NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
641533 | 6pi3 | 30618 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 1HT LYS 1 12.790 -0.073 -4.204 2 H2 LYS 1 2HT LYS 1 13.297 1.262 -3.295 3 H3 LYS 1 3HT LYS 1 11.670 1.011 -3.646 4 HA LYS 1 HA LYS 1 13.210 -0.919 -2.047 5 HB2 LYS 1 2HB LYS 1 11.104 1.063 -1.112 6 HB3 LYS 1 1HB LYS 1 11.927 -0.112 -0.116 7 HG2 LYS 1 2HG LYS 1 13.178 2.295 -1.427 8 HG3 LYS 1 1HG LYS 1 12.739 2.158 0.266 9 HD2 LYS 1 2HD LYS 1 14.848 0.577 -1.203 10 HD3 LYS 1 1HD LYS 1 15.135 1.871 -0.055 11 HE2 LYS 1 2HE LYS 1 13.860 -0.795 0.580 12 HE3 LYS 1 1HE LYS 1 15.515 -0.342 0.942 13 HZ1 LYS 1 1HZ LYS 1 13.090 0.945 2.130 14 HZ2 LYS 1 2HZ LYS 1 14.680 1.377 2.433 15 HZ3 LYS 1 3HZ LYS 1 14.142 -0.141 2.878 16 H TRP 2 HN TRP 2 11.339 -2.134 -0.751 17 HA TRP 2 HA TRP 2 9.595 -3.108 -2.806 18 HB2 TRP 2 2HB TRP 2 10.790 -4.697 -1.358 19 HB3 TRP 2 1HB TRP 2 9.997 -4.010 0.053 20 HD1 TRP 2 1HD TRP 2 8.987 -5.816 -3.215 21 HE1 TRP 2 1HE TRP 2 6.922 -7.310 -2.679 22 HE3 TRP 2 3HE TRP 2 8.262 -4.512 1.649 23 HZ2 TRP 2 2HZ TRP 2 5.263 -7.854 -0.505 24 HZ3 TRP 2 3HZ TRP 2 6.411 -5.576 2.895 25 HH2 TRP 2 2HH TRP 2 4.956 -7.209 1.830 26 H CYS 3 HN CYS 3 7.582 -2.518 -3.025 27 HA CYS 3 HA CYS 3 6.174 -1.228 -0.804 28 HB2 CYS 3 2HB CYS 3 6.093 -0.380 -3.695 29 HB3 CYS 3 1HB CYS 3 5.231 0.379 -2.368 30 H PHE 4 HN PHE 4 4.152 -2.025 -0.580 31 HA PHE 4 HA PHE 4 3.224 -3.815 -2.692 32 HB2 PHE 4 2HB PHE 4 1.833 -4.883 -0.882 33 HB3 PHE 4 1HB PHE 4 3.572 -5.151 -0.756 34 HD1 PHE 4 1HD PHE 4 4.851 -3.915 0.989 35 HD2 PHE 4 2HD PHE 4 0.603 -3.815 0.821 36 HE1 PHE 4 1HE PHE 4 4.781 -3.142 3.316 37 HE2 PHE 4 2HE PHE 4 0.537 -3.036 3.152 38 HZ PHE 4 HZ PHE 4 2.626 -2.705 4.396 39 H ARG 5 HN ARG 5 0.861 -3.939 -2.914 40 HA ARG 5 HA ARG 5 -0.203 -1.225 -2.705 41 HB2 ARG 5 2HB ARG 5 -0.009 -2.228 -4.965 42 HB3 ARG 5 1HB ARG 5 -1.111 -3.500 -4.469 43 HG2 ARG 5 2HG ARG 5 -2.827 -1.741 -4.024 44 HG3 ARG 5 1HG ARG 5 -1.721 -0.565 -4.735 45 HD2 ARG 5 2HD ARG 5 -2.930 -2.972 -6.078 46 HD3 ARG 5 1HD ARG 5 -3.297 -1.285 -6.405 47 HE ARG 5 HE ARG 5 -0.545 -1.760 -6.776 48 HH11 ARG 5 1HH1 ARG 5 -3.657 -2.372 -8.330 49 HH12 ARG 5 2HH1 ARG 5 -2.991 -2.551 -9.887 50 HH21 ARG 5 1HH2 ARG 5 0.362 -2.033 -8.887 51 HH22 ARG 5 2HH2 ARG 5 -0.668 -2.328 -10.214 52 H VAL 6 HN VAL 6 -1.864 -0.854 -1.435 53 HA VAL 6 HA VAL 6 -3.374 -3.146 -0.388 54 HB VAL 6 HB VAL 6 -2.968 -0.439 0.929 55 HG11 VAL 6 1HG1 VAL 6 -3.988 -1.444 2.904 56 HG12 VAL 6 2HG1 VAL 6 -4.212 -2.953 2.032 57 HG13 VAL 6 3HG1 VAL 6 -5.088 -1.507 1.525 58 HG21 VAL 6 1HG2 VAL 6 -1.555 -1.603 2.563 59 HG22 VAL 6 2HG2 VAL 6 -0.880 -1.686 0.934 60 HG23 VAL 6 3HG2 VAL 6 -1.701 -3.086 1.620 61 H CYS 7 HN CYS 7 -5.466 -3.141 -1.026 62 HA CYS 7 HA CYS 7 -6.616 -0.597 -1.876 63 HB2 CYS 7 2HB CYS 7 -7.315 -3.438 -2.668 64 HB3 CYS 7 1HB CYS 7 -8.287 -2.035 -3.096 65 H TYR 8 HN TYR 8 -7.731 0.273 -0.393 66 HA TYR 8 HA TYR 8 -9.182 -1.427 1.522 67 HB2 TYR 8 2HB TYR 8 -6.970 -0.361 2.276 68 HB3 TYR 8 1HB TYR 8 -7.803 1.174 2.156 69 HD1 TYR 8 1HD TYR 8 -9.206 1.932 3.951 70 HD2 TYR 8 2HD TYR 8 -7.810 -2.071 3.864 71 HE1 TYR 8 1HE TYR 8 -9.985 1.604 6.261 72 HE2 TYR 8 2HE TYR 8 -8.581 -2.414 6.150 73 HH TYR 8 HH TYR 8 -9.060 -1.061 8.126 74 H ARG 9 HN ARG 9 -11.272 -1.073 0.952 75 HA ARG 9 HA ARG 9 -13.286 -0.048 0.798 76 HB2 ARG 9 2HB ARG 9 -11.819 2.382 1.854 77 HB3 ARG 9 1HB ARG 9 -13.564 2.226 1.747 78 HG2 ARG 9 2HG ARG 9 -13.545 0.444 3.373 79 HG3 ARG 9 1HG ARG 9 -11.781 0.456 3.411 80 HD2 ARG 9 2HD ARG 9 -12.642 1.647 5.334 81 HD3 ARG 9 1HD ARG 9 -11.844 2.772 4.241 82 HE ARG 9 HE ARG 9 -14.672 2.545 3.818 83 HH11 ARG 9 1HH1 ARG 9 -12.172 4.276 5.640 84 HH12 ARG 9 2HH1 ARG 9 -13.161 5.616 5.972 85 HH21 ARG 9 1HH2 ARG 9 -15.996 4.349 4.259 86 HH22 ARG 9 2HH2 ARG 9 -15.429 5.660 5.171 87 H GLY 10 HN GLY 10 -11.302 0.034 -1.406 88 HA2 GLY 10 2HA GLY 10 -11.835 0.654 -3.634 89 HA3 GLY 10 1HA GLY 10 -12.666 2.070 -3.009 90 H ILE 11 HN ILE 11 -10.099 2.154 -1.169 91 HA ILE 11 HA ILE 11 -8.669 3.905 -2.997 92 HB ILE 11 HB ILE 11 -8.316 3.539 -0.006 93 HG12 ILE 11 2HG1 ILE 11 -10.560 4.418 -0.531 94 HG13 ILE 11 1HG1 ILE 11 -9.571 5.619 0.282 95 HG21 ILE 11 1HG2 ILE 11 -7.061 5.633 -0.089 96 HG22 ILE 11 2HG2 ILE 11 -7.329 5.732 -1.828 97 HG23 ILE 11 3HG2 ILE 11 -6.336 4.437 -1.170 98 HD11 ILE 11 1HD1 ILE 11 -9.167 6.712 -1.887 99 HD12 ILE 11 2HD1 ILE 11 -10.883 6.625 -1.492 100 HD13 ILE 11 3HD1 ILE 11 -10.193 5.508 -2.669 101 H CYS 12 HN CYS 12 -7.187 2.844 -4.116 102 HA CYS 12 HA CYS 12 -5.598 0.772 -2.824 103 HB2 CYS 12 2HB CYS 12 -5.841 1.556 -5.742 104 HB3 CYS 12 1HB CYS 12 -4.768 0.305 -5.128 105 H TYR 13 HN TYR 13 -3.723 1.262 -2.098 106 HA TYR 13 HA TYR 13 -2.278 3.459 -3.310 107 HB2 TYR 13 2HB TYR 13 -1.591 4.247 -1.042 108 HB3 TYR 13 1HB TYR 13 -3.296 4.468 -1.408 109 HD1 TYR 13 1HD TYR 13 -0.881 2.576 0.638 110 HD2 TYR 13 2HD TYR 13 -4.991 3.304 -0.182 111 HE1 TYR 13 1HE TYR 13 -1.500 1.468 2.747 112 HE2 TYR 13 2HE TYR 13 -5.625 2.208 1.891 113 HH TYR 13 HH TYR 13 -4.699 0.566 3.465 114 H ARG 14 HN ARG 14 -0.083 3.362 -3.044 115 HA ARG 14 HA ARG 14 0.946 0.696 -2.552 116 HB2 ARG 14 2HB ARG 14 3.068 1.578 -3.463 117 HB3 ARG 14 1HB ARG 14 1.737 1.912 -4.564 118 HG2 ARG 14 2HG ARG 14 1.616 4.203 -3.706 119 HG3 ARG 14 1HG ARG 14 2.957 3.858 -2.625 120 HD2 ARG 14 2HD ARG 14 4.378 3.416 -4.593 121 HD3 ARG 14 1HD ARG 14 3.021 3.857 -5.640 122 HE ARG 14 HE ARG 14 3.441 5.851 -3.743 123 HH11 ARG 14 1HH1 ARG 14 4.861 4.657 -6.766 124 HH12 ARG 14 2HH1 ARG 14 5.681 6.105 -7.116 125 HH21 ARG 14 1HH2 ARG 14 4.569 7.830 -4.232 126 HH22 ARG 14 2HH2 ARG 14 5.513 7.957 -5.644 127 H LYS 15 HN LYS 15 2.089 0.183 -0.782 128 HA LYS 15 HA LYS 15 2.739 2.354 1.071 129 HB2 LYS 15 2HB LYS 15 0.836 0.874 1.803 130 HB3 LYS 15 1HB LYS 15 1.956 -0.479 1.795 131 HG2 LYS 15 2HG LYS 15 3.275 0.562 3.534 132 HG3 LYS 15 1HG LYS 15 2.230 1.984 3.507 133 HD2 LYS 15 2HD LYS 15 0.323 0.552 4.136 134 HD3 LYS 15 1HD LYS 15 1.418 -0.824 4.255 135 HE2 LYS 15 2HE LYS 15 2.691 0.352 5.991 136 HE3 LYS 15 1HE LYS 15 1.575 1.712 5.874 137 HZ1 LYS 15 1HZ LYS 15 -0.216 0.225 6.602 138 HZ2 LYS 15 2HZ LYS 15 1.040 0.278 7.727 139 HZ3 LYS 15 3HZ LYS 15 0.892 -1.044 6.714 140 H CYS 16 HN CYS 16 4.821 2.554 1.291 141 HA CYS 16 HA CYS 16 6.546 0.377 0.398 142 HB2 CYS 16 2HB CYS 16 7.073 3.317 0.748 143 HB3 CYS 16 1HB CYS 16 8.267 2.133 0.224 144 H ARG 17 HN ARG 17 8.245 -0.350 1.606 145 HA ARG 17 HA ARG 17 8.227 0.484 4.404 146 HB2 ARG 17 2HB ARG 17 9.190 -2.058 3.105 147 HB3 ARG 17 1HB ARG 17 9.507 -1.651 4.783 148 HG2 ARG 17 2HG ARG 17 7.115 -1.610 5.229 149 HG3 ARG 17 1HG ARG 17 6.794 -2.023 3.537 150 HD2 ARG 17 2HD ARG 17 7.958 -4.104 3.792 151 HD3 ARG 17 1HD ARG 17 8.430 -3.686 5.434 152 HE ARG 17 HE ARG 17 5.687 -3.576 5.376 153 HH11 ARG 17 1HH1 ARG 17 8.174 -6.005 4.772 154 HH12 ARG 17 2HH1 ARG 17 7.230 -7.316 5.333 155 HH21 ARG 17 1HH2 ARG 17 4.386 -5.380 6.159 156 HH22 ARG 17 2HH2 ARG 17 5.053 -6.945 6.164 157 HN1 NH2 18 1H ARG 17 9.453 2.276 4.134 158 HN2 NH2 18 2H ARG 17 11.130 2.231 3.732 Start of MODEL 2 1 H1 LYS 1 1HT LYS 1 12.703 1.449 -4.220 2 H2 LYS 1 2HT LYS 1 11.034 1.170 -4.332 3 H3 LYS 1 3HT LYS 1 12.105 0.033 -4.930 4 HA LYS 1 HA LYS 1 12.919 -0.421 -2.736 5 HB2 LYS 1 2HB LYS 1 10.795 1.594 -1.972 6 HB3 LYS 1 1HB LYS 1 11.519 0.480 -0.825 7 HG2 LYS 1 2HG LYS 1 13.724 1.470 -1.285 8 HG3 LYS 1 1HG LYS 1 12.968 2.599 -2.405 9 HD2 LYS 1 2HD LYS 1 13.379 3.645 -0.249 10 HD3 LYS 1 1HD LYS 1 11.644 3.535 -0.552 11 HE2 LYS 1 2HE LYS 1 11.533 1.577 0.919 12 HE3 LYS 1 1HE LYS 1 13.274 1.669 1.174 13 HZ1 LYS 1 1HZ LYS 1 11.362 3.816 1.903 14 HZ2 LYS 1 2HZ LYS 1 13.004 3.735 2.320 15 HZ3 LYS 1 3HZ LYS 1 11.915 2.633 2.964 16 H TRP 2 HN TRP 2 11.461 -1.680 -1.073 17 HA TRP 2 HA TRP 2 9.676 -3.212 -2.715 18 HB2 TRP 2 2HB TRP 2 11.231 -4.311 -1.080 19 HB3 TRP 2 1HB TRP 2 10.292 -3.580 0.223 20 HD1 TRP 2 1HD TRP 2 9.877 -6.120 -2.644 21 HE1 TRP 2 1HE TRP 2 8.005 -7.768 -2.015 22 HE3 TRP 2 3HE TRP 2 8.315 -3.943 1.699 23 HZ2 TRP 2 2HZ TRP 2 6.116 -8.099 0.059 24 HZ3 TRP 2 3HZ TRP 2 6.459 -4.995 2.949 25 HH2 TRP 2 2HH TRP 2 5.394 -7.028 2.133 26 H CYS 3 HN CYS 3 7.698 -2.631 -2.982 27 HA CYS 3 HA CYS 3 6.315 -1.265 -0.818 28 HB2 CYS 3 2HB CYS 3 6.184 -0.671 -3.775 29 HB3 CYS 3 1HB CYS 3 5.207 0.095 -2.530 30 H PHE 4 HN PHE 4 4.048 -1.571 -0.840 31 HA PHE 4 HA PHE 4 3.053 -3.686 -2.524 32 HB2 PHE 4 2HB PHE 4 1.874 -4.669 -0.556 33 HB3 PHE 4 1HB PHE 4 3.627 -4.885 -0.558 34 HD1 PHE 4 1HD PHE 4 5.010 -3.489 0.994 35 HD2 PHE 4 2HD PHE 4 0.768 -3.627 1.211 36 HE1 PHE 4 1HE PHE 4 5.105 -2.651 3.303 37 HE2 PHE 4 2HE PHE 4 0.861 -2.787 3.504 38 HZ PHE 4 HZ PHE 4 3.040 -2.301 4.559 39 H ARG 5 HN ARG 5 0.830 -3.622 -2.817 40 HA ARG 5 HA ARG 5 -0.202 -0.964 -2.257 41 HB2 ARG 5 2HB ARG 5 0.174 -1.526 -4.637 42 HB3 ARG 5 1HB ARG 5 -0.954 -2.857 -4.477 43 HG2 ARG 5 2HG ARG 5 -2.767 -1.342 -4.045 44 HG3 ARG 5 1HG ARG 5 -1.660 0.032 -4.042 45 HD2 ARG 5 2HD ARG 5 -2.176 -1.788 -6.389 46 HD3 ARG 5 1HD ARG 5 -2.883 -0.187 -6.162 47 HE ARG 5 HE ARG 5 -0.017 -0.243 -6.088 48 HH11 ARG 5 1HH1 ARG 5 -2.831 -0.018 -8.229 49 HH12 ARG 5 2HH1 ARG 5 -2.013 0.819 -9.457 50 HH21 ARG 5 1HH2 ARG 5 1.131 0.844 -7.814 51 HH22 ARG 5 2HH2 ARG 5 0.302 1.311 -9.216 52 H VAL 6 HN VAL 6 -1.946 -0.748 -1.109 53 HA VAL 6 HA VAL 6 -3.431 -3.161 -0.347 54 HB VAL 6 HB VAL 6 -3.080 -0.556 1.187 55 HG11 VAL 6 1HG1 VAL 6 -4.226 -1.676 3.059 56 HG12 VAL 6 2HG1 VAL 6 -4.496 -3.088 2.051 57 HG13 