 2HD1 LEU 2 2HD1 LEU 2 -9.259 -0.649 4.348 21 3HD1 LEU 2 3HD1 LEU 2 -10.846 0.059 4.039 22 1HD2 LEU 2 1HD2 LEU 2 -8.796 2.126 2.703 23 2HD2 LEU 2 2HD2 LEU 2 -8.963 1.698 1.001 24 3HD2 LEU 2 3HD2 LEU 2 -7.617 1.057 1.942 25 H LYS 3 H LYS 3 -9.180 -0.849 -1.817 26 HA LYS 3 HA LYS 3 -7.556 -0.448 -3.485 27 1HB LYS 3 2HB LYS 3 -5.658 -0.358 -1.122 28 2HB LYS 3 1HB LYS 3 -5.476 0.465 -2.671 29 1HG LYS 3 2HG LYS 3 -7.843 1.490 -1.985 30 2HG LYS 3 1HG LYS 3 -7.245 1.142 -0.362 31 1HD LYS 3 2HD LYS 3 -5.125 2.323 -1.898 32 2HD LYS 3 1HD LYS 3 -6.560 3.341 -2.026 33 1HE LYS 3 2HE LYS 3 -5.496 4.124 -0.054 34 2HE LYS 3 1HE LYS 3 -6.729 3.009 0.568 35 1HZ LYS 3 1HZ LYS 3 -5.048 1.220 0.429 36 2HZ LYS 3 2HZ LYS 3 -4.628 2.434 1.542 37 3HZ LYS 3 3HZ LYS 3 -3.878 2.378 0.018 38 H LYS 4 H LYS 4 -8.158 -3.013 -3.477 39 HA LYS 4 HA LYS 4 -7.393 -5.246 -3.656 40 1HB LYS 4 2HB LYS 4 -6.660 -3.734 -5.599 41 2HB LYS 4 1HB LYS 4 -5.053 -3.820 -4.894 42 1HG LYS 4 2HG LYS 4 -5.966 -6.461 -4.894 43 2HG LYS 4 1HG LYS 4 -6.485 -5.814 -6.449 44 1HD LYS 4 2HD LYS 4 -3.676 -5.905 -5.326 45 2HD LYS 4 1HD LYS 4 -4.276 -6.669 -6.799 46 1HE LYS 4 2HE LYS 4 -4.895 -3.956 -7.138 47 2HE LYS 4 1HE LYS 4 -3.267 -3.960 -6.432 48 1HZ LYS 4 1HZ LYS 4 -4.192 -5.079 -8.960 49 2HZ LYS 4 2HZ LYS 4 -3.059 -6.006 -8.098 50 3HZ LYS 4 3HZ LYS 4 -2.684 -4.415 -8.558 51 H TRP 5 H TRP 5 -6.982 -5.030 -1.223 52 HA TRP 5 HA TRP 5 -5.614 -5.545 0.645 53 1HB TRP 5 2HB TRP 5 -4.491 -6.915 -1.765 54 2HB TRP 5 1HB TRP 5 -3.557 -6.977 -0.270 55 HD1 TRP 5 HD TRP 5 -6.292 -8.690 -2.007 56 HE1 TRP 5 1HE TRP 5 -7.562 -10.261 -0.405 57 HE3 TRP 5 3HE TRP 5 -4.466 -7.047 2.467 58 HZ2 TRP 5 2HZ TRP 5 -7.774 -10.755 2.404 59 HZ3 TRP 5 3HZ TRP 5 -5.216 -8.084 4.590 60 HH2 TRP 5 HH TRP 5 -6.867 -9.934 4.565 61 HA PRO 6 HA PRO 6 -2.818 -2.031 0.116 62 1HB PRO 6 2HB PRO 6 -2.839 -1.325 2.759 63 2HB PRO 6 1HB PRO 6 -4.114 -0.855 1.618 64 1HG PRO 6 2HG PRO 6 -4.100 -3.028 3.649 65 2HG PRO 6 1HG PRO 6 -5.417 -1.952 3.159 66 1HD PRO 6 2HD PRO 6 -5.183 -4.541 2.317 67 2HD PRO 6 1HD PRO 6 -6.013 -3.272 1.391 68 H TRP 7 H TRP 7 -1.133 -3.693 -0.314 69 HA TRP 7 HA TRP 7 0.538 -4.246 2.116 70 1HB TRP 7 2HB TRP 7 -0.658 -5.974 0.119 71 2HB TRP 7 1HB TRP 7 1.096 -6.160 0.135 72 HD1 TRP 7 HD TRP 7 -2.005 -6.860 2.154 73 HE1 TRP 7 1HE TRP 7 -1.372 -8.182 4.275 74 HE3 TRP 7 3HE TRP 7 3.082 -6.491 1.935 75 HZ2 TRP 7 2HZ TRP 7 0.983 -8.977 5.692 76 HZ3 TRP 7 3HZ TRP 7 4.496 -7.537 3.682 77 HH2 TRP 7 HH TRP 7 3.453 -8.778 5.558 78 H TRP 8 H TRP 8 1.106 -1.946 0.923 79 HA TRP 8 HA TRP 8 3.177 -2.411 -1.157 80 1HB TRP 8 2HB TRP 8 1.222 -0.669 -1.185 81 2HB TRP 8 1HB TRP 8 2.262 0.254 -0.099 82 HD1 TRP 8 HD TRP 8 4.071 1.680 -1.184 83 HE1 TRP 8 1HE TRP 8 5.086 1.873 -3.546 84 HE3 TRP 8 3HE TRP 8 1.791 -2.287 -3.449 85 HZ2 TRP 8 2HZ TRP 8 4.950 0.521 -6.064 86 HZ3 TRP 8 3HZ TRP 8 2.253 -2.814 -5.827 87 HH2 TRP 8 HH TRP 8 3.829 -1.416 -7.137 88 HA PRO 9 HA PRO 9 5.968 -1.843 2.313 89 1HB PRO 9 2HB PRO 9 8.038 -3.236 1.202 90 2HB PRO 9 1HB PRO 9 6.664 -4.021 1.998 91 1HG PRO 9 2HG PRO 9 7.317 -3.840 -0.856 92 2HG PRO 9 1HG PRO 9 6.312 -5.014 0.000 93 1HD PRO 9 2HD PRO 9 5.447 -2.785 -1.549 94 2HD PRO 9 1HD PRO 9 4.442 -3.911 -0.613 95 H TRP 10 H TRP 10 5.595 0.017 -0.025 96 HA TRP 10 HA TRP 10 8.388 0.934 -0.468 97 1HB TRP 10 2HB TRP 10 6.179 0.526 -2.112 98 2HB TRP 10 1HB TRP 10 6.244 2.273 -1.919 99 HD1 TRP 10 HD TRP 10 8.873 3.311 -2.288 100 HE1 TRP 10 1HE TRP 10 10.518 2.682 -4.177 101 HE3 TRP 10 3HE TRP 10 6.885 -1.141 -3.689 102 HZ2 TRP 10 2HZ TRP 10 10.926 0.541 -6.047 103 HZ3 TRP 10 3HZ TRP 10 7.904 -2.474 -5.527 104 HH2 TRP 10 HH TRP 10 9.922 -1.635 -6.704 105 H ARG 11 H ARG 11 5.154 2.149 0.386 106 HA ARG 11 HA ARG 11 6.465 4.476 1.738 107 1HB ARG 11 2HB ARG 11 4.227 4.171 -0.175 108 2HB ARG 11 1HB ARG 11 3.908 5.268 1.166 109 1HG ARG 11 2HG ARG 11 6.470 5.445 -0.411 110 2HG ARG 11 1HG ARG 11 5.005 6.260 -0.958 111 1HD ARG 11 2HD ARG 11 4.866 7.339 1.343 112 2HD ARG 11 1HD ARG 11 6.494 6.703 1.648 113 HE ARG 11 HE ARG 11 5.945 8.384 -0.765 114 1HH1 ARG 11 1HH1 ARG 11 8.530 6.994 0.573 115 2HH1 ARG 11 2HH1 ARG 11 9.395 8.435 0.986 116 1HH2 ARG 11 1HH2 ARG 11 6.691 10.533 0.426 117 2HH2 ARG 11 2HH2 ARG 11 8.353 10.441 0.903 118 H ARG 12 H ARG 12 6.347 2.487 3.392 119 HA ARG 12 HA ARG 12 3.889 1.770 4.643 120 1HB ARG 12 2HB ARG 12 6.196 0.746 4.883 121 2HB ARG 12 1HB ARG 12 6.614 2.102 5.933 122 1HG ARG 12 2HG ARG 12 4.882 1.498 7.511 123 2HG ARG 12 1HG ARG 12 4.258 0.260 6.421 124 1HD ARG 12 2HD ARG 12 6.038 -1.193 6.833 125 2HD ARG 12 1HD ARG 12 7.134 0.125 7.298 126 HE ARG 12 HE ARG 12 4.980 0.158 9.130 127 1HH1 ARG 12 1HH2 ARG 