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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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5002 |
1g89 ![]() ![]() |
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 1H ILE 1 -18.474 2.497 2.107 2 2H ILE 1 2H ILE 1 -18.512 2.690 3.795 3 3H ILE 1 3H ILE 1 -17.750 1.335 3.109 4 HA ILE 1 HA ILE 1 -16.813 4.077 2.500 5 HB ILE 1 HB ILE 1 -15.175 3.534 4.423 6 1HG1 ILE 1 2HG1 ILE 1 -17.448 1.667 5.175 7 2HG1 ILE 1 1HG1 ILE 1 -15.884 1.128 4.563 8 1HG2 ILE 1 1HG2 ILE 1 -17.872 3.835 5.622 9 2HG2 ILE 1 2HG2 ILE 1 -17.473 4.982 4.343 10 3HG2 ILE 1 3HG2 ILE 1 -16.450 4.867 5.775 11 1HD1 ILE 1 1HD1 ILE 1 -16.497 1.564 7.229 12 2HD1 ILE 1 2HD1 ILE 1 -15.640 3.036 6.772 13 3HD1 ILE 1 3HD1 ILE 1 -14.870 1.464 6.556 14 H LEU 2 H LEU 2 -14.383 3.866 2.081 15 HA LEU 2 HA LEU 2 -13.702 2.226 -0.020 16 1HB LEU 2 2HB LEU 2 -11.364 2.580 0.735 17 2HB LEU 2 1HB LEU 2 -12.327 4.046 0.931 18 HG LEU 2 HG LEU 2 -12.664 2.558 3.314 19 1HD1 LEU 2 1HD1 LEU 2 -10.044 2.739 3.865 20 2HD1 LEU 2 2HD1 LEU 2 -9.926 2.372 2.144 21 3HD1 LEU 2 3HD1 LEU 2 -10.762 1.260 3.226 22 1HD2 LEU 2 1HD2 LEU 2 -11.275 4.505 4.230 23 2HD2 LEU 2 2HD2 LEU 2 -12.705 4.949 3.298 24 3HD2 LEU 2 3HD2 LEU 2 -11.106 5.041 2.558 25 HA PRO 3 HA PRO 3 -13.618 -1.883 1.569 26 1HB PRO 3 2HB PRO 3 -12.037 -3.036 -0.343 27 2HB PRO 3 1HB PRO 3 -13.727 -2.580 -0.634 28 1HG PRO 3 2HG PRO 3 -11.226 -1.174 -1.416 29 2HG PRO 3 1HG PRO 3 -12.748 -1.350 -2.302 30 1HD PRO 3 2HD PRO 3 -12.026 0.918 -0.954 31 2HD PRO 3 1HD PRO 3 -13.711 0.442 -1.262 32 H TRP 4 H TRP 4 -11.592 -3.685 1.612 33 HA TRP 4 HA TRP 4 -9.245 -2.256 2.816 34 1HB TRP 4 2HB TRP 4 -9.789 -4.810 4.064 35 2HB TRP 4 1HB TRP 4 -9.668 -3.223 4.811 36 HD1 TRP 4 HD1 TRP 4 -12.234 -5.489 3.049 37 HE1 TRP 4 1HE TRP 4 -14.590 -4.845 3.876 38 HE3 TRP 4 3HE TRP 4 -11.079 -1.441 5.938 39 HZ2 TRP 4 2HZ TRP 4 -15.822 -2.872 5.543 40 HZ3 TRP 4 3HZ TRP 4 -12.859 -0.198 7.132 41 HH2 TRP 4 HH2 TRP 4 -15.227 -0.907 6.939 42 H LYS 5 H LYS 5 -9.164 -3.127 0.228 43 HA LYS 5 HA LYS 5 -7.500 -5.610 0.385 44 1HB LYS 5 2HB LYS 5 -9.809 -4.810 -1.244 45 2HB LYS 5 1HB LYS 5 -8.465 -5.448 -2.188 46 1HG LYS 5 2HG LYS 5 -8.733 -7.556 -1.371 47 2HG LYS 5 1HG LYS 5 -9.065 -6.976 0.262 48 1HD LYS 5 2HD LYS 5 -11.023 -6.938 -2.054 49 2HD LYS 5 1HD LYS 5 -11.058 -8.065 -0.699 50 1HE LYS 5 2HE LYS 5 -12.164 -6.559 0.580 51 2HE LYS 5 1HE LYS 5 -10.923 -5.328 0.267 52 1HZ LYS 5 1HZ LYS 5 -12.988 -6.099 -1.719 53 2HZ LYS 5 2HZ LYS 5 -11.924 -4.776 -1.791 54 3HZ LYS 5 3HZ LYS 5 -13.181 -4.798 -0.648 55 H TRP 6 H TRP 6 -7.135 -2.490 0.194 56 HA TRP 6 HA TRP 6 -5.801 -1.870 -2.226 57 1HB TRP 6 2HB TRP 6 -6.652 -0.250 -0.649 58 2HB TRP 6 1HB TRP 6 -5.603 -0.859 0.615 59 HD1 TRP 6 HD1 TRP 6 -3.018 -0.508 0.289 60 HE1 TRP 6 1HE TRP 6 -1.713 1.374 -0.952 61 HE3 TRP 6 3HE TRP 6 -6.735 1.221 -2.569 62 HZ2 TRP 6 2HZ TRP 6 -2.274 3.380 -2.965 63 HZ3 TRP 6 3HZ TRP 6 -6.398 3.114 -4.167 64 HH2 TRP 6 HH2 TRP 6 -4.165 4.190 -4.364 65 HA PRO 7 HA PRO 7 -1.986 -3.956 -1.463 66 1HB PRO 7 2HB PRO 7 -0.586 -2.925 -3.576 67 2HB PRO 7 1HB PRO 7 -1.886 -4.117 -3.754 68 1HG PRO 7 2HG PRO 7 -1.866 -1.280 -4.444 69 2HG PRO 7 1HG PRO 7 -2.973 -2.552 -4.966 70 1HD PRO 7 2HD PRO 7 -3.371 -0.548 -2.927 71 2HD PRO 7 1HD PRO 7 -4.523 -1.753 -3.541 72 H TRP 8 H TRP 8 0.578 -3.191 -1.892 73 HA TRP 8 HA TRP 8 2.258 -2.274 -0.494 74 1HB TRP 8 2HB TRP 8 1.172 0.220 -1.772 75 2HB TRP 8 1HB TRP 8 2.844 -0.295 -1.580 76 HD1 TRP 8 HD1 TRP 8 -0.035 -0.487 -3.903 77 HE1 TRP 8 1HE TRP 8 0.574 -1.910 -5.970 78 HE3 TRP 8 3HE TRP 8 4.312 -2.532 -2.267 79 HZ2 TRP 8 2HZ TRP 8 2.652 -3.700 -6.801 80 HZ3 TRP 8 3HZ TRP 8 5.598 -4.097 -3.700 81 HH2 TRP 8 HH2 TRP 8 4.771 -4.686 -5.962 82 H TRP 9 H TRP 9 1.291 -2.553 1.641 83 HA TRP 9 HA TRP 9 -0.545 -1.029 2.995 84 1HB TRP 9 2HB TRP 9 0.486 -2.789 4.141 85 2HB TRP 9 1HB TRP 9 2.103 -2.212 3.753 86 HD1 TRP 9 HD1 TRP 9 2.943 -0.012 5.044 87 HE1 TRP 9 1HE TRP 9 2.374 0.861 7.406 88 HE3 TRP 9 3HE TRP 9 -1.334 -2.601 5.883 89 HZ2 TRP 9 2HZ TRP 9 0.336 0.491 9.395 90 HZ3 TRP 9 3HZ TRP 9 -2.588 -2.339 8.011 91 HH2 TRP 9 HH2 TRP 9 -1.759 -0.792 9.765 92 HA PRO 10 HA PRO 10 1.196 3.027 3.081 93 1HB PRO 10 2HB PRO 10 -0.698 4.154 4.702 94 2HB PRO 10 1HB PRO 10 -1.014 3.698 3.017 95 1HG PRO 10 2HG PRO 10 -2.008 2.487 5.466 96 2HG PRO 10 1HG PRO 10 -2.555 2.259 3.801 97 1HD PRO 10 2HD PRO 10 -0.819 0.570 5.401 98 2HD PRO 10 1HD PRO 10 -1.561 0.225 3.826 99 H TRP 11 H TRP 11 3.098 3.272 4.278 100 HA TRP 11 HA TRP 11 2.963 2.990 7.229 101 1HB TRP 11 2HB TRP 11 5.417 2.663 6.942 102 2HB TRP 11 1HB TRP 11 4.474 1.510 6.018 103 HD1 TRP 11 HD1 TRP 11 6.283 4.858 5.541 104 HE1 TRP 11 1HE TRP 11 7.064 4.989 3.072 105 HE3 TRP 11 3HE TRP 11 4.196 0.611 3.819 106 HZ2 TRP 11 2HZ TRP 11 6.801 3.430 0.658 107 HZ3 TRP 11 3HZ TRP 11 4.445 -0.086 1.437 108 HH2 TRP 11 HH2 TRP 11 5.746 1.325 -0.142 109 H ARG 12 H ARG 12 5.100 4.480 7.971 110 HA ARG 12 HA ARG 12 4.152 7.218 7.695 111 1HB ARG 12 2HB ARG 12 5.127 6.183 9.754 112 2HB ARG 12 1HB ARG 12 6.683 6.085 8.929 113 1HG ARG 12 2HG ARG 12 6.992 8.391 8.943 114 2HG ARG 12 1HG ARG 12 5.263 8.723 9.043 115 1HD ARG 12 2HD ARG 12 5.531 8.989 11.279 116 2HD ARG 12 1HD ARG 12 5.897 7.255 11.378 117 HE ARG 12 HE ARG 12 8.297 8.075 10.643 118 1HH1 ARG 12 2HH1 ARG 12 7.794 10.954 10.943 119 2HH1 ARG 12 1HH1 ARG 12 8.235 11.264 12.590 120 1HH2 ARG 12 1HH2 ARG 12 8.119 7.926 13.526 121 2HH2 ARG 12 2HH2 ARG 12 8.419 9.550 14.052 122 H ARG 13 H ARG 13 4.711 6.498 5.125 123 HA ARG 13 HA ARG 13 7.336 6.781 4.128 124 1HB ARG 13 2HB ARG 13 6.191 7.361 2.045 125 2HB ARG 13 1HB ARG 13 5.257 6.126 2.892 126 1HG ARG 13 2HG ARG 13 3.900 8.019 3.914 127 2HG ARG 13 1HG ARG 13 4.702 9.098 2.774 128 1HD ARG 13 2HD ARG 13 3.819 6.885 1.244 129 2HD ARG 13 1HD ARG 13 2.462 7.340 2.295 130 HE ARG 13 HE ARG 13 3.561 9.751 1.340 131 1HH1 ARG 13 1HH2 ARG 13 0.726 9.220 0.892 132 2HH1 ARG 13 2HH2 ARG 13 0.620 8.994 -0.822 133 1HH2 ARG 13 1HH1 ARG 13 4.023 8.460 -1.227 134 2HH2 ARG 13 2HH1 ARG 13 2.487 8.563 -2.022 135 1HN NH2 14 1HT ARG 13 5.207 9.247 5.477 136 2HN NH2 14 2HT ARG 13 6.214 10.574 5.156 Start of MODEL 2 1 1H ILE 1 1H ILE 1 -20.054 -0.020 0.212 2 2H ILE 1 2H ILE 1 -19.727 -0.148 1.875 3 3H ILE 1 3H ILE 1 -18.740 -0.949 0.748 4 HA ILE 1 HA ILE 1 -18.171 1.324 -0.174 5 HB ILE 1 HB ILE 1 -19.252 2.168 2.506 6 1HG1 ILE 1 2HG1 ILE 1 -21.107 1.215 1.151 7 2HG1 ILE 1 1HG1 ILE 1 -21.271 2.959 1.353 8 1HG2 ILE 1 1HG2 ILE 1 -19.390 4.349 1.008 9 2HG2 ILE 1 2HG2 ILE 1 -18.181 3.497 0.048 10 3HG2 ILE 1 3HG2 ILE 1 -17.863 3.862 1.743 11 1HD1 ILE 1 1HD1 ILE 1 -19.767 1.937 -1.025 12 2HD1 ILE 1 2HD1 ILE 1 -20.721 3.409 -0.856 13 3HD1 ILE 1 3HD1 ILE 1 -21.528 1.852 -1.043 14 H LEU 2 H LEU 2 -16.195 2.356 0.740 15 HA LEU 2 HA LEU 2 -14.125 2.205 1.873 16 1HB LEU 2 2HB LEU 2 -15.902 0.990 4.013 17 2HB LEU 2 1HB LEU 2 -14.358 1.808 4.263 18 HG LEU 2 HG LEU 2 -16.860 3.091 3.123 19 1HD1 LEU 2 1HD1 LEU 2 -17.391 3.072 5.353 20 2HD1 LEU 2 2HD1 LEU 2 -16.290 4.449 5.396 21 3HD1 LEU 2 3HD1 LEU 2 -15.716 2.847 5.856 22 1HD2 LEU 2 1HD2 LEU 2 -15.375 5.179 3.647 23 2HD2 LEU 2 2HD2 LEU 2 -15.058 4.262 2.173 24 3HD2 LEU 2 3HD2 LEU 2 -14.036 4.032 3.592 25 HA PRO 3 HA PRO 3 -13.781 -2.247 0.786 26 1HB PRO 3 2HB PRO 3 -11.583 -1.929 -0.815 27 2HB PRO 3 1HB PRO 3 -13.246 -1.715 -1.402 28 1HG PRO 3 2HG PRO 3 -11.235 0.334 -0.624 29 2HG PRO 3 1HG PRO 3 -12.423 0.357 -1.937 30 1HD PRO 3 2HD PRO 3 -12.742 1.694 0.428 31 2HD PRO 3 1HD PRO 3 -14.092 1.136 -0.586 32 H TRP 4 H TRP 4 -11.438 -3.486 0.775 33 HA TRP 4 HA TRP 4 -9.535 -2.349 2.718 34 1HB TRP 4 2HB TRP 4 -10.415 -4.964 3.649 35 2HB TRP 4 1HB TRP 4 -10.270 -3.459 4.548 36 HD1 TRP 4 HD1 TRP 4 -12.731 -5.299 2.224 37 HE1 TRP 4 1HE TRP 4 -15.122 -4.512 2.788 38 HE3 TRP 4 3HE TRP 4 -11.680 -1.682 5.671 39 HZ2 TRP 4 2HZ TRP 4 -16.417 -2.600 4.479 40 HZ3 TRP 4 3HZ TRP 4 -13.507 -0.394 6.742 41 HH2 TRP 4 HH2 TRP 4 -15.872 -0.848 6.151 42 H LYS 5 H LYS 5 -9.058 -3.061 0.124 43 HA LYS 5 HA LYS 5 -7.418 -5.542 0.414 44 1HB LYS 5 2HB LYS 5 -9.659 -4.898 -1.342 45 2HB LYS 5 1HB LYS 5 -8.228 -5.394 -2.239 46 1HG LYS 5 2HG LYS 5 -8.105 -7.481 -1.080 47 2HG LYS 5 1HG LYS 5 -9.270 -6.949 0.133 48 1HD LYS 5 2HD LYS 5 -11.041 -7.490 -1.170 49 2HD LYS 5 1HD LYS 5 -10.304 -6.783 -2.608 50 1HE LYS 5 2HE LYS 5 -9.138 -9.338 -1.562 51 2HE LYS 5 1HE LYS 5 -10.676 -9.414 -2.446 52 1HZ LYS 5 1HZ LYS 5 -9.234 -9.407 -4.197 53 2HZ LYS 5 2HZ LYS 5 -8.043 -8.521 -3.371 54 3HZ LYS 5 3HZ LYS 5 -9.411 -7.733 -3.997 55 H TRP 6 H TRP 6 -7.086 -2.444 0.257 56 HA TRP 6 HA TRP 6 -5.699 -1.705 -2.076 57 1HB TRP 6 2HB TRP 6 -6.513 -0.172 -0.406 58 2HB TRP 6 1HB TRP 6 -5.502 -0.894 0.826 59 HD1 TRP 6 HD1 TRP 6 -2.895 -0.598 0.553 60 HE1 TRP 6 1HE TRP 6 -1.530 1.336 -0.530 61 HE3 TRP 6 3HE TRP 6 -6.529 1.432 -2.216 62 HZ2 TRP 6 2HZ TRP 6 -2.011 3.499 -2.396 63 HZ3 TRP 6 3HZ TRP 6 -6.123 3.428 -3.667 64 HH2 TRP 6 HH2 TRP 6 -3.861 4.457 -3.756 65 HA PRO 7 HA PRO 7 -1.927 -3.919 -1.429 66 1HB PRO 7 2HB PRO 7 -0.548 -2.862 -3.544 67 2HB PRO 7 1HB PRO 7 -1.874 -4.023 -3.728 68 1HG PRO 7 2HG PRO 7 -1.810 -1.174 -4.356 69 2HG PRO 7 1HG PRO 7 -2.961 -2.409 -4.874 70 1HD PRO 7 2HD PRO 7 -3.243 -0.440 -2.772 71 2HD PRO 7 1HD PRO 7 -4.452 -1.582 -3.399 72 H TRP 8 H TRP 8 0.644 -3.173 -1.889 73 HA TRP 8 HA TRP 8 2.360 -2.304 -0.512 74 1HB TRP 8 2HB TRP 8 1.240 0.205 -1.738 75 2HB TRP 8 1HB TRP 8 2.921 -0.278 -1.544 76 HD1 TRP 8 HD1 TRP 8 0.087 -0.464 -3.908 77 HE1 TRP 8 1HE TRP 8 0.723 -1.880 -5.969 78 HE3 TRP 8 3HE TRP 8 4.391 -2.545 -2.204 79 HZ2 TRP 8 2HZ TRP 8 2.807 -3.678 -6.773 80 HZ3 TRP 8 3HZ TRP 8 5.693 -4.111 -3.620 81 HH2 TRP 8 HH2 TRP 8 4.902 -4.684 -5.901 82 H TRP 9 H TRP 9 1.535 -2.594 1.641 83 HA TRP 9 HA TRP 9 -0.277 -1.200 3.134 84 1HB TRP 9 2HB TRP 9 0.967 -2.871 4.197 85 2HB TRP 9 1HB TRP 9 2.502 -2.175 3.692 86 HD1 TRP 9 HD1 TRP 9 3.256 0.100 4.919 87 HE1 TRP 9 1HE TRP 9 2.806 0.925 7.322 88 HE3 TRP 9 3HE TRP 9 -0.710 -2.839 6.080 89 HZ2 TRP 9 2HZ TRP 9 0.972 0.385 9.466 90 HZ3 TRP 9 3HZ TRP 9 -1.806 -2.680 8.303 91 HH2 TRP 9 HH2 TRP 9 -0.971 -1.068 9.994 92 HA PRO 10 HA PRO 10 1.132 2.980 3.112 93 1HB PRO 10 2HB PRO 10 -0.714 3.952 4.882 94 2HB PRO 10 1HB PRO 10 -1.123 3.469 3.226 95 1HG PRO 10 2HG PRO 10 -1.819 2.184 5.739 96 2HG PRO 10 1HG PRO 10 -2.475 1.910 4.120 97 1HD PRO 10 2HD PRO 10 -0.488 0.371 5.571 98 2HD PRO 10 1HD PRO 10 -1.319 -0.035 4.057 99 H TRP 11 H TRP 11 3.110 3.339 4.147 100 HA TRP 11 HA TRP 11 3.228 3.101 7.103 101 1HB TRP 11 2HB TRP 11 5.664 2.933 6.631 102 2HB TRP 11 1HB TRP 11 4.740 1.715 5.776 103 HD1 TRP 11 HD1 TRP 11 6.255 5.188 5.165 104 HE1 TRP 11 1HE TRP 11 6.854 5.351 2.647 105 HE3 TRP 11 3HE TRP 11 4.390 0.776 3.613 106 HZ2 TRP 11 2HZ TRP 11 6.548 3.750 0.265 107 HZ3 TRP 11 3HZ TRP 11 4.530 0.073 1.223 108 HH2 TRP 11 HH2 TRP 11 5.606 1.562 -0.449 109 H ARG 12 H ARG 12 5.323 4.751 7.637 110 HA ARG 12 HA ARG 12 4.157 7.408 7.436 111 1HB ARG 12 2HB ARG 12 5.542 6.289 9.319 112 2HB ARG 12 1HB ARG 12 6.951 6.698 8.340 113 1HG ARG 12 2HG ARG 12 6.557 9.016 8.526 114 2HG ARG 12 1HG ARG 12 4.880 8.780 9.022 115 1HD ARG 12 2HD ARG 12 5.741 9.140 11.126 116 2HD ARG 12 1HD ARG 12 6.201 7.429 11.007 117 HE ARG 12 HE ARG 12 8.013 9.735 10.532 118 1HH1 ARG 12 2HH1 ARG 12 7.732 6.713 11.886 119 2HH1 ARG 12 1HH1 ARG 12 9.245 6.100 11.305 120 1HH2 ARG 12 1HH2 ARG 12 9.834 8.797 9.209 121 2HH2 ARG 12 2HH2 ARG 12 10.434 7.280 9.789 122 H ARG 13 H ARG 13 4.504 6.681 4.823 123 HA ARG 13 HA ARG 13 7.017 7.198 3.600 124 1HB ARG 13 2HB ARG 13 4.914 6.208 2.607 125 2HB ARG 13 1HB ARG 13 4.243 7.839 2.547 126 1HG ARG 13 2HG ARG 13 6.951 7.525 1.381 127 2HG ARG 13 1HG ARG 13 5.644 6.732 0.502 128 1HD ARG 13 2HD ARG 13 4.387 9.012 0.788 129 2HD ARG 13 1HD ARG 13 6.012 9.665 1.084 130 HE ARG 13 HE ARG 13 5.754 7.913 -1.275 131 1HH1 ARG 13 1HH2 ARG 13 5.058 11.077 -0.222 132 2HH1 ARG 13 2HH2 ARG 13 5.796 11.855 -1.583 133 1HH2 ARG 13 