VAL 6 3HG1 VAL 6 -5.272 -1.562 1.647 58 HG21 VAL 6 1HG2 VAL 6 -1.811 -1.918 2.795 59 HG22 VAL 6 2HG2 VAL 6 -1.046 -1.847 1.205 60 HG23 VAL 6 3HG2 VAL 6 -1.926 -3.292 1.694 61 H CYS 7 HN CYS 7 -5.592 -3.117 -0.780 62 HA CYS 7 HA CYS 7 -6.689 -0.608 -1.781 63 HB2 CYS 7 2HB CYS 7 -7.581 -3.464 -2.273 64 HB3 CYS 7 1HB CYS 7 -8.433 -2.033 -2.844 65 H TYR 8 HN TYR 8 -7.808 0.392 -0.431 66 HA TYR 8 HA TYR 8 -9.207 -1.094 1.663 67 HB2 TYR 8 2HB TYR 8 -7.061 0.112 2.316 68 HB3 TYR 8 1HB TYR 8 -7.911 1.602 1.935 69 HD1 TYR 8 1HD TYR 8 -7.883 -1.335 4.143 70 HD2 TYR 8 2HD TYR 8 -9.410 2.575 3.501 71 HE1 TYR 8 1HE TYR 8 -8.712 -1.317 6.411 72 HE2 TYR 8 2HE TYR 8 -10.271 2.621 5.793 73 HH TYR 8 HH TYR 8 -9.350 0.315 8.121 74 H ARG 9 HN ARG 9 -11.223 -0.920 0.972 75 HA ARG 9 HA ARG 9 -13.279 -0.088 0.484 76 HB2 ARG 9 2HB ARG 9 -12.121 2.458 1.647 77 HB3 ARG 9 1HB ARG 9 -13.830 2.183 1.336 78 HG2 ARG 9 2HG ARG 9 -12.116 0.609 3.259 79 HG3 ARG 9 1HG ARG 9 -13.288 1.852 3.697 80 HD2 ARG 9 2HD ARG 9 -15.091 0.520 2.780 81 HD3 ARG 9 1HD ARG 9 -13.953 -0.698 2.219 82 HE ARG 9 HE ARG 9 -13.469 -0.627 4.835 83 HH11 ARG 9 1HH1 ARG 9 -16.469 -0.906 2.994 84 HH12 ARG 9 2HH1 ARG 9 -17.283 -1.854 4.136 85 HH21 ARG 9 1HH2 ARG 9 -14.562 -1.915 6.438 86 HH22 ARG 9 2HH2 ARG 9 -16.163 -2.434 6.182 87 H GLY 10 HN GLY 10 -11.326 -0.111 -1.540 88 HA2 GLY 10 2HA GLY 10 -11.779 0.331 -3.824 89 HA3 GLY 10 1HA GLY 10 -12.592 1.816 -3.352 90 H ILE 11 HN ILE 11 -10.137 2.138 -1.468 91 HA ILE 11 HA ILE 11 -8.644 3.678 -3.427 92 HB ILE 11 HB ILE 11 -8.306 3.568 -0.420 93 HG12 ILE 11 2HG1 ILE 11 -10.548 4.383 -0.967 94 HG13 ILE 11 1HG1 ILE 11 -9.551 5.694 -0.350 95 HG21 ILE 11 1HG2 ILE 11 -7.334 5.608 -2.418 96 HG22 ILE 11 2HG2 ILE 11 -6.343 4.364 -1.680 97 HG23 ILE 11 3HG2 ILE 11 -7.045 5.636 -0.675 98 HD11 ILE 11 1HD1 ILE 11 -9.218 6.493 -2.640 99 HD12 ILE 11 2HD1 ILE 11 -10.921 6.442 -2.197 100 HD13 ILE 11 3HD1 ILE 11 -10.245 5.190 -3.240 101 H CYS 12 HN CYS 12 -7.098 2.529 -4.434 102 HA CYS 12 HA CYS 12 -5.586 0.604 -2.851 103 HB2 CYS 12 2HB CYS 12 -5.606 1.023 -5.849 104 HB3 CYS 12 1HB CYS 12 -4.705 -0.204 -4.957 105 H TYR 13 HN TYR 13 -3.919 1.338 -1.925 106 HA TYR 13 HA TYR 13 -2.401 3.472 -3.225 107 HB2 TYR 13 2HB TYR 13 -1.979 4.450 -0.971 108 HB3 TYR 13 1HB TYR 13 -3.664 4.495 -1.472 109 HD1 TYR 13 1HD TYR 13 -1.266 2.759 0.727 110 HD2 TYR 13 2HD TYR 13 -5.357 3.467 -0.147 111 HE1 TYR 13 1HE TYR 13 -1.876 1.751 2.832 112 HE2 TYR 13 2HE TYR 13 -5.999 2.438 1.969 113 HH TYR 13 HH TYR 13 -5.121 0.922 3.637 114 H ARG 14 HN ARG 14 -0.184 3.625 -2.577 115 HA ARG 14 HA ARG 14 0.935 0.961 -2.248 116 HB2 ARG 14 2HB ARG 14 1.547 2.120 -4.273 117 HB3 ARG 14 1HB ARG 14 2.076 3.516 -3.358 118 HG2 ARG 14 2HG ARG 14 3.899 2.224 -2.400 119 HG3 ARG 14 1HG ARG 14 3.350 0.797 -3.281 120 HD2 ARG 14 2HD ARG 14 5.228 1.901 -4.412 121 HD3 ARG 14 1HD ARG 14 3.770 1.908 -5.398 122 HE ARG 14 HE ARG 14 3.883 4.285 -3.929 123 HH11 ARG 14 1HH1 ARG 14 5.616 2.691 -6.565 124 HH12 ARG 14 2HH1 ARG 14 6.036 4.121 -7.379 125 HH21 ARG 14 1HH2 ARG 14 4.500 6.300 -5.023 126 HH22 ARG 14 2HH2 ARG 14 5.412 6.228 -6.451 127 H LYS 15 HN LYS 15 1.859 0.407 -0.436 128 HA LYS 15 HA LYS 15 2.879 2.455 1.390 129 HB2 LYS 15 2HB LYS 15 2.044 -0.411 1.893 130 HB3 LYS 15 1HB LYS 15 2.783 0.632 3.097 131 HG2 LYS 15 2HG LYS 15 0.888 2.102 3.072 132 HG3 LYS 15 1HG LYS 15 0.177 1.224 1.719 133 HD2 LYS 15 2HD LYS 15 -0.898 0.575 3.848 134 HD3 LYS 15 1HD LYS 15 -0.028 -0.770 3.122 135 HE2 LYS 15 2HE LYS 15 1.800 -0.409 4.666 136 HE3 LYS 15 1HE LYS 15 0.958 0.982 5.356 137 HZ1 LYS 15 1HZ LYS 15 -0.798 -0.454 6.083 138 HZ2 LYS 15 2HZ LYS 15 0.656 -1.046 6.669 139 HZ3 LYS 15 3HZ LYS 15 -0.093 -1.800 5.359 140 H CYS 16 HN CYS 16 5.094 2.141 2.104 141 HA CYS 16 HA CYS 16 6.524 0.006 0.688 142 HB2 CYS 16 2HB CYS 16 7.388 2.892 0.856 143 HB3 CYS 16 1HB CYS 16 8.341 1.586 0.168 144 H ARG 17 HN ARG 17 8.320 -0.807 1.720 145 HA ARG 17 HA ARG 17 8.741 0.194 4.446 146 HB2 ARG 17 2HB ARG 17 9.419 -2.538 3.320 147 HB3 ARG 17 1HB ARG 17 9.877 -1.989 4.921 148 HG2 ARG 17 2HG ARG 17 7.398 -1.690 5.365 149 HG3 ARG 17 1HG ARG 17 7.134 -2.587 3.867 150 HD2 ARG 17 2HD ARG 17 7.066 -4.115 5.776 151 HD3 ARG 17 1HD ARG 17 8.467 -4.446 4.755 152 HE ARG 17 HE ARG 17 9.184 -2.625 6.765 153 HH11 ARG 17 1HH1 ARG 17 8.394 -6.071 6.509 154 HH12 ARG 17 2HH1 ARG 17 9.358 -6.550 7.812 155 HH21 ARG 17 1HH2 ARG 17 10.536 -3.257 8.513 156 HH22 ARG 17 2HH2 ARG 17 10.665 -4.889 8.981 157 HN1 NH2 18 1H ARG 17 10.871 -1.684 2.357 158 HN2 NH2 18 2H ARG 17 12.155 -0.538 2.369 Start of MODEL 3 1 H1 LYS 1 1HT LYS 1 12.465 0.064 -4.321 2 H2 LYS 1 2HT LYS 1 13.087 1.497 -3.726 3 H3 LYS 1 3HT LYS 1 11.495 1.423 -4.335 4 HA LYS 1 HA LYS 1 12.464 0.024 -1.944 5 HB2 LYS 1 2HB LYS 1 10.484 2.304 -2.232 6 HB3 LYS 1 1HB LYS 1 10.875 1.483 -0.735 7 HG2 LYS 1 2HG LYS 1 13.186 2.332 -0.909 8 HG3 LYS 1 1HG LYS 1 12.727 3.204 -2.375 9 HD2 LYS 1 2HD LYS 1 11.048 4.454 -1.094 10 HD3 LYS 1 1HD LYS 1 11.520 3.586 0.365 11 HE2 LYS 1 2HE LYS 1 12.579 5.754 0.367 12 HE3 LYS 1 1HE LYS 1 13.805 4.512 0.126 13 HZ1 LYS 1 1HZ LYS 1 12.633 6.233 -1.995 14 HZ2 LYS 1 2HZ LYS 1 13.786 5.035 -2.260 15 HZ3 LYS 1 3HZ LYS 1 14.166 6.375 -1.335 16 H TRP 2 HN TRP 2 11.239 -1.672 -1.441 17 HA TRP 2 HA TRP 2 9.157 -2.570 -3.145 18 HB2 TRP 2 2HB TRP 2 10.603 -4.151 -1.975 19 HB3 TRP 2 1HB TRP 2 10.009 -3.561 -0.425 20 HD1 TRP 2 1HD TRP 2 8.105 -4.824 0.545 21 HE1 TRP 2 1HE TRP 2 6.330 -6.541 -0.299 22 HE3 TRP 2 3HE TRP 2 9.191 -4.703 -4.405 23 HZ2 TRP 2 2HZ TRP 2 5.516 -7.638 -2.760 24 HZ3 TRP 2 3HZ TRP 2 7.871 -6.089 -5.958 25 HH2 TRP 2 2HH TRP 2 6.075 -7.523 -5.145 26 H CYS 3 HN CYS 3 7.069 -2.375 -3.046 27 HA CYS 3 HA CYS 3 5.835 -1.220 -0.662 28 HB2 CYS 3 2HB CYS 3 5.138 -0.334 -3.465 29 HB3 CYS 3 1HB CYS 3 4.653 0.349 -1.912 30 H PHE 4 HN PHE 4 3.992 -2.304 -0.187 31 HA PHE 4 HA PHE 4 2.968 -4.096 -2.233 32 HB2 PHE 4 2HB PHE 4 1.604 -5.059 -0.350 33 HB3 PHE 4 1HB PHE 4 3.334 -5.410 -0.281 34 HD1 PHE 4 1HD PHE 4 4.714 -4.125 1.401 35 HD2 PHE 4 2HD PHE 4 0.461 -3.985 1.394 36 HE1 PHE 4 1HE PHE 4 4.742 -3.305 3.709 37 HE2 PHE 4 2HE PHE 4 0.482 -3.165 3.706 38 HZ PHE 4 HZ PHE 4 2.620 -2.822 4.872 39 H ARG 5 HN ARG 5 0.848 -4.097 -2.810 40 HA ARG 5 HA ARG 5 -0.343 -1.487 -2.518 41 HB2 ARG 5 2HB ARG 5 -0.032 -2.225 -4.781 42 HB3 ARG 5 1HB ARG 5 -0.842 -3.745 -4.456 43 HG2 ARG 5 2HG ARG 5 -2.954 -2.536 -4.123 44 HG3 ARG 5 1HG ARG 5 -2.128 -1.020 -4.497 45 HD2 ARG 5 2HD ARG 5 -1.560 -1.863 -6.711 46 HD3 ARG 5 1HD ARG 5 -2.326 -3.397 -6.334 47 HE ARG 5 HE ARG 5 -4.429 -2.235 -6.210 48 HH11 ARG 5 1HH1 ARG 5 -1.797 -0.458 -7.829 49 HH12 ARG 5 2HH1 ARG 5 -2.838 0.380 -8.882 50 HH21 ARG 5 1HH2 ARG 5 -5.837 -1.014 -7.694 51 HH22 ARG 5 2HH2 ARG 5 -5.122 0.057 -8.812 52 H VAL 6 HN VAL 6 -1.992 -1.161 -1.245 53 HA VAL 6 HA VAL 6 -3.669 -3.448 -0.475 54 HB VAL 6 HB VAL 6 -3.196 -0.892 1.111 55 HG11 VAL 6 1HG1 VAL 6 -5.390 -1.853 1.538 56 HG12 VAL 6 2HG1 VAL 6 -4.362 -2.042 2.951 57 HG13 VAL 6 3HG1 VAL 6 -4.659 -3.416 1.888 58 HG21 VAL 6 1HG2 VAL 6 -1.166 -2.228 1.118 59 HG22 VAL 6 2HG2 VAL 6 -2.080 -3.652 1.614 60 HG23 VAL 6 3HG2 VAL 6 -1.930 -2.276 2.708 61 H CYS 7 HN CYS 7 -5.793 -3.193 -1.023 62 HA CYS 7 HA CYS 7 -6.581 -0.518 -1.893 63 HB2 CYS 7 2HB CYS 7 -7.658 -3.217 -2.750 64 HB3 CYS 7 1HB CYS 7 -8.388 -1.673 -3.191 65 H TYR 8 HN TYR 8 -7.591 0.460 -0.419 66 HA TYR 8 HA TYR 8 -9.238 -1.099 1.439 67 HB2 TYR 8 2HB TYR 8 -7.052 -0.070 2.271 68 HB3 TYR 8 1HB TYR 8 -7.812 1.489 2.015 69 HD1 TYR 8 1HD TYR 8 -9.463 2.329 3.540 70 HD2 TYR 8 2HD TYR 8 -7.915 -1.596 3.997 71 HE1 TYR 8 1HE TYR 8 -10.471 2.199 5.770 72 HE2 TYR 8 2HE TYR 8 -8.903 -1.756 6.203 73 HH TYR 8 HH TYR 8 -9.689 -0.195 8.011 74 H ARG 9 HN ARG 9 -11.251 -0.734 0.909 75 HA ARG 9 HA ARG 9 -13.247 0.244 0.492 76 HB2 ARG 9 2HB ARG 9 -11.847 2.800 1.304 77 HB3 ARG 9 1HB ARG 9 -13.580 2.617 1.109 78 HG2 ARG 9 2HG ARG 9 -13.614 0.998 2.948 79 HG3 ARG 9 1HG ARG 9 -11.870 1.184 3.132 80 HD2 ARG 9 2HD ARG 9 -13.068 2.549 4.762 81 HD3 ARG 9 1HD ARG 9 -12.167 3.553 3.626 82 HE ARG 9 HE ARG 9 -14.942 3.017 3.015 83 HH11 ARG 9 1HH1 ARG 9 -12.547 5.375 4.199 84 HH12 ARG 9 2HH1 ARG 9 -13.624 6.696 4.073 85 HH21 ARG 9 1HH2 ARG 9 -16.369 4.879 2.878 86 HH22 ARG 9 2HH2 ARG 9 -15.794 6.417 3.354 87 H GLY 10 HN GLY 10 -11.124 0.060 -1.546 88 HA2 GLY 10 2HA GLY 10 -11.448 0.393 -3.869 89 HA3 GLY 10 1HA GLY 10 -12.348 1.862 -3.503 90 H ILE 11 HN ILE 11 -10.020 2.321 -1.465 91 HA ILE 11 HA ILE 11 -8.470 3.901 -3.327 92 HB ILE 11 HB ILE 11 -8.298 3.709 -0.304 93 HG12 ILE 11 2HG1 ILE 11 -10.460 4.606 -1.008 94 HG13 ILE 11 1HG1 ILE 11 -9.480 5.868 -0.274 95 HG21 ILE 11 1HG2 ILE 11 -7.009 5.808 -0.437 96 HG22 ILE 11 2HG2 ILE 11 -7.058 5.714 -2.197 97 HG23 ILE 11 3HG2 ILE 11 -6.203 4.479 -1.271 98 HD11 ILE 11 1HD1 ILE 11 -10.644 6.718 -2.203 99 HD12 ILE 11 2HD1 ILE 11 -9.967 5.447 -3.214 100 HD13 ILE 11 3HD1 ILE 11 -8.910 6.682 -2.529 101 H CYS 12 HN CYS 12 -6.889 2.891 -4.282 102 HA CYS 12 HA CYS 12 -5.472 0.792 -2.835 103 HB2 CYS 12 2HB CYS 12 -5.393 1.527 -5.764 104 HB3 CYS 12 1HB CYS 12 -4.531 0.186 -5.024 105 H TYR 13 HN TYR 13 -3.609 1.136 -2.015 106 HA TYR 13 HA TYR 13 -1.929 3.275 -3.035 107 HB2 TYR 13 2HB TYR 13 -1.475 4.040 -0.719 108 HB3 TYR 13 1HB TYR 13 -3.157 4.252 -1.184 109 HD1 TYR 13 1HD TYR 13 -0.881 2.623 1.112 110 HD2 TYR 13 2HD TYR 13 -4.905 2.750 -0.243 111 HE1 TYR 13 1HE TYR 13 -1.584 1.428 3.105 112 HE2 TYR 13 2HE TYR 13 -5.628 1.554 1.752 113 HH TYR 13 HH