12 8.029 -1.200 8.522 128 2HH1 ARG 12 2HH2 ARG 12 8.007 -2.259 9.891 129 1HH2 ARG 12 1HH1 ARG 12 4.732 -1.514 10.750 130 2HH2 ARG 12 2HH1 ARG 12 6.140 -2.438 11.153 131 H LYS 13 H LYS 13 2.595 2.871 6.087 132 HA LYS 13 HA LYS 13 3.630 5.076 7.722 133 1HB LYS 13 2HB LYS 13 2.439 5.471 5.093 134 2HB LYS 13 1HB LYS 13 1.519 6.308 6.344 135 1HG LYS 13 2HG LYS 13 4.294 6.695 6.896 136 2HG LYS 13 1HG LYS 13 4.023 7.068 5.193 137 1HD LYS 13 2HD LYS 13 2.742 8.893 5.660 138 2HD LYS 13 1HD LYS 13 1.963 8.114 7.038 139 1HE LYS 13 2HE LYS 13 3.476 8.968 8.520 140 2HE LYS 13 1HE LYS 13 4.844 8.684 7.424 141 1HZ LYS 13 1HZ LYS 13 2.784 10.759 6.930 142 2HZ LYS 13 2HZ LYS 13 4.280 10.569 6.146 143 3HZ LYS 13 3HZ LYS 13 4.224 11.084 7.764 144 1HN NH2 14 1HN NH2 14 2.644 3.449 9.306 145 2HN NH2 14 2HN NH2 14 0.967 3.484 9.570 Start of MODEL 8 1 1H ILE 1 1HT ILE 1 -14.507 1.907 -2.009 2 2H ILE 1 2HT ILE 1 -14.861 1.171 -3.499 3 3H ILE 1 3HT ILE 1 -15.522 2.689 -3.119 4 HA ILE 1 HA ILE 1 -13.386 2.438 -4.658 5 HB ILE 1 HB ILE 1 -12.947 4.804 -3.877 6 1HG1 ILE 1 2HG1 ILE 1 -15.263 4.748 -2.065 7 2HG1 ILE 1 1HG1 ILE 1 -13.877 3.840 -1.460 8 1HG2 ILE 1 1HG2 ILE 1 -14.684 5.313 -5.212 9 2HG2 ILE 1 2HG2 ILE 1 -15.821 4.921 -3.923 10 3HG2 ILE 1 3HG2 ILE 1 -15.276 3.662 -5.031 11 1HD1 ILE 1 1HD1 ILE 1 -12.901 6.277 -2.586 12 2HD1 ILE 1 2HD1 ILE 1 -12.860 5.764 -0.900 13 3HD1 ILE 1 3HD1 ILE 1 -14.240 6.676 -1.511 14 H LEU 2 H LEU 2 -11.177 2.118 -4.474 15 HA LEU 2 HA LEU 2 -9.075 1.731 -3.459 16 1HB LEU 2 2HB LEU 2 -10.331 3.795 -2.086 17 2HB LEU 2 1HB LEU 2 -9.898 2.666 -0.803 18 HG LEU 2 HG LEU 2 -7.571 2.578 -1.845 19 1HD1 LEU 2 1HD1 LEU 2 -8.403 3.586 -4.031 20 2HD1 LEU 2 2HD1 LEU 2 -6.934 4.310 -3.377 21 3HD1 LEU 2 3HD1 LEU 2 -8.482 5.134 -3.187 22 1HD2 LEU 2 1HD2 LEU 2 -7.385 3.845 0.038 23 2HD2 LEU 2 2HD2 LEU 2 -8.843 4.766 -0.329 24 3HD2 LEU 2 3HD2 LEU 2 -7.310 5.204 -1.084 25 H LYS 3 H LYS 3 -9.118 -0.521 -3.402 26 HA LYS 3 HA LYS 3 -9.335 -1.811 -0.820 27 1HB LYS 3 2HB LYS 3 -11.345 -3.230 -1.563 28 2HB LYS 3 1HB LYS 3 -11.693 -1.556 -1.132 29 1HG LYS 3 2HG LYS 3 -11.971 -0.900 -3.361 30 2HG LYS 3 1HG LYS 3 -11.034 -2.260 -3.978 31 1HD LYS 3 2HD LYS 3 -13.125 -3.081 -4.448 32 2HD LYS 3 1HD LYS 3 -13.019 -3.624 -2.774 33 1HE LYS 3 2HE LYS 3 -13.923 -0.896 -2.779 34 2HE LYS 3 1HE LYS 3 -14.941 -1.844 -3.881 35 1HZ LYS 3 1HZ LYS 3 -14.152 -2.809 -1.191 36 2HZ LYS 3 2HZ LYS 3 -15.344 -3.448 -2.220 37 3HZ LYS 3 3HZ LYS 3 -15.587 -1.946 -1.464 38 H LYS 4 H LYS 4 -7.175 -2.105 -2.202 39 HA LYS 4 HA LYS 4 -7.430 -4.702 -3.669 40 1HB LYS 4 2HB LYS 4 -6.341 -2.079 -4.424 41 2HB LYS 4 1HB LYS 4 -5.237 -3.412 -4.740 42 1HG LYS 4 2HG LYS 4 -8.128 -3.604 -5.558 43 2HG LYS 4 1HG LYS 4 -6.964 -2.767 -6.585 44 1HD LYS 4 2HD LYS 4 -5.586 -4.756 -6.747 45 2HD LYS 4 1HD LYS 4 -6.600 -5.600 -5.576 46 1HE LYS 4 2HE LYS 4 -8.444 -4.777 -7.473 47 2HE LYS 4 1HE LYS 4 -7.029 -5.214 -8.453 48 1HZ LYS 4 1HZ LYS 4 -8.469 -6.869 -6.469 49 2HZ LYS 4 2HZ LYS 4 -6.872 -7.227 -6.927 50 3HZ LYS 4 3HZ LYS 4 -8.115 -7.235 -8.087 51 H TRP 5 H TRP 5 -6.962 -5.179 -1.242 52 HA TRP 5 HA TRP 5 -5.418 -5.809 0.459 53 1HB TRP 5 2HB TRP 5 -4.431 -6.645 -2.239 54 2HB TRP 5 1HB TRP 5 -3.376 -6.920 -0.853 55 HD1 TRP 5 HD TRP 5 -5.869 -8.676 -2.730 56 HE1 TRP 5 1HE TRP 5 -7.034 -10.501 -1.327 57 HE3 TRP 5 3HE TRP 5 -4.448 -7.223 1.941 58 HZ2 TRP 5 2HZ TRP 5 -7.323 -11.244 1.425 59 HZ3 TRP 5 3HZ TRP 5 -5.178 -8.501 3.941 60 HH2 TRP 5 HH TRP 5 -6.613 -10.508 3.687 61 HA PRO 6 HA PRO 6 -2.870 -2.035 0.226 62 1HB PRO 6 2HB PRO 6 -3.034 -1.493 2.902 63 2HB PRO 6 1HB PRO 6 -4.276 -1.003 1.734 64 1HG PRO 6 2HG PRO 6 -4.259 -3.301 3.625 65 2HG PRO 6 1HG PRO 6 -5.594 -2.239 3.151 66 1HD PRO 6 2HD PRO 6 -5.240 -4.755 2.154 67 2HD PRO 6 1HD PRO 6 -6.063 -3.453 1.268 68 H TRP 7 H TRP 7 -1.127 -3.646 -0.225 69 HA TRP 7 HA TRP 7 0.525 -4.173 2.220 70 1HB TRP 7 2HB TRP 7 -0.666 -5.966 0.289 71 2HB TRP 7 1HB TRP 7 1.090 -6.124 0.268 72 HD1 TRP 7 HD TRP 7 -1.949 -6.662 2.469 73 HE1 TRP 7 1HE TRP 7 -1.247 -7.982 4.571 74 HE3 TRP 7 3HE TRP 7 3.124 -6.600 1.892 75 HZ2 TRP 7 2HZ TRP 7 1.152 -8.891 5.839 76 HZ3 TRP 7 3HZ TRP 7 4.593 -7.697 3.560 77 HH2 TRP 7 HH TRP 7 3.614 -8.842 5.530 78 H TRP 8 H TRP 8 1.066 -1.897 0.973 79 HA TRP 8 HA TRP 8 3.109 -2.377 -1.127 80 1HB TRP 8 2HB TRP 8 1.167 -0.623 -1.113 81 2HB TRP 8 1HB TRP 8 2.234 0.293 -0.049 82 HD1 TRP 8 HD TRP 8 4.035 1.700 -1.169 83 HE1 TRP 8 1HE TRP 8 5.002 1.887 -3.552 84 HE3 TRP 8 3HE TRP 8 1.674 -2.244 -3.388 85 HZ2 TRP 8 2HZ TRP 8 4.803 0.537 -6.067 86 HZ3 TRP 8 3HZ TRP 8 2.081 -2.773 -5.775 87 HH2 TRP 8 HH TRP 8 3.641 -1.389 -7.115 88 HA PRO 9 HA PRO 9 5.975 -1.837 