1HH1 ARG 13 7.044 8.911 -2.928 134 2HH2 ARG 13 2HH1 ARG 13 6.920 10.630 -3.115 135 1HN NH2 14 1HT ARG 13 7.663 9.236 2.409 136 2HN NH2 14 2HT ARG 13 7.198 10.747 3.026 Start of MODEL 3 1 1H ILE 1 1H ILE 1 -18.624 1.966 2.557 2 2H ILE 1 2H ILE 1 -18.102 0.734 1.510 3 3H ILE 1 3H ILE 1 -19.104 1.978 0.930 4 HA ILE 1 HA ILE 1 -16.887 2.443 0.189 5 HB ILE 1 HB ILE 1 -16.712 4.659 1.237 6 1HG1 ILE 1 2HG1 ILE 1 -18.820 3.926 3.236 7 2HG1 ILE 1 1HG1 ILE 1 -17.147 3.485 3.584 8 1HG2 ILE 1 1HG2 ILE 1 -18.736 3.911 -0.234 9 2HG2 ILE 1 2HG2 ILE 1 -18.851 5.433 0.650 10 3HG2 ILE 1 3HG2 ILE 1 -19.648 3.989 1.274 11 1HD1 ILE 1 1HD1 ILE 1 -17.782 6.272 2.662 12 2HD1 ILE 1 2HD1 ILE 1 -16.434 5.707 3.649 13 3HD1 ILE 1 3HD1 ILE 1 -18.047 5.832 4.349 14 H LEU 2 H LEU 2 -14.671 3.235 1.043 15 HA LEU 2 HA LEU 2 -12.698 2.782 2.263 16 1HB LEU 2 2HB LEU 2 -14.637 1.992 4.453 17 2HB LEU 2 1HB LEU 2 -13.013 2.654 4.642 18 HG LEU 2 HG LEU 2 -15.276 4.153 3.299 19 1HD1 LEU 2 1HD1 LEU 2 -14.874 3.593 6.078 20 2HD1 LEU 2 2HD1 LEU 2 -16.092 4.633 5.339 21 3HD1 LEU 2 3HD1 LEU 2 -14.524 5.299 5.801 22 1HD2 LEU 2 1HD2 LEU 2 -13.678 5.664 2.806 23 2HD2 LEU 2 2HD2 LEU 2 -12.467 4.546 3.435 24 3HD2 LEU 2 3HD2 LEU 2 -13.196 5.745 4.500 25 HA PRO 3 HA PRO 3 -13.430 -1.740 1.484 26 1HB PRO 3 2HB PRO 3 -11.567 -1.981 -0.505 27 2HB PRO 3 1HB PRO 3 -13.251 -1.513 -0.813 28 1HG PRO 3 2HG PRO 3 -10.814 0.185 -0.652 29 2HG PRO 3 1HG PRO 3 -12.212 0.313 -1.732 30 1HD PRO 3 2HD PRO 3 -11.844 1.892 0.468 31 2HD PRO 3 1HD PRO 3 -13.438 1.501 -0.213 32 H TRP 4 H TRP 4 -11.372 -3.393 1.216 33 HA TRP 4 HA TRP 4 -9.061 -2.416 2.820 34 1HB TRP 4 2HB TRP 4 -10.086 -5.018 3.713 35 2HB TRP 4 1HB TRP 4 -9.582 -3.632 4.670 36 HD1 TRP 4 HD1 TRP 4 -12.616 -4.864 2.637 37 HE1 TRP 4 1HE TRP 4 -14.749 -3.827 3.656 38 HE3 TRP 4 3HE TRP 4 -10.520 -1.847 6.182 39 HZ2 TRP 4 2HZ TRP 4 -15.467 -1.962 5.706 40 HZ3 TRP 4 3HZ TRP 4 -11.948 -0.452 7.653 41 HH2 TRP 4 HH2 TRP 4 -14.416 -0.507 7.419 42 H LYS 5 H LYS 5 -9.023 -3.053 0.140 43 HA LYS 5 HA LYS 5 -7.566 -5.662 0.118 44 1HB LYS 5 2HB LYS 5 -9.854 -4.635 -1.410 45 2HB LYS 5 1HB LYS 5 -8.579 -5.315 -2.417 46 1HG LYS 5 2HG LYS 5 -8.677 -7.423 -1.267 47 2HG LYS 5 1HG LYS 5 -9.714 -6.751 -0.007 48 1HD LYS 5 2HD LYS 5 -11.389 -7.657 -1.264 49 2HD LYS 5 1HD LYS 5 -11.197 -6.182 -2.215 50 1HE LYS 5 2HE LYS 5 -10.686 -7.483 -4.000 51 2HE LYS 5 1HE LYS 5 -9.216 -7.992 -3.147 52 1HZ LYS 5 1HZ LYS 5 -10.562 -9.919 -3.598 53 2HZ LYS 5 2HZ LYS 5 -11.922 -9.193 -2.883 54 3HZ LYS 5 3HZ LYS 5 -10.582 -9.619 -1.929 55 H TRP 6 H TRP 6 -7.061 -2.535 0.026 56 HA TRP 6 HA TRP 6 -5.668 -1.987 -2.402 57 1HB TRP 6 2HB TRP 6 -6.568 -0.312 -0.904 58 2HB TRP 6 1HB TRP 6 -5.561 -0.881 0.408 59 HD1 TRP 6 HD1 TRP 6 -2.967 -0.538 0.159 60 HE1 TRP 6 1HE TRP 6 -1.620 1.291 -1.115 61 HE3 TRP 6 3HE TRP 6 -6.587 1.075 -2.887 62 HZ2 TRP 6 2HZ TRP 6 -2.111 3.216 -3.224 63 HZ3 TRP 6 3HZ TRP 6 -6.196 2.902 -4.549 64 HH2 TRP 6 HH2 TRP 6 -3.956 3.968 -4.717 65 HA PRO 7 HA PRO 7 -1.904 -4.070 -1.420 66 1HB PRO 7 2HB PRO 7 -0.411 -3.112 -3.505 67 2HB PRO 7 1HB PRO 7 -1.709 -4.303 -3.700 68 1HG PRO 7 2HG PRO 7 -1.644 -1.486 -4.473 69 2HG PRO 7 1HG PRO 7 -2.734 -2.769 -5.005 70 1HD PRO 7 2HD PRO 7 -3.211 -0.703 -3.048 71 2HD PRO 7 1HD PRO 7 -4.339 -1.927 -3.669 72 H TRP 8 H TRP 8 0.681 -3.334 -1.767 73 HA TRP 8 HA TRP 8 2.308 -2.380 -0.329 74 1HB TRP 8 2HB TRP 8 1.291 0.078 -1.728 75 2HB TRP 8 1HB TRP 8 2.950 -0.436 -1.448 76 HD1 TRP 8 HD1 TRP 8 0.172 -0.692 -3.887 77 HE1 TRP 8 1HE TRP 8 0.861 -2.181 -5.879 78 HE3 TRP 8 3HE TRP 8 4.435 -2.699 -2.002 79 HZ2 TRP 8 2HZ TRP 8 2.967 -4.002 -6.565 80 HZ3 TRP 8 3HZ TRP 8 5.774 -4.313 -3.326 81 HH2 TRP 8 HH2 TRP 8 5.042 -4.970 -5.604 82 H TRP 9 H TRP 9 1.248 -2.590 1.771 83 HA TRP 9 HA TRP 9 -0.636 -1.018 3.000 84 1HB TRP 9 2HB TRP 9 0.344 -2.751 4.235 85 2HB TRP 9 1HB TRP 9 1.977 -2.181 3.907 86 HD1 TRP 9 HD1 TRP 9 2.755 0.048 5.183 87 HE1 TRP 9 1HE TRP 9 2.075 0.983 7.486 88 HE3 TRP 9 3HE TRP 9 -1.562 -2.514 5.878 89 HZ2 TRP 9 2HZ TRP 9 -0.060 0.667 9.385 90 HZ3 TRP 9 3HZ TRP 9 -2.919 -2.196 7.933 91 HH2 TRP 9 HH2 TRP 9 -2.173 -0.604 9.685 92 HA PRO 10 HA PRO 10 1.117 3.031 3.027 93 1HB PRO 10 2HB PRO 10 -0.831 4.217 4.538 94 2HB PRO 10 1HB PRO 10 -1.085 3.707 2.859 95 1HG PRO 10 2HG PRO 10 -2.175 2.578 5.308 96 2HG PRO 10 1HG PRO 10 -2.660 2.302 3.632 97 1HD PRO 10 2HD PRO 10 -0.998 0.653 5.343 98 2HD PRO 10 1HD PRO 10 -1.678 0.267 3.750 99 H TRP 11 H TRP 11 2.992 3.232 4.278 100 HA TRP 11 HA TRP 11 2.748 3.109 7.234 101 1HB TRP 11 2HB TRP 11 5.204 2.726 7.046 102 2HB TRP 11 1HB TRP 11 4.270 1.548 6.144 103 HD1 TRP 11 HD1 TRP 11 6.140 4.850 5.565 104 HE1 TRP 11 1HE TRP 11 7.014 4.840 3.123 105 HE3 TRP 11 3HE TRP 11 4.073 0.535 3.996 106 HZ2 TRP 11 2HZ TRP 11 6.823 3.156 0.787 107 HZ3 TRP 11 3HZ TRP 11 4.402 -0.292 1.665 108 HH2 TRP 11 HH2 TRP 11 5.775 1.020 0.063 109 H ARG 12 H ARG 12 4.916 4.597 7.950 110 HA ARG 12 HA ARG 12 4.013 7.329 7.583 111 1HB ARG 12 2HB ARG 12 5.053 6.309 9.640 112 2HB ARG 12 1HB ARG 12 6.589 6.255 8.772 113 1HG ARG 12 2HG ARG 12 6.260 8.768 8.361 114 2HG ARG 12 1HG ARG 12 4.997 8.689 9.589 115 1HD ARG 12 2HD ARG 12 7.434 7.336 10.468 116 2HD ARG 12 1HD ARG 12 7.713 9.049 10.098 117 HE ARG 12 HE ARG 12 5.493 8.137 11.891 118 1HH1 ARG 12 1HH2 ARG 12 8.422 9.201 12.576 119 2HH1 ARG 12 2HH2 ARG 12 7.995 10.768 13.176 120 1HH2 ARG 12 2HH1 ARG 12 4.747 10.637 11.969 121 2HH2 ARG 12 1HH1 ARG 12 5.914 11.581 12.832 122 H ARG 13 H ARG 13 4.485 6.531 5.026 123 HA ARG 13 HA ARG 13 7.126 6.812 3.995 124 1HB ARG 13 2HB ARG 13 5.321 5.885 2.691 125 2HB ARG 13 1HB ARG 13 4.359 7.353 2.881 126 1HG ARG 13 2HG ARG 13 6.969 7.959 1.759 127 2HG ARG 13 1HG ARG 13 6.117 6.768 0.774 128 1HD ARG 13 2HD ARG 13 4.459 9.043 1.724 129 2HD ARG 13 1HD ARG 13 5.702 9.440 0.521 130 HE ARG 13 HE ARG 13 4.632 7.959 -1.034 131 1HH1 ARG 13 1HH2 ARG 13 3.944 5.657 0.634 132 2HH1 ARG 13 2HH2 ARG 13 2.223 5.774 0.794 133 1HH2 ARG 13 1HH1 ARG 13 2.091 9.094 -0.196 134 2HH2 ARG 13 2HH1 ARG 13 1.175 7.720 0.323 135 1HN NH2 14 1HT ARG 13 8.046 8.714 5.183 136 2HN NH2 14 2HT ARG 13 7.625 10.293 4.723 Start of MODEL 4 1 1H ILE 1 1H ILE 1 -18.975 -1.278 1.903 2 2H ILE 1 2H ILE 1 -19.768 0.050 1.200 3 3H ILE 1 3H ILE 1 -20.319 -0.592 2.674 4 HA ILE 1 HA ILE 1 -18.969 1.544 2.812 5 HB ILE 1 HB ILE 1 -17.738 0.468 4.813 6 1HG1 ILE 1 2HG1 ILE 1 -19.295 -1.951 3.849 7 2HG1 ILE 1 1HG1 ILE 1 -17.548 -1.772 3.679 8 1HG2 ILE 1 1HG2 ILE 1 -20.207 1.363 4.616 9 2HG2 ILE 1 2HG2 ILE 1 -19.726 0.435 6.037 10 3HG2 ILE 1 3HG2 ILE 1 -20.629 -0.345 4.737 11 1HD1 ILE 1 1HD1 ILE 1 -17.348 -2.641 5.749 12 2HD1 ILE 1 2HD1 ILE 1 -19.090 -2.555 6.014 13 3HD1 ILE 1 3HD1 ILE 1 -18.073 -1.156 6.364 14 H LEU 2 H LEU 2 -16.605 2.091 3.287 15 HA LEU 2 HA LEU 2 -14.909 1.899 1.129 16 1HB LEU 2 2HB LEU 2 -13.132 2.414 2.727 17 2HB LEU 2 1HB LEU 2 -14.615 3.222 3.238 18 HG LEU 2 HG LEU 2 -14.859 0.791 4.485 19 1HD1 LEU 2 1HD1 LEU 2 -12.253 1.151 5.516 20 2HD1 LEU 2 2HD1 LEU 2 -12.081 1.120 3.760 21 3HD1 LEU 2 3HD1 LEU 2 -12.854 -0.228 4.593 22 1HD2 LEU 2 1HD2 LEU 2 -13.788 2.159 6.477 23 2HD2 LEU 2 2HD2 LEU 2 -15.310 2.690 5.762 24 3HD2 LEU 2 3HD2 LEU 2 -13.799 3.479 5.307 25 HA PRO 3 HA PRO 3 -13.797 -2.370 0.897 26 1HB PRO 3 2HB PRO 3 -11.660 -2.108 -0.793 27 2HB PRO 3 1HB PRO 3 -13.343 -1.976 -1.338 28 1HG PRO 3 2HG PRO 3 -11.365 0.171 -0.767 29 2HG PRO 3 1HG PRO 3 -12.595 0.075 -2.037 30 1HD PRO 3 2HD PRO 3 -12.874 1.561 0.241 31 2HD PRO 3 1HD PRO 3 -14.240 0.903 -0.686 32 H TRP 4 H TRP 4 -11.310 -3.458 0.780 33 HA TRP 4 HA TRP 4 -9.429 -2.176 2.618 34 1HB TRP 4 2HB TRP 4 -11.300 -2.983 4.067 35 2HB TRP 4 1HB TRP 4 -11.006 -4.619 3.478 36 HD1 TRP 4 HD1 TRP 4 -8.963 -5.925 4.424 37 HE1 TRP 4 1HE TRP 4 -7.282 -5.459 6.323 38 HE3 TRP 4 3HE TRP 4 -9.982 -1.001 5.317 39 HZ2 TRP 4 2HZ TRP 4 -6.476 -3.286 7.998 40 HZ3 TRP 4 3HZ TRP 4 -8.745 0.242 7.068 41 HH2 TRP 4 HH2 TRP 4 -6.995 -0.893 8.409 42 H LYS 5 H LYS 5 -9.161 -3.199 0.027 43 HA LYS 5 HA LYS 5 -7.421 -5.587 0.484 44 1HB LYS 5 2HB LYS 5 -9.657 -5.029 -1.328 45 2HB LYS 5 1HB LYS 5 -8.230 -5.658 -2.150 46 1HG LYS 5 2HG LYS 5 -8.673 -7.722 -1.381 47 2HG LYS 5 1HG LYS 5 -8.606 -7.126 0.278 48 1HD LYS 5 2HD LYS 5 -10.800 -7.818 0.258 49 2HD LYS 5 1HD LYS 5 -11.030 -6.191 -0.385 50 1HE LYS 5 2HE LYS 5 -10.331 -8.070 -2.505 51 2HE LYS 5 1HE LYS 5 -11.804 -8.565 -1.647 52 1HZ LYS 5 1HZ LYS 5 -11.402 -5.729 -2.312 53 2HZ LYS 5 2HZ LYS 5 -12.852 -6.589 -2.100 54 3HZ LYS 5 3HZ LYS 5 -11.945 -6.784 -3.524 55 H TRP 6 H TRP 6 -7.143 -2.489 0.094 56 HA TRP 6 HA TRP 6 -5.736 -1.931 -2.283 57 1HB TRP 6 2HB TRP 6 -6.617 -0.273 -0.767 58 2HB TRP 6 1HB TRP 6 -5.603 -0.854 0.536 59 HD1 TRP 6 HD1 TRP 6 -3.006 -0.521 0.265 60 HE1 TRP 6 1HE TRP 6 -1.667 1.334 -0.980 61 HE3 TRP 6 3HE TRP 6 -6.649 1.164 -2.714 62 HZ2 TRP 6 2HZ TRP 6 -2.173 3.306 -3.043 63 HZ3 TRP 6 3HZ TRP 6 -6.269 3.027 -4.339 64 HH2 TRP 6 HH2 TRP 6 -4.029 4.093 -4.501 65 HA PRO 7 HA PRO 7 -1.933 -3.993 -1.395 66 1HB PRO 7 2HB PRO 7 -0.500 -3.025 -3.514 67 2HB PRO 7 1HB PRO 7 -1.798 -4.220 -3.678 68 1HG PRO 7 2HG PRO 7 -1.763 -1.403 -4.449 69 2HG PRO 7 1HG PRO 7 -2.862 -2.688 -4.954 70 1HD PRO 7 2HD PRO 7 -3.288 -0.626 -2.978 71 2HD PRO 7 1HD PRO 7 -4.433 -1.845 -3.577 72 H TRP 8 H TRP 8 0.635 -3.244 -1.804 73 HA TRP 8 HA TRP 8 2.295 -2.282 -0.416 74 1HB TRP 8 2HB TRP 8 1.213 0.148 -1.821 75 2HB TRP 8 1HB TRP 8 2.887 -0.323 -1.550 76 HD1 TRP 8 HD1 TRP 8 0.115 -0.654 -3.975 77 HE1 TRP 8 1HE TRP 8 0.811 -2.177 -5.938 78 HE3 TRP 8 3HE TRP 8 4.384 -2.610 -2.050 79 HZ2 TRP 8 2HZ TRP 8 2.922 -4.005 -6.587 80 HZ3 TRP 8 3HZ TRP 8 5.729 -4.245 -3.343 81 HH2 TRP 8 HH2 TRP 8 5.000 -4.948 -5.608 82 H TRP 9 H TRP 9 1.306 -2.479 1.717 83 HA TRP 9 HA TRP 9 -0.538 -0.835 2.956 84 1HB TRP 9 2HB TRP 9 0.325 -2.637 4.171 85 2HB TRP 9 1HB TRP 9 1.991 -2.175 3.843 86 HD1 TRP 9 HD1 TRP 9 2.921 -0.011 5.137 87 HE1 TRP 9 1HE TRP 9 2.314 0.939 7.458 88 HE3 TRP 9 3HE TRP 9 -1.549 -2.300 5.832 89 HZ2 TRP 9 2HZ TRP 9 0.176 0.740 9.364 90 HZ3 TRP 9 3HZ TRP 9 -2.869 -1.918 7.901 91 HH2 TRP 9 HH2 TRP 9 -2.012 -0.397 9.665 92 HA PRO 10 HA PRO 10 1.467 3.099 3.058 93 1HB PRO 10 2HB PRO 10 -0.417 4.378 4.575 94 2HB PRO 10 1HB PRO 10 -0.689 3.914 2.886 95 1HG PRO 10 2HG PRO 10 -1.868 2.815 5.305 96 2HG PRO 10 1HG PRO 10 -2.355 2.594 3.621 97 1HD PRO 10 2HD PRO 10 -0.807 0.824 5.324 98 2HD PRO 10 1HD PRO 10 -1.502 0.499 3.724 99 H TRP 11 H TRP 11 3.335 3.200 4.337 100 HA TRP 11 HA TRP 11 3.052 2.981 7.281 101 1HB TRP 11 2HB TRP 11 5.505 2.538 7.097 102 2HB TRP 11 1HB TRP 11 4.536 1.411 6.169 103 HD1 TRP 11 HD1 TRP 11 6.514 4.657 5.669 104 HE1 TRP 11 1HE TRP 11 7.388 4.682 3.227 105 HE3 TRP 11 3HE TRP 11 4.298 0.460 3.986 106 HZ2 TRP 11 2HZ TRP 11 7.139 3.068 0.849 107 HZ3 TRP 11 3HZ TRP 11 4.600 -0.314 1.634 108 HH2 TRP 11 HH2 TRP 11 6.017 0.991 0.067 109 H ARG 12 H ARG 12 5.208 4.366 8.123 110 HA ARG 12 HA ARG 12 5.680 6.587 8.809 111 1HB ARG 12 2HB ARG 12 7.235 6.007 7.013 112 2HB ARG 12 1HB ARG 12 6.058 6.523 5.807 113 1HG ARG 12 2HG ARG 12 6.150 8.753 7.318 114 2HG ARG 12 1HG ARG 12 7.786 8.152 7.585 115 1HD ARG 12 2HD ARG 12 7.850 9.598 5.631 116 2HD ARG 12 1HD ARG 12 7.995 7.928 5.050 117 HE ARG 12 HE ARG 12 5.438 8.045 4.758 118 1HH1 ARG 12 2HH1 ARG 12 6.929 9.444 2.559 119 2HH1 ARG 12 1HH1 ARG 12 6.129 10.979 2.501 120 1HH2 ARG 12 1HH2 ARG 12 4.637 10.616 5.610 121 2HH2 ARG 12 2HH2 ARG 12 4.831 11.642 4.229 122 H ARG 13 H ARG 13 3.238 6.938 9.239 123 HA ARG 13 HA ARG 13 2.306 9.206 7.528 124 1HB ARG 13 2HB ARG 13 1.207 6.547 7.776 125 2HB ARG 13 1HB ARG 13 0.046 7.724 8.388 126 1HG ARG 13 2HG ARG 13 -0.368 8.547 6.322 127 2HG ARG 13 1HG ARG 13 1.348 8.601 5.915 128 1HD ARG 13 2HD ARG 13 1.341 6.464 5.009 129 2HD ARG 13 1HD ARG 13 0.018 5.915 6.057 130 HE ARG 13 HE ARG 13 -1.514 6.768 4.469 131 1HH1 ARG 13 1HH1 ARG 13 -0.384 9.567 4.512 132 2HH1 ARG 13 2HH1 ARG 13 0.100 9.775 2.862 133 1HH2 ARG 13 1HH2 ARG 13 -0.021 6.389 2.124 134 2HH2 ARG 13 2HH2 