TYR 13 -4.612 -0.004 3.441 114 H ARG 14 HN ARG 14 0.268 3.080 -2.023 115 HA ARG 14 HA ARG 14 0.928 0.240 -1.705 116 HB2 ARG 14 2HB ARG 14 2.515 2.413 -3.079 117 HB3 ARG 14 1HB ARG 14 3.047 0.767 -2.813 118 HG2 ARG 14 2HG ARG 14 1.382 -0.095 -4.277 119 HG3 ARG 14 1HG ARG 14 0.650 1.504 -4.447 120 HD2 ARG 14 2HD ARG 14 3.467 0.808 -5.256 121 HD3 ARG 14 1HD ARG 14 2.092 0.877 -6.357 122 HE ARG 14 HE ARG 14 2.284 3.294 -4.944 123 HH11 ARG 14 1HH1 ARG 14 3.989 1.537 -7.495 124 HH12 ARG 14 2HH1 ARG 14 4.545 2.931 -8.284 125 HH21 ARG 14 1HH2 ARG 14 3.010 5.219 -6.048 126 HH22 ARG 14 2HH2 ARG 14 3.969 5.094 -7.435 127 H LYS 15 HN LYS 15 1.707 -0.136 0.265 128 HA LYS 15 HA LYS 15 2.889 2.053 1.752 129 HB2 LYS 15 2HB LYS 15 2.316 -0.801 2.546 130 HB3 LYS 15 1HB LYS 15 3.163 0.327 3.586 131 HG2 LYS 15 2HG LYS 15 1.137 1.804 3.483 132 HG3 LYS 15 1HG LYS 15 0.318 0.488 2.633 133 HD2 LYS 15 2HD LYS 15 0.671 -0.997 4.504 134 HD3 LYS 15 1HD LYS 15 1.605 0.232 5.347 135 HE2 LYS 15 2HE LYS 15 -0.453 1.667 5.378 136 HE3 LYS 15 1HE LYS 15 -1.331 0.308 4.672 137 HZ1 LYS 15 1HZ LYS 15 -1.594 0.361 7.067 138 HZ2 LYS 15 2HZ LYS 15 0.094 0.225 7.260 139 HZ3 LYS 15 3HZ LYS 15 -0.761 -1.017 6.563 140 H CYS 16 HN CYS 16 4.919 2.500 1.568 141 HA CYS 16 HA CYS 16 6.660 0.503 0.357 142 HB2 CYS 16 2HB CYS 16 6.945 3.487 0.582 143 HB3 CYS 16 1HB CYS 16 8.104 2.415 -0.193 144 H ARG 17 HN ARG 17 8.327 -0.348 1.353 145 HA ARG 17 HA ARG 17 9.374 0.930 3.763 146 HB2 ARG 17 2HB ARG 17 8.742 -2.008 3.418 147 HB3 ARG 17 1HB ARG 17 9.716 -1.362 4.724 148 HG2 ARG 17 2HG ARG 17 7.775 -0.063 5.505 149 HG3 ARG 17 1HG ARG 17 6.805 -0.769 4.209 150 HD2 ARG 17 2HD ARG 17 6.503 -1.924 6.371 151 HD3 ARG 17 1HD ARG 17 7.139 -2.991 5.118 152 HE ARG 17 HE ARG 17 9.116 -1.709 6.755 153 HH11 ARG 17 1HH1 ARG 17 7.030 -4.555 6.527 154 HH12 ARG 17 2HH1 ARG 17 8.080 -5.589 7.383 155 HH21 ARG 17 1HH2 ARG 17 10.553 -3.081 7.939 156 HH22 ARG 17 2HH2 ARG 17 10.160 -4.698 8.238 157 HN1 NH2 18 1H ARG 17 11.043 1.691 2.492 158 HN2 NH2 18 2H ARG 17 12.262 0.671 1.814 Start of MODEL 4 1 H1 LYS 1 1HT LYS 1 12.007 0.761 -3.519 2 H2 LYS 1 2HT LYS 1 12.912 -0.617 -3.724 3 H3 LYS 1 3HT LYS 1 13.621 0.700 -2.998 4 HA LYS 1 HA LYS 1 13.065 -1.010 -1.421 5 HB2 LYS 1 2HB LYS 1 11.164 1.355 -1.255 6 HB3 LYS 1 1HB LYS 1 11.323 0.177 0.028 7 HG2 LYS 1 2HG LYS 1 12.617 2.017 0.702 8 HG3 LYS 1 1HG LYS 1 13.783 0.831 0.131 9 HD2 LYS 1 2HD LYS 1 13.944 2.036 -1.998 10 HD3 LYS 1 1HD LYS 1 12.775 3.225 -1.417 11 HE2 LYS 1 2HE LYS 1 14.346 3.757 0.436 12 HE3 LYS 1 1HE LYS 1 15.502 2.639 -0.279 13 HZ1 LYS 1 1HZ LYS 1 14.446 5.095 -1.578 14 HZ2 LYS 1 2HZ LYS 1 15.575 4.035 -2.258 15 HZ3 LYS 1 3HZ LYS 1 15.966 4.915 -0.891 16 H TRP 2 HN TRP 2 11.145 -2.093 -0.288 17 HA TRP 2 HA TRP 2 9.581 -3.325 -2.360 18 HB2 TRP 2 2HB TRP 2 9.734 -3.852 0.607 19 HB3 TRP 2 1HB TRP 2 8.669 -4.736 -0.475 20 HD1 TRP 2 1HD TRP 2 10.168 -5.886 -2.660 21 HE1 TRP 2 1HE TRP 2 12.316 -7.302 -2.427 22 HE3 TRP 2 3HE TRP 2 11.666 -4.332 1.973 23 HZ2 TRP 2 2HZ TRP 2 14.365 -7.692 -0.527 24 HZ3 TRP 2 3HZ TRP 2 13.722 -5.274 2.924 25 HH2 TRP 2 2HH TRP 2 15.040 -6.922 1.698 26 H CYS 3 HN CYS 3 7.756 -2.581 -3.006 27 HA CYS 3 HA CYS 3 6.108 -1.024 -1.144 28 HB2 CYS 3 2HB CYS 3 6.267 -0.781 -4.158 29 HB3 CYS 3 1HB CYS 3 5.219 0.163 -3.104 30 H PHE 4 HN PHE 4 4.030 -1.588 -0.907 31 HA PHE 4 HA PHE 4 3.013 -3.678 -2.640 32 HB2 PHE 4 2HB PHE 4 1.801 -4.571 -0.638 33 HB3 PHE 4 1HB PHE 4 3.541 -4.900 -0.705 34 HD1 PHE 4 1HD PHE 4 5.050 -3.668 0.850 35 HD2 PHE 4 2HD PHE 4 0.817 -3.366 1.136 36 HE1 PHE 4 1HE PHE 4 5.276 -2.796 3.132 37 HE2 PHE 4 2HE PHE 4 1.031 -2.483 3.424 38 HZ PHE 4 HZ PHE 4 3.263 -2.195 4.428 39 H ARG 5 HN ARG 5 0.887 -3.637 -3.092 40 HA ARG 5 HA ARG 5 -0.268 -1.019 -2.737 41 HB2 ARG 5 2HB ARG 5 -0.199 -1.706 -5.017 42 HB3 ARG 5 1HB ARG 5 -0.897 -3.271 -4.640 43 HG2 ARG 5 2HG ARG 5 -3.040 -2.198 -4.140 44 HG3 ARG 5 1HG ARG 5 -2.332 -0.620 -4.482 45 HD2 ARG 5 2HD ARG 5 -2.028 -1.146 -6.772 46 HD3 ARG 5 1HD ARG 5 -2.368 -2.853 -6.507 47 HE ARG 5 HE ARG 5 -4.666 -1.830 -5.769 48 HH11 ARG 5 1HH1 ARG 5 -2.716 -0.936 -8.578 49 HH12 ARG 5 2HH1 ARG 5 -4.042 -0.522 -9.558 50 HH21 ARG 5 1HH2 ARG 5 -6.502 -1.318 -7.136 51 HH22 ARG 5 2HH2 ARG 5 -6.263 -0.754 -8.715 52 H VAL 6 HN VAL 6 -1.940 -0.632 -1.487 53 HA VAL 6 HA VAL 6 -3.417 -2.932 -0.447 54 HB VAL 6 HB VAL 6 -2.851 -0.327 1.013 55 HG11 VAL 6 1HG1 VAL 6 -4.217 -2.842 1.969 56 HG12 VAL 6 2HG1 VAL 6 -4.997 -1.301 1.624 57 HG13 VAL 6 3HG1 VAL 6 -3.856 -1.430 2.962 58 HG21 VAL 6 1HG2 VAL 6 -0.824 -1.676 0.885 59 HG22 VAL 6 2HG2 VAL 6 -1.697 -3.073 1.511 60 HG23 VAL 6 3HG2 VAL 6 -1.450 -1.658 2.534 61 H CYS 7 HN CYS 7 -5.483 -2.838 -0.935 62 HA CYS 7 HA CYS 7 -6.575 -0.255 -1.728 63 HB2 CYS 7 2HB CYS 7 -7.441 -3.055 -2.490 64 HB3 CYS 7 1HB CYS 7 -8.320 -1.586 -2.906 65 H TYR 8 HN TYR 8 -7.557 0.608 -0.159 66 HA TYR 8 HA TYR 8 -8.885 -1.109 1.814 67 HB2 TYR 8 2HB TYR 8 -6.917 0.455 2.429 68 HB3 TYR 8 1HB TYR 8 -8.063 1.757 2.159 69 HD1 TYR 8 1HD TYR 8 -9.972 2.108 3.665 70 HD2 TYR 8 2HD TYR 8 -7.127 -0.981 4.370 71 HE1 TYR 8 1HE TYR 8 -10.801 1.861 5.960 72 HE2 TYR 8 2HE TYR 8 -7.943 -1.231 6.646 73 HH TYR 8 HH TYR 8 -9.139 0.159 8.334 74 H ARG 9 HN ARG 9 -10.988 -1.172 1.311 75 HA ARG 9 HA ARG 9 -13.107 -0.538 0.834 76 HB2 ARG 9 2HB ARG 9 -11.987 2.133 1.634 77 HB3 ARG 9 1HB ARG 9 -13.652 1.958 1.103 78 HG2 ARG 9 2HG ARG 9 -12.458 0.408 3.379 79 HG3 ARG 9 1HG ARG 9 -13.319 1.937 3.570 80 HD2 ARG 9 2HD ARG 9 -14.431 -0.613 2.401 81 HD3 ARG 9 1HD ARG 9 -14.847 0.104 3.958 82 HE ARG 9 HE ARG 9 -15.391 2.099 2.276 83 HH11 ARG 9 1HH1 ARG 9 -16.365 -1.289 2.258 84 HH12 ARG 9 2HH1 ARG 9 -17.833 -1.028 1.449 85 HH21 ARG 9 1HH2 ARG 9 -17.422 2.485 1.093 86 HH22 ARG 9 2HH2 ARG 9 -18.432 1.153 0.774 87 H GLY 10 HN GLY 10 -10.934 -0.506 -1.207 88 HA2 GLY 10 2HA GLY 10 -11.217 -0.384 -3.550 89 HA3 GLY 10 1HA GLY 10 -12.471 0.827 -3.309 90 H ILE 11 HN ILE 11 -10.288 1.912 -1.272 91 HA ILE 11 HA ILE 11 -9.147 3.737 -3.195 92 HB ILE 11 HB ILE 11 -8.820 3.635 -0.174 93 HG12 ILE 11 2HG1 ILE 11 -11.166 4.019 -0.743 94 HG13 ILE 11 1HG1 ILE 11 -10.458 5.488 -0.085 95 HG21 ILE 11 1HG2 ILE 11 -8.043 5.958 -0.353 96 HG22 ILE 11 2HG2 ILE 11 -8.164 5.858 -2.107 97 HG23 ILE 11 3HG2 ILE 11 -7.003 4.848 -1.248 98 HD11 ILE 11 1HD1 ILE 11 -10.988 4.915 -2.997 99 HD12 ILE 11 2HD1 ILE 11 -10.258 6.387 -2.359 100 HD13 ILE 11 3HD1 ILE 11 -11.924 5.980 -1.949 101 H CYS 12 HN CYS 12 -7.389 3.041 -4.188 102 HA CYS 12 HA CYS 12 -5.686 1.113 -2.809 103 HB2 CYS 12 2HB CYS 12 -5.833 1.765 -5.745 104 HB3 CYS 12 1HB CYS 12 -4.812 0.539 -5.011 105 H TYR 13 HN TYR 13 -3.766 1.537 -2.210 106 HA TYR 13 HA TYR 13 -2.267 3.706 -3.407 107 HB2 TYR 13 2HB TYR 13 -1.592 4.479 -1.108 108 HB3 TYR 13 1HB TYR 13 -3.282 4.758 -1.518 109 HD1 TYR 13 1HD TYR 13 -1.061 2.463 0.381 110 HD2 TYR 13 2HD TYR 13 -4.995 3.985 -0.127 111 HE1 TYR 13 1HE TYR 13 -1.747 1.338 2.418 112 HE2 TYR 13 2HE TYR 13 -5.701 2.873 1.932 113 HH TYR 13 HH TYR 13 -4.950 0.904 3.298 114 H ARG 14 HN ARG 14 0.039 3.575 -2.585 115 HA ARG 14 HA ARG 14 0.669 0.769 -2.077 116 HB2 ARG 14 2HB ARG 14 2.795 1.044 -3.270 117 HB3 ARG 14 1HB ARG 14 1.435 1.371 -4.326 118 HG2 ARG 14 2HG ARG 14 1.845 3.755 -4.167 119 HG3 ARG 14 1HG ARG 14 3.128 3.480 -2.990 120 HD2 ARG 14 2HD ARG 14 4.075 3.886 -5.201 121 HD3 ARG 14 1HD ARG 14 4.407 2.239 -4.682 122 HE ARG 14 HE ARG 14 2.050 2.259 -6.190 123 HH11 ARG 14 1HH1 ARG 14 5.541 2.686 -6.690 124 HH12 ARG 14 2HH1 ARG 14 5.517 2.152 -8.294 125 HH21 ARG 14 1HH2 ARG 14 2.030 1.532 -8.414 126 HH22 ARG 14 2HH2 ARG 14 3.472 1.489 -9.313 127 H LYS 15 HN LYS 15 1.880 0.299 -0.431 128 HA LYS 15 HA LYS 15 2.947 2.510 1.121 129 HB2 LYS 15 2HB LYS 15 2.054 -0.239 1.911 130 HB3 LYS 15 1HB LYS 15 3.127 0.700 2.940 131 HG2 LYS 15 2HG LYS 15 1.452 2.512 2.941 132 HG3 LYS 15 1HG LYS 15 0.369 1.452 2.038 133 HD2 LYS 15 2HD LYS 15 0.259 -0.080 3.841 134 HD3 LYS 15 1HD LYS 15 1.578 0.729 4.691 135 HE2 LYS 15 2HE LYS 15 -1.059 1.985 4.030 136 HE3 LYS 15 1HE LYS 15 -0.676 1.280 5.615 137 HZ1 LYS 15 1HZ LYS 15 1.115 2.994 5.759 138 HZ2 LYS 15 2HZ LYS 15 -0.425 3.654 5.614 139 HZ3 LYS 15 3HZ LYS 15 0.565 3.640 4.288 140 H CYS 16 HN CYS 16 5.112 2.674 1.154 141 HA CYS 16 HA CYS 16 6.617 0.385 0.150 142 HB2 CYS 16 2HB CYS 16 7.323 3.314 0.110 143 HB3 CYS 16 1HB CYS 16 8.374 2.017 -0.443 144 H ARG 17 HN ARG 17 7.849 -0.646 1.452 145 HA ARG 17 HA ARG 17 8.906 0.716 3.813 146 HB2 ARG 17 2HB ARG 17 7.689 -2.048 3.677 147 HB3 ARG 17 1HB ARG 17 8.756 -1.557 4.983 148 HG2 ARG 17 2HG ARG 17 7.179 0.217 5.596 149 HG3 ARG 17 1HG ARG 17 6.114 -0.282 4.280 150 HD2 ARG 17 2HD ARG 17 5.741 -2.414 5.301 151 HD3 ARG 17 1HD ARG 17 6.980 -2.107 6.516 152 HE ARG 17 HE ARG 17 5.211 -0.090 6.874 153 HH11 ARG 17 1HH1 ARG 17 4.774 -3.603 6.723 154 HH12 ARG 17 2HH1 ARG 17 3.594 -3.653 7.940 155 HH21 ARG 17 1HH2 ARG 17 3.606 -0.173 8.582 156 HH22 ARG 17 2HH2 ARG 17 2.914 -1.660 9.024 157 HN1 NH2 18 1H ARG 17 9.393 -2.604 2.775 158 HN2 NH2 18 2H ARG 17 11.057 -2.388 2.349 Start of MODEL 5 1 H1 LYS 1 1HT LYS 1 12.219 0.452 -4.286 2 H2 LYS 1 2HT LYS 1 13.067 -0.989 -4.431 3 H3 LYS 1 3HT LYS 1 13.780 0.323 -3.644 4 HA LYS 1 HA LYS 1 13.007 -1.316 -2.087 5 HB2 LYS 1 2HB LYS 1 11.308 1.185 -2.131 6 HB3 LYS 1 1HB LYS 1 11.412 0.093 -0.768 7 HG2 LYS 1 2HG LYS 1 13.822 0.574 -0.605 8 HG3 LYS 1 1HG LYS 1 13.652 1.726 -1.930 9 HD2 LYS 1 2HD LYS 1 12.040 3.008 -0.593 10 HD3 LYS 1 1HD LYS 1 12.237 1.855 0.724 11 HE2 LYS 1 2HE