2.286 89 1HB PRO 9 2HB PRO 9 8.011 -3.245 1.132 90 2HB PRO 9 1HB PRO 9 6.646 -4.021 1.955 91 1HG PRO 9 2HG PRO 9 7.240 -3.838 -0.913 92 2HG PRO 9 1HG PRO 9 6.247 -5.008 -0.036 93 1HD PRO 9 2HD PRO 9 5.358 -2.776 -1.562 94 2HD PRO 9 1HD PRO 9 4.369 -3.892 -0.600 95 H TRP 10 H TRP 10 5.574 0.019 -0.059 96 HA TRP 10 HA TRP 10 8.367 0.911 -0.548 97 1HB TRP 10 2HB TRP 10 6.125 0.532 -2.152 98 2HB TRP 10 1HB TRP 10 6.208 2.278 -1.957 99 HD1 TRP 10 HD TRP 10 8.835 3.295 -2.363 100 HE1 TRP 10 1HE TRP 10 10.447 2.660 -4.279 101 HE3 TRP 10 3HE TRP 10 6.794 -1.138 -3.749 102 HZ2 TRP 10 2HZ TRP 10 10.810 0.520 -6.163 103 HZ3 TRP 10 3HZ TRP 10 7.775 -2.473 -5.605 104 HH2 TRP 10 HH TRP 10 9.780 -1.646 -6.810 105 H ARG 11 H ARG 11 5.169 2.147 0.403 106 HA ARG 11 HA ARG 11 6.537 4.474 1.695 107 1HB ARG 11 2HB ARG 11 4.225 4.170 -0.119 108 2HB ARG 11 1HB ARG 11 3.950 5.257 1.240 109 1HG ARG 11 2HG ARG 11 6.484 5.485 -0.354 110 2HG ARG 11 1HG ARG 11 4.997 6.207 -0.969 111 1HD ARG 11 2HD ARG 11 4.744 7.512 1.102 112 2HD ARG 11 1HD ARG 11 6.213 6.764 1.762 113 HE ARG 11 HE ARG 11 6.144 8.845 -0.277 114 1HH1 ARG 11 1HH1 ARG 11 8.342 8.599 1.706 115 2HH1 ARG 11 2HH1 ARG 11 9.645 7.976 0.749 116 1HH2 ARG 11 1HH2 ARG 11 7.596 6.955 -1.855 117 2HH2 ARG 11 2HH2 ARG 11 9.223 7.046 -1.267 118 H ARG 12 H ARG 12 6.494 2.486 3.355 119 HA ARG 12 HA ARG 12 3.914 2.387 4.838 120 1HB ARG 12 2HB ARG 12 5.862 0.536 4.169 121 2HB ARG 12 1HB ARG 12 6.229 0.892 5.857 122 1HG ARG 12 2HG ARG 12 3.452 0.687 5.817 123 2HG ARG 12 1HG ARG 12 3.983 -0.596 4.729 124 1HD ARG 12 2HD ARG 12 4.600 -1.853 6.505 125 2HD ARG 12 1HD ARG 12 5.706 -0.570 7.036 126 HE ARG 12 HE ARG 12 3.809 0.462 8.245 127 1HH1 ARG 12 1HH2 ARG 12 4.011 -2.872 8.017 128 2HH1 ARG 12 2HH2 ARG 12 2.403 -3.189 8.575 129 1HH2 ARG 12 1HH1 ARG 12 1.441 0.142 8.512 130 2HH2 ARG 12 2HH1 ARG 12 0.947 -1.482 8.856 131 H LYS 13 H LYS 13 4.580 2.140 7.407 132 HA LYS 13 HA LYS 13 6.267 4.531 8.069 133 1HB LYS 13 2HB LYS 13 3.625 3.599 9.242 134 2HB LYS 13 1HB LYS 13 4.556 4.973 9.835 135 1HG LYS 13 2HG LYS 13 3.435 6.236 8.340 136 2HG LYS 13 1HG LYS 13 4.365 5.416 7.084 137 1HD LYS 13 2HD LYS 13 2.129 5.050 6.432 138 2HD LYS 13 1HD LYS 13 2.560 3.558 7.266 139 1HE LYS 13 2HE LYS 13 1.147 3.982 9.027 140 2HE LYS 13 1HE LYS 13 1.448 5.731 8.974 141 1HZ LYS 13 1HZ LYS 13 0.024 4.321 6.796 142 2HZ LYS 13 2HZ LYS 13 0.062 5.987 7.123 143 3HZ LYS 13 3HZ LYS 13 -0.805 4.939 8.141 144 1HN NH2 14 1HN NH2 14 5.007 3.344 10.901 145 2HN NH2 14 2HN NH2 14 6.232 2.256 11.339 Start of MODEL 9 1 1H ILE 1 1HT ILE 1 -10.227 8.904 0.151 2 2H ILE 1 2HT ILE 1 -10.683 9.069 -1.476 3 3H ILE 1 3HT ILE 1 -9.062 8.762 -1.074 4 HA ILE 1 HA ILE 1 -11.083 6.820 -0.196 5 HB ILE 1 HB ILE 1 -10.794 5.801 -2.529 6 1HG1 ILE 1 2HG1 ILE 1 -10.205 8.563 -3.502 7 2HG1 ILE 1 1HG1 ILE 1 -8.853 7.621 -2.870 8 1HG2 ILE 1 1HG2 ILE 1 -12.847 6.651 -2.892 9 2HG2 ILE 1 2HG2 ILE 1 -12.178 8.257 -3.180 10 3HG2 ILE 1 3HG2 ILE 1 -12.577 7.749 -1.539 11 1HD1 ILE 1 1HD1 ILE 1 -10.394 7.260 -5.354 12 2HD1 ILE 1 2HD1 ILE 1 -10.141 5.771 -4.443 13 3HD1 ILE 1 3HD1 ILE 1 -8.757 6.734 -4.958 14 H LEU 2 H LEU 2 -10.035 4.709 -0.057 15 HA LEU 2 HA LEU 2 -7.354 4.135 -0.804 16 1HB LEU 2 2HB LEU 2 -6.377 4.471 1.567 17 2HB LEU 2 1HB LEU 2 -6.641 5.922 0.600 18 HG LEU 2 HG LEU 2 -9.030 5.181 2.092 19 1HD1 LEU 2 1HD1 LEU 2 -7.679 4.326 3.829 20 2HD1 LEU 2 2HD1 LEU 2 -7.937 6.007 4.296 21 3HD1 LEU 2 3HD1 LEU 2 -6.414 5.522 3.552 22 1HD2 LEU 2 1HD2 LEU 2 -8.224 7.640 2.975 23 2HD2 LEU 2 2HD2 LEU 2 -9.127 7.378 1.483 24 3HD2 LEU 2 3HD2 LEU 2 -7.372 7.541 1.435 25 H LYS 3 H LYS 3 -8.022 2.006 -1.031 26 HA LYS 3 HA LYS 3 -8.067 0.293 1.278 27 1HB LYS 3 2HB LYS 3 -10.555 -0.306 0.989 28 2HB LYS 3 1HB LYS 3 -10.203 1.246 1.750 29 1HG LYS 3 2HG LYS 3 -10.885 2.465 -0.091 30 2HG LYS 3 1HG LYS 3 -10.476 1.178 -1.226 31 1HD LYS 3 2HD LYS 3 -12.415 -0.102 -0.592 32 2HD LYS 3 1HD LYS 3 -12.766 0.992 0.746 33 1HE LYS 3 2HE LYS 3 -14.047 2.223 -0.658 34 2HE LYS 3 1HE LYS 3 -12.595 2.589 -1.612 35 1HZ LYS 3 1HZ LYS 3 -13.755 1.415 -3.160 36 2HZ LYS 3 2HZ LYS 3 -14.597 0.492 -2.009 37 3HZ LYS 3 3HZ LYS 3 -12.985 0.115 -2.388 38 H LYS 4 H LYS 4 -6.533 -0.385 -0.621 39 HA LYS 4 HA LYS 4 -7.997 -2.372 -2.315 40 1HB LYS 4 2HB LYS 4 -6.429 -0.032 -3.037 41 2HB LYS 4 1HB LYS 4 -5.766 -1.493 -3.763 42 1HG LYS 4 2HG LYS 4 -8.155 -2.044 -4.494 43 2HG LYS 4 1HG LYS 4 -8.567 -0.390 -4.043 44 1HD LYS 4 2HD LYS 4 -7.813 0.314 -6.040 45 2HD LYS 4 1HD LYS 4 -6.198 -0.240 -5.595 46 1HE LYS 4 2HE LYS 4 -8.003 -2.423 -6.419 47 2HE LYS 4 1HE LYS 4 -7.642 -1.254 -7.706 48 1HZ LYS 4 1HZ LYS 4 -5.664 -2.633 -5.969 49 2HZ LYS 4 2HZ LYS 4 -5.281 -1.410 -7.084 50 3HZ LYS 4 3HZ LYS 4 -5.900 -2.897 -7.626 51 H TRP 5 H TRP 5 -7.136 -3.513 -0.253 52 HA TRP 5 HA TRP 5 -5.600 -5.033 0.720 53 1HB TRP 5 2HB TRP 5 -5.280 -5.130 -2.260 54 2HB TRP 5 1HB TRP 5 -4.176 -6.077 -1.263 55 HD1 TRP 5 HD TRP 5 -7.461 -6.288 -2.846 56 HE1 TRP 5 1HE TRP 5 -8.842 -8.234 -1.868 57 HE3 TRP 5 3HE TRP 5 -4.682 -7.339 1.301 58 HZ2 TRP 5 2HZ TRP 5 -8.773 -10.005 0.378 59 HZ3 TRP 5 3HZ TRP 5 -5.360 -9.158 2.845 60 HH2 TRP 5 HH TRP 5 -7.400 -10.491 2.388 61 HA PRO 6 HA PRO 6 -2.197 -2.066 1.066 62 1HB PRO 6 2HB PRO 6 -1.558 -2.761 3.635 63 2HB PRO 6 1HB PRO 6 -2.868 -1.634 3.231 64 1HG PRO 6 2HG PRO 6 -3.011 -4.516 3.963 65 2HG PRO 6 1HG PRO 6 -4.083 -3.182 4.419 66 1HD PRO 6 2HD PRO 6 -4.688 -4.991 2.475 67 2HD PRO 6 1HD PRO 6 -5.299 -3.322 2.482 68 H TRP 7 H TRP 7 -1.069 -3.478 -0.511 69 HA TRP 7 HA TRP 7 0.787 -5.424 0.819 70 1HB TRP 7 2HB TRP 7 -1.018 -5.587 -1.467 71 2HB TRP 7 1HB TRP 7 0.630 -6.039 -1.897 72 HD1 TRP 7 HD TRP 7 -2.416 -7.344 -0.251 73 HE1 TRP 7 1HE TRP 7 -1.935 -9.620 0.862 74 HE3 TRP 7 3HE TRP 7 2.684 -7.389 -0.507 75 HZ2 TRP 7 2HZ TRP 7 0.317 -11.245 1.551 76 HZ3 TRP 7 3HZ TRP 7 3.970 -9.311 0.384 77 HH2 TRP 7 HH TRP 7 2.795 -11.237 1.412 78 H TRP 8 H TRP 8 1.674 -2.917 0.860 79 HA TRP 8 HA TRP 8 3.807 -2.895 -1.197 80 1HB TRP 8 2HB TRP 8 1.680 -1.516 -1.799 81 2HB TRP 8 1HB TRP 8 2.253 -0.392 -0.566 82 HD1 TRP 8 HD TRP 8 4.042 1.279 -1.268 83 HE1 TRP 8 1HE TRP 8 5.552 1.591 -3.336 84 HE3 TRP 8 3HE TRP 8 3.003 -3.045 -3.768 85 HZ2 TRP 8 2HZ TRP 8 6.229 0.185 -5.737 86 HZ3 TRP 8 3HZ TRP 8 4.092 -3.537 -5.940 87 HH2 TRP 8 HH TRP 8 5.702 -1.929 -6.926 88 HA PRO 9 HA PRO 9 5.619 -1.719 2.745 89 1HB PRO 9 2HB PRO 9 8.008 -2.962 2.292 90 2HB PRO 9 1HB PRO 9 6.561 -3.825 2.844 91 1HG PRO 9 2HG PRO 9 7.856 -3.852 0.219 92 2HG PRO 9 1HG PRO 9 6.755 -5.026 0.946 93 1HD PRO 9 2HD PRO 9 6.151 -3.015 -0.998 94 2HD PRO 9 1HD PRO 9 5.038 -4.178 -0.249 95 H TRP 10 H TRP 10 5.585 -0.061 0.282 96 HA TRP 10 HA TRP 10 8.339 1.070 0.304 97 1HB TRP 10 2HB TRP 10 6.535 0.339 -1.701 98 2HB TRP 10 1HB TRP 10 6.485 2.095 -1.679 99 HD1 TRP 10 HD TRP 10 9.082 3.268 -1.627 100 HE1 TRP 10 1HE TRP 10 11.113 2.566 -3.059 101 HE3 TRP 10 3HE TRP 10 7.640 -1.429 -2.901 102 HZ2 TRP 10 2HZ TRP 10 12.002 0.283 -4.555 103 HZ3 TRP 10 3HZ TRP 10 9.084 -2.865 -4.330 104 HH2 TRP 10 HH TRP 10 11.262 -2.011 -5.156 105 H ARG 11 H ARG 11 5.052 2.365 -0.186 106 HA ARG 11 HA ARG 11 5.718 4.569 1.708 107 1HB ARG 11 2HB ARG 11 3.988 5.744 0.043 108 2HB ARG 11 1HB ARG 11 5.707 5.685 -0.326 109 1HG ARG 11 2HG ARG 11 5.430 4.002 -1.923 110 2HG ARG 11 1HG ARG 11 3.915 3.441 -1.217 111 1HD ARG 11 2HD ARG 11 2.664 4.995 -2.351 112 2HD ARG 11 1HD ARG 11 3.920 6.244 -2.222 113 HE ARG 11 HE ARG 11 5.146 5.083 -4.038 114 1HH1 ARG 11 1HH2 ARG 11 2.979 2.761 -3.321 115 2HH1 ARG 11 2HH2 ARG 11 2.262 2.627 -4.891 116 1HH2 ARG 11 1HH1 ARG 11 3.761 5.505 -6.112 117 2HH2 ARG 11 2HH1 ARG 11 2.705 4.179 -6.471 118 H ARG 12 H ARG 12 4.587 2.652 3.002 119 HA ARG 12 HA ARG 12 1.663 2.547 2.743 120 1HB ARG 12 2HB ARG 12 3.314 0.710 3.481 121 2HB ARG 12 1HB ARG 12 3.387 1.563 5.024 122 1HG ARG 12 2HG ARG 12 0.750 1.468 4.842 123 2HG ARG 12 1HG ARG 12 1.086 0.107 3.772 124 1HD ARG 12 2HD ARG 12 2.749 -0.084 6.133 125 2HD ARG 12 1HD ARG 12 1.040 0.049 6.594 126 HE ARG 12 HE ARG 12 1.652 -1.805 4.373 127 1HH1 ARG 12 1HH2 ARG 12 -0.474 -1.357 6.809 128 2HH1 ARG 12 2HH2 ARG 12 -0.355 -2.940 7.503 129 1HH2 ARG 12 1HH1 ARG 12 2.436 -3.831 5.647 130 2HH2 ARG 12 2HH1 ARG 12 1.292 -4.340 6.845 131 H LYS 13 H LYS 13 0.877 4.661 3.194 132 HA LYS 13 HA LYS 13 1.438 5.679 5.960 133 1HB LYS 13 2HB LYS 13 0.646 7.276 3.511 134 2HB LYS 13 1HB LYS 13 1.300 7.893 5.029 135 1HG LYS 13 2HG LYS 13 3.239 6.101 4.295 136 2HG LYS 13 1HG LYS 13 2.706 6.702 2.725 137 1HD LYS 13 2HD LYS 13 2.846 8.992 4.315 138 2HD LYS 13 1HD LYS 13 4.267 8.054 4.782 139 1HE LYS 13 2HE LYS 13 4.890 7.832 2.379 140 2HE LYS 13 1HE LYS 13 3.502 8.852 1.950 141 1HZ LYS 13 1HZ LYS 13 4.476 10.399 3.765 142 2HZ LYS 13 2HZ LYS 13 5.160 10.412 2.209 143 3HZ LYS 13 3HZ LYS 13 5.922 9.564 3.469 144 1HN NH2 14 1HN NH2 14 -0.898 7.608 4.604 145 2HN NH2 14 2HN NH2 14 -2.293 6.811 5.144 Start of MODEL 10 1 1H ILE 1 1HT ILE 1 -8.995 -7.892 -0.491 2 2H ILE 1 2HT ILE 1 -8.224 -7.140 0.824 3 3H ILE 1 3HT ILE 1 -8.020 -6.526 -0.747 4 HA ILE 1 HA ILE 1 -10.288 -5.808 -0.855 5 HB ILE 1 HB ILE 1 -11.332 -7.670 0.196 6 1HG1 ILE 1 2HG1 ILE 1 -12.615 -6.629 2.100 7 2HG1 ILE 1 1HG1 ILE 1 -11.523 -5.247 2.008 8 1HG2 ILE 1 1HG2 ILE 1 -9.543 -8.459 1.595 9 2HG2 ILE 1 2HG2 ILE 1 -10.912 -8.132 2.658 10 3HG2 ILE 1 3HG2 ILE 1 -9.575 -6.987 2.565 11 1HD1 ILE 1 1HD1 ILE 1 -12.957 -4.403 0.478 12 2HD1 ILE 1 2HD1 ILE 1 -13.774 -5.954 0.274 13 3HD1 ILE 1 3HD1 ILE 1 -12.299 -5.608 -0.629 14 H LEU 2 H LEU 2 -11.095 -3.866 0.298 15 HA LEU 2 HA LEU 2 -10.795 -1.900 1.579 16 1HB LEU 2 2HB LEU 2 -10.021 -4.097 3.144 17 2HB LEU 2 1HB LEU 2 -8.695 -2.945 3.309 18 HG LEU 2 HG LEU 2 -11.187 -1.521 3.434 19 1HD1 LEU 2 1HD1 LEU 2 -12.381 -3.363 4.248 20 2HD1 LEU 2 2HD1 LEU 2 -11.790 -2.622 5.735 21 3HD1 LEU 2 3HD1 LEU 2 -10.974 -4.036 5.070 22 1HD2 LEU 2 1HD2 LEU 2 -9.607 -1.947 5.899 23 2HD2 LEU 2 2HD2 LEU 2 -10.064 -0.441 5.101 24 3HD2 LEU 2 3HD2 LEU 2 -8.680 -1.365 4.516 25 H LYS 3 H LYS 3 -9.776 -0.619 0.030 26 HA LYS 3 HA LYS 3 -8.003 0.618 -0.925 27 1HB LYS 3 2HB LYS 3 -6.390 -0.614 1.329 28 2HB LYS 3 1HB LYS 3 -6.107 0.934 0.529 29 1HG LYS 3 2HG LYS 3 -8.585 1.427 1.347 30 2HG LYS 3 1HG LYS 3 -8.190 0.197 2.550 31 1HD LYS 3 2HD LYS 3 -6.406 2.577 1.983 32 2HD LYS 3 1HD LYS 3 -7.653 2.586 3.233 33 1HE LYS 3 2HE LYS 3 -5.593 0.376 3.142 34 2HE LYS 3 1HE LYS 3 -5.250 1.914 3.961 35 1HZ LYS 3 1HZ LYS 3 -7.141 1.668 5.329 36 2HZ LYS 3 2HZ LYS 3 -6.349 0.166 5.375 37 3HZ LYS 3 3HZ LYS 3 -7.739 0.368 4.419 38 H LYS 4 H LYS 4 -8.429 -1.517 -2.395 39 HA LYS 4 HA LYS 4 -7.532 -3.395 -3.528 40 1HB LYS 4 2HB LYS 4 -6.184 -2.404 -5.131 41 2HB LYS 4 1HB LYS 4 -6.977 -1.020 -4.413 42 1HG LYS 4 2HG LYS 4 -4.746 -1.367 -2.802 43 2HG LYS 4 1HG LYS 4 -4.139 -1.718 -4.420 44 1HD LYS 4 2HD LYS 4 -5.050 0.411 -5.244 45 2HD LYS 4 1HD LYS 4 -5.698 0.764 -3.641 46 1HE LYS 4 2HE LYS 4 -3.666 1.430 -2.846 47 2HE LYS 4 1HE LYS 4 -2.819 0.095 -3.654 48 1HZ LYS 4 1HZ LYS 4 -3.727 2.659 -4.819 49 2HZ LYS 4 2HZ LYS 4 -3.385 1.311 -5.794 50 3HZ LYS 4 3HZ LYS 4 -2.166 1.995 -4.828 51 H TRP 5 H TRP 5 -7.057 -4.161 -1.148 52 HA TRP 5 HA TRP 5 -5.605 -5.377 0.287 53 1HB TRP 5 2HB TRP 5 -4.750 -5.772 -2.550 54 2HB TRP 5 1HB TRP 5 -3.711 -6.426 -1.283 55 HD1 TRP 5 HD TRP 5 -6.648 -7.293 -3.277 56 HE1 TRP 5 1HE TRP 5 -7.908 -9.296 -2.252 57 HE3 TRP 5 3HE TRP 5 -4.454 -7.447 1.326 58 HZ2 TRP 5 2HZ TRP 5 -7.974 -10.769 0.202 59 HZ3 TRP 5 3HZ TRP 5 -5.131 -9.157 2.989 60 HH2 TRP 5 HH TRP 5 -6.888 -10.816 2.433 61 HA PRO 6 HA PRO 6 -2.615 -2.019 0.852 62 1HB PRO 6 2HB PRO 6 -2.497 -2.285 3.572 63 2HB PRO 6 1HB PRO 6 -3.772 -1.376 2.740 64 1HG PRO 6 2HG PRO 6 -3.843 -4.123 3.879 65 2HG PRO 6 1HG PRO 6 -5.093 -2.868 3.878 66 1HD PRO 6 2HD PRO 6 -5.090 -4.999 2.171 67 2HD PRO 6 1HD PRO 6 -5.844 -3.434 1.792 68 H TRP 7 H TRP 7 -1.077 -3.526 -0.226 69 HA TRP 7 HA TRP 7 0.719 -4.857 1.768 70 1HB TRP 7 2HB TRP 7 -0.815 -5.945 -0.465 71 2HB TRP 7 1HB TRP 7 0.905 -6.315 -0.596 72 HD1 TRP 7 HD TRP 7 -2.187 -7.151 1.368 73 HE1 TRP 7 1HE TRP 7 -1.639 -8.962 3.119 74 HE3 TRP 7 3HE TRP 7 2.906 -7.201 1.014 75 HZ2 TRP 7 2HZ TRP 7 0.660 -10.260 4.224 76 HZ3 TRP 7 3HZ TRP 7 4.249 -8.731 2.427 77 HH2 TRP 7 HH TRP 7 3.134 -10.259 4.030 78 H TRP 8 H TRP 8 1.449 -2.417 1.119 79 HA TRP 8 HA TRP 8 3.466 -2.722 -1.063 80 1HB TRP 8 2HB TRP 8 1.360 -1.184 -1.329 81 2HB TRP 8 1HB TRP 8 2.246 -0.094 -0.263 82 HD1 TRP 8 HD TRP 8 3.994 1.406 -1.353 83 HE1 TRP 8 1HE TRP 8 5.131 1.518 -3.665 84 HE3 TRP 8 3HE TRP 8 2.199 -2.901 -3.425 85 HZ2 TRP 8 2HZ TRP 8 5.263 -0.020 -6.074 86 HZ3 TRP 8 3HZ TRP 8 2.845 -3.554 -5.727 87 HH2 TRP 8 HH TRP 8 4.374 -2.121 -7.052 88 HA PRO 9 HA PRO 9 5.938 -1.646 2.528 89 1HB PRO 9 2HB PRO 9 8.178 -2.968 1.692 90 2HB PRO 9 1HB PRO 9 6.809 -3.784 2.467 91 1HG PRO 9 2HG PRO 9 7.657 -3.820 -0.338 92 2HG PRO 9 1HG PRO 9 6.663 -4.975 0.556 93 1HD PRO 9 2HD PRO 9 5.787 -2.950 -1.253 94 2HD PRO 9 1HD PRO 9 4.786 -4.070 -0.307 95 H TRP 10 H TRP 10 5.587 -0.033 0.021 96 HA TRP 10 HA TRP 10 8.330 1.045 -0.367 97 1HB TRP 10 2HB TRP 10 6.236 0.350 -2.066 98 2HB TRP 10 1HB TRP 10 6.179 2.107 -2.022 99 HD1 TRP 10 HD TRP 10 8.752 3.290 -2.360 100 HE1 TRP 10 1HE TRP 10 10.526 2.619 -4.115 101 HE3 TRP 10 3HE TRP 10 7.124 -1.389 -3.466 102 HZ2 TRP 10 2HZ TRP 10 11.159 0.365 -5.778 103 HZ3 TRP 10 3HZ TRP 10 8.315 -2.794 -5.137 104 HH2 TRP 10 HH TRP 10 10.330 -1.919 -6.292 105 H ARG 11 H ARG 11 4.982 2.100 0.226 106 HA ARG 11 HA ARG 11 6.066 4.634 1.390 107 1HB ARG 11 2HB ARG 11 3.895 3.956 -0.495 108 2HB ARG 11 1HB ARG 11 3.442 5.121 0.748 109 1HG ARG 11 2HG ARG 11 6.061 5.522 -0.624 110 2HG ARG 11 1HG ARG 11 4.598 5.891 -1.538 111 1HD ARG 11 2HD ARG 11 4.558 7.893 -0.470 112 2HD ARG 11 1HD ARG 11 4.176 7.008 1.021 113 HE ARG 11 HE ARG 11 6.833 6.659 0.980 114 1HH1 ARG 11 1HH1 ARG 11 4.866 9.298 1.519 115 2HH1 ARG 11 2HH1 ARG 11 6.116 10.492 1.398 116 1HH2 ARG 11 1HH2 ARG 11 8.504 8.255 0.246 117 2HH2 ARG 11 2HH2 ARG 11 8.175 9.901 0.677 118 H ARG 