ARG 13 0.305 7.975 1.510 135 1HN NH2 14 1HT ARG 13 0.560 10.507 8.753 136 2HN NH2 14 2HT ARG 13 0.660 10.579 10.447 Start of MODEL 5 1 1H ILE 1 1H ILE 1 -18.410 -0.755 0.724 2 2H ILE 1 2H ILE 1 -18.925 0.720 0.055 3 3H ILE 1 3H ILE 1 -19.918 -0.110 1.156 4 HA ILE 1 HA ILE 1 -18.627 1.886 2.052 5 HB ILE 1 HB ILE 1 -18.139 0.432 4.134 6 1HG1 ILE 1 2HG1 ILE 1 -19.370 -1.676 2.329 7 2HG1 ILE 1 1HG1 ILE 1 -17.668 -1.633 2.793 8 1HG2 ILE 1 1HG2 ILE 1 -20.286 0.918 4.603 9 2HG2 ILE 1 2HG2 ILE 1 -20.845 -0.352 3.515 10 3HG2 ILE 1 3HG2 ILE 1 -20.545 1.270 2.894 11 1HD1 ILE 1 1HD1 ILE 1 -18.585 -1.542 5.233 12 2HD1 ILE 1 2HD1 ILE 1 -18.594 -3.089 4.385 13 3HD1 ILE 1 3HD1 ILE 1 -20.079 -2.146 4.519 14 H LEU 2 H LEU 2 -16.538 2.278 3.212 15 HA LEU 2 HA LEU 2 -14.240 2.150 1.702 16 1HB LEU 2 2HB LEU 2 -13.058 2.431 3.839 17 2HB LEU 2 1HB LEU 2 -14.579 3.321 3.877 18 HG LEU 2 HG LEU 2 -15.311 0.804 4.779 19 1HD1 LEU 2 1HD1 LEU 2 -12.534 0.881 4.992 20 2HD1 LEU 2 2HD1 LEU 2 -13.611 -0.200 5.877 21 3HD1 LEU 2 3HD1 LEU 2 -13.092 1.318 6.608 22 1HD2 LEU 2 1HD2 LEU 2 -14.444 3.220 6.403 23 2HD2 LEU 2 2HD2 LEU 2 -15.501 1.926 6.969 24 3HD2 LEU 2 3HD2 LEU 2 -16.033 2.997 5.672 25 HA PRO 3 HA PRO 3 -13.814 -2.357 1.669 26 1HB PRO 3 2HB PRO 3 -12.173 -2.406 -0.522 27 2HB PRO 3 1HB PRO 3 -13.940 -2.288 -0.641 28 1HG PRO 3 2HG PRO 3 -11.880 -0.153 -0.876 29 2HG PRO 3 1HG PRO 3 -13.381 -0.381 -1.790 30 1HD PRO 3 2HD PRO 3 -13.117 1.416 0.245 31 2HD PRO 3 1HD PRO 3 -14.659 0.655 -0.199 32 H TRP 4 H TRP 4 -11.567 -3.649 1.338 33 HA TRP 4 HA TRP 4 -9.273 -2.135 2.447 34 1HB TRP 4 2HB TRP 4 -9.125 -4.082 4.173 35 2HB TRP 4 1HB TRP 4 -10.243 -2.753 4.469 36 HD1 TRP 4 HD1 TRP 4 -10.115 -6.439 3.731 37 HE1 TRP 4 1HE TRP 4 -12.510 -7.407 3.793 38 HE3 TRP 4 3HE TRP 4 -12.775 -2.113 3.957 39 HZ2 TRP 4 2HZ TRP 4 -15.213 -6.447 3.918 40 HZ3 TRP 4 3HZ TRP 4 -15.257 -2.151 4.046 41 HH2 TRP 4 HH2 TRP 4 -16.476 -4.311 4.024 42 H LYS 5 H LYS 5 -9.063 -2.986 0.001 43 HA LYS 5 HA LYS 5 -7.561 -5.568 0.149 44 1HB LYS 5 2HB LYS 5 -9.830 -4.696 -1.471 45 2HB LYS 5 1HB LYS 5 -8.491 -5.283 -2.457 46 1HG LYS 5 2HG LYS 5 -9.895 -6.761 -0.216 47 2HG LYS 5 1HG LYS 5 -9.897 -7.179 -1.929 48 1HD LYS 5 2HD LYS 5 -7.178 -6.948 -1.051 49 2HD LYS 5 1HD LYS 5 -8.041 -8.005 0.067 50 1HE LYS 5 2HE LYS 5 -9.003 -8.941 -2.303 51 2HE LYS 5 1HE LYS 5 -7.372 -8.438 -2.791 52 1HZ LYS 5 1HZ LYS 5 -8.082 -10.193 -0.502 53 2HZ LYS 5 2HZ LYS 5 -6.520 -9.591 -0.794 54 3HZ LYS 5 3HZ LYS 5 -7.247 -10.649 -1.907 55 H TRP 6 H TRP 6 -7.054 -2.463 -0.015 56 HA TRP 6 HA TRP 6 -5.607 -1.958 -2.418 57 1HB TRP 6 2HB TRP 6 -6.521 -0.256 -0.958 58 2HB TRP 6 1HB TRP 6 -5.537 -0.813 0.378 59 HD1 TRP 6 HD1 TRP 6 -2.939 -0.495 0.163 60 HE1 TRP 6 1HE TRP 6 -1.556 1.304 -1.116 61 HE3 TRP 6 3HE TRP 6 -6.494 1.100 -2.964 62 HZ2 TRP 6 2HZ TRP 6 -1.996 3.198 -3.264 63 HZ3 TRP 6 3HZ TRP 6 -6.062 2.897 -4.649 64 HH2 TRP 6 HH2 TRP 6 -3.810 3.941 -4.797 65 HA PRO 7 HA PRO 7 -1.882 -4.062 -1.334 66 1HB PRO 7 2HB PRO 7 -0.349 -3.165 -3.417 67 2HB PRO 7 1HB PRO 7 -1.659 -4.344 -3.605 68 1HG PRO 7 2HG PRO 7 -1.548 -1.545 -4.435 69 2HG PRO 7 1HG PRO 7 -2.644 -2.827 -4.958 70 1HD PRO 7 2HD PRO 7 -3.128 -0.715 -3.051 71 2HD PRO 7 1HD PRO 7 -4.261 -1.938 -3.665 72 H TRP 8 H TRP 8 0.710 -3.367 -1.656 73 HA TRP 8 HA TRP 8 2.330 -2.406 -0.221 74 1HB TRP 8 2HB TRP 8 1.368 0.029 -1.699 75 2HB TRP 8 1HB TRP 8 3.016 -0.496 -1.373 76 HD1 TRP 8 HD1 TRP 8 0.290 -0.780 -3.862 77 HE1 TRP 8 1HE TRP 8 0.996 -2.338 -5.794 78 HE3 TRP 8 3HE TRP 8 4.474 -2.805 -1.825 79 HZ2 TRP 8 2HZ TRP 8 3.082 -4.213 -6.380 80 HZ3 TRP 8 3HZ TRP 8 5.812 -4.479 -3.073 81 HH2 TRP 8 HH2 TRP 8 5.119 -5.189 -5.347 82 H TRP 9 H TRP 9 1.238 -2.543 1.872 83 HA TRP 9 HA TRP 9 -0.618 -0.862 3.020 84 1HB TRP 9 2HB TRP 9 0.213 -2.603 4.331 85 2HB TRP 9 1HB TRP 9 1.888 -2.183 3.990 86 HD1 TRP 9 HD1 TRP 9 2.830 0.049 5.177 87 HE1 TRP 9 1HE TRP 9 2.246 1.082 7.469 88 HE3 TRP 9 3HE TRP 9 -1.631 -2.216 6.003 89 HZ2 TRP 9 2HZ TRP 9 0.127 0.952 9.403 90 HZ3 TRP 9 3HZ TRP 9 -2.930 -1.759 8.070 91 HH2 TRP 9 HH2 TRP 9 -2.057 -0.172 9.767 92 HA PRO 10 HA PRO 10 1.350 3.086 3.025 93 1HB PRO 10 2HB PRO 10 -0.535 4.395 4.514 94 2HB PRO 10 1HB PRO 10 -0.809 3.883 2.840 95 1HG PRO 10 2HG PRO 10 -1.973 2.841 5.293 96 2HG PRO 10 1HG PRO 10 -2.468 2.577 3.618 97 1HD PRO 10 2HD PRO 10 -0.911 0.854 5.353 98 2HD PRO 10 1HD PRO 10 -1.600 0.490 3.758 99 H TRP 11 H TRP 11 3.234 3.153 4.288 100 HA TRP 11 HA TRP 11 2.979 3.061 7.240 101 1HB TRP 11 2HB TRP 11 5.425 2.595 7.048 102 2HB TRP 11 1HB TRP 11 4.447 1.451 6.147 103 HD1 TRP 11 HD1 TRP 11 6.388 4.712 5.552 104 HE1 TRP 11 1HE TRP 11 7.255 4.671 3.107 105 HE3 TRP 11 3HE TRP 11 4.237 0.426 4.015 106 HZ2 TRP 11 2HZ TRP 11 7.025 2.977 0.782 107 HZ3 TRP 11 3HZ TRP 11 4.544 -0.421 1.686 108 HH2 TRP 11 HH2 TRP 11 5.935 0.857 0.073 109 H ARG 12 H ARG 12 5.170 4.457 7.997 110 HA ARG 12 HA ARG 12 5.050 7.130 6.687 111 1HB ARG 12 2HB ARG 12 3.658 6.388 8.995 112 2HB ARG 12 1HB ARG 12 5.073 7.249 9.601 113 1HG ARG 12 2HG ARG 12 4.507 9.003 7.766 114 2HG ARG 12 1HG ARG 12 2.916 8.240 7.750 115 1HD ARG 12 2HD ARG 12 2.424 8.909 9.939 116 2HD ARG 12 1HD ARG 12 4.137 9.058 10.380 117 HE ARG 12 HE ARG 12 2.573 11.044 8.841 118 1HH1 ARG 12 2HH1 ARG 12 4.238 11.803 11.191 119 2HH1 ARG 12 1HH1 ARG 12 5.659 12.458 10.446 120 1HH2 ARG 12 1HH2 ARG 12 5.002 11.055 7.343 121 2HH2 ARG 12 2HH2 ARG 12 6.092 12.034 8.269 122 H ARG 13 H ARG 13 7.261 6.316 6.014 123 HA ARG 13 HA ARG 13 9.379 5.602 7.694 124 1HB ARG 13 2HB ARG 13 8.969 6.347 5.046 125 2HB ARG 13 1HB ARG 13 10.101 7.564 5.639 126 1HG ARG 13 2HG ARG 13 10.637 4.722 6.375 127 2HG ARG 13 1HG ARG 13 10.942 5.200 4.703 128 1HD ARG 13 2HD ARG 13 12.111 7.287 5.970 129 2HD ARG 13 1HD ARG 13 12.365 6.018 7.184 130 HE ARG 13 HE ARG 13 13.485 6.042 4.458 131 1HH1 ARG 13 1HH2 ARG 13 12.011 3.455 5.591 132 2HH1 ARG 13 2HH2 ARG 13 13.408 2.528 6.026 133 1HH2 ARG 13 1HH1 ARG 13 15.597 5.206 5.757 134 2HH2 ARG 13 2HH1 ARG 13 15.439 3.518 6.121 135 1HN NH2 14 1HT ARG 13 11.333 7.246 8.178 136 2HN NH2 14 2HT ARG 13 10.889 8.698 8.937 Start of MODEL 6 1 1H ILE 1 1H ILE 1 -18.987 -3.127 -0.647 2 2H ILE 1 2H ILE 1 -20.512 -3.204 0.097 3 3H ILE 1 3H ILE 1 -19.125 -3.693 0.946 4 HA ILE 1 HA ILE 1 -19.981 -0.951 0.245 5 HB ILE 1 HB ILE 1 -18.815 -1.927 2.822 6 1HG1 ILE 1 2HG1 ILE 1 -21.585 -2.585 1.781 7 2HG1 ILE 1 1HG1 ILE 1 -20.366 -3.714 2.372 8 1HG2 ILE 1 1HG2 ILE 1 -21.290 -0.334 2.749 9 2HG2 ILE 1 2HG2 ILE 1 -19.910 0.442 1.974 10 3HG2 ILE 1 3HG2 ILE 1 -19.804 -0.064 3.661 11 1HD1 ILE 1 1HD1 ILE 1 -20.551 -2.811 4.625 12 2HD1 ILE 1 2HD1 ILE 1 -22.161 -3.251 4.053 13 3HD1 ILE 1 3HD1 ILE 1 -21.660 -1.560 4.067 14 H LEU 2 H LEU 2 -18.048 0.269 1.918 15 HA LEU 2 HA LEU 2 -15.918 0.907 0.295 16 1HB LEU 2 2HB LEU 2 -14.737 1.420 2.448 17 2HB LEU 2 1HB LEU 2 -16.411 1.969 2.441 18 HG LEU 2 HG LEU 2 -16.271 -0.768 3.355 19 1HD1 LEU 2 1HD1 LEU 2 -15.096 0.730 5.521 20 2HD1 LEU 2 2HD1 LEU 2 -14.031 0.786 4.116 21 3HD1 LEU 2 3HD1 LEU 2 -14.531 -0.768 4.783 22 1HD2 LEU 2 1HD2 LEU 2 -18.134 0.782 3.771 23 2HD2 LEU 2 2HD2 LEU 2 -17.063 1.841 4.690 24 3HD2 LEU 2 3HD2 LEU 2 -17.449 0.231 5.300 25 HA PRO 3 HA PRO 3 -13.649 -2.867 -0.111 26 1HB PRO 3 2HB PRO 3 -11.367 -1.792 -1.178 27 2HB PRO 3 1HB PRO 3 -12.862 -2.008 -2.110 28 1HG PRO 3 2HG PRO 3 -11.776 0.448 -0.820 29 2HG PRO 3 1HG PRO 3 -12.579 0.258 -2.386 30 1HD PRO 3 2HD PRO 3 -13.844 1.225 -0.186 31 2HD PRO 3 1HD PRO 3 -14.678 0.321 -1.467 32 H TRP 4 H TRP 4 -11.301 -3.597 0.501 33 HA TRP 4 HA TRP 4 -9.958 -2.092 2.617 34 1HB TRP 4 2HB TRP 4 -12.034 -3.036 3.678 35 2HB TRP 4 1HB TRP 4 -11.445 -4.649 3.280 36 HD1 TRP 4 HD1 TRP 4 -9.480 -5.639 4.696 37 HE1 TRP 4 1HE TRP 4 -8.337 -4.895 6.885 38 HE3 TRP 4 3HE TRP 4 -11.310 -0.887 5.075 39 HZ2 TRP 4 2HZ TRP 4 -8.214 -2.588 8.571 40 HZ3 TRP 4 3HZ TRP 4 -10.665 0.560 6.980 41 HH2 TRP 4 HH2 TRP 4 -9.121 -0.284 8.727 42 H LYS 5 H LYS 5 -9.148 -3.231 0.162 43 HA LYS 5 HA LYS 5 -7.247 -5.338 1.103 44 1HB LYS 5 2HB LYS 5 -9.276 -5.279 -1.007 45 2HB LYS 5 1HB LYS 5 -7.687 -5.771 -1.587 46 1HG LYS 5 2HG LYS 5 -7.894 -7.784 -0.604 47 2HG LYS 5 1HG LYS 5 -8.238 -7.026 0.950 48 1HD LYS 5 2HD LYS 5 -10.277 -8.017 0.681 49 2HD LYS 5 1HD LYS 5 -10.597 -6.600 -0.320 50 1HE LYS 5 2HE LYS 5 -10.851 -7.929 -2.134 51 2HE LYS 5 1HE LYS 5 -9.213 -8.572 -1.904 52 1HZ LYS 5 1HZ LYS 5 -11.568 -9.440 -0.319 53 2HZ LYS 5 2HZ LYS 5 -10.014 -10.129 -0.309 54 3HZ LYS 5 3HZ LYS 5 -11.001 -10.271 -1.684 55 H TRP 6 H TRP 6 -7.225 -2.307 0.478 56 HA TRP 6 HA TRP 6 -5.830 -1.517 -1.732 57 1HB TRP 6 2HB TRP 6 -6.529 -0.023 -0.015 58 2HB TRP 6 1HB TRP 6 -5.559 -0.841 1.192 59 HD1 TRP 6 HD1 TRP 6 -2.941 -0.654 0.937 60 HE1 TRP 6 1HE TRP 6 -1.487 1.274 -0.036 61 HE3 TRP 6 3HE TRP 6 -6.472 1.685 -1.724 62 HZ2 TRP 6 2HZ TRP 6 -1.864 3.553 -1.783 63 HZ3 TRP 6 3HZ TRP 6 -5.970 3.735 -3.064 64 HH2 TRP 6 HH2 TRP 6 -3.664 4.664 -3.092 65 HA PRO 7 HA PRO 7 -2.034 -3.763 -1.375 66 1HB PRO 7 2HB PRO 7 -0.849 -2.726 -3.627 67 2HB PRO 7 1HB PRO 7 -2.167 -3.909 -3.667 68 1HG PRO 7 2HG PRO 7 -2.198 -1.090 -4.387 69 2HG PRO 7 1HG PRO 7 -3.397 -2.343 -4.721 70 1HD PRO 7 2HD PRO 7 -3.421 -0.306 -2.653 71 2HD PRO 7 1HD PRO 7 -4.715 -1.420 -3.145 72 H TRP 8 H TRP 8 0.501 -2.908 -2.147 73 HA TRP 8 HA TRP 8 2.327 -2.006 -0.936 74 1HB TRP 8 2HB TRP 8 1.049 0.576 -1.730 75 2HB TRP 8 1HB TRP 8 2.701 0.021 -1.971 76 HD1 TRP 8 HD1 TRP 8 -0.692 0.018 -3.530 77 HE1 TRP 8 1HE TRP 8 -0.588 -1.076 -5.866 78 HE3 TRP 8 3HE TRP 8 3.993 -1.922 -3.344 79 HZ2 TRP 8 2HZ TRP 8 1.264 -2.595 -7.439 80 HZ3 TRP 8 3HZ TRP 8 4.919 -3.196 -5.262 81 HH2 TRP 8 HH2 TRP 8 3.557 -3.538 -7.308 82 H TRP 9 H TRP 9 1.669 -2.533 1.270 83 HA TRP 9 HA TRP 9 -0.015 -1.336 3.034 84 1HB TRP 9 2HB TRP 9 1.378 -3.003 3.870 85 2HB TRP 9 1HB TRP 9 2.832 -2.239 3.234 86 HD1 TRP 9 HD1 TRP 9 3.671 -0.016 4.499 87 HE1 TRP 9 1HE TRP 9 3.494 0.653 6.988 88 HE3 TRP 9 3HE TRP 9 -0.068 -3.125 5.934 89 HZ2 TRP 9 2HZ TRP 9 1.936 -0.059 9.293 90 HZ3 TRP 9 3HZ TRP 9 -0.898 -3.125 8.276 91 HH2 TRP 9 HH2 TRP 9 0.098 -1.592 9.953 92 HA PRO 10 HA PRO 10 1.191 2.897 3.208 93 1HB PRO 10 2HB PRO 10 -0.511 3.638 5.216 94 2HB PRO 10 1HB PRO 10 -1.061 3.263 3.573 95 1HG PRO 10 2HG PRO 10 -1.444 1.753 6.031 96 2HG PRO 10 1HG PRO 10 -2.256 1.583 4.471 97 1HD PRO 10 2HD PRO 10 -0.086 0.012 5.573 98 2HD PRO 10 1HD PRO 10 -1.039 -0.289 4.108 99 H TRP 11 H TRP 11 3.122 3.538 4.125 100 HA TRP 11 HA TRP 11 3.641 2.892 6.979 101 1HB TRP 11 2HB TRP 11 6.010 3.105 6.206 102 2HB TRP 11 1HB TRP 11 5.118 1.869 5.343 103 HD1 TRP 11 HD1 TRP 11 6.188 5.525 4.958 104 HE1 TRP 11 1HE TRP 11 6.372 6.035 2.422 105 HE3 TRP 11 3HE TRP 11 4.488 1.146 3.134 106 HZ2 TRP 11 2HZ TRP 11 5.833 4.697 -0.076 107 HZ3 TRP 11 3HZ TRP 11 4.311 0.745 0.680 108 HH2 TRP 11 HH2 TRP 11 4.982 2.520 -0.923 109 H ARG 12 H ARG 12 5.590 4.691 7.532 110 HA ARG 12 HA ARG 12 4.148 7.186 7.863 111 1HB ARG 12 2HB ARG 12 5.725 6.197 9.504 112 2HB ARG 12 1HB ARG 12 7.043 6.422 8.353 113 1HG ARG 12 2HG ARG 12 6.929 8.776 8.496 114 2HG ARG 12 1HG ARG 12 5.318 8.739 9.218 115 1HD ARG 12 2HD ARG 12 6.438 7.479 11.189 116 2HD ARG 12 1HD ARG 12 7.968 8.071 10.512 117 HE ARG 12 HE ARG 12 5.752 9.804 11.501 118 1HH1 ARG 12 1HH2 ARG 12 8.965 9.300 11.897 119 2HH1 ARG 12 2HH2 ARG 12 9.482 10.914 11.542 120 1HH2 ARG 12 2HH1 ARG 12 6.391 11.921 10.334 121 2HH2 ARG 12 1HH1 ARG 12 8.025 12.399 10.658 122 H ARG 13 H ARG 13 4.217 6.886 5.140 123 HA ARG 13 HA ARG 13 6.486 7.893 3.750 124 1HB ARG 13 2HB ARG 13 4.547 6.804 2.706 125 2HB ARG 13 1HB ARG 13 3.511 8.145 3.196 126 1HG ARG 13 2HG ARG 13 4.219 8.360 0.829 127 2HG ARG 13 1HG ARG 13 4.826 9.692 1.815 128 1HD ARG 13 2HD ARG 13 7.003 8.464 2.054 129 2HD ARG 13 1HD ARG 13 6.388 7.242 0.924 130 HE ARG 13 HE ARG 13 5.968 9.333 -0.609 131 1HH1 ARG 13 1HH1 ARG 13 7.587 10.820 1.661 132 2HH1 ARG 13 2HH1 ARG 13 9.096 11.023 0.837 133 1HH2 ARG 13 1HH2 ARG 13 8.324 8.772 -1.686 134 2HH2 ARG 13 2HH2 ARG 13 9.514 9.863 -1.057 135 1HN NH2 14 1HT ARG 13 7.282 9.727 5.115 136 2HN NH2 14 2HT ARG 13 6.504 11.234 5.061 Start of MODEL 7 1 1H ILE 1 1H ILE 1 -19.790 0.091 0.383 2 2H ILE 1 2H ILE 1 -20.426 -1.272 1.175 3 3H ILE 1 3H ILE 1 -18.886 -1.341 0.459 4 HA ILE 1 HA ILE 1 -19.420 0.624 2.597 5 HB ILE 1 HB ILE 1 -18.534 -1.297 4.095 6 1HG1 ILE 1 2HG1 ILE 1 -19.759 -3.036 1.954 7 2HG1 ILE 1 1HG1 ILE 1 -18.033 -2.675 1.945 8 1HG2 ILE 1 1HG2 ILE 1 -20.694 -1.661 4.756 9 2HG2 ILE 1 2HG2 ILE 1 -21.235 -2.057 3.125 10 3HG2 ILE 1 3HG2 ILE 1 -21.031 -0.371 3.601 11 1HD1 ILE 1 1HD1 ILE 1 -17.863 -4.470 3.328 12 2HD1 ILE 1 2HD1 ILE 1 -19.576 -4.423 3.750 13 3HD1 ILE 1 3HD1 ILE 1 -18.437 -3.359 4.571 14 H LEU 2 H LEU 2 -17.310 0.941 3.781 15 HA LEU 2 HA LEU 2 -15.164 1.715 2.244 16 1HB LEU 2 2HB LEU 2 -13.834 1.394 4.312 17 2HB LEU 2 1HB LEU 2 -15.431 2.047 4.679 18 HG LEU 2 HG LEU 2 -15.736 -0.759 4.663 19 1HD1 LEU 2 1HD1 LEU 2 -13.178 -0.705 4.866 20 2HD1 LEU 2 2HD1 LEU 2 -14.046 -1.599 6.113 21 3HD1 LEU 2 3HD1 LEU 2 -13.428 0.017 6.456 22 1HD2 LEU 2 1HD2 LEU 2 -16.201 1.505 6.337 23 2HD2 LEU 2 2HD2 LEU 2 -15.445 0.256 7.328 24 3HD2 LEU 2 3HD2 LEU 2 -16.935 -0.095 6.450 25 HA PRO 3 HA PRO 3 -13.620 -2.073 0.528 26 1HB PRO 3 2HB PRO 3 -11.324 -1.043 -0.544 27 2HB PRO 3 1HB PRO 3 -12.923 -0.795 -1.272 28 1HG PRO 3 2HG PRO 3 -11.300 1.052 0.400 29 2HG PRO 3 1HG PRO 3 -12.337 1.403 -0.991 30 1HD PRO 3 2HD PRO 3 -13.072 1.836 1.609 31 2HD PRO 3 1HD PRO 3 -14.221 1.543 0.287 32 H TRP 4 H TRP 4 -11.141 -3.026 0.486 33 HA TRP 4 HA TRP 4 -9.424 -2.397 2.703 34 1HB TRP 4 2HB TRP 4 -11.513 -3.187 3.858 35 2HB TRP 4 1HB TRP 4 -11.294 -4.753 3.074 36 HD1 TRP 4 HD1 TRP 4 -9.426 -6.338 3.973 37 HE1 TRP 4 1HE TRP 4 -7.908 -6.278 6.058 38 HE3 TRP 4 3HE TRP 4 -10.212 -1.528 5.499 39 HZ2 TRP 4 2HZ TRP 4 -7.130 -4.431 8.103 40 HZ3 TRP 4 3HZ TRP 4 -9.072 -0.645 7.515 41 HH2 TRP 4 HH2 TRP 4 -7.535 -2.090 8.817 42 H LYS 5 H LYS 5 -9.019 -3.063 0.018 43 HA LYS 5 HA LYS 5 -7.493 -5.610 0.279 44 1HB LYS 5 2HB LYS 5 -9.732 -4.861 -1.448 45 2HB LYS 5 1HB LYS 5 -8.344 -5.473 -2.346 46 1HG LYS 5 2HG LYS 5 -8.643 -7.579 -1.573 47 2HG LYS 5 1HG LYS 5 -8.909 -7.014 0.075 48 1HD LYS 5 2HD LYS 5 -11.062 -7.645 -0.262 49 2HD LYS 5 1HD LYS 5 -11.191 -6.151 -1.191 50 1HE LYS 5 2HE LYS 5 -11.158 -7.251 -3.221 51 2HE LYS 5 1HE LYS 5 -10.107 -8.547 -2.616 52 1HZ LYS 5 1HZ LYS 5 -12.208 -8.894 -1.053 53 2HZ LYS 5 2HZ LYS 5 -12.060 -9.667 -2.558 54 3HZ LYS 5 3HZ LYS 5 -13.004 -8.263 -2.412 55 H TRP 6 H TRP 6 -7.050 -2.517 0.072 56 HA TRP 6 HA TRP 6 -5.619 -1.974 -2.324 57 1HB TRP 6 2HB TRP 6 -6.542 -0.304 -0.829 58 2HB TRP 6 1HB TRP 6 -5.522 -0.858 0.482 59 HD1 TRP 6 HD1 TRP 6 -2.935 -0.502 0.220 60 HE1 TRP 6 1HE TRP 6 -1.600 1.328 -1.067 61 HE3 TRP 6 3HE TRP 6 -6.567 1.076 -2.827 62 HZ2 TRP 6 2HZ TRP 6 -2.105 3.237 -3.187 63 HZ3 TRP 6 3HZ TRP 6 -6.190 2.895 -4.501 64 HH2 TRP 6 HH2 TRP 6 -3.956 3.972 -4.680 65 HA PRO 7 HA PRO 7 -1.846 -4.035 -1.315 66 1HB PRO 7 2HB PRO 7 -0.369 -3.105 -3.423 67 2HB PRO 7 1HB PRO 7 -1.668 -4.297 -3.595 68 1HG PRO 7 2HG PRO 7 -1.607 -1.492 -4.405 69 2HG PRO 7 1HG PRO 7 -2.700 -2.783 -4.914 70 1HD PRO 7 2HD PRO 7 -3.163 -0.690 -2.978 71 2HD PRO 7 1HD PRO 7 -4.297 -1.917 -3.584 72 H TRP 8 H TRP 8 0.739 -3.264 -1.717 73 HA TRP 8 HA TRP 8 2.376 -2.274 -0.322 74 1HB TRP 8 2HB TRP 8 1.230 0.114 -1.752 75 2HB TRP 8 1HB TRP 8 2.916 -0.271 -1.425 76 HD1 TRP 8 HD1 TRP 8 0.271 -0.720 -3.957 77 HE1 TRP 8 1HE TRP 8 1.103 -2.241 -5.869 78 HE3 TRP 8 3HE TRP 8 4.491 -2.536 -1.810 79 HZ2 TRP 8 2HZ TRP 8 3.295 -4.016 -6.397 80 HZ3 TRP 8 3HZ TRP 8 5.945 -4.143 -3.017 81 HH2 TRP 8 HH2 TRP 8 5.349 -4.889 -5.306 82 H TRP 9 H TRP 9 1.329 -2.498 1.808 83 HA TRP 9 HA TRP 9 -0.524 -0.868 3.035 84 1HB TRP 9 2HB TRP 9 0.351 -2.606 4.312 85 2HB TRP 9 1HB TRP 9 2.012 -2.192 3.906 86 HD1 TRP 9 HD1 TRP 9 3.019 0.017 5.076 87 HE1 TRP 9 1HE TRP 9 2.539 1.030 7.403 88 HE3 TRP 9 3HE TRP 9 -1.421 -2.226 6.066 89 HZ2 TRP 9 2HZ TRP 9 0.503 0.891 9.424 90 HZ3 TRP 9 3HZ TRP 9 -2.628 -1.784 8.191 91 HH2 TRP 9 HH2 TRP 9 -1.672 -0.224 9.868 92 HA PRO 10 HA PRO 10 1.383 3.102 3.035 93 1HB PRO 10 2HB PRO 10 -0.472 4.370 4.597 94 2HB PRO 10 1HB PRO 10 -0.792 3.873 2.924 95 1HG PRO 10 2HG PRO 10 -1.861 2.786 5.402 96 2HG PRO 10 1HG PRO 10 -2.406 2.537 3.739 97 1HD PRO 10 2HD PRO 10 -0.776 0.808 5.399 98 2HD PRO 10 1HD PRO 10 -1.505 0.462 3.820 99 H TRP 11 H TRP 11 3.301 3.193 4.234 100 HA TRP 11 HA TRP 11 3.157 3.021 7.184 101 1HB TRP 11 2HB TRP 11 5.628 2.738 6.885 102 2HB TRP 11 1HB TRP 11 4.683 1.534 6.027 103 HD1 TRP 11 HD1 TRP 11 6.379 4.914 5.357 104 HE1 TRP 11 1HE TRP 11 7.135 4.937 2.875 105 HE3 TRP 11 3HE TRP 11 4.441 0.503 3.895 106 HZ2 TRP 11 2HZ TRP 11 6.908 3.234 0.552 107 HZ3 TRP 11 3HZ TRP 11 4.695 -0.318 1.551 108 HH2 TRP 11 HH2 TRP 11 5.925 1.051 -0.117 109 H ARG 12 H ARG 12 5.179 4.507 8.007 110 HA ARG 12 HA ARG 12 5.113 7.182 6.738 111 1HB ARG 12 2HB ARG 12 3.360 6.394 8.764 112 2HB ARG 12 1HB ARG 12 4.618 7.295 9.610 113 1HG ARG 12 2HG ARG 12 4.156 8.816 7.337 114 2HG ARG 12 1HG ARG 12 2.545 8.260 7.791 115 1HD ARG 12 2HD ARG 12 3.057 10.382 8.944 116 2HD ARG 12 1HD ARG 12 2.975 9.064 10.131 117 HE ARG 12 HE ARG 12 5.411 9.033 10.203 118 1HH1 ARG 12 1HH2 ARG 12 4.030 11.980 9.574 119 2HH1 ARG 12 2HH2 ARG 12 5.442 12.719 8.897 120 1HH2 ARG 12 2HH1 ARG 12 7.243 9.759 8.745 121 2HH2 ARG 12 1HH1 ARG 12 7.262 11.463 8.428 122 H ARG 13 H ARG 13 7.437 6.274 6.509 123 HA ARG 13 HA ARG 13 8.988 6.875 9.010 124 1HB ARG 13 2HB ARG 13 9.325 4.773 6.856 125 2HB ARG 13 1HB ARG 13 10.614 5.172 7.992 126 1HG ARG 13 2HG ARG 13 8.768 4.813 9.814 127 2HG ARG 13 1HG ARG 13 7.937 3.917 8.542 128 1HD ARG 13 2HD ARG 13 9.872 2.437 8.267 129 2HD ARG 13 1HD ARG 13 10.778 3.367 9.476 130 HE ARG 13 HE ARG 13 8.300 2.641 10.648 131 1HH1 ARG 13 1HH2 ARG 13 9.847 0.390 8.851 132 2HH1 ARG 13 2HH2 ARG 13 10.367 -0.616 10.161 133 1HH2 ARG 13 1HH1 ARG 13 9.550 1.697 12.612 134 2HH2 ARG 13 2HH1 ARG 13 10.200 0.125 12.291 135 1HN NH2 14 1HT ARG 13 8.228 8.541 6.468 136 2HN NH2 14 2HT ARG 13 9.724 9.114 5.910 Start of MODEL 8 1 1H ILE 1 1H ILE 1 -18.545 -0.579 3.583 2 2H ILE 1 2H ILE 1 -19.595 0.612 2.979 3 3H ILE 1 3H ILE 1 -19.573 0.255 4.641 4 HA ILE 1 HA ILE 1 -18.323 2.353 3.756 5 HB ILE 1 HB ILE 1 -16.664 1.820 5.657 6 1HG1 ILE 1 2HG1 ILE 1 -18.364 -0.553 6.257 7 2HG1 ILE 1 1HG1 ILE 1 -17.122 -0.757 5.022 8 1HG2 ILE 1 1HG2 ILE 1 -19.268 1.147 6.804 9 2HG2 ILE 1 2HG2 ILE 1 -19.366 2.479 5.651 10 3HG2 ILE 1 3HG2 ILE 1 -18.280 2.591 7.036 11 1HD1 ILE 1 1HD1 ILE 1 -15.420 0.104 6.599 12 2HD1 ILE 1 2HD1 ILE 1 -16.226 -1.328 7.243 13 3HD1 ILE 1 3HD1 ILE 1 -16.665 0.273 7.838 14 H LEU 2 H LEU 2 -15.903 2.830 3.509 15 HA LEU 2 HA LEU 2 -14.771 1.931 1.175 16 1HB LEU 2 2HB LEU 2 -12.679 2.747 2.085 17 2HB LEU 2 1HB LEU 2 -13.977 3.726 2.769 18 HG LEU 2 HG LEU 2 -13.929 1.870 4.665 19 1HD1 LEU 2 1HD1 LEU 2 -11.104 1.723 4.644 20 2HD1 LEU 2 2HD1 LEU 2 -11.632 1.242 3.031 21 3HD1 LEU 2 3HD1 LEU 2 -12.244 0.392 4.450 22 1HD2 LEU 2 1HD2 LEU 2 -13.512 4.214 5.107 23 2HD2 LEU 2 2HD2 LEU 2 -11.929 4.127 4.335 24 3HD2 LEU 2 3HD2 LEU 2 -12.214 3.287 5.859 25 HA PRO 3 HA PRO 3 -13.858 -2.338 1.916 26 1HB PRO 3 2HB PRO 3 -12.311 -2.751 -0.304 27 2HB PRO 3 1HB PRO 3 -14.080 -2.623 -0.371 28 1HG PRO 3 2HG PRO 3 -12.007 -0.592 -1.026 29 2HG PRO 3 1HG PRO 3 -13.554 -0.926 -1.822 30 1HD PRO 3 2HD PRO 3 -13.153 1.157 -0.097 31 2HD PRO 3 1HD PRO 3 -14.732 0.387 -0.369 32 H TRP 4 H TRP 4 -11.508 -3.627 1.418 33 HA TRP 4 HA TRP 4 -9.250 -1.980 2.384 34 1HB TRP 4 2HB TRP 4 -8.986 -3.898 4.185 35 2HB TRP 4 1HB TRP 4 -10.012 -2.500 4.495 36 HD1 TRP 4 HD1 TRP 4 -10.132 -6.220 3.831 37 HE1 TRP 4 1HE TRP 4 -12.552 -7.058 4.176 38 HE3 TRP 4 3HE TRP 4 -12.525 -1.757 4.301 39 HZ2 TRP 4 2HZ TRP 4 -15.168 -5.957 4.595 40 HZ3 TRP 4 3HZ TRP 4 -14.981 -1.666 4.672 41 HH2 TRP 4 HH2 TRP 4 -16.302 -3.760 4.817 42 H LYS 5 H LYS 5 -9.051 -2.930 0.000 43 HA LYS 5 HA LYS 5 -7.520 -5.492 0.215 44 1HB LYS 5 2HB LYS 5 -9.774 -4.646 -1.448 45 2HB LYS 5 1HB LYS 5 -8.430 -5.274 -2.398 46 1HG LYS 5 2HG LYS 5 -9.893 -6.671 -0.142 47 2HG LYS 5 1HG LYS 5 -9.855 -7.144 -1.840 48 1HD LYS 5 2HD LYS 5 -7.155 -6.917 -0.930 49 2HD LYS 5 1HD LYS 5 -8.045 -7.896 0.238 50 1HE LYS 5 2HE LYS 5 -8.585 -8.500 -2.627 51 2HE LYS 5 1HE LYS 5 -6.983 -8.958 -2.012 52 1HZ LYS 5 1HZ LYS 5 -7.981 -10.108 -0.193 53 2HZ LYS 5 2HZ LYS 5 -8.727 -10.665 -1.615 54 3HZ LYS 5 3HZ LYS 5 -9.530 -9.556 -0.608 55 H TRP 6 H TRP 6 -7.016 -2.397 0.005 56 HA TRP 6 HA TRP 6 -5.582 -1.882 -2.393 57 1HB TRP 6 2HB TRP 6 -6.450 -0.194 -0.895 58 2HB TRP 6 1HB TRP 6 -5.463 -0.790 0.422 59 HD1 TRP 6 HD1 TRP 6 -2.860 -0.511 0.186 60 HE1 TRP 6 1HE TRP 6 -1.465 1.297 -1.066 61 HE3 TRP 6 3HE TRP 6 -6.426 1.213 -2.865 62 HZ2 TRP 6 2HZ TRP 6 -1.900 3.249 -3.163 63 HZ3 TRP 6 3HZ TRP 6 -5.983 3.044 -4.509 64 HH2 TRP 6 HH2 TRP 6 -3.719 4.058 -4.656 65 HA PRO 7 HA PRO 7 -1.860 -4.047 -1.410 66 1HB PRO 7 2HB PRO 7 -0.344 -3.110 -3.486 67 2HB PRO 7 1HB PRO 7 -1.667 -4.272 -3.691 68 1HG PRO 7 2HG PRO 7 -1.539 -1.454 -4.449 69 2HG PRO 7 1HG PRO 7 -2.655 -2.711 -4.990 70 1HD PRO 7 2HD PRO 7 -3.091 -0.643 -3.024 71 2HD PRO 7 1HD PRO 7 -4.245 -1.838 -3.655 72 H TRP 8 H TRP 8 0.738 -3.367 -1.741 73 HA TRP 8 HA TRP 8 2.380 -2.450 -0.299 74 1HB TRP 8 2HB TRP 8 1.408 0.021 -1.711 75 2HB TRP 8 1HB TRP 8 3.059 -0.506 -1.406 76 HD1 TRP 8 HD1 TRP 8 0.324 -0.735 -3.891 77 HE1 TRP 8 1HE TRP 8 1.025 -2.249 -5.860 78 HE3 TRP 8 3HE TRP 8 4.510 -2.808 -1.909 79 HZ2 TRP 8 2HZ TRP 8 3.110 -4.112 -6.494 80 HZ3 TRP 8 3HZ TRP 8 5.846 -4.454 -3.199 81 HH2 TRP 8 HH2 TRP 8 5.147 -5.111 -5.486 82 H TRP 9 H TRP 9 1.336 -2.631 1.802 83 HA TRP 9 HA TRP 9 -0.521 -1.046 3.044 84 1HB TRP 9 2HB TRP 9 0.462 -2.759 4.294 85 2HB TRP 9 1HB TRP 9 2.095 -2.216 3.922 86 HD1 TRP 9 HD1 TRP 9 2.917 0.042 5.134 87 HE1 TRP 9 1HE TRP 9 2.306 1.015 7.444 88 HE3 TRP 9 3HE TRP 9 -1.385 -2.498 5.996 89 HZ2 TRP 9 2HZ TRP 9 0.229 0.735 9.406 90 HZ3 TRP 9 3HZ TRP 9 -2.678 -2.143 8.087 91 HH2 TRP 9 HH2 TRP 9 -1.877 -0.525 9.788 92 HA PRO 10 HA PRO 10 1.228 3.004 3.020 93 1HB PRO 10 2HB PRO 10 -0.706 4.197 4.545 94 2HB PRO 10 1HB PRO 10 -0.979 3.676 2.872 95 1HG PRO 10 2HG PRO 10 -2.040 2.563 5.340 96 2HG PRO 10 1HG PRO 10 -2.541 2.269 3.670 97 1HD PRO 10 2HD PRO 10 -0.852 0.645 5.383 98 2HD PRO 10 1HD PRO 10 -1.553 0.237 3.805 99 H TRP 11 H TRP 11 3.125 3.171 4.257 100 HA TRP 11 HA TRP 11 2.913 3.046 7.209 101 1HB TRP 11 2HB TRP 11 5.392 2.777 6.980 102 2HB TRP 11 1HB TRP 11 4.485 1.554 6.112 103 HD1 TRP 11 HD1 TRP 11 6.196 4.923 5.457 104 HE1 TRP 11 1HE TRP 11 7.014 4.930 2.997 105 HE3 TRP 11 3HE TRP 11 4.288 0.507 3.974 106 HZ2 TRP 11 2HZ TRP 11 6.845 3.217 0.682 107 HZ3 TRP 11 3HZ TRP 11 4.601 -0.326 1.644 108 HH2 TRP 11 HH2 TRP 11 5.878 1.030 -0.001 109 H ARG 12 H ARG 12 4.984 4.601 7.969 110 HA ARG 12 HA ARG 12 5.307 6.870 8.586 111 1HB ARG 12 2HB ARG 12 6.868 6.361 6.778 112 2HB ARG 12 1HB ARG 12 5.632 6.741 5.579 113 1HG ARG 12 2HG ARG 12 5.625 9.001 7.135 114 2HG ARG 12 1HG ARG 12 7.330 8.547 7.161 115 1HD ARG 12 2HD ARG 12 7.590 9.304 5.040 116 2HD ARG 12 1HD ARG 12 6.277 8.249 4.477 117 HE ARG 12 HE ARG 12 4.735 10.047 4.790 118 1HH1 ARG 12 1HH2 ARG 12 6.629 10.712 7.331 119 2HH1 ARG 12 2HH2 ARG 12 6.871 12.397 7.009 120 1HH2 ARG 12 2HH1 ARG 12 5.581 12.239 3.794 121 2HH2 ARG 12 1HH1 ARG 12 6.279 13.262 5.006 122 H ARG 13 H ARG 13 2.664 6.703 8.787 123 HA ARG 13 HA ARG 13 0.625 7.853 8.535 124 1HB ARG 13 2HB ARG 13 1.069 10.020 9.054 125 2HB ARG 13 1HB ARG 13 2.767 9.587 8.899 126 1HG ARG 13 2HG ARG 13 2.822 10.337 6.602 127 2HG ARG 13 1HG ARG 13 1.071 10.553 6.578 128 1HD ARG 13 2HD ARG 13 2.466 12.024 8.739 129 2HD ARG 13 1HD ARG 13 2.820 12.585 7.092 130 HE ARG 13 HE ARG 13 0.314 12.694 6.751 131 1HH1 ARG 13 1HH1 ARG 13 -0.468 11.313 9.292 132 2HH1 ARG 13 2HH1 ARG 13 -0.883 12.646 10.317 133 1HH2 ARG 13 1HH2 ARG 13 0.706 15.006 8.338 134 2HH2 ARG 13 2HH2 ARG 13 -0.218 14.737 9.777 135 1HN NH2 14 1HT ARG 13 -0.732 9.143 6.786 136 2HN NH2 14 2HT ARG 13 -0.452 8.722 5.166 Start of MODEL 9 1 1H ILE 1 1H ILE 1 -17.365 -0.222 -2.472 2 2H ILE 1 2H ILE 1 -18.825 -0.621 -1.704 3 3H ILE 1 3H ILE 1 -17.349 -1.175 -1.070 4 HA ILE 1 HA ILE 1 -17.714 1.725 -1.343 5 HB ILE 1 HB ILE 1 -18.840 1.534 0.975 6 1HG1 ILE 1 2HG1 ILE 1 -20.034 -1.028 0.214 7 2HG1 ILE 1 1HG1 ILE 1 -18.311 -1.165 0.562 8 1HG2 ILE 1 1HG2 ILE 1 -20.818 1.906 -0.090 9 2HG2 ILE 1 2HG2 ILE 1 -20.742 0.374 -0.963 10 3HG2 ILE 1 3HG2 ILE 1 -19.851 1.775 -1.560 11 1HD1 ILE 1 1HD1 ILE 1 -20.518 -0.190 2.368 12 2HD1 ILE 1 2HD1 ILE 1 -18.838 0.252 2.670 13 3HD1 ILE 1 3HD1 ILE 1 -19.317 -1.445 2.676 14 H LEU 2 H LEU 2 -15.679 2.354 -0.798 15 HA LEU 2 HA LEU 2 -13.456 2.098 0.086 16 1HB LEU 2 2HB LEU 2 -13.831 2.524 2.658 17 2HB LEU 2 1HB LEU 2 -14.345 3.736 1.487 18 HG LEU 2 HG LEU 2 -16.262 1.577 2.331 19 1HD1 LEU 2 1HD1 LEU 2 -15.676 4.150 3.826 20 2HD1 LEU 2 2HD1 LEU 2 -15.417 2.514 4.431 21 3HD1 LEU 2 3HD1 LEU 2 -17.056 3.095 4.133 22 1HD2 LEU 2 1HD2 LEU 2 -17.536 4.038 2.083 23 2HD2 LEU 2 2HD2 LEU 2 -17.465 2.791 0.839 24 3HD2 LEU 2 3HD2 LEU 2 -16.284 4.099 0.843 25 HA PRO 3 HA PRO 3 -13.865 -2.337 1.373 26 1HB PRO 3 2HB PRO 3 -12.116 -3.321 -0.489 27 2HB PRO 3 1HB PRO 3 -13.850 -3.109 -0.807 28 1HG PRO 3 2HG PRO 3 -11.554 -1.397 -1.612 29 2HG PRO 3 1HG PRO 3 -13.025 -1.808 -2.507 30 1HD PRO 3 2HD PRO 3 -12.641 0.576 -1.227 31 2HD PRO 3 1HD PRO 3 -14.240 -0.137 -1.530 32 H TRP 4 H TRP 4 -11.664 -3.849 1.574 33 HA TRP 4 HA TRP 4 -9.476 -2.095 2.636 34 1HB TRP 4 2HB TRP 4 -9.811 -4.524 4.172 35 2HB TRP 4 1HB TRP 4 -9.831 -2.857 4.729 36 HD1 TRP 4 HD1 TRP 4 -12.179 -5.525 3.250 37 HE1 TRP 4 1HE TRP 4 -14.589 -4.995 4.003 38 HE3 TRP 4 3HE TRP 4 -11.399 -1.084 5.644 39 HZ2 TRP 4 2HZ TRP 4 -15.999 -2.955 5.431 40 HZ3 TRP 4 3HZ TRP 4 -13.288 0.131 6.690 41 HH2 TRP 4 HH2 TRP 4 -15.585 -0.797 6.588 42 H LYS 5 H LYS 5 -9.214 -3.191 0.179 43 HA LYS 5 HA LYS 5 -7.422 -5.549 0.625 44 1HB LYS 5 2HB LYS 5 -9.732 -5.093 -1.097 45 2HB LYS 5 1HB LYS 5 -8.316 -5.610 -2.011 46 1HG LYS 5 2HG LYS 5 -8.114 -7.625 -0.783 47 2HG LYS 5 1HG LYS 5 -9.157 -7.034 0.513 48 1HD LYS 5 2HD LYS 5 -10.856 -8.096 -0.523 49 2HD LYS 5 1HD LYS 5 -10.749 -6.855 -1.772 50 1HE LYS 5 2HE LYS 5 -9.731 -8.268 -3.263 51 2HE LYS 5 1HE LYS 5 -8.779 -9.071 -1.998 52 1HZ LYS 5 1HZ LYS 5 -11.558 -9.562 -2.821 53 2HZ LYS 5 2HZ LYS 5 -11.122 -9.839 -1.204 54 3HZ LYS 5 3HZ LYS 5 -10.335 -10.678 -2.453 55 H TRP 6 H TRP 6 -7.175 -2.462 0.216 56 HA TRP 6 HA TRP 6 -5.840 -1.899 -2.204 57 1HB TRP 6 2HB TRP 6 -6.696 -0.246 -0.669 58 2HB TRP 6 1HB TRP 6 -5.641 -0.813 0.609 59 HD1 TRP 6 HD1 TRP 6 -3.057 -0.456 0.264 60 HE1 TRP 6 1HE TRP 6 -1.771 1.409 -1.021 61 HE3 TRP 6 3HE TRP 6 -6.798 1.188 -2.615 62 HZ2 TRP 6 2HZ TRP 6 -2.353 3.372 -3.072 63 HZ3 TRP 6 3HZ TRP 6 -6.481 3.052 -4.251 64 HH2 TRP 6 HH2 TRP 6 -4.255 4.139 -4.479 65 HA PRO 7 HA PRO 7 -1.999 -3.926 -1.421 66 1HB PRO 7 2HB PRO 7 -0.618 -2.924 -3.559 67 2HB PRO 7 1HB PRO 7 -1.909 -4.128 -3.709 68 1HG PRO 7 2HG PRO 7 -1.915 -1.302 -4.449 69 2HG PRO 7 1HG PRO 7 -3.011 -2.593 -4.947 70 1HD PRO 7 2HD PRO 7 -3.424 -0.558 -2.945 71 2HD PRO 7 1HD PRO 7 -4.565 -1.788 -3.529 72 H TRP 8 H TRP 8 0.553 -3.156 -1.872 73 HA TRP 8 HA TRP 8 2.234 -2.198 -0.508 74 1HB TRP 8 2HB TRP 8 1.111 0.244 -1.856 75 2HB TRP 8 1HB TRP 8 2.792 -0.224 -1.631 76 HD1 TRP 8 HD1 TRP 8 -0.039 -0.537 -3.991 77 HE1 TRP 8 1HE TRP 8 0.618 -2.027 -5.994 78 HE3 TRP 8 3HE TRP 8 4.292 -2.486 -2.205 79 HZ2 TRP 8 2HZ TRP 8 2.726 -3.828 -6.723 80 HZ3 TRP 8 3HZ TRP 8 5.618 -4.091 -3.556 81 HH2 TRP 8 HH2 TRP 8 4.837 -4.766 -5.812 82 H TRP 9 H TRP 9 1.273 -2.432 1.641 83 HA TRP 9 HA TRP 9 -0.557 -0.796 2.920 84 1HB TRP 9 2HB TRP 9 0.289 -2.631 4.097 85 2HB TRP 9 1HB TRP 9 1.960 -2.188 3.765 86 HD1 TRP 9 HD1 TRP 9 2.930 -0.061 5.089 87 HE1 TRP 9 1HE TRP 9 2.356 0.856 7.432 88 HE3 TRP 9 3HE TRP 9 -1.566 -2.299 5.778 89 HZ2 TRP 9 2HZ TRP 9 0.230 0.651 9.351 90 HZ3 TRP 9 3HZ TRP 9 -2.866 -1.934 7.865 91 HH2 TRP 9 HH2 TRP 9 -1.973 -0.458 9.649 92 HA PRO 10 HA PRO 10 1.496 3.111 3.090 93 1HB PRO 10 2HB PRO 10 -0.367 4.381 4.639 94 2HB PRO 10 1HB PRO 10 -0.652 3.953 2.942 95 1HG PRO 10 2HG PRO 10 -1.834 2.821 5.345 96 2HG PRO 10 1HG PRO 10 -2.328 2.638 3.660 97 1HD PRO 10 2HD PRO 10 -0.794 0.819 5.320 98 2HD PRO 10 1HD PRO 10 -1.500 0.533 3.717 99 H TRP 11 H TRP 11 3.374 3.116 4.361 100 HA TRP 11 HA TRP 11 3.103 2.852 7.301 101 1HB TRP 11 2HB TRP 11 5.554 2.404 7.094 102 2HB TRP 11 1HB TRP 11 4.572 1.299 6.149 103 HD1 TRP 11 HD1 TRP 11 6.550 4.556 5.699 104 HE1 TRP 11 1HE TRP 11 7.414 4.624 3.255 105 HE3 TRP 11 3HE TRP 11 4.334 0.384 3.955 106 HZ2 TRP 11 2HZ TRP 11 7.157 3.052 0.849 107 HZ3 TRP 11 3HZ TRP 11 4.628 -0.350 1.588 108 HH2 TRP 11 HH2 TRP 11 6.036 0.985 0.037 109 H ARG 12 H ARG 12 5.238 4.195 8.192 110 HA ARG 12 HA ARG 12 5.711 6.398 8.942 111 1HB ARG 12 2HB ARG 12 7.309 5.794 7.180 112 2HB ARG 12 1HB ARG 12 6.195 6.395 5.953 113 1HG ARG 12 2HG ARG 12 6.417 8.504 7.763 114 2HG ARG 12 1HG ARG 12 8.058 7.869 7.636 115 1HD ARG 12 2HD ARG 12 7.722 7.921 5.086 116 2HD ARG 12 1HD ARG 12 6.295 8.925 5.413 117 HE ARG 12 HE ARG 12 8.532 9.910 6.920 118 1HH1 ARG 12 1HH2 ARG 12 6.793 10.059 3.976 119 2HH1 ARG 12 2HH2 ARG 12 7.752 11.335 3.305 120 1HH2 ARG 12 2HH1 ARG 12 9.986 11.408 5.957 121 2HH2 ARG 12 1HH1 ARG 12 9.560 12.099 4.426 122 H ARG 13 H ARG 13 3.139 6.616 9.131 123 HA ARG 13 HA ARG 13 2.040 8.550 7.163 124 1HB ARG 13 2HB ARG 13 -0.057 8.069 8.336 125 2HB ARG 13 1HB ARG 13 0.769 6.553 7.973 126 1HG ARG 13 2HG ARG 13 1.615 6.394 10.233 127 2HG ARG 13 1HG ARG 13 1.014 8.008 10.621 128 1HD ARG 13 2HD ARG 13 -1.039 6.143 9.574 129 2HD ARG 13 1HD ARG 13 -0.382 5.731 11.171 130 HE ARG 13 HE ARG 13 -1.091 8.569 10.769 131 1HH1 ARG 13 1HH2 ARG 13 -2.940 5.824 11.027 132 2HH1 ARG 13 2HH2 ARG 13 -3.688 6.233 12.535 133 1HH2 ARG 13 1HH1 ARG 13 -1.615 8.948 13.129 134 2HH2 ARG 13 2HH1 ARG 13 -2.938 8.003 13.724 135 1HN NH2 14 1HT ARG 13 4.220 9.361 9.122 136 2HN NH2 14 2HT ARG 13 3.551 10.622 10.040 Start of MODEL 10 1 1H ILE 1 1H ILE 1 -18.180 -1.226 -0.801 2 2H ILE 1 2H ILE 1 -18.900 0.106 -1.572 3 3H ILE 1 3H ILE 1 -19.795 -0.826 -0.466 4 HA ILE 1 HA ILE 1 -18.776 1.448 0.281 5 HB ILE 1 HB ILE 1 -18.508 0.247 2.558 6 1HG1 ILE 1 2HG1 ILE 1 -19.436 -2.098 0.869 7 2HG1 ILE 1 1HG1 ILE 1 -17.796 -1.920 1.492 8 1HG2 ILE 1 1HG2 ILE 1 -21.017 -0.305 0.944 9 2HG2 ILE 1 2HG2 ILE 1 -20.631 1.248 1.686 10 3HG2 ILE 1 3HG2 ILE 1 -20.906 -0.170 2.699 11 1HD1 ILE 1 1HD1 ILE 1 -18.783 -1.749 3.809 12 2HD1 ILE 1 2HD1 ILE 1 -19.013 -3.321 3.039 13 3HD1 ILE 1 3HD1 ILE 1 -20.346 -2.167 3.107 14 H LEU 2 H LEU 2 -16.873 2.155 1.530 15 HA LEU 2 HA LEU 2 -14.387 1.908 0.380 16 1HB LEU 2 2HB LEU 2 -13.523 2.616 2.571 17 2HB LEU 2 1HB LEU 2 -15.067 3.408 2.255 18 HG LEU 2 HG LEU 2 -15.832 1.044 3.479 19 1HD1 LEU 2 1HD1 LEU 2 -14.381 0.491 5.195 20 2HD1 LEU 2 2HD1 LEU 2 -13.669 2.104 5.255 21 3HD1 LEU 2 3HD1 LEU 2 -13.213 0.987 3.969 22 1HD2 LEU 2 1HD2 LEU 2 -16.580 2.461 5.227 23 2HD2 LEU 2 2HD2 LEU 2 -16.520 3.517 3.815 24 3HD2 LEU 2 3HD2 LEU 2 -15.230 3.575 5.018 25 HA PRO 3 HA PRO 3 -13.799 -2.503 1.202 26 1HB PRO 3 2HB PRO 3 -11.860 -2.835 -0.698 27 2HB PRO 3 1HB PRO 3 -13.594 -2.829 -1.079 28 1HG PRO 3 2HG PRO 3 -11.578 -0.664 -1.402 29 2HG PRO 3 1HG PRO 3 -12.927 -1.118 -2.455 30 1HD PRO 3 2HD PRO 3 -12.998 1.008 -0.745 31 2HD PRO 3 1HD PRO 3 -14.442 0.114 -1.267 32 H TRP 4 H TRP 4 -11.521 -3.713 1.435 33 HA TRP 4 HA TRP 4 -9.475 -1.904 2.622 34 1HB TRP 4 2HB TRP 4 -9.474 -3.772 4.500 35 2HB TRP 4 1HB TRP 4 -10.578 -2.402 4.580 36 HD1 TRP 4 HD1 TRP 4 -10.467 -6.139 4.017 37 HE1 TRP 4 1HE TRP 4 -12.885 -7.052 3.951 38 HE3 TRP 4 3HE TRP 4 -13.040 -1.750 3.917 39 HZ2 TRP 4 2HZ TRP 4 -15.566 -6.035 3.864 40 HZ3 TRP 4 3HZ TRP 4 -15.523 -1.736 3.841 41 HH2 TRP 4 HH2 TRP 4 -16.787 -3.872 3.812 42 H LYS 5 H LYS 5 -9.087 -3.126 0.243 43 HA LYS 5 HA LYS 5 -7.263 -5.400 0.906 44 1HB LYS 5 2HB LYS 5 -9.530 -5.135 -0.932 45 2HB LYS 5 1HB LYS 5 -8.076 -5.761 -1.707 46 1HG LYS 5 2HG LYS 5 -9.300 -6.872 0.836 47 2HG LYS 5 1HG LYS 5 -9.498 -7.579 -0.767 48 1HD LYS 5 2HD LYS 5 -6.746 -7.068 0.347 49 2HD LYS 5 1HD LYS 5 -7.633 -8.529 0.780 50 1HE LYS 5 2HE LYS 5 -6.959 -7.631 -2.048 51 2HE LYS 5 1HE LYS 5 -6.234 -9.000 -1.179 52 1HZ LYS 5 1HZ LYS 5 -8.798 -9.529 -0.816 53 2HZ LYS 5 2HZ LYS 5 -7.932 -10.110 -2.157 54 3HZ LYS 5 3HZ LYS 5 -8.910 -8.729 -2.308 55 H TRP 6 H TRP 6 -7.113 -2.352 0.225 56 HA TRP 6 HA TRP 6 -5.796 -1.873 -2.192 57 1HB TRP 6 2HB TRP 6 -6.566 -0.169 -0.683 58 2HB TRP 6 1HB TRP 6 -5.520 -0.744 0.596 59 HD1 TRP 6 HD1 TRP 6 -2.927 -0.473 0.219 60 HE1 TRP 6 1HE TRP 6 -1.600 1.346 -1.091 61 HE3 TRP 6 3HE TRP 6 -6.649 1.259 -2.633 62 HZ2 TRP 6 2HZ TRP 6 -2.147 3.308 -3.151 63 HZ3 TRP 6 3HZ TRP 6 -6.294 3.100 -4.287 64 HH2 TRP 6 HH2 TRP 6 -4.041 4.119 -4.545 65 HA PRO 7 HA PRO 7 -1.965 -3.955 -1.506 66 1HB PRO 7 2HB PRO 7 -0.627 -2.994 -3.694 67 2HB PRO 7 1HB PRO 7 -1.938 -4.180 -3.792 68 1HG PRO 7 2HG PRO 7 -1.926 -1.364 -4.562 69 2HG PRO 7 1HG PRO 7 -3.052 -2.644 -5.016 70 1HD PRO 7 2HD PRO 7 -3.382 -0.582 -3.027 71 2HD PRO 7 1HD PRO 7 -4.555 -1.805 -3.561 72 H TRP 8 H TRP 8 0.602 -3.191 -2.069 73 HA TRP 8 HA TRP 8 2.329 -2.249 -0.739 74 1HB TRP 8 2HB TRP 8 1.190 0.248 -1.960 75 2HB TRP 8 1HB TRP 8 2.866 -0.284 -1.866 76 HD1 TRP 8 HD1 TRP 8 -0.159 -0.458 -4.005 77 HE1 TRP 8 1HE TRP 8 0.317 -1.860 -6.120 78 HE3 TRP 8 3HE TRP 8 4.293 -2.499 -2.675 79 HZ2 TRP 8 2HZ TRP 8 2.344 -3.634 -7.102 80 HZ3 TRP 8 3HZ TRP 8 5.487 -4.049 -4.202 81 HH2 TRP 8 HH2 TRP 8 4.515 -4.620 -6.411 82 H TRP 9 H TRP 9 1.412 -2.546 1.425 83 HA TRP 9 HA TRP 9 -0.404 -0.989 2.791 84 1HB TRP 9 2HB TRP 9 0.580 -2.855 3.844 85 2HB TRP 9 1HB TRP 9 2.208 -2.228 3.602 86 HD1 TRP 9 HD1 TRP 9 2.986 -0.207 5.123 87 HE1 TRP 9 1HE TRP 9 2.185 0.606 7.437 88 HE3 TRP 9 3HE TRP 9 -1.477 -2.591 5.335 89 HZ2 TRP 9 2HZ TRP 9 -0.099 0.272 9.156 90 HZ3 TRP 9 3HZ TRP 9 -2.968 -2.343 7.307 91 HH2 TRP 9 HH2 TRP 9 -2.284 -0.910 9.216 92 HA PRO 10 HA PRO 10 1.540 2.984 3.023 93 1HB PRO 10 2HB PRO 10 -0.474 4.195 4.416 94 2HB PRO 10 1HB PRO 10 -0.621 3.757 2.704 95 1HG PRO 10 2HG PRO 10 -1.940 2.591 5.019 96 2HG PRO 10 1HG PRO 10 -2.309 2.397 3.302 97 1HD PRO 10 2HD PRO 10 -0.844 0.614 5.070 98 2HD PRO 10 1HD PRO 10 -1.431 0.318 3.420 99 H TRP 11 H TRP 11 3.245 3.305 4.482 100 HA TRP 11 HA TRP 11 2.731 2.857 7.370 101 1HB TRP 11 2HB TRP 11 5.219 2.635 7.400 102 2HB TRP 11 1HB TRP 11 4.441 1.478 6.337 103 HD1 TRP 11 HD1 TRP 11 6.194 4.882 6.184 104 HE1 TRP 11 1HE TRP 11 7.273 5.111 3.836 105 HE3 TRP 11 3HE TRP 11 4.440 0.653 4.088 106 HZ2 TRP 11 2HZ TRP 11 7.347 3.628 1.360 107 HZ3 TRP 11 3HZ TRP 11 4.999 0.041 1.733 108 HH2 TRP 11 HH2 TRP 11 6.449 1.529 0.372 109 H ARG 12 H ARG 12 4.604 4.342 8.524 110 HA ARG 12 HA ARG 12 4.789 6.551 9.381 111 1HB ARG 12 2HB ARG 12 6.627 6.146 7.800 112 2HB ARG 12 1HB ARG 12 5.614 6.710 6.473 113 1HG ARG 12 2HG ARG 12 5.437 8.747 8.360 114 2HG ARG 12 1HG ARG 12 7.129 8.254 8.428 115 1HD ARG 12 2HD ARG 12 6.421 8.320 5.674 116 2HD ARG 12 1HD ARG 12 5.825 9.825 6.400 117 HE ARG 12 HE ARG 12 8.125 10.163 7.325 118 1HH1 ARG 12 2HH1 ARG 12 7.687 9.178 4.197 119 2HH1 ARG 12 1HH1 ARG 12 9.296 8.593 3.943 120 1HH2 ARG 12 1HH2 ARG 12 10.194 8.832 7.285 121 2HH2 ARG 12 2HH2 ARG 12 10.716 8.397 5.692 122 H ARG 13 H ARG 13 2.079 6.169 8.755 123 HA ARG 13 HA ARG 13 0.859 7.854 6.874 124 1HB ARG 13 2HB ARG 13 0.229 6.627 9.487 125 2HB ARG 13 1HB ARG 13 -0.773 8.019 9.077 126 1HG ARG 13 2HG ARG 13 -1.642 7.001 7.162 127 2HG ARG 13 1HG ARG 13 -0.281 5.889 7.016 128 1HD ARG 13 2HD ARG 13 -1.900 4.446 7.877 129 2HD ARG 13 1HD ARG 13 -1.194 5.046 9.390 130 HE ARG 13 HE ARG 13 -3.185 6.901 8.593 131 1HH1 ARG 13 1HH2 ARG 13 -3.098 3.515 9.139 132 2HH1 ARG 13 2HH2 ARG 13 -4.556 3.486 10.074 133 1HH2 ARG 13 1HH1 ARG 13 -4.986 6.926 10.005 134 2HH2 ARG 13 2HH1 ARG 13 -5.625 5.415 10.565 135 1HN NH2 14 1HT ARG 13 -0.541 9.922 