LYS 1 14.593 2.418 0.886 12 HE3 LYS 1 1HE LYS 1 14.421 3.540 -0.462 13 HZ1 LYS 1 1HZ LYS 1 12.990 3.766 2.113 14 HZ2 LYS 1 2HZ LYS 1 12.961 4.899 0.855 15 HZ3 LYS 1 3HZ LYS 1 14.385 4.612 1.713 16 H TRP 2 HN TRP 2 11.217 -2.444 -1.152 17 HA TRP 2 HA TRP 2 9.332 -3.313 -3.153 18 HB2 TRP 2 2HB TRP 2 9.717 -4.191 -0.286 19 HB3 TRP 2 1HB TRP 2 8.577 -4.901 -1.413 20 HD1 TRP 2 1HD TRP 2 9.780 -6.072 -3.652 21 HE1 TRP 2 1HE TRP 2 11.923 -7.514 -3.691 22 HE3 TRP 2 3HE TRP 2 11.860 -4.562 0.748 23 HZ2 TRP 2 2HZ TRP 2 14.164 -7.951 -2.063 24 HZ3 TRP 2 3HZ TRP 2 13.999 -5.541 1.441 25 HH2 TRP 2 2HH TRP 2 15.126 -7.203 0.058 26 H CYS 3 HN CYS 3 7.560 -2.180 -3.438 27 HA CYS 3 HA CYS 3 6.266 -1.064 -1.061 28 HB2 CYS 3 2HB CYS 3 6.123 -0.060 -3.918 29 HB3 CYS 3 1HB CYS 3 5.329 0.665 -2.524 30 H PHE 4 HN PHE 4 4.271 -1.787 -0.667 31 HA PHE 4 HA PHE 4 3.177 -3.694 -2.586 32 HB2 PHE 4 2HB PHE 4 1.855 -4.540 -0.602 33 HB3 PHE 4 1HB PHE 4 3.583 -4.864 -0.567 34 HD1 PHE 4 1HD PHE 4 5.018 -3.637 1.049 35 HD2 PHE 4 2HD PHE 4 0.785 -3.147 1.037 36 HE1 PHE 4 1HE PHE 4 5.130 -2.663 3.287 37 HE2 PHE 4 2HE PHE 4 0.902 -2.171 3.279 38 HZ PHE 4 HZ PHE 4 3.077 -1.921 4.410 39 H ARG 5 HN ARG 5 0.883 -3.818 -2.835 40 HA ARG 5 HA ARG 5 -0.266 -1.140 -2.806 41 HB2 ARG 5 2HB ARG 5 -0.187 -2.510 -4.928 42 HB3 ARG 5 1HB ARG 5 -1.328 -3.615 -4.177 43 HG2 ARG 5 2HG ARG 5 -2.948 -1.761 -3.974 44 HG3 ARG 5 1HG ARG 5 -1.808 -0.705 -4.808 45 HD2 ARG 5 2HD ARG 5 -1.851 -2.351 -6.716 46 HD3 ARG 5 1HD ARG 5 -3.174 -3.159 -5.881 47 HE ARG 5 HE ARG 5 -3.436 -0.319 -6.468 48 HH11 ARG 5 1HH1 ARG 5 -4.507 -3.632 -7.176 49 HH12 ARG 5 2HH1 ARG 5 -5.812 -3.142 -8.149 50 HH21 ARG 5 1HH2 ARG 5 -5.251 0.337 -7.789 51 HH22 ARG 5 2HH2 ARG 5 -6.238 -0.855 -8.493 52 H VAL 6 HN VAL 6 -1.776 -0.636 -1.377 53 HA VAL 6 HA VAL 6 -3.130 -2.798 0.058 54 HB VAL 6 HB VAL 6 -2.865 0.116 0.861 55 HG11 VAL 6 1HG1 VAL 6 -4.859 -0.932 1.785 56 HG12 VAL 6 2HG1 VAL 6 -3.689 -0.623 3.063 57 HG13 VAL 6 3HG1 VAL 6 -3.892 -2.253 2.433 58 HG21 VAL 6 1HG2 VAL 6 -0.683 -0.941 0.949 59 HG22 VAL 6 2HG2 VAL 6 -1.341 -2.273 1.897 60 HG23 VAL 6 3HG2 VAL 6 -1.282 -0.649 2.581 61 H CYS 7 HN CYS 7 -5.148 -3.076 -0.618 62 HA CYS 7 HA CYS 7 -6.548 -0.751 -1.684 63 HB2 CYS 7 2HB CYS 7 -6.872 -3.683 -2.301 64 HB3 CYS 7 1HB CYS 7 -8.114 -2.499 -2.702 65 H TYR 8 HN TYR 8 -7.932 0.095 -0.425 66 HA TYR 8 HA TYR 8 -9.357 -1.592 1.494 67 HB2 TYR 8 2HB TYR 8 -7.223 -0.451 2.382 68 HB3 TYR 8 1HB TYR 8 -8.113 1.048 2.206 69 HD1 TYR 8 1HD TYR 8 -7.172 -1.411 4.407 70 HD2 TYR 8 2HD TYR 8 -10.590 0.922 3.407 71 HE1 TYR 8 1HE TYR 8 -8.053 -1.775 6.627 72 HE2 TYR 8 2HE TYR 8 -11.487 0.571 5.648 73 HH TYR 8 HH TYR 8 -11.202 -1.194 7.476 74 H ARG 9 HN ARG 9 -11.384 -1.234 0.925 75 HA ARG 9 HA ARG 9 -13.344 -0.368 0.384 76 HB2 ARG 9 2HB ARG 9 -14.130 1.643 1.487 77 HB3 ARG 9 1HB ARG 9 -13.086 0.763 2.572 78 HG2 ARG 9 2HG ARG 9 -11.294 2.359 2.160 79 HG3 ARG 9 1HG ARG 9 -12.312 3.215 1.009 80 HD2 ARG 9 2HD ARG 9 -13.898 3.752 2.741 81 HD3 ARG 9 1HD ARG 9 -12.981 2.801 3.909 82 HE ARG 9 HE ARG 9 -11.150 4.528 3.179 83 HH11 ARG 9 1HH1 ARG 9 -14.581 5.143 3.887 84 HH12 ARG 9 2HH1 ARG 9 -14.325 6.658 4.596 85 HH21 ARG 9 1HH2 ARG 9 -10.798 6.647 4.176 86 HH22 ARG 9 2HH2 ARG 9 -12.134 7.534 4.750 87 H GLY 10 HN GLY 10 -11.326 -0.116 -1.599 88 HA2 GLY 10 2HA GLY 10 -11.741 0.521 -3.846 89 HA3 GLY 10 1HA GLY 10 -12.690 1.881 -3.256 90 H ILE 11 HN ILE 11 -10.256 2.058 -1.283 91 HA ILE 11 HA ILE 11 -8.800 3.915 -2.980 92 HB ILE 11 HB ILE 11 -8.664 3.487 0.022 93 HG12 ILE 11 2HG1 ILE 11 -10.886 4.268 -0.624 94 HG13 ILE 11 1HG1 ILE 11 -10.018 5.529 0.236 95 HG21 ILE 11 1HG2 ILE 11 -6.637 4.491 -0.885 96 HG22 ILE 11 2HG2 ILE 11 -7.533 5.663 0.083 97 HG23 ILE 11 3HG2 ILE 11 -7.599 5.738 -1.678 98 HD11 ILE 11 1HD1 ILE 11 -11.267 6.440 -1.635 99 HD12 ILE 11 2HD1 ILE 11 -10.443 5.352 -2.747 100 HD13 ILE 11 3HD1 ILE 11 -9.536 6.623 -1.922 101 H CYS 12 HN CYS 12 -7.252 2.852 -4.049 102 HA CYS 12 HA CYS 12 -5.656 0.908 -2.568 103 HB2 CYS 12 2HB CYS 12 -5.931 1.342 -5.540 104 HB3 CYS 12 1HB CYS 12 -4.843 0.179 -4.794 105 H TYR 13 HN TYR 13 -3.619 1.326 -2.147 106 HA TYR 13 HA TYR 13 -2.242 3.412 -3.602 107 HB2 TYR 13 2HB TYR 13 -1.528 4.518 -1.476 108 HB3 TYR 13 1HB TYR 13 -3.239 4.679 -1.840 109 HD1 TYR 13 1HD TYR 13 -4.910 3.534 -0.488 110 HD2 TYR 13 2HD TYR 13 -0.784 3.277 0.459 111 HE1 TYR 13 1HE TYR 13 -5.497 2.757 1.745 112 HE2 TYR 13 2HE TYR 13 -1.351 2.494 2.712 113 HH TYR 13 HH TYR 13 -3.229 2.614 4.279 114 H ARG 14 HN ARG 14 0.072 3.492 -2.900 115 HA ARG 14 HA ARG 14 0.944 0.754 -2.349 116 HB2 ARG 14 2HB ARG 14 2.588 3.007 -3.526 117 HB3 ARG 14 1HB ARG 14 3.029 1.315 -3.441 118 HG2 ARG 14 2HG ARG 14 0.829 2.483 -5.143 119 HG3 ARG 14 1HG ARG 14 2.426 2.006 -5.703 120 HD2 ARG 14 2HD ARG 14 0.360 0.158 -4.503 121 HD3 ARG 14 1HD ARG 14 0.683 0.336 -6.219 122 HE ARG 14 HE ARG 14 2.865 -0.493 -4.470 123 HH11 ARG 14 1HH1 ARG 14 0.607 -1.324 -7.112 124 HH12 ARG 14 2HH1 ARG 14 1.320 -2.839 -7.398 125 HH21 ARG 14 1HH2 ARG 14 3.869 -2.611 -4.957 126 HH22 ARG 14 2HH2 ARG 14 3.216 -3.549 -6.207 127 H LYS 15 HN LYS 15 2.172 0.354 -0.615 128 HA LYS 15 HA LYS 15 3.151 2.643 0.942 129 HB2 LYS 15 2HB LYS 15 2.285 -0.074 1.940 130 HB3 LYS 15 1HB LYS 15 3.146 1.114 2.900 131 HG2 LYS 15 2HG LYS 15 1.237 2.657 2.610 132 HG3 LYS 15 1HG LYS 15 0.381 1.372 1.756 133 HD2 LYS 15 2HD LYS 15 -0.319 1.426 4.110 134 HD3 LYS 15 1HD LYS 15 0.549 -0.061 3.752 135 HE2 LYS 15 2HE LYS 15 2.572 0.834 4.767 136 HE3 LYS 15 1HE LYS 15 1.767 2.377 5.051 137 HZ1 LYS 15 1HZ LYS 15 0.978 -0.225 6.245 138 HZ2 LYS 15 2HZ LYS 15 0.266 1.263 6.570 139 HZ3 LYS 15 3HZ LYS 15 1.867 0.977 7.019 140 H CYS 16 HN CYS 16 5.244 2.559 1.559 141 HA CYS 16 HA CYS 16 6.791 0.250 0.624 142 HB2 CYS 16 2HB CYS 16 7.713 3.131 0.898 143 HB3 CYS 16 1HB CYS 16 8.628 1.797 0.207 144 H ARG 17 HN ARG 17 8.202 -0.608 2.177 145 HA ARG 17 HA ARG 17 7.590 0.154 4.886 146 HB2 ARG 17 2HB ARG 17 8.005 -2.246 4.176 147 HB3 ARG 17 1HB ARG 17 9.701 -1.800 3.994 148 HG2 ARG 17 2HG ARG 17 9.752 -1.141 6.373 149 HG3 ARG 17 1HG ARG 17 8.102 -1.739 6.535 150 HD2 ARG 17 2HD ARG 17 9.560 -3.446 7.320 151 HD3 ARG 17 1HD ARG 17 8.936 -3.962 5.753 152 HE ARG 17 HE ARG 17 11.350 -2.605 5.383 153 HH11 ARG 17 1HH1 ARG 17 10.180 -5.708 6.648 154 HH12 ARG 17 2HH1 ARG 17 11.654 -6.519 6.399 155 HH21 ARG 17 1HH2 ARG 17 13.361 -3.744 5.018 156 HH22 ARG 17 2HH2 ARG 17 13.512 -5.378 5.467 157 HN1 NH2 18 1H ARG 17 8.405 2.040 5.411 158 HN2 NH2 18 2H ARG 17 10.064 2.514 5.297 Start of MODEL 6 1 H1 LYS 1 1HT LYS 1 13.370 -1.257 -3.818 2 H2 LYS 1 2HT LYS 1 13.962 0.239 -3.285 3 H3 LYS 1 3HT LYS 1 12.588 0.147 -4.279 4 HA LYS 1 HA LYS 1 12.771 -1.035 -1.599 5 HB2 LYS 1 2HB LYS 1 11.285 0.782 -0.841 6 HB3 LYS 1 1HB LYS 1 12.819 1.412 -1.400 7 HG2 LYS 1 2HG LYS 1 11.729 2.060 -3.536 8 HG3 LYS 1 1HG LYS 1 10.189 1.499 -2.882 9 HD2 LYS 1 2HD LYS 1 10.350 3.115 -1.066 10 HD3 LYS 1 1HD LYS 1 11.921 3.651 -1.658 11 HE2 LYS 1 2HE LYS 1 10.278 5.244 -2.357 12 HE3 LYS 1 1HE LYS 1 10.804 4.351 -3.777 13 HZ1 LYS 1 1HZ LYS 1 8.260 3.912 -2.281 14 HZ2 LYS 1 2HZ LYS 1 8.756 3.021 -3.634 15 HZ3 LYS 1 3HZ LYS 1 8.443 4.654 -3.778 16 H TRP 2 HN TRP 2 10.898 -2.034 -0.935 17 HA TRP 2 HA TRP 2 9.172 -2.846 -3.112 18 HB2 TRP 2 2HB TRP 2 9.591 -3.918 -0.332 19 HB3 TRP 2 1HB TRP 2 8.302 -4.480 -1.385 20 HD1 TRP 2 1HD TRP 2 12.098 -4.635 -0.953 21 HE1 TRP 2 1HE TRP 2 13.001 -6.544 -2.447 22 HE3 TRP 2 3HE TRP 2 7.824 -5.766 -3.509 23 HZ2 TRP 2 2HZ TRP 2 12.027 -8.277 -4.428 24 HZ3 TRP 2 3HZ TRP 2 7.891 -7.563 -5.188 25 HH2 TRP 2 2HH TRP 2 9.956 -8.792 -5.637 26 H CYS 3 HN CYS 3 7.081 -2.442 -3.179 27 HA CYS 3 HA CYS 3 5.829 -1.054 -0.963 28 HB2 CYS 3 2HB CYS 3 5.649 -0.221 -3.873 29 HB3 CYS 3 1HB CYS 3 4.808 0.519 -2.517 30 H PHE 4 HN PHE 4 3.870 -1.888 -0.610 31 HA PHE 4 HA PHE 4 2.912 -3.736 -2.630 32 HB2 PHE 4 2HB PHE 4 1.581 -4.739 -0.729 33 HB3 PHE 4 1HB PHE 4 3.312 -5.095 -0.763 34 HD1 PHE 4 1HD PHE 4 0.560 -3.748 1.107 35 HD2 PHE 4 2HD PHE 4 4.801 -3.798 0.833 36 HE1 PHE 4 1HE PHE 4 0.719 -2.939 3.416 37 HE2 PHE 4 2HE PHE 4 4.967 -2.986 3.139 38 HZ PHE 4 HZ PHE 4 2.919 -2.556 4.437 39 H ARG 5 HN ARG 5 0.793 -3.851 -3.138 40 HA ARG 5 HA ARG 5 -0.478 -1.276 -2.973 41 HB2 ARG 5 2HB ARG 5 -0.295 -2.199 -5.184 42 HB3 ARG 5 1HB ARG 5 -1.034 -3.704 -4.672 43 HG2 ARG 5 2HG ARG 5 -3.168 -2.615 -4.381 44 HG3 ARG 5 1HG ARG 5 -2.459 -1.045 -4.749 45 HD2 ARG 5 2HD ARG 5 -1.932 -1.808 -7.015 46 HD3 ARG 5 1HD ARG 5 -2.571 -3.404 -6.635 47 HE ARG 5 HE ARG 5 -4.697 -1.943 -6.150 48 HH11 ARG 5 1HH1 ARG 5 -2.440 -1.596 -8.869 49 HH12 ARG 5 2HH1 ARG 5 -3.608 -1.157 -10.006 50 HH21 ARG 5 1HH2 ARG 5 -6.360 -1.336 -7.746 51 HH22 ARG 5 2HH2 ARG 5 -5.896 -1.024 -9.349 52 H VAL 6 HN VAL 6 -1.811 -0.917 -1.364 53 HA VAL 6 HA VAL 6 -3.492 -3.137 -0.433 54 HB VAL 6 HB VAL 6 -2.867 -0.540 1.016 55 HG11 VAL 6 1HG1 VAL 6 -4.292 -3.022 1.984 56 HG12 VAL 6 2HG1 VAL 6 -5.047 -1.474 1.619 57 HG13 VAL 6 3HG1 VAL 6 -3.921 -1.606 2.966 58 HG21 VAL 6 1HG2 VAL 6 -1.790 -3.309 1.531 59 HG22 VAL 6 2HG2 VAL 6 -1.511 -1.895 2.547 60 HG23 VAL 6 3HG2 VAL 6 -0.878 -1.937 0.901 61 H CYS 7 HN CYS 7 -5.537 -2.993 -0.988 62 HA CYS 7 HA CYS 7 -6.556 -0.372 -1.780 63 HB2 CYS 7 2HB CYS 7 -7.497 -3.142 -2.551 64 HB3 CYS 7 1HB CYS 7 -8.269 -1.638 -3.045 65 H TYR 8 HN TYR 8 -7.570 0.512 -0.236 66 HA TYR 8 HA TYR 8 -9.062 -1.171 1.655 67 HB2 TYR 8 2HB TYR 8 -6.996 0.171 2.413 68 HB3 TYR 8 1HB TYR 8 -7.998 1.594 2.184 69 HD1 TYR 8 1HD TYR 