12 H ARG 12 6.108 2.772 3.201 119 HA ARG 12 HA ARG 12 3.614 2.135 4.523 120 1HB ARG 12 2HB ARG 12 6.290 1.390 4.631 121 2HB ARG 12 1HB ARG 12 6.038 2.211 6.172 122 1HG ARG 12 2HG ARG 12 4.375 0.707 6.853 123 2HG ARG 12 1HG ARG 12 4.035 0.188 5.201 124 1HD ARG 12 2HD ARG 12 5.301 -1.549 6.471 125 2HD ARG 12 1HD ARG 12 6.243 -0.935 5.098 126 HE ARG 12 HE ARG 12 7.236 0.707 6.842 127 1HH1 ARG 12 1HH2 ARG 12 7.188 -2.626 6.948 128 2HH1 ARG 12 2HH2 ARG 12 7.679 -2.767 8.602 129 1HH2 ARG 12 1HH1 ARG 12 7.375 0.625 9.258 130 2HH2 ARG 12 2HH1 ARG 12 7.784 -0.927 9.910 131 H LYS 13 H LYS 13 2.444 4.062 4.968 132 HA LYS 13 HA LYS 13 3.234 5.528 7.350 133 1HB LYS 13 2HB LYS 13 4.730 6.565 5.720 134 2HB LYS 13 1HB LYS 13 3.381 6.853 4.622 135 1HG LYS 13 2HG LYS 13 2.788 8.737 5.711 136 2HG LYS 13 1HG LYS 13 2.849 7.928 7.277 137 1HD LYS 13 2HD LYS 13 4.982 8.620 7.702 138 2HD LYS 13 1HD LYS 13 5.477 8.455 6.017 139 1HE LYS 13 2HE LYS 13 4.557 10.571 5.424 140 2HE LYS 13 1HE LYS 13 3.618 10.668 6.926 141 1HZ LYS 13 1HZ LYS 13 5.424 11.855 7.581 142 2HZ LYS 13 2HZ LYS 13 6.478 11.083 6.494 143 3HZ LYS 13 3HZ LYS 13 6.022 10.309 7.937 144 1HN NH2 14 1HN NH2 14 1.090 5.302 8.172 145 2HN NH2 14 2HN NH2 14 -0.291 5.909 7.393 Start of MODEL 11 1 1H ILE 1 1HT ILE 1 -10.935 7.688 -5.183 2 2H ILE 1 2HT ILE 1 -9.550 6.987 -5.875 3 3H ILE 1 3HT ILE 1 -9.471 7.683 -4.327 4 HA ILE 1 HA ILE 1 -11.175 5.965 -3.612 5 HB ILE 1 HB ILE 1 -10.204 4.708 -6.192 6 1HG1 ILE 1 2HG1 ILE 1 -11.510 6.685 -6.775 7 2HG1 ILE 1 1HG1 ILE 1 -12.490 5.246 -7.062 8 1HG2 ILE 1 1HG2 ILE 1 -12.639 3.619 -5.483 9 2HG2 ILE 1 2HG2 ILE 1 -11.877 3.897 -3.916 10 3HG2 ILE 1 3HG2 ILE 1 -11.068 2.901 -5.126 11 1HD1 ILE 1 1HD1 ILE 1 -12.633 7.090 -4.661 12 2HD1 ILE 1 2HD1 ILE 1 -13.505 5.561 -4.784 13 3HD1 ILE 1 3HD1 ILE 1 -13.864 6.874 -5.905 14 H LEU 2 H LEU 2 -10.265 3.750 -2.912 15 HA LEU 2 HA LEU 2 -7.525 3.037 -3.265 16 1HB LEU 2 2HB LEU 2 -7.906 5.406 -1.822 17 2HB LEU 2 1HB LEU 2 -7.603 4.188 -0.582 18 HG LEU 2 HG LEU 2 -5.809 3.834 -2.835 19 1HD1 LEU 2 1HD1 LEU 2 -4.573 5.878 -2.725 20 2HD1 LEU 2 2HD1 LEU 2 -5.511 6.451 -1.345 21 3HD1 LEU 2 3HD1 LEU 2 -6.260 6.348 -2.938 22 1HD2 LEU 2 1HD2 LEU 2 -4.314 3.391 -1.140 23 2HD2 LEU 2 2HD2 LEU 2 -5.803 3.235 -0.208 24 3HD2 LEU 2 3HD2 LEU 2 -4.879 4.736 -0.150 25 H LYS 3 H LYS 3 -8.211 0.910 -3.055 26 HA LYS 3 HA LYS 3 -8.542 -0.179 -0.394 27 1HB LYS 3 2HB LYS 3 -10.932 -0.919 -0.795 28 2HB LYS 3 1HB LYS 3 -10.739 0.823 -0.595 29 1HG LYS 3 2HG LYS 3 -10.809 1.163 -2.996 30 2HG LYS 3 1HG LYS 3 -10.823 -0.578 -3.281 31 1HD LYS 3 2HD LYS 3 -13.087 -0.228 -3.395 32 2HD LYS 3 1HD LYS 3 -12.955 -0.395 -1.643 33 1HE LYS 3 2HE LYS 3 -13.521 1.780 -1.306 34 2HE LYS 3 1HE LYS 3 -12.394 2.339 -2.558 35 1HZ LYS 3 1HZ LYS 3 -15.132 1.267 -2.915 36 2HZ LYS 3 2HZ LYS 3 -14.019 1.341 -4.197 37 3HZ LYS 3 3HZ LYS 3 -14.523 2.766 -3.421 38 H LYS 4 H LYS 4 -6.711 -1.167 -1.899 39 HA LYS 4 HA LYS 4 -7.853 -3.637 -3.141 40 1HB LYS 4 2HB LYS 4 -6.381 -1.428 -4.319 41 2HB LYS 4 1HB LYS 4 -5.541 -2.955 -4.571 42 1HG LYS 4 2HG LYS 4 -8.350 -3.364 -5.003 43 2HG LYS 4 1HG LYS 4 -7.822 -1.979 -5.962 44 1HD LYS 4 2HD LYS 4 -6.865 -3.377 -7.439 45 2HD LYS 4 1HD LYS 4 -5.802 -3.978 -6.165 46 1HE LYS 4 2HE LYS 4 -8.633 -4.997 -6.354 47 2HE LYS 4 1HE LYS 4 -7.359 -5.696 -7.372 48 1HZ LYS 4 1HZ LYS 4 -7.271 -6.908 -5.379 49 2HZ LYS 4 2HZ LYS 4 -7.449 -5.520 -4.416 50 3HZ LYS 4 3HZ LYS 4 -5.998 -5.796 -5.255 51 H TRP 5 H TRP 5 -7.149 -4.151 -0.797 52 HA TRP 5 HA TRP 5 -5.639 -5.251 0.660 53 1HB TRP 5 2HB TRP 5 -5.012 -6.022 -2.155 54 2HB TRP 5 1HB TRP 5 -3.876 -6.531 -0.905 55 HD1 TRP 5 HD TRP 5 -6.967 -7.598 -2.530 56 HE1 TRP 5 1HE TRP 5 -8.160 -9.421 -1.152 57 HE3 TRP 5 3HE TRP 5 -4.427 -7.173 1.875 58 HZ2 TRP 5 2HZ TRP 5 -8.051 -10.550 1.475 59 HZ3 TRP 5 3HZ TRP 5 -4.989 -8.632 3.799 60 HH2 TRP 5 HH TRP 5 -6.796 -10.319 3.604 61 HA PRO 6 HA PRO 6 -2.522 -1.976 0.650 62 1HB PRO 6 2HB PRO 6 -2.163 -1.998 3.362 63 2HB PRO 6 1HB PRO 6 -3.491 -1.133 2.566 64 1HG PRO 6 2HG PRO 6 -3.511 -3.760 3.961 65 2HG PRO 6 1HG PRO 6 -4.734 -2.481 3.946 66 1HD PRO 6 2HD PRO 6 -4.909 -4.765 2.456 67 2HD PRO 6 1HD PRO 6 -5.680 -3.229 2.005 68 H TRP 7 H TRP 7 -1.109 -3.605 -0.417 69 HA TRP 7 HA TRP 7 0.724 -4.958 1.537 70 1HB TRP 7 2HB TRP 7 -0.872 -5.943 -0.659 71 2HB TRP 7 1HB TRP 7 0.836 -6.234 -0.982 72 HD1 TRP 7 HD TRP 7 -1.957 -7.123 1.451 73 HE1 TRP 7 1HE TRP 7 -1.205 -9.124 2.892 74 HE3 TRP 7 3HE TRP 7 2.927 -7.469 -0.001 75 HZ2 TRP 7 2HZ TRP 7 1.156 -10.666 3.366 76 HZ3 TRP 7 3HZ TRP 7 4.404 -9.211 0.961 77 HH2 TRP 7 HH TRP 7 3.526 -10.810 2.642 78 H TRP 8 H TRP 8 1.435 -2.469 0.970 79 HA TRP 8 HA