7.893 136 2HN NH2 14 2HT ARG 13 0.452 11.104 8.598 Start of MODEL 11 1 1H ILE 1 1H ILE 1 -19.765 -0.495 0.423 2 2H ILE 1 2H ILE 1 -20.404 -1.050 1.896 3 3H ILE 1 3H ILE 1 -18.921 -1.655 1.326 4 HA ILE 1 HA ILE 1 -19.240 1.233 1.870 5 HB ILE 1 HB ILE 1 -18.291 0.533 4.172 6 1HG1 ILE 1 2HG1 ILE 1 -19.500 -2.100 3.259 7 2HG1 ILE 1 1HG1 ILE 1 -17.783 -1.804 3.532 8 1HG2 ILE 1 1HG2 ILE 1 -21.118 -0.396 3.637 9 2HG2 ILE 1 2HG2 ILE 1 -20.673 1.311 3.601 10 3HG2 ILE 1 3HG2 ILE 1 -20.484 0.380 5.088 11 1HD1 ILE 1 1HD1 ILE 1 -17.995 -1.936 5.790 12 2HD1 ILE 1 2HD1 ILE 1 -19.511 -2.763 5.435 13 3HD1 ILE 1 3HD1 ILE 1 -19.512 -1.036 5.792 14 H LEU 2 H LEU 2 -17.016 2.013 2.612 15 HA LEU 2 HA LEU 2 -14.988 1.650 0.788 16 1HB LEU 2 2HB LEU 2 -13.522 2.523 2.532 17 2HB LEU 2 1HB LEU 2 -15.113 3.267 2.705 18 HG LEU 2 HG LEU 2 -15.421 1.038 4.250 19 1HD1 LEU 2 1HD1 LEU 2 -12.863 0.708 3.774 20 2HD1 LEU 2 2HD1 LEU 2 -13.468 0.489 5.416 21 3HD1 LEU 2 3HD1 LEU 2 -12.660 1.991 4.967 22 1HD2 LEU 2 1HD2 LEU 2 -14.120 3.362 5.580 23 2HD2 LEU 2 2HD2 LEU 2 -15.649 2.567 5.951 24 3HD2 LEU 2 3HD2 LEU 2 -15.553 3.712 4.613 25 HA PRO 3 HA PRO 3 -13.997 -2.661 1.560 26 1HB PRO 3 2HB PRO 3 -12.295 -2.916 -0.568 27 2HB PRO 3 1HB PRO 3 -14.062 -2.973 -0.732 28 1HG PRO 3 2HG PRO 3 -12.181 -0.736 -1.287 29 2HG PRO 3 1HG PRO 3 -13.635 -1.234 -2.165 30 1HD PRO 3 2HD PRO 3 -13.557 0.882 -0.441 31 2HD PRO 3 1HD PRO 3 -15.028 -0.053 -0.789 32 H TRP 4 H TRP 4 -11.595 -3.765 1.392 33 HA TRP 4 HA TRP 4 -9.507 -1.887 2.335 34 1HB TRP 4 2HB TRP 4 -9.208 -3.577 4.302 35 2HB TRP 4 1HB TRP 4 -10.452 -2.334 4.411 36 HD1 TRP 4 HD1 TRP 4 -9.960 -6.056 4.159 37 HE1 TRP 4 1HE TRP 4 -12.253 -7.235 4.323 38 HE3 TRP 4 3HE TRP 4 -13.023 -2.012 3.800 39 HZ2 TRP 4 2HZ TRP 4 -15.036 -6.532 4.297 40 HZ3 TRP 4 3HZ TRP 4 -15.493 -2.280 3.869 41 HH2 TRP 4 HH2 TRP 4 -16.499 -4.534 4.116 42 H LYS 5 H LYS 5 -9.122 -2.998 0.032 43 HA LYS 5 HA LYS 5 -7.412 -5.406 0.524 44 1HB LYS 5 2HB LYS 5 -9.650 -4.891 -1.281 45 2HB LYS 5 1HB LYS 5 -8.218 -5.449 -2.139 46 1HG LYS 5 2HG LYS 5 -9.646 -6.831 0.146 47 2HG LYS 5 1HG LYS 5 -9.467 -7.411 -1.509 48 1HD LYS 5 2HD LYS 5 -6.856 -6.861 -0.498 49 2HD LYS 5 1HD LYS 5 -7.708 -7.826 0.707 50 1HE LYS 5 2HE LYS 5 -8.410 -9.051 -1.693 51 2HE LYS 5 1HE LYS 5 -6.698 -8.635 -1.918 52 1HZ LYS 5 1HZ LYS 5 -6.528 -10.582 -0.731 53 2HZ LYS 5 2HZ LYS 5 -7.946 -10.301 0.164 54 3HZ LYS 5 3HZ LYS 5 -6.522 -9.448 0.530 55 H TRP 6 H TRP 6 -7.069 -2.327 0.128 56 HA TRP 6 HA TRP 6 -5.664 -1.778 -2.247 57 1HB TRP 6 2HB TRP 6 -6.478 -0.118 -0.699 58 2HB TRP 6 1HB TRP 6 -5.475 -0.752 0.590 59 HD1 TRP 6 HD1 TRP 6 -2.869 -0.498 0.304 60 HE1 TRP 6 1HE TRP 6 -1.483 1.339 -0.914 61 HE3 TRP 6 3HE TRP 6 -6.480 1.359 -2.615 62 HZ2 TRP 6 2HZ TRP 6 -1.941 3.365 -2.933 63 HZ3 TRP 6 3HZ TRP 6 -6.052 3.241 -4.205 64 HH2 TRP 6 HH2 TRP 6 -3.780 4.240 -4.363 65 HA PRO 7 HA PRO 7 -1.912 -3.961 -1.445 66 1HB PRO 7 2HB PRO 7 -0.469 -2.980 -3.555 67 2HB PRO 7 1HB PRO 7 -1.800 -4.139 -3.734 68 1HG PRO 7 2HG PRO 7 -1.698 -1.306 -4.442 69 2HG PRO 7 1HG PRO 7 -2.838 -2.551 -4.961 70 1HD PRO 7 2HD PRO 7 -3.186 -0.524 -2.937 71 2HD PRO 7 1HD PRO 7 -4.371 -1.696 -3.551 72 H TRP 8 H TRP 8 0.675 -3.267 -1.866 73 HA TRP 8 HA TRP 8 2.373 -2.386 -0.470 74 1HB TRP 8 2HB TRP 8 1.336 0.119 -1.771 75 2HB TRP 8 1HB TRP 8 3.001 -0.412 -1.550 76 HD1 TRP 8 HD1 TRP 8 0.166 -0.579 -3.925 77 HE1 TRP 8 1HE TRP 8 0.781 -2.043 -5.958 78 HE3 TRP 8 3HE TRP 8 4.429 -2.703 -2.173 79 HZ2 TRP 8 2HZ TRP 8 2.833 -3.892 -6.726 80 HZ3 TRP 8 3HZ TRP 8 5.705 -4.320 -3.558 81 HH2 TRP 8 HH2 TRP 8 4.909 -4.920 -5.829 82 H TRP 9 H TRP 9 1.415 -2.635 1.663 83 HA TRP 9 HA TRP 9 -0.387 -1.111 3.041 84 1HB TRP 9 2HB TRP 9 0.657 -2.827 4.216 85 2HB TRP 9 1HB TRP 9 2.267 -2.302 3.735 86 HD1 TRP 9 HD1 TRP 9 3.196 -0.056 4.908 87 HE1 TRP 9 1HE TRP 9 2.776 0.873 7.282 88 HE3 TRP 9 3HE TRP 9 -1.036 -2.599 6.070 89 HZ2 TRP 9 2HZ TRP 9 0.865 0.564 9.398 90 HZ3 TRP 9 3HZ TRP 9 -2.154 -2.278 8.264 91 HH2 TRP 9 HH2 TRP 9 -1.210 -0.696 9.926 92 HA PRO 10 HA PRO 10 1.301 2.968 3.079 93 1HB PRO 10 2HB PRO 10 -0.562 4.072 4.750 94 2HB PRO 10 1HB PRO 10 -0.920 3.607 3.077 95 1HG PRO 10 2HG PRO 10 -1.826 2.388 5.556 96 2HG PRO 10 1HG PRO 10 -2.418 2.152 3.909 97 1HD PRO 10 2HD PRO 10 -0.617 0.486 5.455 98 2HD PRO 10 1HD PRO 10 -1.397 0.132 3.901 99 H TRP 11 H TRP 11 3.161 3.456 4.224 100 HA TRP 11 HA TRP 11 3.189 3.033 7.167 101 1HB TRP 11 2HB TRP 11 5.644 2.910 6.758 102 2HB TRP 11 1HB TRP 11 4.752 1.720 5.833 103 HD1 TRP 11 HD1 TRP 11 6.285 5.207 5.411 104 HE1 TRP 11 1HE TRP 11 6.921 5.493 2.914 105 HE3 TRP 11 3HE TRP 11 4.406 0.894 3.610 106 HZ2 TRP 11 2HZ TRP 11 6.633 4.020 0.449 107 HZ3 TRP 11 3HZ TRP 11 4.571 0.317 1.187 108 HH2 TRP 11 HH2 TRP 11 5.684 1.881 -0.391 109 H ARG 12 H ARG 12 5.266 4.673 7.841 110 HA ARG 12 HA ARG 12 4.110 7.294 7.879 111 1HB ARG 12 2HB ARG 12 6.042 7.737 9.228 112 2HB ARG 12 1HB ARG 12 5.564 6.086 9.576 113 1HG ARG 12 2HG ARG 12 7.229 5.487 7.639 114 2HG ARG 12 1HG ARG 12 7.906 7.080 7.979 115 1HD ARG 12 2HD ARG 12 7.963 6.338 10.455 116 2HD ARG 12 1HD ARG 12 7.727 4.694 9.828 117 HE ARG 12 HE ARG 12 10.062 6.444 9.209 118 1HH1 ARG 12 2HH1 ARG 12 9.367 4.685 6.906 119 2HH1 ARG 12 1HH1 ARG 12 10.282 3.253 7.241 120 1HH2 ARG 12 1HH2 ARG 12 10.820 4.059 10.571 121 2HH2 ARG 12 2HH2 ARG 12 11.104 2.899 9.317 122 H ARG 13 H ARG 13 4.270 6.815 5.184 123 HA ARG 13 HA ARG 13 6.621 7.399 3.763 124 1HB ARG 13 2HB ARG 13 4.647 6.756 2.602 125 2HB ARG 13 1HB ARG 13 3.696 8.042 3.346 126 1HG ARG 13 2HG ARG 13 6.011 9.079 1.899 127 2HG ARG 13 1HG ARG 13 4.925 8.164 0.852 128 1HD ARG 13 2HD ARG 13 3.865 10.254 2.769 129 2HD ARG 13 1HD ARG 13 4.395 10.674 1.128 130 HE ARG 13 HE ARG 13 2.254 8.661 1.714 131 1HH1 ARG 13 1HH1 ARG 13 4.111 9.513 -0.857 132 2HH1 ARG 13 2HH1 ARG 13 2.824 10.085 -1.866 133 1HH2 ARG 13 1HH2 ARG 13 0.456 10.033 0.666 134 2HH2 ARG 13 2HH2 ARG 13 0.756 10.379 -1.005 135 1HN NH2 14 1HT ARG 13 4.500 9.643 5.546 136 2HN NH2 14 2HT ARG 13 5.448 11.028 5.285 Start of MODEL 12 1 1H ILE 1 1H ILE 1 -17.506 1.349 7.200 2 2H ILE 1 2H ILE 1 -15.988 0.622 6.973 3 3H ILE 1 3H ILE 1 -17.363 -0.010 6.197 4 HA ILE 1 HA ILE 1 -17.326 1.522 4.546 5 HB ILE 1 HB ILE 1 -16.504 3.882 5.151 6 1HG1 ILE 1 2HG1 ILE 1 -16.920 3.594 7.967 7 2HG1 ILE 1 1HG1 ILE 1 -15.682 2.435 7.479 8 1HG2 ILE 1 1HG2 ILE 1 -18.563 4.165 6.767 9 2HG2 ILE 1 2HG2 ILE 1 -18.854 2.469 6.379 10 3HG2 ILE 1 3HG2 ILE 1 -18.829 3.676 5.094 11 1HD1 ILE 1 1HD1 ILE 1 -14.170 4.069 7.074 12 2HD1 ILE 1 2HD1 ILE 1 -15.260 5.135 7.958 13 3HD1 ILE 1 3HD1 ILE 1 -15.348 5.047 6.199 14 H LEU 2 H LEU 2 -15.584 2.519 3.155 15 HA LEU 2 HA LEU 2 -13.436 2.390 2.181 16 1HB LEU 2 2HB LEU 2 -12.921 2.521 5.156 17 2HB LEU 2 1HB LEU 2 -11.600 2.518 3.988 18 HG LEU 2 HG LEU 2 -13.898 4.498 4.014 19 1HD1 LEU 2 1HD1 LEU 2 -11.628 4.390 5.658 20 2HD1 LEU 2 2HD1 LEU 2 -12.662 5.794 5.388 21 3HD1 LEU 2 3HD1 LEU 2 -11.218 5.558 4.403 22 1HD2 LEU 2 1HD2 LEU 2 -11.806 5.515 2.505 23 2HD2 LEU 2 2HD2 LEU 2 -13.260 4.758 1.852 24 3HD2 LEU 2 3HD2 LEU 2 -11.796 3.803 2.085 25 HA PRO 3 HA PRO 3 -13.153 -2.097 2.406 26 1HB PRO 3 2HB PRO 3 -11.993 -2.380 -0.060 27 2HB PRO 3 1HB PRO 3 -13.739 -2.160 0.169 28 1HG PRO 3 2HG PRO 3 -11.669 -0.168 -0.612 29 2HG PRO 3 1HG PRO 3 -13.327 -0.365 -1.204 30 1HD PRO 3 2HD PRO 3 -12.613 1.538 0.603 31 2HD PRO 3 1HD PRO 3 -14.234 0.807 0.543 32 H TRP 4 H TRP 4 -11.187 -3.589 2.016 33 HA TRP 4 HA TRP 4 -8.623 -2.156 2.635 34 1HB TRP 4 2HB TRP 4 -9.339 -4.846 3.775 35 2HB TRP 4 1HB TRP 4 -8.241 -3.631 4.424 36 HD1 TRP 4 HD1 TRP 4 -12.028 -4.088 3.789 37 HE1 TRP 4 1HE TRP 4 -13.311 -2.826 5.639 38 HE3 TRP 4 3HE TRP 4 -8.111 -1.987 6.301 39 HZ2 TRP 4 2HZ TRP 4 -12.745 -1.151 7.888 40 HZ3 TRP 4 3HZ TRP 4 -8.508 -0.567 8.293 41 HH2 TRP 4 HH2 TRP 4 -10.819 -0.147 9.089 42 H LYS 5 H LYS 5 -9.285 -2.909 0.056 43 HA LYS 5 HA LYS 5 -7.948 -5.504 -0.438 44 1HB LYS 5 2HB LYS 5 -9.643 -3.617 -2.071 45 2HB LYS 5 1HB LYS 5 -8.980 -5.117 -2.689 46 1HG LYS 5 2HG LYS 5 -11.012 -4.751 -0.488 47 2HG LYS 5 1HG LYS 5 -11.195 -5.663 -1.985 48 1HD LYS 5 2HD LYS 5 -9.394 -6.366 0.350 49 2HD LYS 5 1HD LYS 5 -10.850 -7.224 -0.154 50 1HE LYS 5 2HE LYS 5 -9.684 -7.564 -2.423 51 2HE LYS 5 1HE LYS 5 -8.195 -7.059 -1.598 52 1HZ LYS 5 1HZ LYS 5 -8.592 -9.484 -1.466 53 2HZ LYS 5 2HZ LYS 5 -10.025 -9.181 -0.607 54 3HZ LYS 5 3HZ LYS 5 -8.525 -8.741 0.056 55 H TRP 6 H TRP 6 -7.218 -2.287 -0.364 56 HA TRP 6 HA TRP 6 -5.578 -1.885 -2.650 57 1HB TRP 6 2HB TRP 6 -6.476 -0.120 -1.263 58 2HB TRP 6 1HB TRP 6 -5.634 -0.734 0.143 59 HD1 TRP 6 HD1 TRP 6 -3.002 -0.590 0.115 60 HE1 TRP 6 1HE TRP 6 -1.424 1.124 -1.045 61 HE3 TRP 6 3HE TRP 6 -6.218 1.235 -3.243 62 HZ2 TRP 6 2HZ TRP 6 -1.591 3.054 -3.202 63 HZ3 TRP 6 3HZ TRP 6 -5.558 3.012 -4.875 64 HH2 TRP 6 HH2 TRP 6 -3.242 3.916 -4.854 65 HA PRO 7 HA PRO 7 -2.063 -4.206 -1.309 66 1HB PRO 7 2HB PRO 7 -0.365 -3.461 -3.314 67 2HB PRO 7 1HB PRO 7 -1.742 -4.549 -3.562 68 1HG PRO 7 2HG PRO 7 -1.386 -1.778 -4.424 69 2HG PRO 7 1HG PRO 7 -2.536 -2.990 -4.995 70 1HD PRO 7 2HD PRO 7 -2.985 -0.819 -3.145 71 2HD PRO 7 1HD PRO 7 -4.163 -1.970 -3.813 72 H TRP 8 H TRP 8 0.571 -3.696 -1.474 73 HA TRP 8 HA TRP 8 2.165 -2.785 0.020 74 1HB TRP 8 2HB TRP 8 1.428 -0.427 -1.706 75 2HB TRP 8 1HB TRP 8 3.023 -0.934 -1.163 76 HD1 TRP 8 HD1 TRP 8 0.643 -1.346 -3.945 77 HE1 TRP 8 1HE TRP 8 1.487 -3.132 -5.607 78 HE3 TRP 8 3HE TRP 8 4.356 -3.405 -1.161 79 HZ2 TRP 8 2HZ TRP 8 3.489 -5.181 -5.718 80 HZ3 TRP 8 3HZ TRP 8 5.724 -5.276 -2.049 81 HH2 TRP 8 HH2 TRP 8 5.291 -6.168 -4.323 82 H TRP 9 H TRP 9 1.012 -2.718 2.055 83 HA TRP 9 HA TRP 9 -0.826 -0.905 3.006 84 1HB TRP 9 2HB TRP 9 -0.081 -2.636 4.416 85 2HB TRP 9 1HB TRP 9 1.606 -2.165 4.236 86 HD1 TRP 9 HD1 TRP 9 2.387 0.065 5.474 87 HE1 TRP 9 1HE TRP 9 1.496 1.222 7.599 88 HE3 TRP 9 3HE TRP 9 -2.173 -2.126 5.759 89 HZ2 TRP 9 2HZ TRP 9 -0.882 1.207 9.211 90 HZ3 TRP 9 3HZ TRP 9 -3.752 -1.551 7.589 91 HH2 TRP 9 HH2 TRP 9 -3.112 0.115 9.313 92 HA PRO 10 HA PRO 10 1.307 2.968 2.913 93 1HB PRO 10 2HB PRO 10 -0.698 4.439 4.050 94 2HB PRO 10 1HB PRO 10 -0.791 3.800 2.399 95 1HG PRO 10 2HG PRO 10 -2.279 2.994 4.765 96 2HG PRO 10 1HG PRO 10 -2.570 2.599 3.067 97 1HD PRO 10 2HD PRO 10 -1.280 0.999 5.124 98 2HD PRO 10 1HD PRO 10 -1.810 0.513 3.500 99 H TRP 11 H TRP 11 3.018 3.107 4.416 100 HA TRP 11 HA TRP 11 2.352 3.242 7.303 101 1HB TRP 11 2HB TRP 11 4.790 2.725 7.492 102 2HB TRP 11 1HB TRP 11 3.910 1.527 6.562 103 HD1 TRP 11 HD1 TRP 11 6.033 4.673 5.985 104 HE1 TRP 11 1HE TRP 11 7.218 4.412 3.694 105 HE3 TRP 11 3HE TRP 11 3.946 0.340 4.501 106 HZ2 TRP 11 2HZ TRP 11 7.240 2.543 1.497 107 HZ3 TRP 11 3HZ TRP 11 4.530 -0.701 2.309 108 HH2 TRP 11 HH2 TRP 11 6.176 0.403 0.810 109 H ARG 12 H ARG 12 4.473 4.659 8.242 110 HA ARG 12 HA ARG 12 3.810 7.403 7.550 111 1HB ARG 12 2HB ARG 12 4.342 6.696 9.826 112 2HB ARG 12 1HB ARG 12 5.930 6.130 9.310 113 1HG ARG 12 2HG ARG 12 6.769 8.190 9.634 114 2HG ARG 12 1HG ARG 12 5.643 8.833 8.438 115 1HD ARG 12 2HD ARG 12 5.158 8.509 11.418 116 2HD ARG 12 1HD ARG 12 5.192 10.020 10.488 117 HE ARG 12 HE ARG 12 3.271 8.537 9.184 118 1HH1 ARG 12 1HH2 ARG 12 3.862 9.384 12.480 119 2HH1 ARG 12 2HH2 ARG 12 2.183 9.403 12.909 120 1HH2 ARG 12 2HH1 ARG 12 1.081 8.576 9.729 121 2HH2 ARG 12 1HH1 ARG 12 0.611 8.947 11.354 122 H ARG 13 H ARG 13 4.703 6.348 5.178 123 HA ARG 13 HA ARG 13 6.362 6.561 3.496 124 1HB ARG 13 2HB ARG 13 5.608 8.927 4.428 125 2HB ARG 13 1HB ARG 13 7.274 8.989 5.007 126 1HG ARG 13 2HG ARG 13 8.113 9.254 2.917 127 2HG ARG 13 1HG ARG 13 7.021 8.049 2.231 128 1HD ARG 13 2HD ARG 13 6.172 9.973 1.227 129 2HD ARG 13 1HD ARG 13 5.211 9.972 2.719 130 HE ARG 13 HE ARG 13 7.840 11.351 2.776 131 1HH1 ARG 13 1HH1 ARG 13 5.924 12.963 1.180 132 2HH1 ARG 13 2HH1 ARG 13 5.147 13.930 2.388 133 1HH2 ARG 13 1HH2 ARG 13 6.188 11.938 5.029 134 2HH2 ARG 13 2HH2 ARG 13 5.295 13.349 4.569 135 1HN NH2 14 1HT ARG 13 8.920 8.187 4.356 136 2HN NH2 14 2HT ARG 13 9.894 7.012 5.104 