8 -9.941 2.011 3.668 70 HD2 TYR 8 2HD TYR 8 -7.379 -1.321 4.242 71 HE1 TYR 8 1HE TYR 8 -10.867 1.696 5.902 72 HE2 TYR 8 2HE TYR 8 -8.284 -1.658 6.467 73 HH TYR 8 HH TYR 8 -11.128 -0.137 7.487 74 H ARG 9 HN ARG 9 -11.132 -1.043 1.127 75 HA ARG 9 HA ARG 9 -13.206 -0.321 0.571 76 HB2 ARG 9 2HB ARG 9 -12.153 2.368 1.478 77 HB3 ARG 9 1HB ARG 9 -13.838 2.034 1.120 78 HG2 ARG 9 2HG ARG 9 -13.859 0.357 2.922 79 HG3 ARG 9 1HG ARG 9 -12.184 0.775 3.293 80 HD2 ARG 9 2HD ARG 9 -13.692 1.913 4.805 81 HD3 ARG 9 1HD ARG 9 -12.882 3.083 3.764 82 HE ARG 9 HE ARG 9 -15.146 2.652 2.425 83 HH11 ARG 9 1HH1 ARG 9 -14.646 3.354 5.879 84 HH12 ARG 9 2HH1 ARG 9 -16.136 4.149 6.055 85 HH21 ARG 9 1HH2 ARG 9 -17.182 3.769 2.711 86 HH22 ARG 9 2HH2 ARG 9 -17.600 4.367 4.248 87 H GLY 10 HN GLY 10 -11.022 -0.283 -1.365 88 HA2 GLY 10 2HA GLY 10 -11.305 -0.041 -3.698 89 HA3 GLY 10 1HA GLY 10 -12.350 1.343 -3.402 90 H ILE 11 HN ILE 11 -10.153 2.133 -1.344 91 HA ILE 11 HA ILE 11 -8.688 3.808 -3.199 92 HB ILE 11 HB ILE 11 -8.443 3.581 -0.182 93 HG12 ILE 11 2HG1 ILE 11 -10.692 4.328 -0.803 94 HG13 ILE 11 1HG1 ILE 11 -9.788 5.636 -0.053 95 HG21 ILE 11 1HG2 ILE 11 -7.413 5.720 -2.041 96 HG22 ILE 11 2HG2 ILE 11 -6.445 4.532 -1.170 97 HG23 ILE 11 3HG2 ILE 11 -7.333 5.768 -0.280 98 HD11 ILE 11 1HD1 ILE 11 -10.301 5.284 -2.994 99 HD12 ILE 11 2HD1 ILE 11 -9.365 6.586 -2.267 100 HD13 ILE 11 3HD1 ILE 11 -11.090 6.441 -1.921 101 H CYS 12 HN CYS 12 -7.008 2.877 -4.200 102 HA CYS 12 HA CYS 12 -5.461 0.887 -2.733 103 HB2 CYS 12 2HB CYS 12 -5.424 1.577 -5.682 104 HB3 CYS 12 1HB CYS 12 -4.507 0.290 -4.910 105 H TYR 13 HN TYR 13 -3.610 1.365 -1.930 106 HA TYR 13 HA TYR 13 -2.100 3.605 -3.032 107 HB2 TYR 13 2HB TYR 13 -1.492 4.313 -0.742 108 HB3 TYR 13 1HB TYR 13 -3.215 4.436 -1.066 109 HD1 TYR 13 1HD TYR 13 -0.643 2.729 0.923 110 HD2 TYR 13 2HD TYR 13 -4.812 2.988 0.082 111 HE1 TYR 13 1HE TYR 13 -1.132 1.502 2.980 112 HE2 TYR 13 2HE TYR 13 -5.309 1.757 2.133 113 HH TYR 13 HH TYR 13 -3.066 1.290 4.567 114 H ARG 14 HN ARG 14 0.183 3.524 -2.443 115 HA ARG 14 HA ARG 14 1.047 0.738 -2.281 116 HB2 ARG 14 2HB ARG 14 2.648 3.137 -3.184 117 HB3 ARG 14 1HB ARG 14 3.118 1.451 -3.304 118 HG2 ARG 14 2HG ARG 14 1.244 1.086 -4.860 119 HG3 ARG 14 1HG ARG 14 0.920 2.823 -4.820 120 HD2 ARG 14 2HD ARG 14 2.255 2.398 -6.747 121 HD3 ARG 14 1HD ARG 14 3.293 3.178 -5.554 122 HE ARG 14 HE ARG 14 3.258 0.266 -5.774 123 HH11 ARG 14 1HH1 ARG 14 5.120 3.282 -6.035 124 HH12 ARG 14 2HH1 ARG 14 6.582 2.498 -6.407 125 HH21 ARG 14 1HH2 ARG 14 5.225 -0.774 -6.289 126 HH22 ARG 14 2HH2 ARG 14 6.642 0.125 -6.590 127 H LYS 15 HN LYS 15 1.734 0.162 -0.387 128 HA LYS 15 HA LYS 15 2.782 2.241 1.388 129 HB2 LYS 15 2HB LYS 15 0.820 0.655 2.033 130 HB3 LYS 15 1HB LYS 15 2.070 -0.569 2.212 131 HG2 LYS 15 2HG LYS 15 3.182 0.762 3.884 132 HG3 LYS 15 1HG LYS 15 2.011 2.060 3.657 133 HD2 LYS 15 2HD LYS 15 0.224 0.447 4.354 134 HD3 LYS 15 1HD LYS 15 1.503 -0.694 4.768 135 HE2 LYS 15 2HE LYS 15 1.129 2.066 5.929 136 HE3 LYS 15 1HE LYS 15 0.758 0.548 6.744 137 HZ1 LYS 15 1HZ LYS 15 3.128 -0.001 6.663 138 HZ2 LYS 15 2HZ LYS 15 2.876 1.460 7.448 139 HZ3 LYS 15 3HZ LYS 15 3.455 1.457 5.883 140 H CYS 16 HN CYS 16 4.939 2.286 1.701 141 HA CYS 16 HA CYS 16 6.483 0.035 0.607 142 HB2 CYS 16 2HB CYS 16 7.332 2.920 0.915 143 HB3 CYS 16 1HB CYS 16 8.190 1.643 0.074 144 H ARG 17 HN ARG 17 8.752 -0.016 1.606 145 HA ARG 17 HA ARG 17 8.618 0.559 4.480 146 HB2 ARG 17 2HB ARG 17 10.341 -1.415 2.959 147 HB3 ARG 17 1HB ARG 17 10.564 -1.032 4.653 148 HG2 ARG 17 2HG ARG 17 8.143 -2.318 3.416 149 HG3 ARG 17 1HG ARG 17 9.379 -3.116 4.392 150 HD2 ARG 17 2HD ARG 17 7.437 -0.990 5.275 151 HD3 ARG 17 1HD ARG 17 7.473 -2.681 5.779 152 HE ARG 17 HE ARG 17 9.858 -1.887 6.571 153 HH11 ARG 17 1HH1 ARG 17 6.678 -0.377 7.055 154 HH12 ARG 17 2HH1 ARG 17 7.146 0.486 8.431 155 HH21 ARG 17 1HH2 ARG 17 10.493 -0.711 8.463 156 HH22 ARG 17 2HH2 ARG 17 9.372 0.292 9.260 157 HN1 NH2 18 1H ARG 17 9.114 2.742 4.078 158 HN2 NH2 18 2H ARG 17 10.718 3.230 3.671 Start of MODEL 7 1 H1 LYS 1 1HT LYS 1 13.305 1.443 -3.690 2 H2 LYS 1 2HT LYS 1 11.846 1.245 -4.544 3 H3 LYS 1 3HT LYS 1 12.877 -0.050 -4.364 4 HA LYS 1 HA LYS 1 12.485 -0.093 -2.002 5 HB2 LYS 1 2HB LYS 1 10.555 2.152 -2.665 6 HB3 LYS 1 1HB LYS 1 10.600 1.291 -1.142 7 HG2 LYS 1 2HG LYS 1 12.906 2.898 -2.217 8 HG3 LYS 1 1HG LYS 1 11.669 3.528 -1.130 9 HD2 LYS 1 2HD LYS 1 12.281 1.855 0.547 10 HD3 LYS 1 1HD LYS 1 13.524 1.222 -0.535 11 HE2 LYS 1 2HE LYS 1 14.713 3.305 -0.473 12 HE3 LYS 1 1HE LYS 1 13.428 4.066 0.460 13 HZ1 LYS 1 1HZ LYS 1 15.299 3.436 1.845 14 HZ2 LYS 1 2HZ LYS 1 15.158 1.833 1.392 15 HZ3 LYS 1 3HZ LYS 1 13.928 2.576 2.285 16 H TRP 2 HN TRP 2 10.874 -1.514 -1.329 17 HA TRP 2 HA TRP 2 9.065 -2.367 -3.431 18 HB2 TRP 2 2HB TRP 2 9.929 -3.724 -0.865 19 HB3 TRP 2 1HB TRP 2 8.736 -4.384 -1.978 20 HD1 TRP 2 1HD TRP 2 9.648 -5.249 -4.372 21 HE1 TRP 2 1HE TRP 2 11.997 -6.068 -5.095 22 HE3 TRP 2 3HE TRP 2 12.397 -3.391 -0.491 23 HZ2 TRP 2 2HZ TRP 2 14.631 -5.941 -4.138 24 HZ3 TRP 2 3HZ TRP 2 14.828 -3.784 -0.470 25 HH2 TRP 2 2HH TRP 2 15.913 -5.036 -2.260 26 H CYS 3 HN CYS 3 7.000 -1.911 -3.293 27 HA CYS 3 HA CYS 3 5.991 -0.945 -0.719 28 HB2 CYS 3 2HB CYS 3 5.252 0.183 -3.423 29 HB3 CYS 3 1HB CYS 3 4.854 0.842 -1.839 30 H PHE 4 HN PHE 4 4.140 -1.830 -0.096 31 HA PHE 4 HA PHE 4 2.968 -3.772 -1.892 32 HB2 PHE 4 2HB PHE 4 1.646 -4.443 0.142 33 HB3 PHE 4 1HB PHE 4 3.374 -4.786 0.205 34 HD1 PHE 4 1HD PHE 4 4.787 -3.515 1.744 35 HD2 PHE 4 2HD PHE 4 0.590 -2.917 1.609 36 HE1 PHE 4 1HE PHE 4 4.887 -2.396 3.909 37 HE2 PHE 4 2HE PHE 4 0.681 -1.779 3.784 38 HZ PHE 4 HZ PHE 4 2.839 -1.519 4.942 39 H ARG 5 HN ARG 5 0.740 -3.884 -2.246 40 HA ARG 5 HA ARG 5 -0.295 -1.165 -2.416 41 HB2 ARG 5 2HB ARG 5 0.185 -2.462 -4.517 42 HB3 ARG 5 1HB ARG 5 -1.103 -3.561 -4.055 43 HG2 ARG 5 2HG ARG 5 -2.697 -1.692 -4.138 44 HG3 ARG 5 1HG ARG 5 -1.392 -0.627 -4.669 45 HD2 ARG 5 2HD ARG 5 -1.020 -2.217 -6.584 46 HD3 ARG 5 1HD ARG 5 -2.490 -3.039 -6.088 47 HE ARG 5 HE ARG 5 -2.550 -0.188 -6.721 48 HH11 ARG 5 1HH1 ARG 5 -3.713 -3.474 -7.386 49 HH12 ARG 5 2HH1 ARG 5 -4.777 -2.991 -8.623 50 HH21 ARG 5 1HH2 ARG 5 -4.011 0.463 -8.454 51 HH22 ARG 5 2HH2 ARG 5 -4.939 -0.727 -9.237 52 H VAL 6 HN VAL 6 -1.648 -0.793 -0.817 53 HA VAL 6 HA VAL 6 -3.352 -2.940 0.187 54 HB VAL 6 HB VAL 6 -3.009 -0.118 1.258 55 HG11 VAL 6 1HG1 VAL 6 -4.332 -2.515 2.544 56 HG12 VAL 6 2HG1 VAL 6 -5.160 -1.108 1.892 57 HG13 VAL 6 3HG1 VAL 6 -4.115 -0.936 3.295 58 HG21 VAL 6 1HG2 VAL 6 -1.662 -1.132 3.040 59 HG22 VAL 6 2HG2 VAL 6 -0.934 -1.349 1.450 60 HG23 VAL 6 3HG2 VAL 6 -1.778 -2.693 2.226 61 H CYS 7 HN CYS 7 -5.409 -3.024 -0.418 62 HA CYS 7 HA CYS 7 -6.563 -0.633 -1.641 63 HB2 CYS 7 2HB CYS 7 -7.270 -3.545 -2.044 64 HB3 CYS 7 1HB CYS 7 -8.186 -2.197 -2.712 65 H TYR 8 HN TYR 8 -7.667 0.399 -0.287 66 HA TYR 8 HA TYR 8 -9.262 -1.035 1.731 67 HB2 TYR 8 2HB TYR 8 -7.087 0.134 2.450 68 HB3 TYR 8 1HB TYR 8 -7.909 1.630 2.076 69 HD1 TYR 8 1HD TYR 8 -7.782 -1.203 4.379 70 HD2 TYR 8 2HD TYR 8 -9.690 2.488 3.500 71 HE1 TYR 8 1HE TYR 8 -8.731 -1.179 6.611 72 HE2 TYR 8 2HE TYR 8 -10.657 2.538 5.740 73 HH TYR 8 HH TYR 8 -9.631 0.498 8.222 74 H ARG 9 HN ARG 9 -11.299 -0.769 0.943 75 HA ARG 9 HA ARG 9 -13.258 0.179 0.296 76 HB2 ARG 9 2HB ARG 9 -11.941 2.761 1.190 77 HB3 ARG 9 1HB ARG 9 -13.621 2.640 0.695 78 HG2 ARG 9 2HG ARG 9 -14.056 1.113 2.551 79 HG3 ARG 9 1HG ARG 9 -12.364 1.233 3.040 80 HD2 ARG 9 2HD ARG 9 -14.315 3.532 2.894 81 HD3 ARG 9 1HD ARG 9 -13.818 2.703 4.369 82 HE ARG 9 HE ARG 9 -11.567 3.658 2.949 83 HH11 ARG 9 1HH1 ARG 9 -14.237 4.895 4.915 84 HH12 ARG 9 2HH1 ARG 9 -13.336 6.166 5.593 85 HH21 ARG 9 1HH2 ARG 9 -10.325 5.410 3.887 86 HH22 ARG 9 2HH2 ARG 9 -11.083 6.453 4.991 87 H GLY 10 HN GLY 10 -11.225 -0.315 -1.542 88 HA2 GLY 10 2HA GLY 10 -11.159 -0.133 -3.851 89 HA3 GLY 10 1HA GLY 10 -12.183 1.294 -3.748 90 H ILE 11 HN ILE 11 -10.024 2.057 -1.572 91 HA ILE 11 HA ILE 11 -8.415 3.547 -3.433 92 HB ILE 11 HB ILE 11 -8.455 3.541 -0.402 93 HG12 ILE 11 2HG1 ILE 11 -10.513 4.425 -1.414 94 HG13 ILE 11 1HG1 ILE 11 -9.602 5.698 -0.617 95 HG21 ILE 11 1HG2 ILE 11 -7.011 5.422 -2.264 96 HG22 ILE 11 2HG2 ILE 11 -6.260 4.179 -1.268 97 HG23 ILE 11 3HG2 ILE 11 -7.076 5.541 -0.502 98 HD11 ILE 11 1HD1 ILE 11 -9.743 5.174 -3.585 99 HD12 ILE 11 2HD1 ILE 11 -8.736 6.401 -2.822 100 HD13 ILE 11 3HD1 ILE 11 -10.491 6.511 -2.707 101 H CYS 12 HN CYS 12 -6.905 2.369 -4.340 102 HA CYS 12 HA CYS 12 -5.335 0.573 -2.673 103 HB2 CYS 12 2HB CYS 12 -5.391 0.909 -5.684 104 HB3 CYS 12 1HB CYS 12 -4.444 -0.286 -4.810 105 H TYR 13 HN TYR 13 -3.472 1.251 -1.955 106 HA TYR 13 HA TYR 13 -1.994 3.274 -3.455 107 HB2 TYR 13 2HB TYR 13 -1.431 4.444 -1.343 108 HB3 TYR 13 1HB TYR 13 -3.162 4.453 -1.651 109 HD1 TYR 13 1HD TYR 13 -0.509 3.280 0.573 110 HD2 TYR 13 2HD TYR 13 -4.682 3.118 -0.244 111 HE1 TYR 13 1HE TYR 13 -0.902 2.377 2.803 112 HE2 TYR 13 2HE TYR 13 -5.096 2.219 1.978 113 HH TYR 13 HH TYR 13 -2.673 2.220 4.416 114 H ARG 14 HN ARG 14 0.303 3.205 -2.960 115 HA ARG 14 HA ARG 14 1.015 0.566 -1.964 116 HB2 ARG 14 2HB ARG 14 3.109 0.743 -3.303 117 HB3 ARG 14 1HB ARG 14 1.642 0.682 -4.258 118 HG2 ARG 14 2HG ARG 14 1.774 3.101 -4.604 119 HG3 ARG 14 1HG ARG 14 3.248 3.151 -3.636 120 HD2 ARG 14 2HD ARG 14 4.354 1.674 -5.220 121 HD3 ARG 14 1HD ARG 14 2.880 1.578 -6.183 122 HE ARG 14 HE ARG 14 3.306 4.190 -6.098 123 HH11 ARG 14 1HH1 ARG 14 5.525 1.515 -6.868 124 HH12 ARG 14 2HH1 ARG 14 6.481 2.421 -7.944 125 HH21 ARG 14 1HH2 ARG 