TRP 8 3.493 -2.690 -1.186 80 1HB TRP 8 2HB TRP 8 1.411 -1.121 -1.400 81 2HB TRP 8 1HB TRP 8 2.270 -0.107 -0.240 82 HD1 TRP 8 HD TRP 8 4.047 1.456 -1.179 83 HE1 TRP 8 1HE TRP 8 5.237 1.728 -3.449 84 HE3 TRP 8 3HE TRP 8 2.291 -2.684 -3.596 85 HZ2 TRP 8 2HZ TRP 8 5.422 0.368 -5.960 86 HZ3 TRP 8 3HZ TRP 8 2.989 -3.173 -5.923 87 HH2 TRP 8 HH TRP 8 4.552 -1.654 -7.107 88 HA PRO 9 HA PRO 9 5.937 -1.877 2.492 89 1HB PRO 9 2HB PRO 9 8.186 -3.126 1.578 90 2HB PRO 9 1HB PRO 9 6.810 -4.000 2.271 91 1HG PRO 9 2HG PRO 9 7.686 -3.808 -0.521 92 2HG PRO 9 1HG PRO 9 6.694 -5.038 0.270 93 1HD PRO 9 2HD PRO 9 5.816 -2.888 -1.384 94 2HD PRO 9 1HD PRO 9 4.815 -4.077 -0.525 95 H TRP 10 H TRP 10 5.612 -0.027 0.167 96 HA TRP 10 HA TRP 10 8.374 1.051 -0.086 97 1HB TRP 10 2HB TRP 10 6.313 0.510 -1.892 98 2HB TRP 10 1HB TRP 10 6.302 2.259 -1.726 99 HD1 TRP 10 HD TRP 10 8.905 3.400 -1.925 100 HE1 TRP 10 1HE TRP 10 10.721 2.792 -3.657 101 HE3 TRP 10 3HE TRP 10 7.220 -1.170 -3.354 102 HZ2 TRP 10 2HZ TRP 10 11.366 0.624 -5.425 103 HZ3 TRP 10 3HZ TRP 10 8.439 -2.503 -5.063 104 HH2 TRP 10 HH TRP 10 10.510 -1.608 -6.098 105 H ARG 11 H ARG 11 5.085 2.426 -0.033 106 HA ARG 11 HA ARG 11 6.044 4.462 1.921 107 1HB ARG 11 2HB ARG 11 4.157 5.797 0.570 108 2HB ARG 11 1HB ARG 11 5.824 5.748 0.007 109 1HG ARG 11 2HG ARG 11 5.335 4.169 -1.662 110 2HG ARG 11 1HG ARG 11 3.861 3.632 -0.857 111 1HD ARG 11 2HD ARG 11 4.131 6.459 -1.905 112 2HD ARG 11 1HD ARG 11 3.546 5.134 -2.932 113 HE ARG 11 HE ARG 11 2.055 4.823 -0.641 114 1HH1 ARG 11 1HH2 ARG 11 0.948 5.890 -3.268 115 2HH1 ARG 11 2HH2 ARG 11 0.240 7.385 -2.752 116 1HH2 ARG 11 1HH1 ARG 11 1.923 7.443 0.279 117 2HH2 ARG 11 2HH1 ARG 11 0.792 8.264 -0.745 118 H ARG 12 H ARG 12 5.017 2.482 3.200 119 HA ARG 12 HA ARG 12 2.234 2.006 3.297 120 1HB ARG 12 2HB ARG 12 2.771 1.382 5.691 121 2HB ARG 12 1HB ARG 12 3.855 0.667 4.498 122 1HG ARG 12 2HG ARG 12 5.646 1.783 5.307 123 2HG ARG 12 1HG ARG 12 4.755 3.305 5.383 124 1HD ARG 12 2HD ARG 12 3.816 2.748 7.530 125 2HD ARG 12 1HD ARG 12 4.411 1.079 7.420 126 HE ARG 12 HE ARG 12 6.556 3.015 7.126 127 1HH1 ARG 12 1HH2 ARG 12 4.554 3.048 9.691 128 2HH1 ARG 12 2HH2 ARG 12 5.660 2.390 10.850 129 1HH2 ARG 12 1HH1 ARG 12 7.992 1.426 8.471 130 2HH2 ARG 12 2HH1 ARG 12 7.607 1.472 10.160 131 H LYS 13 H LYS 13 0.761 2.775 5.139 132 HA LYS 13 HA LYS 13 1.078 5.733 5.487 133 1HB LYS 13 2HB LYS 13 -1.315 3.875 5.352 134 2HB LYS 13 1HB LYS 13 -1.440 5.593 5.737 135 1HG LYS 13 2HG LYS 13 0.197 5.198 3.378 136 2HG LYS 13 1HG LYS 13 -1.384 4.441 3.171 137 1HD LYS 13 2HD LYS 13 -2.040 6.543 2.584 138 2HD LYS 13 1HD LYS 13 -2.102 6.802 4.327 139 1HE LYS 13 2HE LYS 13 -0.770 8.605 3.538 140 2HE LYS 13 1HE LYS 13 0.427 7.418 4.094 141 1HZ LYS 13 1HZ LYS 13 0.885 6.731 1.967 142 2HZ LYS 13 2HZ LYS 13 0.587 8.382 1.693 143 3HZ LYS 13 3HZ LYS 13 -0.616 7.230 1.353 144 1HN NH2 14 1HN NH2 14 -1.415 4.717 7.443 145 2HN NH2 14 2HN NH2 14 -0.580 4.524 8.905 Start of MODEL 12 1 1H ILE 1 1HT ILE 1 -6.819 3.768 2.905 2 2H ILE 1 2HT ILE 1 -6.086 3.391 4.391 3 3H ILE 1 3HT ILE 1 -7.632 4.096 4.357 4 HA ILE 1 HA ILE 1 -6.858 1.319 3.984 5 HB ILE 1 HB ILE 1 -9.287 2.892 4.895 6 1HG1 ILE 1 2HG1 ILE 1 -8.024 1.306 6.922 7 2HG1 ILE 1 1HG1 ILE 1 -6.786 2.275 6.122 8 1HG2 ILE 1 1HG2 ILE 1 -9.878 0.610 5.929 9 2HG2 ILE 1 2HG2 ILE 1 -8.705 -0.072 4.804 10 3HG2 ILE 1 3HG2 ILE 1 -10.122 0.781 4.191 11 1HD1 ILE 1 1HD1 ILE 1 -8.880 3.124 7.948 12 2HD1 ILE 1 2HD1 ILE 1 -8.962 4.014 6.428 13 3HD1 ILE 1 3HD1 ILE 1 -7.473 4.020 7.372 14 H LEU 2 H LEU 2 -8.575 -0.073 2.861 15 HA LEU 2 HA LEU 2 -9.811 -0.632 0.925 16 1HB LEU 2 2HB LEU 2 -10.826 1.705 1.936 17 2HB LEU 2 1HB LEU 2 -10.389 2.204 0.300 18 HG LEU 2 HG LEU 2 -11.571 -0.235 -0.153 19 1HD1 LEU 2 1HD1 LEU 2 -12.290 0.452 2.478 20 2HD1 LEU 2 2HD1 LEU 2 -13.040 -0.782 1.466 21 3HD1 LEU 2 3HD1 LEU 2 -13.696 0.856 1.492 22 1HD2 LEU 2 1HD2 LEU 2 -13.360 1.041 -1.115 23 2HD2 LEU 2 2HD2 LEU 2 -11.913 2.039 -1.259 24 3HD2 LEU 2 3HD2 LEU 2 -13.094 2.377 0.006 25 H LYS 3 H LYS 3 -8.114 -1.288 -0.409 26 HA LYS 3 HA LYS 3 -7.538 0.242 -2.758 27 1HB LYS 3 2HB LYS 3 -5.082 0.688 -2.109 28 2HB LYS 3 1HB LYS 3 -6.298 1.719 -1.356 29 1HG LYS 3 2HG LYS 3 -6.305 0.206 0.628 30 2HG LYS 3 1HG LYS 3 -5.007 -0.729 -0.117 31 1HD LYS 3 2HD LYS 3 -4.660 2.234 0.167 32 2HD LYS 3 1HD LYS 3 -4.443 1.214 1.589 33 1HE LYS 3 2HE LYS 3 -2.359 0.717 0.859 34 2HE LYS 3 1HE LYS 3 -3.077 -0.059 -0.567 35 1HZ LYS 3 1HZ LYS 3 -2.004 1.628 -1.614 36 2HZ LYS 3 2HZ LYS 3 -2.029 2.649 -0.258 37 3HZ LYS 3 3HZ LYS 3 -3.420 2.473 -1.217 38 H LYS 4 H LYS 4 -8.140 -2.144 -3.166 39 HA LYS 4 HA LYS 4 -7.585 -4.406 -3.511 40 1HB LYS 4 2HB LYS 4 -5.161 -3.117 -4.728 41 2HB LYS 4 1HB LYS 4 -6.190 -4.384 -5.376 42 1HG LYS 4 2HG LYS 4 -7.961 -2.298 -5.072 43 2HG LYS 4 1HG LYS 4 -6.483 -1.479 -5.578 44 1HD LYS 4 2HD LYS 4 -6.716 -2.227 -7.688 45 2HD LYS 4 1HD LYS 4 -6.876 -3.891 -7.128 46 1HE LYS 4 2HE LYS 4 -9.290 -3.413 -6.583 47 2HE LYS 4 1HE LYS 4 -9.094 -1.829 -7.360 48 1HZ LYS 4 1HZ LYS 4 -8.550 -4.471 -8.613 49 2HZ LYS 4 2HZ LYS 4 -8.280 -2.964 -9.349 50 3HZ LYS 4 3HZ LYS 4 -9.862 -3.455 -8.968 51 H TRP 5 H TRP 5 -7.056 -4.438 -1.059 52 HA TRP 5 HA TRP 5 -5.656 -5.261 0.665 53 1HB TRP 5 2HB TRP 5 -4.791 -6.474 -1.921 54 2HB TRP 5 1HB TRP 5 -3.749 -6.728 -0.522 55 HD1 TRP 5 HD TRP 5 -6.646 -8.186 -2.174 56 HE1 TRP 5 1HE TRP 5 -7.916 -9.783 -0.599 57 HE3 TRP 5 3HE TRP 5 -4.547 -6.871 2.285 58 HZ2 TRP 5 2HZ TRP 5 -8.027 -10.419 2.190 59 HZ3 TRP 5 3HZ TRP 5 -5.250 -7.985 4.386 60 HH2 TRP 5 HH TRP 5 -6.987 -9.755 4.344 61 HA PRO 6 HA PRO 6 -2.612 -1.940 0.368 62 1HB PRO 6 2HB PRO 6 -2.423 -1.566 3.071 63 2HB PRO 6 1HB PRO 6 -3.722 -0.869 2.083 64 1HG PRO 6 2HG PRO 6 -3.761 -3.275 3.833 65 2HG PRO 6 1HG PRO 6 -5.011 -2.050 3.569 66 1HD PRO 6 2HD PRO 6 -5.045 -4.522 2.406 67 2HD PRO 6 1HD PRO 6 -5.815 -3.086 1.695 68 H TRP 7 H TRP 7 -1.096 -3.659 -0.369 69 HA TRP 7 HA TRP 7 0.655 -4.640 1.861 70 1HB TRP 7 2HB TRP 7 -0.769 -5.993 -0.272 71 2HB TRP 7 1HB TRP 7 0.962 -6.304 -0.382 72 HD1 TRP 7 HD TRP 7 -2.084 -7.064 1.695 73 HE1 TRP 7 1HE TRP 7 -1.452 -8.697 3.587 74 HE3 TRP 7 3HE TRP 7 3.004 -7.000 1.254 75 HZ2 TRP 7 2HZ TRP 7 0.900 -9.827 4.759 76 HZ3 TRP 7 3HZ TRP 7 4.414 -8.362 2.770 77 HH2 TRP 7 HH TRP 7 3.369 -9.775 4.519 78 H TRP 8 H TRP 8 1.333 -2.244 0.948 79 HA TRP 8 HA TRP 8 3.421 -2.681 -1.142 80 1HB TRP 8 2HB TRP 8 1.386 -1.038 -1.373 81 2HB TRP 8 1HB TRP 8 2.335 -0.006 -0.302 82 HD1 TRP 8 HD TRP 8 4.133 1.431 -1.399 83 HE1 TRP 8 1HE TRP 8 5.259 1.509 -3.717 84 HE3 TRP 8 3HE TRP 8 2.133 -2.774 -3.491 85 HZ2 TRP 8 2HZ TRP 8 5.303 -0.013 -6.140 86 HZ3 TRP 8 3HZ TRP 8 2.732 -3.437 -5.803 87 HH2 TRP 8 HH TRP 8 4.314 -2.063 -7.128 88 HA PRO 9 HA PRO 9 5.972 -1.791 2.441 89 1HB PRO 9 2HB PRO 9 8.189 -3.077 1.503 90 2HB PRO 9 1HB PRO 9 6.825 -3.926 2.250 91 1HG PRO 9 2HG PRO 9 7.627 -3.792 -0.570 92 2HG PRO 9 1HG PRO 9 6.665 -5.011 0.275 93 1HD PRO 9 2HD PRO 9 5.722 -2.918 -1.404 94 2HD PRO 9 1HD PRO 9 4.753 -4.070 -0.461 95 H TRP 10 H TRP 10 5.612 -0.025 0.036 96 HA TRP 10 HA TRP 10 8.367 1.062 -0.263 97 1HB TRP 10 2HB TRP 10 6.322 0.417 -2.045 98 2HB TRP 10 1HB TRP 10 6.266 2.172 -1.947 99 HD1 TRP 10 HD TRP 10 8.835 3.365 -2.189 100 HE1 TRP 10 1HE TRP 10 10.666 2.740 -3.902 101 HE3 TRP 10 3HE TRP 10 7.263 -1.293 -3.443 102 HZ2 TRP 10 2HZ TRP 10 11.362 0.523 -5.592 103 HZ3 TRP 10 3HZ TRP 10 8.513 -2.660 -5.106 104 HH2 TRP 10 HH TRP 10 10.558 -1.754 -6.179 105 H ARG 11 H ARG 11 4.994 2.076 0.254 106 HA ARG 11 HA ARG 11 6.020 4.573 1.548 107 1HB ARG 11 2HB ARG 11 3.918 3.946 -0.429 108 2HB ARG 11 1HB ARG 11 3.401 5.045 0.848 109 1HG ARG 11 2HG ARG 11 6.066 5.593 -0.339 110 2HG ARG 11 1HG ARG 11 4.674 5.889 -1.382 111 1HD ARG 11 2HD ARG 11 3.692 7.128 0.721 112 2HD ARG 11 1HD ARG 11 5.392 7.214 1.223 113 HE ARG 11 HE ARG 11 5.768 8.144 -1.182 114 1HH1 ARG 11 1HH2 ARG 11 3.446 9.014 1.143 115 2HH1 ARG 11 2HH2 ARG 11 2.728 10.266 0.187 116 1HH2 ARG 11 1HH1 ARG 11 4.608 9.550 -2.637 117 2HH2 ARG 11 2HH1 ARG 11 3.387 10.570 -1.955 118 H ARG 12 H ARG 12 6.031 2.640 3.285 119 HA ARG 12 HA ARG 12 4.058 3.299 5.260 120 1HB ARG 12 2HB ARG 12 2.992 1.794 3.275 121 2HB ARG 12 1HB ARG 12 3.585 0.512 4.332 122 1HG ARG 12 2HG ARG 12 1.664 0.803 5.494 123 2HG ARG 12 1HG ARG 12 2.411 2.279 6.109 124 1HD ARG 12 2HD ARG 12 1.481 3.445 4.014 125 2HD ARG 12 1HD ARG 12 0.479 1.995 3.796 126 HE ARG 12 HE ARG 12 -0.351 2.403 6.154 127 1HH1 ARG 12 1HH2 ARG 12 -1.042 4.609 4.039 128 2HH1 ARG 12 2HH2 ARG 12 -0.859 6.022 5.025 129 1HH2 ARG 12 1HH1 ARG 12 0.817 4.361 7.564 130 2HH2 ARG 12 2HH1 ARG 12 0.193 5.881 7.020 131 H LYS 13 H LYS 13 6.341 3.318 6.178 132 HA LYS 13 HA LYS 13 7.478 0.634 6.753 133 1HB LYS 13 2HB LYS 13 8.424 3.446 7.403 134 2HB LYS 13 1HB LYS 13 9.381 1.973 7.553 135 1HG LYS 13 2HG LYS 13 8.737 1.651 5.015 136 2HG LYS 13 1HG LYS 13 8.477 3.394 5.072 137 1HD LYS 13 2HD LYS 13 10.880 3.143 6.381 138 2HD LYS 13 1HD LYS 13 10.995 1.873 5.161 139 1HE LYS 13 2HE LYS 13 10.212 3.645 3.464 140 2HE LYS 13 1HE LYS 13 10.571 4.839 4.728 141 1HZ LYS 13 1HZ LYS 13 12.786 3.858 4.951 142 2HZ LYS 13 2HZ LYS 13 12.528 4.450 3.379 143 3HZ LYS 13 3HZ LYS 13 12.446 2.781 3.684 144 1HN NH2 14 1HN NH2 14 4.908 1.410 8.060 145 2HN NH2 14 2HN NH2 14 5.216 1.462 9.729
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