Start of MODEL 13 1 1H ILE 1 1H ILE 1 -18.296 0.758 3.519 2 2H ILE 1 2H ILE 1 -19.049 1.474 4.864 3 3H ILE 1 3H ILE 1 -17.819 0.323 5.088 4 HA ILE 1 HA ILE 1 -17.557 3.105 4.098 5 HB ILE 1 HB ILE 1 -15.914 1.706 6.173 6 1HG1 ILE 1 2HG1 ILE 1 -18.269 1.123 6.716 7 2HG1 ILE 1 1HG1 ILE 1 -17.583 2.234 7.901 8 1HG2 ILE 1 1HG2 ILE 1 -16.708 4.245 7.021 9 2HG2 ILE 1 2HG2 ILE 1 -16.478 4.418 5.281 10 3HG2 ILE 1 3HG2 ILE 1 -15.157 3.828 6.290 11 1HD1 ILE 1 1HD1 ILE 1 -19.973 2.684 6.808 12 2HD1 ILE 1 2HD1 ILE 1 -18.987 3.411 5.539 13 3HD1 ILE 1 3HD1 ILE 1 -18.879 4.012 7.193 14 H LEU 2 H LEU 2 -14.827 3.280 4.298 15 HA LEU 2 HA LEU 2 -13.729 2.539 1.905 16 1HB LEU 2 2HB LEU 2 -11.568 2.686 3.060 17 2HB LEU 2 1HB LEU 2 -12.680 3.888 3.718 18 HG LEU 2 HG LEU 2 -13.203 1.670 5.279 19 1HD1 LEU 2 1HD1 LEU 2 -10.624 1.308 4.065 20 2HD1 LEU 2 2HD1 LEU 2 -11.442 0.272 5.234 21 3HD1 LEU 2 3HD1 LEU 2 -10.412 1.590 5.794 22 1HD2 LEU 2 1HD2 LEU 2 -11.929 2.910 7.019 23 2HD2 LEU 2 2HD2 LEU 2 -12.957 3.983 6.070 24 3HD2 LEU 2 3HD2 LEU 2 -11.222 3.921 5.759 25 HA PRO 3 HA PRO 3 -13.685 -1.893 1.975 26 1HB PRO 3 2HB PRO 3 -12.172 -2.249 -0.278 27 2HB PRO 3 1HB PRO 3 -13.880 -1.771 -0.330 28 1HG PRO 3 2HG PRO 3 -11.439 -0.111 -0.663 29 2HG PRO 3 1HG PRO 3 -13.001 -0.002 -1.489 30 1HD PRO 3 2HD PRO 3 -12.225 1.655 0.553 31 2HD PRO 3 1HD PRO 3 -13.919 1.297 0.148 32 H TRP 4 H TRP 4 -11.599 -3.511 1.277 33 HA TRP 4 HA TRP 4 -9.140 -2.483 2.599 34 1HB TRP 4 2HB TRP 4 -9.538 -5.056 3.653 35 2HB TRP 4 1HB TRP 4 -9.654 -3.530 4.521 36 HD1 TRP 4 HD1 TRP 4 -11.821 -6.108 2.688 37 HE1 TRP 4 1HE TRP 4 -14.263 -5.834 3.476 38 HE3 TRP 4 3HE TRP 4 -11.351 -1.914 5.552 39 HZ2 TRP 4 2HZ TRP 4 -15.812 -4.061 5.105 40 HZ3 TRP 4 3HZ TRP 4 -13.321 -0.950 6.710 41 HH2 TRP 4 HH2 TRP 4 -15.548 -2.017 6.488 42 H LYS 5 H LYS 5 -9.079 -2.876 0.001 43 HA LYS 5 HA LYS 5 -7.811 -5.556 -0.368 44 1HB LYS 5 2HB LYS 5 -10.058 -4.270 -1.670 45 2HB LYS 5 1HB LYS 5 -8.791 -4.639 -2.840 46 1HG LYS 5 2HG LYS 5 -8.866 -6.940 -2.389 47 2HG LYS 5 1HG LYS 5 -9.634 -6.700 -0.818 48 1HD LYS 5 2HD LYS 5 -11.688 -6.821 -1.729 49 2HD LYS 5 1HD LYS 5 -11.279 -5.595 -2.930 50 1HE LYS 5 2HE LYS 5 -9.985 -7.517 -4.133 51 2HE LYS 5 1HE LYS 5 -10.979 -8.591 -3.129 52 1HZ LYS 5 1HZ LYS 5 -12.346 -6.349 -4.387 53 2HZ LYS 5 2HZ LYS 5 -12.880 -7.942 -4.136 54 3HZ LYS 5 3HZ LYS 5 -11.840 -7.585 -5.430 55 H TRP 6 H TRP 6 -7.033 -2.512 0.004 56 HA TRP 6 HA TRP 6 -5.525 -1.830 -2.346 57 1HB TRP 6 2HB TRP 6 -6.437 -0.215 -0.789 58 2HB TRP 6 1HB TRP 6 -5.524 -0.914 0.532 59 HD1 TRP 6 HD1 TRP 6 -2.903 -0.666 0.443 60 HE1 TRP 6 1HE TRP 6 -1.417 1.162 -0.659 61 HE3 TRP 6 3HE TRP 6 -6.279 1.254 -2.701 62 HZ2 TRP 6 2HZ TRP 6 -1.708 3.210 -2.686 63 HZ3 TRP 6 3HZ TRP 6 -5.720 3.144 -4.243 64 HH2 TRP 6 HH2 TRP 6 -3.432 4.117 -4.234 65 HA PRO 7 HA PRO 7 -1.914 -4.146 -1.249 66 1HB PRO 7 2HB PRO 7 -0.351 -3.292 -3.330 67 2HB PRO 7 1HB PRO 7 -1.708 -4.416 -3.531 68 1HG PRO 7 2HG PRO 7 -1.481 -1.620 -4.342 69 2HG PRO 7 1HG PRO 7 -2.639 -2.845 -4.864 70 1HD PRO 7 2HD PRO 7 -2.997 -0.730 -2.922 71 2HD PRO 7 1HD PRO 7 -4.199 -1.867 -3.567 72 H TRP 8 H TRP 8 0.720 -3.469 -1.606 73 HA TRP 8 HA TRP 8 2.369 -2.520 -0.206 74 1HB TRP 8 2HB TRP 8 1.267 -0.150 -1.709 75 2HB TRP 8 1HB TRP 8 2.942 -0.499 -1.298 76 HD1 TRP 8 HD1 TRP 8 0.464 -0.997 -3.960 77 HE1 TRP 8 1HE TRP 8 1.379 -2.591 -5.773 78 HE3 TRP 8 3HE TRP 8 4.497 -2.844 -1.499 79 HZ2 TRP 8 2HZ TRP 8 3.557 -4.424 -6.112 80 HZ3 TRP 8 3HZ TRP 8 5.986 -4.515 -2.569 81 HH2 TRP 8 HH2 TRP 8 5.517 -5.311 -4.872 82 H TRP 9 H TRP 9 1.421 -2.668 1.925 83 HA TRP 9 HA TRP 9 -0.435 -1.131 3.221 84 1HB TRP 9 2HB TRP 9 0.712 -2.785 4.429 85 2HB TRP 9 1HB TRP 9 2.289 -2.123 4.008 86 HD1 TRP 9 HD1 TRP 9 2.983 0.192 5.186 87 HE1 TRP 9 1HE TRP 9 2.342 1.148 7.497 88 HE3 TRP 9 3HE TRP 9 -1.117 -2.629 6.157 89 HZ2 TRP 9 2HZ TRP 9 0.324 0.751 9.500 90 HZ3 TRP 9 3HZ TRP 9 -2.397 -2.338 8.265 91 HH2 TRP 9 HH2 TRP 9 -1.682 -0.648 9.935 92 HA PRO 10 HA PRO 10 1.141 2.995 3.038 93 1HB PRO 10 2HB PRO 10 -0.795 4.134 4.599 94 2HB PRO 10 1HB PRO 10 -1.099 3.558 2.951 95 1HG PRO 10 2HG PRO 10 -2.031 2.464 5.477 96 2HG PRO 10 1HG PRO 10 -2.561 2.095 3.832 97 1HD PRO 10 2HD PRO 10 -0.730 0.618 5.540 98 2HD PRO 10 1HD PRO 10 -1.475 0.116 4.011 99 H TRP 11 H TRP 11 3.018 3.477 4.201 100 HA TRP 11 HA TRP 11 2.878 3.454 7.173 101 1HB TRP 11 2HB TRP 11 5.274 2.984 7.011 102 2HB TRP 11 1HB TRP 11 4.373 1.829 6.058 103 HD1 TRP 11 HD1 TRP 11 6.405 5.046 5.641 104 HE1 TRP 11 1HE TRP 11 7.337 5.075 3.221 105 HE3 TRP 11 3HE TRP 11 4.095 0.946 3.852 106 HZ2 TRP 11 2HZ TRP 11 7.088 3.503 0.810 107 HZ3 TRP 11 3HZ TRP 11 4.423 0.195 1.493 108 HH2 TRP 11 HH2 TRP 11 5.917 1.474 -0.023 109 H ARG 12 H ARG 12 5.114 4.974 7.676 110 HA ARG 12 HA ARG 12 4.177 7.677 7.258 111 1HB ARG 12 2HB ARG 12 5.389 6.864 9.258 112 2HB ARG 12 1HB ARG 12 6.817 6.567 8.268 113 1HG ARG 12 2HG ARG 12 5.932 9.244 7.776 114 2HG ARG 12 1HG ARG 12 6.031 9.005 9.522 115 1HD ARG 12 2HD ARG 12 8.349 7.993 9.125 116 2HD ARG 12 1HD ARG 12 8.234 8.633 7.474 117 HE ARG 12 HE ARG 12 7.804 10.894 8.567 118 1HH1 ARG 12 1HH2 ARG 12 10.448 9.077 9.214 119 2HH1 ARG 12 2HH2 ARG 12 10.822 9.778 10.753 120 1HH2 ARG 12 2HH1 ARG 12 7.819 11.490 11.003 121 2HH2 ARG 12 1HH1 ARG 12 9.335 11.145 11.765 122 H ARG 13 H ARG 13 4.390 6.781 4.700 123 HA ARG 13 HA ARG 13 7.003 7.208 3.499 124 1HB ARG 13 2HB ARG 13 4.736 5.957 2.771 125 2HB ARG 13 1HB ARG 13 4.463 7.498 1.957 126 1HG ARG 13 2HG ARG 13 7.121 6.121 1.689 127 2HG ARG 13 1HG ARG 13 5.762 5.603 0.695 128 1HD ARG 13 2HD ARG 13 5.557 7.754 -0.330 129 2HD ARG 13 1HD ARG 13 6.623 8.504 0.875 130 HE ARG 13 HE ARG 13 7.498 6.704 -1.316 131 1HH1 ARG 13 1HH1 ARG 13 8.223 8.085 1.741 132 2HH1 ARG 13 2HH1 ARG 13 9.907 8.297 1.403 133 1HH2 ARG 13 1HH2 ARG 13 9.668 7.161 -1.863 134 2HH2 ARG 13 2HH2 ARG 13 10.727 7.773 -0.637 135 1HN NH2 14 1HT ARG 13 3.973 9.195 3.458 136 2HN NH2 14 2HT ARG 13 4.760 10.665 3.143 Start of MODEL 14 1 1H ILE 1 1H ILE 1 -19.039 -0.183 -1.076 2 2H ILE 1 2H ILE 1 -19.258 -0.177 0.608 3 3H ILE 1 3H ILE 1 -17.902 -0.946 -0.073 4 HA ILE 1 HA ILE 1 -17.381 1.405 -1.020 5 HB ILE 1 HB ILE 1 -18.983 2.065 1.442 6 1HG1 ILE 1 2HG1 ILE 1 -20.480 1.011 -0.236 7 2HG1 ILE 1 1HG1 ILE 1 -20.827 2.729 -0.041 8 1HG2 ILE 1 1HG2 ILE 1 -18.747 4.299 0.748 9 2HG2 ILE 1 2HG2 ILE 1 -18.372 3.839 -0.912 10 3HG2 ILE 1 3HG2 ILE 1 -17.178 3.594 0.364 11 1HD1 ILE 1 1HD1 ILE 1 -19.666 3.286 -2.061 12 2HD1 ILE 1 2HD1 ILE 1 -20.699 1.911 -2.450 13 3HD1 ILE 1 3HD1 ILE 1 -18.972 1.669 -2.184 14 H LEU 2 H LEU 2 -15.632 2.486 0.159 15 HA LEU 2 HA LEU 2 -13.758 2.436 1.600 16 1HB LEU 2 2HB LEU 2 -15.878 1.340 3.478 17 2HB LEU 2 1HB LEU 2 -14.387 2.155 3.951 18 HG LEU 2 HG LEU 2 -16.708 3.361 2.421 19 1HD1 LEU 2 1HD1 LEU 2 -17.392 3.694 4.567 20 2HD1 LEU 2 2HD1 LEU 2 -16.162 4.958 4.581 21 3HD1 LEU 2 3HD1 LEU 2 -15.792 3.359 5.226 22 1HD2 LEU 2 1HD2 LEU 2 -14.860 4.415 1.446 23 2HD2 LEU 2 2HD2 LEU 2 -13.890 4.291 2.914 24 3HD2 LEU 2 3HD2 LEU 2 -15.195 5.475 2.815 25 HA PRO 3 HA PRO 3 -13.434 -2.161 0.945 26 1HB PRO 3 2HB PRO 3 -11.353 -2.041 -0.827 27 2HB PRO 3 1HB PRO 3 -13.053 -1.960 -1.327 28 1HG PRO 3 2HG PRO 3 -11.074 0.235 -0.993 29 2HG PRO 3 1HG PRO 3 -12.329 0.024 -2.223 30 1HD PRO 3 2HD PRO 3 -12.583 1.703 -0.090 31 2HD PRO 3 1HD PRO 3 -13.960 0.929 -0.900 32 H TRP 4 H TRP 4 -11.328 -3.460 1.264 33 HA TRP 4 HA TRP 4 -9.223 -1.986 2.759 34 1HB TRP 4 2HB TRP 4 -9.987 -4.414 4.157 35 2HB TRP 4 1HB TRP 4 -9.854 -2.777 4.785 36 HD1 TRP 4 HD1 TRP 4 -12.349 -5.184 3.175 37 HE1 TRP 4 1HE TRP 4 -14.739 -4.328 3.633 38 HE3 TRP 4 3HE TRP 4 -11.275 -0.684 5.336 39 HZ2 TRP 4 2HZ TRP 4 -16.024 -2.035 4.765 40 HZ3 TRP 4 3HZ TRP 4 -13.096 0.816 6.093 41 HH2 TRP 4 HH2 TRP 4 -15.468 0.147 5.811 42 H LYS 5 H LYS 5 -9.094 -3.180 0.254 43 HA LYS 5 HA LYS 5 -7.353 -5.560 0.774 44 1HB LYS 5 2HB LYS 5 -9.672 -5.090 -0.960 45 2HB LYS 5 1HB LYS 5 -8.291 -5.769 -1.816 46 1HG LYS 5 2HG LYS 5 -8.311 -7.732 -0.574 47 2HG LYS 5 1HG LYS 5 -9.060 -6.956 0.823 48 1HD LYS 5 2HD LYS 5 -11.197 -7.122 -0.052 49 2HD LYS 5 1HD LYS 5 -10.627 -7.105 -1.721 50 1HE LYS 5 2HE LYS 5 -9.868 -9.426 0.030 51 2HE LYS 5 1HE LYS 5 -11.495 -9.371 -0.675 52 1HZ LYS 5 1HZ LYS 5 -10.678 -9.354 -2.807 53 2HZ LYS 5 2HZ LYS 5 -9.532 -10.353 -2.048 54 3HZ LYS 5 3HZ LYS 5 -9.172 -8.721 -2.354 55 H TRP 6 H TRP 6 -7.081 -2.498 0.208 56 HA TRP 6 HA TRP 6 -5.795 -2.064 -2.261 57 1HB TRP 6 2HB TRP 6 -6.625 -0.339 -0.792 58 2HB TRP 6 1HB TRP 6 -5.543 -0.839 0.489 59 HD1 TRP 6 HD1 TRP 6 -2.971 -0.487 0.082 60 HE1 TRP 6 1HE TRP 6 -1.716 1.313 -1.324 61 HE3 TRP 6 3HE TRP 6 -6.775 0.999 -2.807 62 HZ2 TRP 6 2HZ TRP 6 -2.345 3.164 -3.462 63 HZ3 TRP 6 3HZ TRP 6 -6.494 2.774 -4.545 64 HH2 TRP 6 HH2 TRP 6 -4.276 3.854 -4.870 65 HA PRO 7 HA PRO 7 -1.925 -4.027 -1.473 66 1HB PRO 7 2HB PRO 7 -0.593 -3.084 -3.680 67 2HB PRO 7 1HB PRO 7 -1.865 -4.313 -3.752 68 1HG PRO 7 2HG PRO 7 -1.929 -1.527 -4.612 69 2HG PRO 7 1HG PRO 7 -3.024 -2.850 -5.019 70 1HD PRO 7 2HD PRO 7 -3.400 -0.733 -3.094 71 2HD PRO 7 1HD PRO 7 -4.546 -1.989 -3.606 72 H TRP 8 H TRP 8 0.633 -3.132 -2.105 73 HA TRP 8 HA TRP 8 2.330 -2.111 -0.807 74 1HB TRP 8 2HB TRP 8 0.996 0.338 -1.924 75 2HB TRP 8 1HB TRP 8 2.705 -0.080 -1.876 76 HD1 TRP 8 HD1 TRP 8 -0.333 -0.395 -3.974 77 HE1 TRP 8 1HE TRP 8 0.197 -1.718 -6.128 78 HE3 TRP 8 3HE TRP 8 4.252 -2.182 -2.751 79 HZ2 TRP 8 2HZ TRP 8 2.317 -3.343 -7.175 80 HZ3 TRP 8 3HZ TRP 8 5.519 -3.622 -4.323 81 HH2 TRP 8 HH2 TRP 8 4.554 -4.208 -6.532 82 H TRP 9 H TRP 9 1.443 -2.552 1.362 83 HA TRP 9 HA TRP 9 -0.379 -1.201 2.881 84 1HB TRP 9 2HB TRP 9 0.763 -2.877 3.983 85 2HB TRP 9 1HB TRP 9 2.326 -2.349 3.371 86 HD1 TRP 9 HD1 TRP 9 3.314 -0.068 4.464 87 HE1 TRP 9 1HE TRP 9 3.136 0.801 6.887 88 HE3 TRP 9 3HE TRP 9 -0.687 -2.767 6.029 89 HZ2 TRP 9 2HZ TRP 9 1.480 0.387 9.200 90 HZ3 TRP 9 3HZ TRP 9 -1.562 -2.525 8.340 91 HH2 TRP 9 HH2 TRP 9 -0.486 -0.947 9.923 92 HA PRO 10 HA PRO 10 1.100 2.957 3.120 93 1HB PRO 10 2HB PRO 10 -0.756 3.842 4.921 94 2HB PRO 10 1HB PRO 10 -1.156 3.457 3.238 95 1HG PRO 10 2HG PRO 10 -1.894 2.040 5.665 96 2HG PRO 10 1HG PRO 10 -2.527 1.858 4.026 97 1HD PRO 10 2HD PRO 10 -0.556 0.235 5.419 98 2HD PRO 10 1HD PRO 10 -1.390 -0.093 3.887 99 H TRP 11 H TRP 11 2.883 3.662 4.279 100 HA TRP 11 HA TRP 11 3.165 2.858 7.124 101 1HB TRP 11 2HB TRP 11 5.558 3.292 6.635 102 2HB TRP 11 1HB TRP 11 4.867 2.142 5.509 103 HD1 TRP 11 HD1 TRP 11 5.588 5.906 5.738 104 HE1 TRP 11 1HE TRP 11 6.042 6.758 3.328 105 HE3 TRP 11 3HE TRP 11 4.653 1.655 3.208 106 HZ2 TRP 11 2HZ TRP 11 5.992 5.702 0.640 107 HZ3 TRP 11 3HZ TRP 11 4.847 1.554 0.719 108 HH2 TRP 11 HH2 TRP 11 5.513 3.577 -0.561 109 H ARG 12 H ARG 12 4.955 4.808 7.919 110 HA ARG 12 HA ARG 12 3.458 7.368 7.553 111 1HB ARG 12 2HB ARG 12 3.094 6.020 9.706 112 2HB ARG 12 1HB ARG 12 4.769 6.411 10.105 113 1HG ARG 12 2HG ARG 12 4.334 8.733 10.164 114 2HG ARG 12 1HG ARG 12 2.792 8.547 9.326 115 1HD ARG 12 2HD ARG 12 1.673 8.050 11.256 116 2HD ARG 12 1HD ARG 12 2.993 7.029 11.861 117 HE ARG 12 HE ARG 12 3.844 8.924 12.977 118 1HH1 ARG 12 2HH1 ARG 12 0.980 9.880 11.625 119 2HH1 ARG 12 1HH1 ARG 12 1.407 11.545 11.409 120 1HH2 ARG 12 1HH2 ARG 12 4.757 11.058 12.158 121 2HH2 ARG 12 2HH2 ARG 12 3.545 12.212 11.710 122 H ARG 13 H ARG 13 5.256 7.728 5.927 123 HA ARG 13 HA ARG 13 7.775 8.616 7.301 124 1HB ARG 13 2HB ARG 13 7.916 6.580 5.818 125 2HB ARG 13 1HB ARG 13 7.419 7.596 4.466 126 1HG ARG 13 2HG ARG 13 9.510 8.385 4.217 127 2HG ARG 13 1HG ARG 13 9.576 8.862 5.914 128 1HD ARG 13 2HD ARG 13 9.860 6.186 6.205 129 2HD ARG 13 1HD ARG 13 10.608 6.395 4.610 130 HE ARG 13 HE ARG 13 11.835 7.200 7.028 131 1HH1 ARG 13 1HH1 ARG 13 12.792 7.348 4.049 132 2HH1 ARG 13 2HH1 ARG 13 13.250 9.017 3.976 133 1HH2 ARG 13 1HH2 ARG 13 11.621 9.868 6.916 134 2HH2 ARG 13 2HH2 ARG 13 12.588 10.444 5.599 135 1HN NH2 14 1HT ARG 13 8.809 10.546 6.206 136 2HN NH2 14 2HT ARG 13 7.831 11.652 5.368 Start of MODEL 15 1 1H ILE 1 