14 4.631 5.433 -7.606 126 HH22 ARG 14 2HH2 ARG 14 5.960 4.700 -8.363 127 H LYS 15 HN LYS 15 1.733 0.520 -0.092 128 HA LYS 15 HA LYS 15 3.051 2.842 1.100 129 HB2 LYS 15 2HB LYS 15 1.084 1.673 2.183 130 HB3 LYS 15 1HB LYS 15 2.106 0.264 2.370 131 HG2 LYS 15 2HG LYS 15 3.566 1.480 3.869 132 HG3 LYS 15 1HG LYS 15 2.626 2.957 3.618 133 HD2 LYS 15 2HD LYS 15 0.628 1.784 4.486 134 HD3 LYS 15 1HD LYS 15 1.632 0.381 4.827 135 HE2 LYS 15 2HE LYS 15 2.970 1.715 6.382 136 HE3 LYS 15 1HE LYS 15 1.985 3.131 6.018 137 HZ1 LYS 15 1HZ LYS 15 1.022 0.624 7.306 138 HZ2 LYS 15 2HZ LYS 15 0.046 1.921 6.883 139 HZ3 LYS 15 3HZ LYS 15 1.215 2.121 8.052 140 H CYS 16 HN CYS 16 5.217 2.705 1.631 141 HA CYS 16 HA CYS 16 6.539 0.412 0.425 142 HB2 CYS 16 2HB CYS 16 7.626 3.138 1.069 143 HB3 CYS 16 1HB CYS 16 8.463 1.865 0.180 144 H ARG 17 HN ARG 17 7.726 -0.955 1.457 145 HA ARG 17 HA ARG 17 8.677 -0.353 4.140 146 HB2 ARG 17 2HB ARG 17 6.502 -1.402 4.426 147 HB3 ARG 17 1HB ARG 17 6.993 -2.766 3.431 148 HG2 ARG 17 2HG ARG 17 7.031 -3.427 5.731 149 HG3 ARG 17 1HG ARG 17 8.697 -3.307 5.172 150 HD2 ARG 17 2HD ARG 17 7.291 -1.089 6.650 151 HD3 ARG 17 1HD ARG 17 8.206 -2.345 7.468 152 HE ARG 17 HE ARG 17 10.053 -1.473 5.843 153 HH11 ARG 17 1HH1 ARG 17 7.700 0.479 7.635 154 HH12 ARG 17 2HH1 ARG 17 8.762 1.772 7.896 155 HH21 ARG 17 1HH2 ARG 17 11.521 0.321 6.209 156 HH22 ARG 17 2HH2 ARG 17 10.997 1.667 7.089 157 HN1 NH2 18 1H ARG 17 8.436 -3.386 2.349 158 HN2 NH2 18 2H ARG 17 10.133 -3.592 2.126 Start of MODEL 8 1 H1 LYS 1 1HT LYS 1 13.681 0.667 -1.036 2 H2 LYS 1 2HT LYS 1 13.099 -0.851 -0.628 3 H3 LYS 1 3HT LYS 1 12.077 0.495 -0.605 4 HA LYS 1 HA LYS 1 12.286 0.789 -2.954 5 HB2 LYS 1 2HB LYS 1 14.607 -0.161 -3.090 6 HB3 LYS 1 1HB LYS 1 13.921 -1.764 -2.897 7 HG2 LYS 1 2HG LYS 1 12.692 -1.487 -4.998 8 HG3 LYS 1 1HG LYS 1 13.398 0.117 -5.191 9 HD2 LYS 1 2HD LYS 1 15.643 -0.897 -5.215 10 HD3 LYS 1 1HD LYS 1 14.908 -2.495 -5.073 11 HE2 LYS 1 2HE LYS 1 13.739 -2.138 -7.201 12 HE3 LYS 1 1HE LYS 1 14.485 -0.545 -7.339 13 HZ1 LYS 1 1HZ LYS 1 15.687 -2.129 -8.653 14 HZ2 LYS 1 2HZ LYS 1 15.901 -3.155 -7.329 15 HZ3 LYS 1 3HZ LYS 1 16.655 -1.649 -7.355 16 H TRP 2 HN TRP 2 11.537 -1.927 -0.844 17 HA TRP 2 HA TRP 2 9.775 -3.085 -2.789 18 HB2 TRP 2 2HB TRP 2 10.202 -3.736 0.125 19 HB3 TRP 2 1HB TRP 2 9.102 -4.604 -0.936 20 HD1 TRP 2 1HD TRP 2 10.614 -5.364 -3.368 21 HE1 TRP 2 1HE TRP 2 12.779 -6.757 -3.330 22 HE3 TRP 2 3HE TRP 2 12.043 -4.471 1.444 23 HZ2 TRP 2 2HZ TRP 2 14.812 -7.398 -1.483 24 HZ3 TRP 2 3HZ TRP 2 14.101 -5.510 2.272 25 HH2 TRP 2 2HH TRP 2 15.455 -6.946 0.839 26 H CYS 3 HN CYS 3 7.704 -2.742 -3.033 27 HA CYS 3 HA CYS 3 6.256 -1.213 -1.027 28 HB2 CYS 3 2HB CYS 3 6.299 -0.571 -3.984 29 HB3 CYS 3 1HB CYS 3 5.382 0.266 -2.741 30 H PHE 4 HN PHE 4 4.016 -1.634 -1.090 31 HA PHE 4 HA PHE 4 3.101 -3.573 -3.047 32 HB2 PHE 4 2HB PHE 4 1.839 -4.735 -1.216 33 HB3 PHE 4 1HB PHE 4 3.597 -4.965 -1.203 34 HD1 PHE 4 1HD PHE 4 4.950 -3.855 0.545 35 HD2 PHE 4 2HD PHE 4 0.700 -3.728 0.595 36 HE1 PHE 4 1HE PHE 4 4.997 -3.193 2.917 37 HE2 PHE 4 2HE PHE 4 0.748 -3.066 2.957 38 HZ PHE 4 HZ PHE 4 2.905 -2.794 4.116 39 H ARG 5 HN ARG 5 0.743 -3.710 -3.151 40 HA ARG 5 HA ARG 5 -0.346 -1.029 -2.789 41 HB2 ARG 5 2HB ARG 5 -0.246 -1.946 -5.085 42 HB3 ARG 5 1HB ARG 5 -1.259 -3.286 -4.575 43 HG2 ARG 5 2HG ARG 5 -3.010 -1.593 -3.970 44 HG3 ARG 5 1HG ARG 5 -2.009 -0.387 -4.781 45 HD2 ARG 5 2HD ARG 5 -3.680 -1.193 -6.310 46 HD3 ARG 5 1HD ARG 5 -2.096 -1.768 -6.838 47 HE ARG 5 HE ARG 5 -2.933 -3.837 -5.388 48 HH11 ARG 5 1HH1 ARG 5 -4.662 -1.983 -7.872 49 HH12 ARG 5 2HH1 ARG 5 -5.673 -3.284 -8.296 50 HH21 ARG 5 1HH2 ARG 5 -4.286 -5.605 -6.019 51 HH22 ARG 5 2HH2 ARG 5 -5.449 -5.374 -7.251 52 H VAL 6 HN VAL 6 -1.945 -0.745 -1.343 53 HA VAL 6 HA VAL 6 -3.377 -3.121 -0.381 54 HB VAL 6 HB VAL 6 -2.787 -0.526 1.113 55 HG11 VAL 6 1HG1 VAL 6 -3.887 -1.558 3.060 56 HG12 VAL 6 2HG1 VAL 6 -4.313 -2.956 2.083 57 HG13 VAL 6 3HG1 VAL 6 -5.010 -1.382 1.716 58 HG21 VAL 6 1HG2 VAL 6 -1.829 -3.340 1.601 59 HG22 VAL 6 2HG2 VAL 6 -1.514 -1.957 2.646 60 HG23 VAL 6 3HG2 VAL 6 -0.858 -1.992 1.008 61 H CYS 7 HN CYS 7 -5.589 -3.028 -0.633 62 HA CYS 7 HA CYS 7 -6.634 -0.486 -1.612 63 HB2 CYS 7 2HB CYS 7 -7.626 -3.300 -2.083 64 HB3 CYS 7 1HB CYS 7 -8.459 -1.845 -2.625 65 H TYR 8 HN TYR 8 -7.540 0.562 -0.139 66 HA TYR 8 HA TYR 8 -8.891 -0.885 2.012 67 HB2 TYR 8 2HB TYR 8 -6.758 0.453 2.498 68 HB3 TYR 8 1HB TYR 8 -7.716 1.885 2.151 69 HD1 TYR 8 1HD TYR 8 -7.281 -0.952 4.431 70 HD2 TYR 8 2HD TYR 8 -9.281 2.731 3.762 71 HE1 TYR 8 1HE TYR 8 -8.000 -0.947 6.746 72 HE2 TYR 8 2HE TYR 8 -10.028 2.758 6.085 73 HH TYR 8 HH TYR 8 -10.383 1.250 7.881 74 H ARG 9 HN ARG 9 -10.906 -0.901 1.242 75 HA ARG 9 HA ARG 9 -13.049 -0.205 0.946 76 HB2 ARG 9 2HB ARG 9 -12.011 2.547 1.684 77 HB3 ARG 9 1HB ARG 9 -13.699 2.087 1.600 78 HG2 ARG 9 2HG ARG 9 -11.713 0.861 3.510 79 HG3 ARG 9 1HG ARG 9 -12.741 2.229 3.909 80 HD2 ARG 9 2HD ARG 9 -13.706 0.228 4.792 81 HD3 ARG 9 1HD ARG 9 -14.729 0.800 3.482 82 HE ARG 9 HE ARG 9 -12.921 -1.151 2.511 83 HH11 ARG 9 1HH1 ARG 9 -15.659 -0.990 4.732 84 HH12 ARG 9 2HH1 ARG 9 -16.299 -2.496 4.287 85 HH21 ARG 9 1HH2 ARG 9 -13.749 -3.245 1.933 86 HH22 ARG 9 2HH2 ARG 9 -15.164 -3.832 2.682 87 H GLY 10 HN GLY 10 -11.134 -0.294 -1.182 88 HA2 GLY 10 2HA GLY 10 -11.642 -0.069 -3.489 89 HA3 GLY 10 1HA GLY 10 -12.570 1.378 -3.118 90 H ILE 11 HN ILE 11 -10.291 2.216 -1.345 91 HA ILE 11 HA ILE 11 -8.862 3.653 -3.400 92 HB ILE 11 HB ILE 11 -8.568 3.748 -0.382 93 HG12 ILE 11 2HG1 ILE 11 -10.817 4.438 -1.040 94 HG13 ILE 11 1HG1 ILE 11 -9.892 5.823 -0.477 95 HG21 ILE 11 1HG2 ILE 11 -7.554 5.674 -2.471 96 HG22 ILE 11 2HG2 ILE 11 -6.573 4.568 -1.511 97 HG23 ILE 11 3HG2 ILE 11 -7.435 5.893 -0.726 98 HD11 ILE 11 1HD1 ILE 11 -9.529 6.505 -2.805 99 HD12 ILE 11 2HD1 ILE 11 -11.240 6.402 -2.396 100 HD13 ILE 11 3HD1 ILE 11 -10.486 5.125 -3.350 101 H CYS 12 HN CYS 12 -7.291 2.552 -4.361 102 HA CYS 12 HA CYS 12 -5.682 0.701 -2.783 103 HB2 CYS 12 2HB CYS 12 -5.835 1.102 -5.777 104 HB3 CYS 12 1HB CYS 12 -4.874 -0.113 -4.939 105 H TYR 13 HN TYR 13 -3.909 1.404 -1.985 106 HA TYR 13 HA TYR 13 -2.461 3.481 -3.425 107 HB2 TYR 13 2HB TYR 13 -1.846 4.498 -1.255 108 HB3 TYR 13 1HB TYR 13 -3.574 4.544 -1.578 109 HD1 TYR 13 1HD TYR 13 -5.134 3.343 -0.161 110 HD2 TYR 13 2HD TYR 13 -0.948 3.075 0.520 111 HE1 TYR 13 1HE TYR 13 -5.556 2.375 2.047 112 HE2 TYR 13 2HE TYR 13 -1.365 2.109 2.723 113 HH TYR 13 HH TYR 13 -3.106 2.050 4.384 114 H ARG 14 HN ARG 14 -0.187 3.559 -2.841 115 HA ARG 14 HA ARG 14 0.796 0.832 -2.457 116 HB2 ARG 14 2HB ARG 14 1.385 1.946 -4.554 117 HB3 ARG 14 1HB ARG 14 2.150 3.248 -3.654 118 HG2 ARG 14 2HG ARG 14 3.725 1.572 -2.721 119 HG3 ARG 14 1HG ARG 14 3.019 0.369 -3.808 120 HD2 ARG 14 2HD ARG 14 5.017 1.298 -4.814 121 HD3 ARG 14 1HD ARG 14 3.595 1.819 -5.718 122 HE ARG 14 HE ARG 14 4.580 3.594 -3.643 123 HH11 ARG 14 1HH1 ARG 14 4.422 2.900 -7.114 124 HH12 ARG 14 2HH1 ARG 14 4.851 4.474 -7.580 125 HH21 ARG 14 1HH2 ARG 14 5.140 5.747 -4.284 126 HH22 ARG 14 2HH2 ARG 14 5.239 6.154 -5.924 127 H LYS 15 HN LYS 15 1.901 0.335 -0.717 128 HA LYS 15 HA LYS 15 2.874 2.475 1.053 129 HB2 LYS 15 2HB LYS 15 2.276 -0.434 1.621 130 HB3 LYS 15 1HB LYS 15 2.981 0.691 2.767 131 HG2 LYS 15 2HG LYS 15 0.952 2.011 2.753 132 HG3 LYS 15 1HG LYS 15 0.253 0.945 1.533 133 HD2 LYS 15 2HD LYS 15 -0.607 0.351 3.732 134 HD3 LYS 15 1HD LYS 15 0.410 -0.937 3.105 135 HE2 LYS 15 2HE LYS 15 0.883 -0.598 5.454 136 HE3 LYS 15 1HE LYS 15 2.277 -0.121 4.499 137 HZ1 LYS 15 1HZ LYS 15 0.259 1.694 5.693 138 HZ2 LYS 15 2HZ LYS 15 1.546 2.198 4.742 139 HZ3 LYS 15 3HZ LYS 15 1.847 1.486 6.236 140 H CYS 16 HN CYS 16 5.030 2.656 1.209 141 HA CYS 16 HA CYS 16 6.588 0.443 0.152 142 HB2 CYS 16 2HB CYS 16 7.290 3.374 0.378 143 HB3 CYS 16 1HB CYS 16 8.444 2.125 -0.087 144 H ARG 17 HN ARG 17 7.744 -0.699 1.416 145 HA ARG 17 HA ARG 17 7.621 -0.075 4.239 146 HB2 ARG 17 2HB ARG 17 8.231 -2.473 4.562 147 HB3 ARG 17 1HB ARG 17 6.761 -2.242 3.638 148 HG2 ARG 17 2HG ARG 17 8.163 -2.581 1.554 149 HG3 ARG 17 1HG ARG 17 9.471 -3.074 2.621 150 HD2 ARG 17 2HD ARG 17 6.762 -4.372 2.356 151 HD3 ARG 17 1HD ARG 17 8.295 -5.011 1.779 152 HE ARG 17 HE ARG 17 8.612 -4.616 4.462 153 HH11 ARG 17 1HH1 ARG 17 6.553 -6.611 2.369 154 HH12 ARG 17 2HH1 ARG 17 6.254 -7.806 3.549 155 HH21 ARG 17 1HH2 ARG 17 8.164 -6.287 6.096 156 HH22 ARG 17 2HH2 ARG 17 7.186 -7.615 5.693 157 HN1 NH2 18 1H ARG 17 9.181 1.327 4.662 158 HN2 NH2 18 2H ARG 17 10.870 1.051 4.403 Start of MODEL 9 1 H1 LYS 1 1HT LYS 1 11.761 0.361 -4.122 2 H2 LYS 1 2HT LYS 1 12.616 -1.079 -4.281 3 H3 LYS 1 3HT LYS 1 13.401 0.277 -3.672 4 HA LYS 1 HA LYS 1 12.833 -1.320 -1.963 5 HB2 LYS 1 2HB LYS 1 11.117 1.178 -1.840 6 HB3 LYS 1 1HB LYS 1 11.475 0.137 -0.478 7 HG2 LYS 1 2HG LYS 1 13.454 1.801 -2.028 8 HG3 LYS 1 1HG LYS 1 12.846 2.122 -0.404 9 HD2 LYS 1 2HD LYS 1 13.816 -0.060 0.314 10 HD3 LYS 1 1HD LYS 1 14.547 -0.213 -1.276 11 HE2 LYS 1 2HE LYS 1 16.209 0.661 0.222 12 HE3 LYS 1 1HE LYS 1 15.727 1.939 -0.886 13 HZ1 LYS 1 1HZ LYS 1 14.793 1.643 1.924 14 HZ2 LYS 1 2HZ LYS 1 14.292 2.842 0.855 15 HZ3 LYS 1 3HZ LYS 1 15.890 2.780 1.340 16 H TRP 2 HN TRP 2 11.123 -2.349 -0.753 17 HA TRP 2 HA TRP 2 9.163 -3.471 -2.471 18 HB2 TRP 2 2HB TRP 2 10.234 -4.850 -0.778 19 HB3 TRP 2 1HB TRP 2 9.639 -3.790 0.493 20 HD1 TRP 2 1HD TRP 2 7.333 -4.293 1.456 21 HE1 TRP 2 1HE TRP 2 5.459 -6.032 0.948 22 HE3 TRP 2 3HE TRP 2 9.136 -6.182 -2.917 23 HZ2 TRP 2 2HZ TRP 2 4.860 -7.915 -1.031 24 