1H ILE 1 -20.458 0.388 0.980 2 2H ILE 1 2H ILE 1 -19.096 1.204 1.583 3 3H ILE 1 3H ILE 1 -19.009 -0.457 1.236 4 HA ILE 1 HA ILE 1 -19.230 -0.043 -1.107 5 HB ILE 1 HB ILE 1 -19.539 2.800 -0.153 6 1HG1 ILE 1 2HG1 ILE 1 -21.751 2.014 -1.689 7 2HG1 ILE 1 1HG1 ILE 1 -21.424 0.645 -0.626 8 1HG2 ILE 1 1HG2 ILE 1 -18.447 2.920 -2.252 9 2HG2 ILE 1 2HG2 ILE 1 -20.158 3.110 -2.641 10 3HG2 ILE 1 3HG2 ILE 1 -19.363 1.557 -2.895 11 1HD1 ILE 1 1HD1 ILE 1 -22.219 1.760 1.161 12 2HD1 ILE 1 2HD1 ILE 1 -22.748 3.032 0.059 13 3HD1 ILE 1 3HD1 ILE 1 -21.165 3.135 0.828 14 H LEU 2 H LEU 2 -17.236 0.193 1.266 15 HA LEU 2 HA LEU 2 -14.964 1.222 -0.393 16 1HB LEU 2 2HB LEU 2 -15.305 1.643 2.587 17 2HB LEU 2 1HB LEU 2 -14.140 2.423 1.519 18 HG LEU 2 HG LEU 2 -17.150 2.751 1.369 19 1HD1 LEU 2 1HD1 LEU 2 -14.994 4.710 2.214 20 2HD1 LEU 2 2HD1 LEU 2 -16.063 3.856 3.327 21 3HD1 LEU 2 3HD1 LEU 2 -16.731 5.015 2.178 22 1HD2 LEU 2 1HD2 LEU 2 -15.593 4.732 -0.030 23 2HD2 LEU 2 2HD2 LEU 2 -16.815 3.636 -0.676 24 3HD2 LEU 2 3HD2 LEU 2 -15.129 3.124 -0.586 25 HA PRO 3 HA PRO 3 -13.740 -2.918 0.893 26 1HB PRO 3 2HB PRO 3 -11.663 -3.108 -0.879 27 2HB PRO 3 1HB PRO 3 -13.352 -3.393 -1.339 28 1HG PRO 3 2HG PRO 3 -11.662 -0.979 -1.748 29 2HG PRO 3 1HG PRO 3 -12.854 -1.719 -2.828 30 1HD PRO 3 2HD PRO 3 -13.363 0.500 -1.330 31 2HD PRO 3 1HD PRO 3 -14.617 -0.660 -1.821 32 H TRP 4 H TRP 4 -11.376 -3.771 1.401 33 HA TRP 4 HA TRP 4 -9.590 -1.620 2.416 34 1HB TRP 4 2HB TRP 4 -10.058 -3.783 4.354 35 2HB TRP 4 1HB TRP 4 -9.985 -2.045 4.619 36 HD1 TRP 4 HD1 TRP 4 -12.430 -4.723 3.305 37 HE1 TRP 4 1HE TRP 4 -14.838 -3.927 3.794 38 HE3 TRP 4 3HE TRP 4 -11.456 -0.104 5.245 39 HZ2 TRP 4 2HZ TRP 4 -16.169 -1.634 4.869 40 HZ3 TRP 4 3HZ TRP 4 -13.307 1.365 5.993 41 HH2 TRP 4 HH2 TRP 4 -15.660 0.608 5.807 42 H LYS 5 H LYS 5 -9.150 -3.334 0.283 43 HA LYS 5 HA LYS 5 -7.135 -5.258 1.376 44 1HB LYS 5 2HB LYS 5 -9.279 -5.400 -0.665 45 2HB LYS 5 1HB LYS 5 -7.766 -6.199 -1.074 46 1HG LYS 5 2HG LYS 5 -8.043 -7.820 0.515 47 2HG LYS 5 1HG LYS 5 -8.736 -6.687 1.678 48 1HD LYS 5 2HD LYS 5 -10.770 -7.510 1.191 49 2HD LYS 5 1HD LYS 5 -10.597 -6.862 -0.439 50 1HE LYS 5 2HE LYS 5 -10.372 -8.947 -1.299 51 2HE LYS 5 1HE LYS 5 -9.076 -9.327 -0.146 52 1HZ LYS 5 1HZ LYS 5 -10.740 -9.698 1.561 53 2HZ LYS 5 2HZ LYS 5 -11.036 -10.715 0.233 54 3HZ LYS 5 3HZ LYS 5 -11.985 -9.326 0.472 55 H TRP 6 H TRP 6 -7.198 -2.365 0.194 56 HA TRP 6 HA TRP 6 -5.885 -2.091 -2.219 57 1HB TRP 6 2HB TRP 6 -6.696 -0.267 -0.902 58 2HB TRP 6 1HB TRP 6 -5.646 -0.678 0.437 59 HD1 TRP 6 HD1 TRP 6 -3.058 -0.384 0.042 60 HE1 TRP 6 1HE TRP 6 -1.771 1.337 -1.430 61 HE3 TRP 6 3HE TRP 6 -6.809 0.981 -2.968 62 HZ2 TRP 6 2HZ TRP 6 -2.357 3.088 -3.661 63 HZ3 TRP 6 3HZ TRP 6 -6.493 2.672 -4.783 64 HH2 TRP 6 HH2 TRP 6 -4.264 3.720 -5.128 65 HA PRO 7 HA PRO 7 -1.959 -3.936 -1.457 66 1HB PRO 7 2HB PRO 7 -0.679 -3.034 -3.713 67 2HB PRO 7 1HB PRO 7 -1.923 -4.293 -3.724 68 1HG PRO 7 2HG PRO 7 -2.066 -1.524 -4.649 69 2HG PRO 7 1HG PRO 7 -3.108 -2.894 -5.038 70 1HD PRO 7 2HD PRO 7 -3.601 -0.754 -3.188 71 2HD PRO 7 1HD PRO 7 -4.667 -2.108 -3.619 72 H TRP 8 H TRP 8 0.579 -2.985 -2.184 73 HA TRP 8 HA TRP 8 2.280 -1.906 -0.931 74 1HB TRP 8 2HB TRP 8 0.901 0.531 -1.988 75 2HB TRP 8 1HB TRP 8 2.598 0.077 -2.074 76 HD1 TRP 8 HD1 TRP 8 -0.653 -0.255 -3.871 77 HE1 TRP 8 1HE TRP 8 -0.309 -1.516 -6.099 78 HE3 TRP 8 3HE TRP 8 4.098 -1.898 -3.181 79 HZ2 TRP 8 2HZ TRP 8 1.741 -3.040 -7.402 80 HZ3 TRP 8 3HZ TRP 8 5.239 -3.257 -4.916 81 HH2 TRP 8 HH2 TRP 8 4.063 -3.832 -7.024 82 H TRP 9 H TRP 9 1.349 -2.389 1.249 83 HA TRP 9 HA TRP 9 -0.463 -0.934 2.727 84 1HB TRP 9 2HB TRP 9 0.527 -2.802 3.720 85 2HB TRP 9 1HB TRP 9 2.155 -2.250 3.343 86 HD1 TRP 9 HD1 TRP 9 3.079 -0.158 4.773 87 HE1 TRP 9 1HE TRP 9 2.588 0.535 7.212 88 HE3 TRP 9 3HE TRP 9 -1.231 -2.726 5.525 89 HZ2 TRP 9 2HZ TRP 9 0.595 0.049 9.221 90 HZ3 TRP 9 3HZ TRP 9 -2.422 -2.607 7.701 91 HH2 TRP 9 HH2 TRP 9 -1.516 -1.219 9.546 92 HA PRO 10 HA PRO 10 1.397 3.054 3.167 93 1HB PRO 10 2HB PRO 10 -0.480 4.073 4.877 94 2HB PRO 10 1HB PRO 10 -0.804 3.777 3.158 95 1HG PRO 10 2HG PRO 10 -1.839 2.379 5.485 96 2HG PRO 10 1HG PRO 10 -2.371 2.300 3.802 97 1HD PRO 10 2HD PRO 10 -0.666 0.461 5.272 98 2HD PRO 10 1HD PRO 10 -1.425 0.246 3.683 99 H TRP 11 H TRP 11 3.273 3.230 4.413 100 HA TRP 11 HA TRP 11 3.139 2.560 7.302 101 1HB TRP 11 2HB TRP 11 5.613 2.385 6.977 102 2HB TRP 11 1HB TRP 11 4.706 1.313 5.929 103 HD1 TRP 11 HD1 TRP 11 6.362 4.769 5.838 104 HE1 TRP 11 1HE TRP 11 7.114 5.219 3.397 105 HE3 TRP 11 3HE TRP 11 4.447 0.661 3.647 106 HZ2 TRP 11 2HZ TRP 11 6.894 3.938 0.821 107 HZ3 TRP 11 3HZ TRP 11 4.703 0.254 1.200 108 HH2 TRP 11 HH2 TRP 11 5.925 1.894 -0.213 109 H ARG 12 H ARG 12 5.252 4.017 8.225 110 HA ARG 12 HA ARG 12 5.627 6.143 9.180 111 1HB ARG 12 2HB ARG 12 6.929 6.105 7.121 112 2HB ARG 12 1HB ARG 12 5.514 6.591 6.188 113 1HG ARG 12 2HG ARG 12 5.575 8.551 8.070 114 2HG ARG 12 1HG ARG 12 7.297 8.210 7.895 115 1HD ARG 12 2HD ARG 12 6.615 8.268 5.282 116 2HD ARG 12 1HD ARG 12 5.399 9.390 5.925 117 HE ARG 12 HE ARG 12 8.318 9.700 6.524 118 1HH1 ARG 12 1HH2 ARG 12 5.720 11.218 7.594 119 2HH1 ARG 12 2HH2 ARG 12 5.961 12.735 6.796 120 1HH2 ARG 12 2HH1 ARG 12 8.417 11.528 4.666 121 2HH2 ARG 12 1HH1 ARG 12 7.489 12.911 5.138 122 H ARG 13 H ARG 13 3.260 6.044 9.999 123 HA ARG 13 HA ARG 13 1.094 7.318 8.682 124 1HB ARG 13 2HB ARG 13 1.732 6.180 11.186 125 2HB ARG 13 1HB ARG 13 1.144 7.805 11.540 126 1HG ARG 13 2HG ARG 13 -0.750 7.197 9.826 127 2HG ARG 13 1HG ARG 13 -0.281 5.535 10.182 128 1HD ARG 13 2HD ARG 13 -0.413 6.552 12.711 129 2HD ARG 13 1HD ARG 13 -1.682 7.495 11.904 130 HE ARG 13 HE ARG 13 -1.678 4.597 11.341 131 1HH1 ARG 13 1HH1 ARG 13 -2.321 5.743 14.248 132 2HH1 ARG 13 2HH1 ARG 13 -4.048 5.620 14.201 133 1HH2 ARG 13 1HH2 ARG 13 -4.180 5.089 10.775 134 2HH2 ARG 13 2HH2 ARG 13 -5.099 5.250 12.234 135 1HN NH2 14 1HT ARG 13 0.185 9.516 9.962 136 2HN NH2 14 2HT ARG 13 1.285 10.808 9.907 Start of MODEL 16 1 1H ILE 1 1H ILE 1 -18.991 2.456 2.628 2 2H ILE 1 2H ILE 1 -18.131 1.077 2.133 3 3H ILE 1 3H ILE 1 -18.808 2.120 0.976 4 HA ILE 1 HA ILE 1 -17.232 3.786 1.347 5 HB ILE 1 HB ILE 1 -15.747 3.483 3.442 6 1HG1 ILE 1 2HG1 ILE 1 -18.001 1.870 4.556 7 2HG1 ILE 1 1HG1 ILE 1 -16.805 1.023 3.574 8 1HG2 ILE 1 1HG2 ILE 1 -18.498 4.422 3.148 9 2HG2 ILE 1 2HG2 ILE 1 -17.141 5.178 3.985 10 3HG2 ILE 1 3HG2 ILE 1 -18.125 3.969 4.810 11 1HD1 ILE 1 1HD1 ILE 1 -15.097 1.395 5.079 12 2HD1 ILE 1 2HD1 ILE 1 -16.457 1.370 6.201 13 3HD1 ILE 1 3HD1 ILE 1 -15.793 2.910 5.654 14 H LEU 2 H LEU 2 -14.771 3.634 1.151 15 HA LEU 2 HA LEU 2 -13.860 1.833 -0.718 16 1HB LEU 2 2HB LEU 2 -11.620 2.382 0.136 17 2HB LEU 2 1HB LEU 2 -12.659 3.807 0.212 18 HG LEU 2 HG LEU 2 -13.110 2.534 2.647 19 1HD1 LEU 2 1HD1 LEU 2 -10.387 2.665 3.162 20 2HD1 LEU 2 2HD1 LEU 2 -10.461 1.845 1.602 21 3HD1 LEU 2 3HD1 LEU 2 -11.327 1.182 2.989 22 1HD2 LEU 2 1HD2 LEU 2 -11.884 4.454 3.573 23 2HD2 LEU 2 2HD2 LEU 2 -12.870 4.969 2.207 24 3HD2 LEU 2 3HD2 LEU 2 -11.133 4.748 2.006 25 HA PRO 3 HA PRO 3 -13.810 -2.099 1.280 26 1HB PRO 3 2HB PRO 3 -12.126 -3.395 -0.444 27 2HB PRO 3 1HB PRO 3 -13.809 -3.006 -0.849 28 1HG PRO 3 2HG PRO 3 -11.300 -1.628 -1.657 29 2HG PRO 3 1HG PRO 3 -12.779 -1.919 -2.585 30 1HD PRO 3 2HD PRO 3 -12.151 0.480 -1.430 31 2HD PRO 3 1HD PRO 3 -13.813 -0.055 -1.767 32 H TRP 4 H TRP 4 -11.746 -3.844 1.565 33 HA TRP 4 HA TRP 4 -9.511 -2.249 2.778 34 1HB TRP 4 2HB TRP 4 -10.030 -4.786 4.094 35 2HB TRP 4 1HB TRP 4 -9.953 -3.173 4.793 36 HD1 TRP 4 HD1 TRP 4 -12.430 -5.521 3.005 37 HE1 TRP 4 1HE TRP 4 -14.820 -4.892 3.741 38 HE3 TRP 4 3HE TRP 4 -11.423 -1.394 5.838 39 HZ2 TRP 4 2HZ TRP 4 -16.132 -2.899 5.323 40 HZ3 TRP 4 3HZ TRP 4 -13.257 -0.150 6.947 41 HH2 TRP 4 HH2 TRP 4 -15.609 -0.897 6.693 42 H LYS 5 H LYS 5 -9.233 -3.209 0.245 43 HA LYS 5 HA LYS 5 -7.459 -5.594 0.601 44 1HB LYS 5 2HB LYS 5 -9.770 -5.075 -1.107 45 2HB LYS 5 1HB LYS 5 -8.355 -5.582 -2.028 46 1HG LYS 5 2HG LYS 5 -8.161 -7.619 -0.811 47 2HG LYS 5 1HG LYS 5 -9.259 -7.055 0.450 48 1HD LYS 5 2HD LYS 5 -10.963 -8.005 -0.670 49 2HD LYS 5 1HD LYS 5 -10.686 -6.863 -1.986 50 1HE LYS 5 2HE LYS 5 -8.685 -8.681 -2.446 51 2HE LYS 5 1HE LYS 5 -9.975 -9.725 -1.816 52 1HZ LYS 5 1HZ LYS 5 -11.439 -8.202 -3.337 53 2HZ LYS 5 2HZ LYS 5 -10.628 -9.546 -3.986 54 3HZ LYS 5 3HZ LYS 5 -9.983 -7.985 -4.179 55 H TRP 6 H TRP 6 -7.207 -2.499 0.301 56 HA TRP 6 HA TRP 6 -5.894 -1.850 -2.109 57 1HB TRP 6 2HB TRP 6 -6.734 -0.251 -0.513 58 2HB TRP 6 1HB TRP 6 -5.673 -0.864 0.738 59 HD1 TRP 6 HD1 TRP 6 -3.088 -0.496 0.390 60 HE1 TRP 6 1HE TRP 6 -1.811 1.413 -0.834 61 HE3 TRP 6 3HE TRP 6 -6.845 1.245 -2.410 62 HZ2 TRP 6 2HZ TRP 6 -2.403 3.445 -2.813 63 HZ3 TRP 6 3HZ TRP 6 -6.536 3.165 -3.983 64 HH2 TRP 6 HH2 TRP 6 -4.313 4.260 -4.184 65 HA PRO 7 HA PRO 7 -2.044 -3.901 -1.417 66 1HB PRO 7 2HB PRO 7 -0.709 -2.873 -3.574 67 2HB PRO 7 1HB PRO 7 -2.000 -4.080 -3.708 68 1HG PRO 7 2HG PRO 7 -2.027 -1.251 -4.429 69 2HG PRO 7 1HG PRO 7 -3.137 -2.537 -4.905 70 1HD PRO 7 2HD PRO 7 -3.488 -0.515 -2.872 71 2HD PRO 7 1HD PRO 7 -4.652 -1.727 -3.448 72 H TRP 8 H TRP 8 0.497 -3.114 -1.915 73 HA TRP 8 HA TRP 8 2.205 -2.169 -0.570 74 1HB TRP 8 2HB TRP 8 1.071 0.307 -1.840 75 2HB TRP 8 1HB TRP 8 2.750 -0.200 -1.690 76 HD1 TRP 8 HD1 TRP 8 -0.196 -0.428 -3.927 77 HE1 TRP 8 1HE TRP 8 0.360 -1.863 -5.999 78 HE3 TRP 8 3HE TRP 8 4.213 -2.429 -2.407 79 HZ2 TRP 8 2HZ TRP 8 2.425 -3.644 -6.879 80 HZ3 TRP 8 3HZ TRP 8 5.467 -3.997 -3.864 81 HH2 TRP 8 HH2 TRP 8 4.576 -4.610 -6.097 82 H TRP 9 H TRP 9 1.314 -2.425 1.596 83 HA TRP 9 HA TRP 9 -0.506 -0.827 2.939 84 1HB TRP 9 2HB TRP 9 0.407 -2.673 4.062 85 2HB TRP 9 1HB TRP 9 2.060 -2.171 3.721 86 HD1 TRP 9 HD1 TRP 9 2.999 -0.072 5.088 87 HE1 TRP 9 1HE TRP 9 2.406 0.810 7.440 88 HE3 TRP 9 3HE TRP 9 -1.473 -2.368 5.733 89 HZ2 TRP 9 2HZ TRP 9 0.273 0.559 9.350 90 HZ3 TRP 9 3HZ TRP 9 -2.785 -2.044 7.817 91 HH2 TRP 9 HH2 TRP 9 -1.918 -0.580 9.623 92 HA PRO 10 HA PRO 10 1.500 3.108 3.092 93 1HB PRO 10 2HB PRO 10 -0.362 4.348 4.663 94 2HB PRO 10 1HB PRO 10 -0.661 3.923 2.968 95 1HG PRO 10 2HG PRO 10 -1.799 2.765 5.380 96 2HG PRO 10 1HG PRO 10 -2.318 2.590 3.699 97 1HD PRO 10 2HD PRO 10 -0.748 0.768 5.323 98 2HD PRO 10 1HD PRO 10 -1.464 0.494 3.722 99 H TRP 11 H TRP 11 3.373 3.227 4.355 100 HA TRP 11 HA TRP 11 3.125 2.904 7.295 101 1HB TRP 11 2HB TRP 11 5.574 2.462 7.070 102 2HB TRP 11 1HB TRP 11 4.593 1.367 6.117 103 HD1 TRP 11 HD1 TRP 11 6.581 4.619 5.704 104 HE1 TRP 11 1HE TRP 11 7.422 4.725 3.254 105 HE3 TRP 11 3HE TRP 11 4.316 0.499 3.903 106 HZ2 TRP 11 2HZ TRP 11 7.131 3.198 0.822 107 HZ3 TRP 11 3HZ TRP 11 4.582 -0.196 1.521 108 HH2 TRP 11 HH2 TRP 11 5.987 1.157 -0.018 109 H ARG 12 H ARG 12 5.310 4.266 8.142 110 HA ARG 12 HA ARG 12 4.527 7.023 8.011 111 1HB ARG 12 2HB ARG 12 6.231 7.226 9.643 112 2HB ARG 12 1HB ARG 12 5.610 5.601 9.864 113 1HG ARG 12 2HG ARG 12 7.524 5.082 8.043 114 2HG ARG 12 1HG ARG 12 8.247 6.493 8.815 115 1HD ARG 12 2HD ARG 12 7.136 4.677 10.803 116 2HD ARG 12 1HD ARG 12 8.347 3.871 9.787 117 HE ARG 12 HE ARG 12 8.853 6.457 11.214 118 1HH1 ARG 12 1HH2 ARG 12 10.547 5.296 8.849 119 2HH1 ARG 12 2HH2 ARG 12 11.886 4.652 9.740 120 1HH2 ARG 12 2HH1 ARG 12 10.277 4.833 12.805 121 2HH2 ARG 12 1HH1 ARG 12 11.732 4.391 11.979 122 H ARG 13 H ARG 13 4.953 6.435 5.364 123 HA ARG 13 HA ARG 13 7.605 6.765 4.359 124 1HB ARG 13 2HB ARG 13 5.512 5.986 3.168 125 2HB ARG 13 1HB ARG 13 4.988 7.669 3.124 126 1HG ARG 13 2HG ARG 13 7.725 7.424 2.197 127 2HG ARG 13 1HG ARG 13 6.651 6.385 1.261 128 1HD ARG 13 2HD ARG 13 5.092 8.508 1.202 129 2HD ARG 13 1HD ARG 13 6.600 9.378 1.549 130 HE ARG 13 HE ARG 13 7.235 8.916 -0.672 131 1HH1 ARG 13 1HH1 ARG 13 4.255 7.634 -0.584 132 2HH1 ARG 13 2HH1 ARG 13 4.574 6.238 -1.560 133 1HH2 ARG 13 1HH2 ARG 13 8.018 6.633 -1.462 134 2HH2 ARG 13 2HH2 ARG 13 6.706 5.672 -2.058 135 1HN NH2 14 1HT ARG 13 8.238 8.587 6.017 136 2HN NH2 14 2HT ARG 13 7.941 10.190 5.541
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