HZ3 TRP 2 3HZ TRP 2 7.850 -7.945 -4.061 25 HH2 TRP 2 2HH TRP 2 5.764 -8.790 -3.135 26 H CYS 3 HN CYS 3 7.430 -2.523 -3.002 27 HA CYS 3 HA CYS 3 5.895 -1.106 -0.966 28 HB2 CYS 3 2HB CYS 3 6.214 -0.260 -3.856 29 HB3 CYS 3 1HB CYS 3 5.251 0.554 -2.630 30 H PHE 4 HN PHE 4 3.884 -1.839 -0.892 31 HA PHE 4 HA PHE 4 3.064 -3.622 -3.044 32 HB2 PHE 4 2HB PHE 4 1.664 -4.722 -1.253 33 HB3 PHE 4 1HB PHE 4 3.396 -5.070 -1.229 34 HD1 PHE 4 1HD PHE 4 0.562 -3.832 0.606 35 HD2 PHE 4 2HD PHE 4 4.807 -3.848 0.511 36 HE1 PHE 4 1HE PHE 4 0.618 -3.171 2.975 37 HE2 PHE 4 2HE PHE 4 4.871 -3.178 2.873 38 HZ PHE 4 HZ PHE 4 2.775 -2.841 4.112 39 H ARG 5 HN ARG 5 0.936 -3.705 -3.613 40 HA ARG 5 HA ARG 5 -0.369 -1.179 -3.392 41 HB2 ARG 5 2HB ARG 5 -0.434 -2.361 -5.537 42 HB3 ARG 5 1HB ARG 5 -1.233 -3.730 -4.778 43 HG2 ARG 5 2HG ARG 5 -3.157 -2.226 -4.246 44 HG3 ARG 5 1HG ARG 5 -2.367 -0.966 -5.190 45 HD2 ARG 5 2HD ARG 5 -3.182 -3.678 -6.246 46 HD3 ARG 5 1HD ARG 5 -4.106 -2.196 -6.455 47 HE ARG 5 HE ARG 5 -1.631 -1.630 -7.449 48 HH11 ARG 5 1HH1 ARG 5 -4.121 -4.068 -8.167 49 HH12 ARG 5 2HH1 ARG 5 -3.716 -4.162 -9.822 50 HH21 ARG 5 1HH2 ARG 5 -1.110 -1.791 -9.756 51 HH22 ARG 5 2HH2 ARG 5 -2.020 -2.857 -10.724 52 H VAL 6 HN VAL 6 -1.638 -0.687 -1.783 53 HA VAL 6 HA VAL 6 -3.068 -2.829 -0.373 54 HB VAL 6 HB VAL 6 -2.523 0.008 0.560 55 HG11 VAL 6 1HG1 VAL 6 -4.547 -0.937 1.528 56 HG12 VAL 6 2HG1 VAL 6 -3.288 -0.793 2.753 57 HG13 VAL 6 3HG1 VAL 6 -3.652 -2.367 2.046 58 HG21 VAL 6 1HG2 VAL 6 -1.190 -2.554 1.404 59 HG22 VAL 6 2HG2 VAL 6 -0.931 -0.968 2.133 60 HG23 VAL 6 3HG2 VAL 6 -0.455 -1.261 0.458 61 H CYS 7 HN CYS 7 -5.137 -2.925 -0.894 62 HA CYS 7 HA CYS 7 -6.422 -0.450 -1.726 63 HB2 CYS 7 2HB CYS 7 -7.128 -3.328 -2.331 64 HB3 CYS 7 1HB CYS 7 -8.199 -1.972 -2.670 65 H TYR 8 HN TYR 8 -7.335 0.450 -0.175 66 HA TYR 8 HA TYR 8 -8.475 -1.184 1.969 67 HB2 TYR 8 2HB TYR 8 -6.467 0.329 2.425 68 HB3 TYR 8 1HB TYR 8 -7.552 1.676 2.131 69 HD1 TYR 8 1HD TYR 8 -6.542 -0.924 4.419 70 HD2 TYR 8 2HD TYR 8 -9.405 2.135 3.730 71 HE1 TYR 8 1HE TYR 8 -7.177 -1.021 6.753 72 HE2 TYR 8 2HE TYR 8 -10.061 2.052 6.098 73 HH TYR 8 HH TYR 8 -8.211 0.424 8.432 74 H ARG 9 HN ARG 9 -10.517 -1.361 1.202 75 HA ARG 9 HA ARG 9 -12.674 -0.848 0.825 76 HB2 ARG 9 2HB ARG 9 -11.973 1.777 2.170 77 HB3 ARG 9 1HB ARG 9 -13.599 1.145 1.937 78 HG2 ARG 9 2HG ARG 9 -13.029 -0.782 3.368 79 HG3 ARG 9 1HG ARG 9 -11.434 -0.088 3.628 80 HD2 ARG 9 2HD ARG 9 -12.856 0.429 5.506 81 HD3 ARG 9 1HD ARG 9 -12.497 1.906 4.616 82 HE ARG 9 HE ARG 9 -14.885 0.799 3.661 83 HH11 ARG 9 1HH1 ARG 9 -13.640 2.467 6.518 84 HH12 ARG 9 2HH1 ARG 9 -15.137 3.156 6.939 85 HH21 ARG 9 1HH2 ARG 9 -16.944 1.714 4.258 86 HH22 ARG 9 2HH2 ARG 9 -17.079 2.698 5.639 87 H GLY 10 HN GLY 10 -10.836 -0.369 -1.227 88 HA2 GLY 10 2HA GLY 10 -11.381 0.292 -3.450 89 HA3 GLY 10 1HA GLY 10 -12.335 1.610 -2.786 90 H ILE 11 HN ILE 11 -10.000 2.116 -0.894 91 HA ILE 11 HA ILE 11 -8.666 3.997 -2.635 92 HB ILE 11 HB ILE 11 -8.092 3.403 0.288 93 HG12 ILE 11 2HG1 ILE 11 -10.441 4.077 0.078 94 HG13 ILE 11 1HG1 ILE 11 -9.506 5.346 0.855 95 HG21 ILE 11 1HG2 ILE 11 -7.113 5.656 0.341 96 HG22 ILE 11 2HG2 ILE 11 -7.436 5.826 -1.384 97 HG23 ILE 11 3HG2 ILE 11 -6.296 4.608 -0.819 98 HD11 ILE 11 1HD1 ILE 11 -10.416 5.305 -2.012 99 HD12 ILE 11 2HD1 ILE 11 -9.464 6.585 -1.252 100 HD13 ILE 11 3HD1 ILE 11 -11.107 6.261 -0.702 101 H CYS 12 HN CYS 12 -7.284 2.944 -3.975 102 HA CYS 12 HA CYS 12 -5.481 0.950 -2.826 103 HB2 CYS 12 2HB CYS 12 -6.094 1.601 -5.708 104 HB3 CYS 12 1HB CYS 12 -4.959 0.364 -5.174 105 H TYR 13 HN TYR 13 -3.499 1.407 -2.377 106 HA TYR 13 HA TYR 13 -2.087 3.478 -3.860 107 HB2 TYR 13 2HB TYR 13 -1.242 4.499 -1.758 108 HB3 TYR 13 1HB TYR 13 -2.977 4.677 -1.968 109 HD1 TYR 13 1HD TYR 13 -4.541 3.424 -0.523 110 HD2 TYR 13 2HD TYR 13 -0.330 3.225 0.118 111 HE1 TYR 13 1HE TYR 13 -4.920 2.558 1.740 112 HE2 TYR 13 2HE TYR 13 -0.713 2.366 2.358 113 HH TYR 13 HH TYR 13 -2.480 2.464 4.037 114 H ARG 14 HN ARG 14 0.291 3.476 -3.188 115 HA ARG 14 HA ARG 14 1.103 0.696 -2.802 116 HB2 ARG 14 2HB ARG 14 2.534 3.020 -4.116 117 HB3 ARG 14 1HB ARG 14 3.353 1.540 -3.676 118 HG2 ARG 14 2HG ARG 14 2.822 1.569 -6.045 119 HG3 ARG 14 1HG ARG 14 1.946 0.288 -5.228 120 HD2 ARG 14 2HD ARG 14 0.606 1.539 -6.913 121 HD3 ARG 14 1HD ARG 14 -0.092 1.532 -5.295 122 HE ARG 14 HE ARG 14 1.496 3.826 -5.629 123 HH11 ARG 14 1HH1 ARG 14 -1.589 2.512 -6.810 124 HH12 ARG 14 2HH1 ARG 14 -2.326 4.032 -6.974 125 HH21 ARG 14 1HH2 ARG 14 0.442 5.886 -5.795 126 HH22 ARG 14 2HH2 ARG 14 -1.157 6.003 -6.355 127 H LYS 15 HN LYS 15 1.666 0.262 -0.874 128 HA LYS 15 HA LYS 15 2.607 2.398 0.872 129 HB2 LYS 15 2HB LYS 15 0.671 1.040 1.578 130 HB3 LYS 15 1HB LYS 15 1.664 -0.398 1.482 131 HG2 LYS 15 2HG LYS 15 3.071 0.405 3.275 132 HG3 LYS 15 1HG LYS 15 2.154 1.913 3.344 133 HD2 LYS 15 2HD LYS 15 0.157 0.717 3.974 134 HD3 LYS 15 1HD LYS 15 0.985 -0.828 3.794 135 HE2 LYS 15 2HE LYS 15 2.526 -0.183 5.587 136 HE3 LYS 15 1HE LYS 15 1.674 1.348 5.762 137 HZ1 LYS 15 1HZ LYS 15 -0.319 0.120 6.390 138 HZ2 LYS 15 2HZ LYS 15 0.956 -0.248 7.422 139 HZ3 LYS 15 3HZ LYS 15 0.501 -1.347 6.234 140 H CYS 16 HN CYS 16 4.689 2.553 1.138 141 HA CYS 16 HA CYS 16 6.396 0.223 0.646 142 HB2 CYS 16 2HB CYS 16 7.159 3.139 0.958 143 HB3 CYS 16 1HB CYS 16 8.207 1.829 0.435 144 H ARG 17 HN ARG 17 7.831 -0.404 2.306 145 HA ARG 17 HA ARG 17 6.912 0.322 4.944 146 HB2 ARG 17 2HB ARG 17 9.224 -1.459 4.162 147 HB3 ARG 17 1HB ARG 17 8.547 -1.309 5.771 148 HG2 ARG 17 2HG ARG 17 6.416 -2.243 4.908 149 HG3 ARG 17 1HG ARG 17 7.202 -2.479 3.345 150 HD2 ARG 17 2HD ARG 17 8.027 -3.714 5.970 151 HD3 ARG 17 1HD ARG 17 7.257 -4.547 4.619 152 HE ARG 17 HE ARG 17 9.504 -3.433 3.561 153 HH11 ARG 17 1HH1 ARG 17 8.911 -5.670 6.226 154 HH12 ARG 17 2HH1 ARG 17 10.406 -6.467 6.102 155 HH21 ARG 17 1HH2 ARG 17 11.590 -4.491 3.381 156 HH22 ARG 17 2HH2 ARG 17 11.971 -5.786 4.404 157 HN1 NH2 18 1H ARG 17 7.443 2.431 5.202 158 HN2 NH2 18 2H ARG 17 9.066 3.020 5.295 Start of MODEL 10 1 H1 LYS 1 1HT LYS 1 14.001 -0.412 -1.085 2 H2 LYS 1 2HT LYS 1 12.654 -1.299 -0.546 3 H3 LYS 1 3HT LYS 1 12.431 0.167 -1.303 4 HA LYS 1 HA LYS 1 13.181 -0.599 -3.345 5 HB2 LYS 1 2HB LYS 1 13.779 -3.103 -1.804 6 HB3 LYS 1 1HB LYS 1 13.542 -3.153 -3.538 7 HG2 LYS 1 2HG LYS 1 15.607 -1.444 -2.153 8 HG3 LYS 1 1HG LYS 1 15.932 -3.034 -2.834 9 HD2 LYS 1 2HD LYS 1 14.948 -0.620 -4.365 10 HD3 LYS 1 1HD LYS 1 16.607 -1.209 -4.330 11 HE2 LYS 1 2HE LYS 1 15.902 -3.312 -5.364 12 HE3 LYS 1 1HE LYS 1 14.226 -2.764 -5.368 13 HZ1 LYS 1 1HZ LYS 1 14.878 -0.978 -6.862 14 HZ2 LYS 1 2HZ LYS 1 15.249 -2.493 -7.505 15 HZ3 LYS 1 3HZ LYS 1 16.471 -1.543 -6.864 16 H TRP 2 HN TRP 2 11.458 -3.035 -1.367 17 HA TRP 2 HA TRP 2 9.524 -3.354 -3.446 18 HB2 TRP 2 2HB TRP 2 9.711 -4.530 -0.671 19 HB3 TRP 2 1HB TRP 2 8.448 -4.930 -1.825 20 HD1 TRP 2 1HD TRP 2 9.119 -6.455 -3.903 21 HE1 TRP 2 1HE TRP 2 11.143 -7.988 -4.342 22 HE3 TRP 2 3HE TRP 2 12.241 -4.795 -0.199 23 HZ2 TRP 2 2HZ TRP 2 13.702 -8.442 -3.260 24 HZ3 TRP 2 3HZ TRP 2 14.449 -5.835 0.021 25 HH2 TRP 2 2HH TRP 2 15.159 -7.623 -1.477 26 H CYS 3 HN CYS 3 7.496 -2.667 -3.523 27 HA CYS 3 HA CYS 3 6.363 -1.258 -1.232 28 HB2 CYS 3 2HB CYS 3 6.240 -0.346 -4.125 29 HB3 CYS 3 1HB CYS 3 5.328 0.372 -2.809 30 H PHE 4 HN PHE 4 4.106 -1.538 -1.090 31 HA PHE 4 HA PHE 4 3.037 -3.490 -2.964 32 HB2 PHE 4 2HB PHE 4 1.731 -4.420 -1.012 33 HB3 PHE 4 1HB PHE 4 3.452 -4.795 -1.024 34 HD1 PHE 4 1HD PHE 4 4.961 -3.525 0.542 35 HD2 PHE 4 2HD PHE 4 0.722 -3.287 0.792 36 HE1 PHE 4 1HE PHE 4 5.155 -2.675 2.832 37 HE2 PHE 4 2HE PHE 4 0.910 -2.429 3.083 38 HZ PHE 4 HZ PHE 4 3.126 -2.122 4.111 39 H ARG 5 HN ARG 5 0.754 -3.500 -3.129 40 HA ARG 5 HA ARG 5 -0.256 -0.776 -2.947 41 HB2 ARG 5 2HB ARG 5 -0.289 -1.838 -5.145 42 HB3 ARG 5 1HB ARG 5 -1.251 -3.162 -4.511 43 HG2 ARG 5 2HG ARG 5 -3.089 -1.596 -4.063 44 HG3 ARG 5 1HG ARG 5 -2.118 -0.283 -4.738 45 HD2 ARG 5 2HD ARG 5 -3.694 -1.135 -6.396 46 HD3 ARG 5 1HD ARG 5 -2.033 -1.457 -6.884 47 HE ARG 5 HE ARG 5 -3.324 -3.602 -5.452 48 HH11 ARG 5 1HH1 ARG 5 -2.612 -2.269 -8.651 49 HH12 ARG 5 2HH1 ARG 5 -2.895 -3.739 -9.472 50 HH21 ARG 5 1HH2 ARG 5 -3.673 -5.575 -6.555 51 HH22 ARG 5 2HH2 ARG 5 -3.512 -5.678 -8.250 52 H VAL 6 HN VAL 6 -1.577 -0.320 -1.333 53 HA VAL 6 HA VAL 6 -2.959 -2.518 -0.001 54 HB VAL 6 HB VAL 6 -2.602 0.351 0.921 55 HG11 VAL 6 1HG1 VAL 6 -3.610 -2.064 2.437 56 HG12 VAL 6 2HG1 VAL 6 -4.602 -0.735 1.845 57 HG13 VAL 6 3HG1 VAL 6 -3.398 -0.442 3.095 58 HG21 VAL 6 1HG2 VAL 6 -0.990 -0.533 2.541 59 HG22 VAL 6 2HG2 VAL 6 -0.460 -0.799 0.878 60 HG23 VAL 6 3HG2 VAL 6 -1.143 -2.131 1.811 61 H CYS 7 HN CYS 7 -5.004 -2.748 -0.500 62 HA CYS 7 HA CYS 7 -6.436 -0.447 -1.564 63 HB2 CYS 7 2HB CYS 7 -6.911 -3.413 -1.919 64 HB3 CYS 7 1HB CYS 7 -8.010 -2.161 -2.492 65 H TYR 8 HN TYR 8 -7.510 0.493 -0.122 66 HA TYR 8 HA TYR 8 -8.682 -1.088 2.053 67 HB2 TYR 8 2HB TYR 8 -6.674 0.429 2.566 68 HB3 TYR 8 1HB TYR 8 -7.745 1.775 2.218 69 HD1 TYR 8 1HD TYR 8 -9.607 2.295 3.756 70 HD2 TYR 8 2HD TYR 8 -6.866 -0.841 4.558 71 HE1 TYR 8 1HE TYR 8 -10.347 2.240 6.088 72 HE2 TYR 8 2HE TYR 8 -7.593 -0.916 6.874 73 HH TYR 8 HH TYR 8 -10.402 0.593 7.954 74 H ARG 9 HN ARG 9 -10.762 -1.205 1.450 75 HA ARG 9 HA ARG 9 -12.899 -0.640 1.016 76 HB2 ARG 9 2HB ARG 9 -11.975 2.121 1.846 77 HB3 ARG 9 1HB ARG 9 -13.652 1.692 1.562 78 HG2 ARG 9 2HG ARG 9 -11.881 0.449 3.670 79 HG3 ARG 9 1HG ARG 9 -13.053 1.734 3.961 80 HD2 ARG 9 2HD ARG 9 -14.849 0.254 3.194 81 HD3 ARG 9 1HD ARG 9 -13.678 -1.033 2.925 82 HE ARG 9 HE ARG 9 -13.315 -0.348 5.522 83 HH11 ARG 9 1HH1 ARG 9 -16.182 -1.279 3.652 84 HH12 ARG 9 2HH1 ARG 9 -16.956 -2.078 4.938 85 HH21 ARG 9 1HH2 ARG 9 -14.373 -1.485 7.303 86 HH22 ARG 9 2HH2 ARG 9 -15.889 -2.224 7.048 87 H GLY 10 HN GLY 10 -10.986 -0.690 -1.077 88 HA2 GLY 10 2HA GLY 10 -11.464 -0.559 -3.385 89 HA3 GLY 10 1HA GLY 10 -12.522 0.807 -3.061 90 H ILE 11 HN ILE 11 -10.308 1.887 -1.311 91 HA ILE 11 HA ILE 11 -9.061 3.404 -3.435 92 HB ILE 11 HB ILE 11 -8.778 3.712 -0.435 93 HG12 ILE 11 2HG1 ILE 11 -11.122 4.000 -1.035 94 HG13 ILE 11 1HG1 ILE 11 -10.424 5.560 -0.630 95 HG21 ILE 11 1HG2 ILE 11 -6.970 4.766 -1.665 96 HG22 ILE 11 2HG2 ILE 11 -8.020 5.992 -0.953 97 HG23 ILE 11 3HG2 ILE 11 -8.132 5.628 -2.674 98 HD11 ILE 11 1HD1 ILE 11 -11.908 5.726 -2.533 99 HD12 ILE 11 2HD1 ILE 11 -10.968 4.519 -3.400 100 HD13 ILE 11 3HD1 ILE 11 -10.250 6.086 -3.019 101 H CYS 12 HN CYS 12 -7.335 2.568 -4.296 102 HA CYS 12 HA CYS 12 -5.558 0.913 -2.671 103 HB2 CYS 12 2HB CYS 12 -5.768 1.185 -5.661 104 HB3 CYS 12 1HB CYS 12 -4.666 0.107 -4.810 105 H TYR 13 HN TYR 13 -3.725 1.643 -2.039 106 HA TYR 13 HA TYR 13 -2.435 3.779 -3.544 107 HB2 TYR 13 2HB TYR 13 -1.724 4.806 -1.370 108 HB3 TYR 13 1HB TYR 13 -3.445 4.892 -1.714 109 HD1 TYR 13 1HD TYR 13 -5.049 3.880 -0.287 110 HD2 TYR 13 2HD TYR 13 -0.895 3.226 0.416 111 HE1 TYR 13 1HE TYR 13 -5.577 2.954 1.908 112 HE2 TYR 13 2HE TYR 13 -1.416 2.301 2.618 113 HH TYR 13 HH TYR 13 -3.202 2.437 4.272 114 H ARG 14 HN ARG 14 -0.137 3.902 -3.154 115 HA ARG 14 HA ARG 14 0.916 1.236 -2.720 116 HB2 ARG 14 2HB ARG 14 3.065 2.140 -3.566 117 HB3 ARG 14 1HB ARG 14 1.755 2.383 -4.709 118 HG2 ARG 14 2HG ARG 14 1.586 4.719 -4.061 119 HG3 ARG 14 1HG ARG 14 2.812 4.461 -2.818 120 HD2 ARG 14 2HD ARG 14 3.299 4.046 -5.760 121 HD3 ARG 14 1HD ARG 14 3.646 5.553 -4.918 122 HE ARG 14 HE ARG 14 4.910 3.548 -3.506 123 HH11 ARG 14 1HH1 ARG 14 5.151 4.978 -6.726 124 HH12 ARG 14 2HH1 ARG 14 6.798 4.623 -6.934 125 HH21 ARG 14 1HH2 ARG 14 7.188 3.056 -3.786 126 HH22 ARG 14 2HH2 ARG 14 7.974 3.473 -5.238 127 H LYS 15 HN LYS 15 2.070 0.664 -1.030 128 HA LYS 15 HA LYS 15 2.920 2.779 0.784 129 HB2 LYS 15 2HB LYS 15 0.958 1.563 1.713 130 HB3 LYS 15 1HB LYS 15 1.850 0.055 1.573 131 HG2 LYS 15 2HG LYS 15 3.497 0.863 3.174 132 HG3 LYS 15 1HG LYS 15 2.639 2.398 3.292 133 HD2 LYS 15 2HD LYS 15 0.689 1.261 4.193 134 HD3 LYS 15 1HD LYS 15 1.494 -0.298 4.023 135 HE2 LYS 15 2HE LYS 15 3.259 0.491 5.575 136 HE3 LYS 15 1HE LYS 15 2.373 1.996 5.781 137 HZ1 LYS 15 1HZ LYS 15 0.517 0.720 6.695 138 HZ2 LYS 15 2HZ LYS 15 1.929 0.505 7.585 139 HZ3 LYS 15 3HZ LYS 15 1.407 -0.711 6.544 140 H CYS 16 HN CYS 16 4.991 2.727 1.170 141 HA CYS 16 HA CYS 16 6.492 0.331 0.414 142 HB2 CYS 16 2HB CYS 16 7.390 3.221 0.497 143 HB3 CYS 16 1HB CYS 16 8.347 1.846 -0.043 144 H ARG 17 HN ARG 17 7.614 -0.610 2.024 145 HA ARG 17 HA ARG 17 8.594 -1.030 3.975 146 HB2 ARG 17 2HB ARG 17 8.535 1.971 4.414 147 HB3 ARG 17 1HB ARG 17 9.333 0.828 5.477 148 HG2 ARG 17 2HG ARG 17 10.888 0.230 3.733 149 HG3 ARG 17 1HG ARG 17 10.027 1.255 2.582 150 HD2 ARG 17 2HD ARG 17 12.044 2.339 3.435 151 HD3 ARG 17 1HD ARG 17 10.591 3.222 3.891 152 HE ARG 17 HE ARG 17 11.003 1.686 6.045 153 HH11 ARG 17 1HH1 ARG 17 13.181 3.788 4.215 154 HH12 ARG 17 2HH1 ARG 17 14.178 4.154 5.539 155 HH21 ARG 17 1HH2 ARG 17 12.374 2.220 7.903 156 HH22 ARG 17 2HH2 ARG 17 13.702 3.271 7.669 157 HN1 NH2 18 1H ARG 17 6.774 -2.149 4.542 158 HN2 NH2 18 2H ARG 17 5.639 -1.539 5.702 Start of MODEL 11 1 H1 LYS 1 1HT LYS 1 13.989 -2.274 -3.217 2 H2 LYS 1 2HT LYS 1 13.817 -3.650 -2.271 3 H3 LYS 1 3HT LYS 1 14.904 -2.451 -1.796 4 HA LYS 1 HA LYS 1 12.850 -2.441 -0.525 5 HB2 LYS 1 2HB LYS 1 13.224 -0.070 -2.375 6 HB3 LYS 1 1HB LYS 1 12.214 -0.045 -0.940 7 HG2 LYS 1 2HG LYS 1 15.202 -0.473 -0.996 8 HG3 LYS 1 1HG LYS 1 14.367 1.003 -0.516 9 HD2 LYS 1 2HD LYS 1 13.294 -0.181 1.331 10 HD3 LYS 1 1HD LYS 1 14.087 -1.673 0.844 11 HE2 LYS 1 2HE LYS 1 16.267 -0.673 1.285 12 HE3 LYS 1 1HE LYS 1 15.480 0.836 1.749 13 HZ1 LYS 1 1HZ LYS 1 14.432 -0.313 3.594 14 HZ2 LYS 1 2HZ LYS 1 16.102 -0.528 3.670 15 HZ3 LYS 1 3HZ LYS 1 15.113 -1.770 3.119 16 H TRP 2 HN TRP 2 10.691 -2.671 -0.472 17 HA TRP 2 HA TRP 2 9.483 -3.054 -3.103 18 HB2 TRP 2 2HB TRP 2 8.828 -4.368 -0.475 19 HB3 TRP 2 1HB TRP 2 7.858 -4.526 -1.930 20 HD1 TRP 2 1HD TRP 2 10.815 -5.978 -0.198 21 HE1 TRP 2 1HE TRP 2 11.873 -7.825 -1.657 22 HE3 TRP 2 3HE TRP 2 8.350 -5.055 -4.574 23 HZ2 TRP 2 2HZ TRP 2 11.688 -8.749 -4.318 24 HZ3 TRP 2 3HZ TRP 2 8.849 -6.460 -6.526 25 HH2 TRP 2 2HH TRP 2 10.484 -8.265 -6.397 26 H CYS 3 HN CYS 3 7.516 -2.261 -3.549 27 HA CYS 3 HA CYS 3 6.147 -0.750 -1.483 28 HB2 CYS 3 2HB CYS 3 6.484 0.020 -4.403 29 HB3 CYS 3 1HB CYS 3 5.432 0.844 -3.262 30 H PHE 4 HN PHE 4 4.083 -1.316 -1.321 31 HA PHE 4 HA PHE 4 3.047 -3.201 -3.307 32 HB2 PHE 4 2HB PHE 4 1.881 -4.268 -1.327 33 HB3 PHE 4 1HB PHE 4 3.607 -4.607 -1.516 34 HD1 PHE 4 1HD PHE 4 5.222 -3.386 0.005 35 HD2 PHE 4 2HD PHE 4 1.014 -3.287 0.612 36 HE1 PHE 4 1HE PHE 4 5.585 -2.648 2.303 37 HE2 PHE 4 2HE PHE 4 1.369 -2.540 2.927 38 HZ PHE 4 HZ PHE 4 3.653 -2.216 3.779 39 H ARG 5 HN ARG 5 0.898 -3.182 -3.713 40 HA ARG 5 HA ARG 5 -0.407 -0.683 -3.098 41 HB2 ARG 5 2HB ARG 5 -0.444 -1.551 -5.423 42 HB3 ARG 5 1HB ARG 5 -1.384 -2.929 -4.868 43 HG2 ARG 5 2HG ARG 5 -3.129 -1.332 -4.077 44 HG3 ARG 5 1HG ARG 5 -2.216 -0.039 -4.844 45 HD2 ARG 5 2HD ARG 5 -3.943 -0.681 -6.369 46 HD3 ARG 5 1HD ARG 5 -2.430 -1.324 -7.000 47 HE ARG 5 HE ARG 5 -3.365 -3.375 -5.564 48 HH11 ARG 5 1HH1 ARG 5 -4.937 -1.362 -8.015 49 HH12 ARG 5 2HH1 ARG 5 -5.974 -2.575 -8.574 50 HH21 ARG 5 1HH2 ARG 5 -4.808 -5.049 -6.302 51 HH22 ARG 5 2HH2 ARG 5 -5.881 -4.737 -7.584 52 H VAL 6 HN VAL 6 -1.753 -0.482 -1.481 53 HA VAL 6 HA VAL 6 -3.098 -2.868 -0.455 54 HB VAL 6 HB VAL 6 -2.708 -0.208 0.948 55 HG11 VAL 6 1HG1 VAL 6 -4.613 -1.482 1.745 56 HG12 VAL 6 2HG1 VAL 6 -3.345 -1.436 2.968 57 HG13 VAL 6 3HG1 VAL 6 -3.585 -2.892 2.003 58 HG21 VAL 6 1HG2 VAL 6 -0.990 -1.298 2.322 59 HG22 VAL 6 2HG2 VAL 6 -0.523 -1.228 0.621 60 HG23 VAL 6 3HG2 VAL 6 -1.112 -2.739 1.312 61 H CYS 7 HN CYS 7 -5.207 -2.886 -0.803 62 HA CYS 7 HA CYS 7 -6.498 -0.378 -1.547 63 HB2 CYS 7 2HB CYS 7 -7.279 -3.222 -2.226 64 HB3 CYS 7 1HB CYS 7 -8.218 -1.792 -2.640 65 H TYR 8 HN TYR 8 -7.707 0.443 -0.110 66 HA TYR 8 HA TYR 8 -8.861 -1.334 1.911 67 HB2 TYR 8 2HB TYR 8 -6.896 0.287 2.515 68 HB3 TYR 8 1HB TYR 8 -8.146 1.525 2.437 69 HD1 TYR 8 1HD TYR 8 -9.750 1.750 4.227 70 HD2 TYR 8 2HD TYR 8 -7.033 -1.517 4.163 71 HE1 TYR 8 1HE TYR 8 -10.351 1.205 6.537 72 HE2 TYR 8 2HE TYR 8 -7.620 -2.074 6.454 73 HH TYR 8 HH TYR 8 -10.313 -0.714 8.037 74 H ARG 9 HN ARG 9 -10.847 -1.494 1.084 75 HA ARG 9 HA ARG 9 -13.014 -1.045 0.705 76 HB2 ARG 9 2HB ARG 9 -12.374 1.643 1.946 77 HB3 ARG 9 1HB ARG 9 -14.000 1.092 1.570 78 HG2 ARG 9 2HG ARG 9 -13.708 -0.787 3.123 79 HG3 ARG 9 1HG ARG 9 -12.090 -0.203 3.502 80 HD2 ARG 9 2HD ARG 9 -14.675 1.269 3.991 81 HD3 ARG 9 1HD ARG 9 -13.695 0.463 5.211 82 HE ARG 9 HE ARG 9 -12.724 2.747 3.626 83 HH11 ARG 9 1HH1 ARG 9 -13.048 1.104 6.768 84 HH12 ARG 9 2HH1 ARG 9 -12.259 2.337 7.633 85 HH21 ARG 9 1HH2 ARG 9 -11.633 4.431 4.848 86 HH22 ARG 9 2HH2 ARG 9 -11.448 4.240 6.531 87 H GLY 10 HN GLY 10 -11.108 -0.665 -1.299 88 HA2 GLY 10 2HA GLY 10 -11.654 -0.275 -3.579 89 HA3 GLY 10 1HA GLY 10 -12.699 1.045 -3.074 90 H ILE 11 HN ILE 11 -10.544 1.949 -1.207 91 HA ILE 11 HA ILE 11 -9.236 3.666 -3.120 92 HB ILE 11 HB ILE 11 -8.983 3.563 -0.095 93 HG12 ILE 11 2HG1 ILE 11 -11.260 4.138 -0.765 94 HG13 ILE 11 1HG1 ILE 11 -10.458 5.540 -0.069 95 HG21 ILE 11 1HG2 ILE 11 -8.069 5.698 -2.025 96 HG22 ILE 11 2HG2 ILE 11 -7.030 4.606 -1.113 97 HG23 ILE 11 3HG2 ILE 11 -8.002 5.812 -0.266 98 HD11 ILE 11 1HD1 ILE 11 -10.077 6.414 -2.337 99 HD12 ILE 11 2HD1 ILE 11 -11.788 6.176 -1.984 100 HD13 ILE 11 3HD1 ILE 11 -10.932 5.020 -3.002 101 H CYS 12 HN CYS 12 -7.567 2.835 -4.135 102 HA CYS 12 HA CYS 12 -5.805 1.007 -2.709 103 HB2 CYS 12 2HB CYS 12 -6.050 1.587 -5.666 104 HB3 CYS 12 1HB CYS 12 -4.922 0.449 -4.941 105 H TYR 13 HN TYR 13 -3.852 1.516 -2.191 106 HA TYR 13 HA TYR 13 -2.549 3.824 -3.351 107 HB2 TYR 13 2HB TYR 13 -1.958 4.651 -1.068 108 HB3 TYR 13 1HB TYR 13 -3.682 4.724 -1.413 109 HD1 TYR 13 1HD TYR 13 -5.268 3.399 -0.157 110 HD2 TYR 13 2HD TYR 13 -1.091 3.017 0.564 111 HE1 TYR 13 1HE TYR 13 -5.743 2.179 1.910 112 HE2 TYR 13 2HE TYR 13 -1.547 1.788 2.608 113 HH TYR 13 HH TYR 13 -3.496 1.710 4.271 114 H ARG 14 HN ARG 14 -0.188 3.784 -2.571 115 HA ARG 14 HA ARG 14 0.525 0.979 -2.133 116 HB2 ARG 14 2HB ARG 14 2.082 3.037 -3.702 117 HB3 ARG 14 1HB ARG 14 2.633 1.402 -3.360 118 HG2 ARG 14 2HG ARG 14 0.704 0.529 -4.619 119 HG3 ARG 14 1HG ARG 14 0.246 2.188 -5.022 120 HD2 ARG 14 2HD ARG 14 1.454 1.306 -6.872 121 HD3 ARG 14 1HD ARG 14 2.514 2.449 -6.049 122 HE ARG 14 HE ARG 14 2.739 -0.368 -5.364 123 HH11 ARG 14 1HH1 ARG 14 4.150 2.428 -7.015 124 HH12 ARG 14 2HH1 ARG 14 5.640 1.656 -7.330 125 HH21 ARG 14 1HH2 ARG 14 4.816 -1.425 -5.810 126 HH22 ARG 14 2HH2 ARG 14 6.011 -0.551 -6.654 127 H LYS 15 HN LYS 15 2.103 0.483 -0.741 128 HA LYS 15 HA LYS 15 3.086 2.679 0.904 129 HB2 LYS 15 2HB LYS 15 2.133 -0.028 1.678 130 HB3 LYS 15 1HB LYS 15 3.359 0.772 2.649 131 HG2 LYS 15 2HG LYS 15 1.851 2.695 2.886 132 HG3 LYS 15 1HG LYS 15 0.609 1.785 2.022 133 HD2 LYS 15 2HD LYS 15 0.510 0.144 3.729 134 HD3 LYS 15 1HD LYS 15 1.970 0.765 4.504 135 HE2 LYS 15 2HE LYS 15 -0.573 2.298 4.176 136 HE3 LYS 15 1HE LYS 15 -0.152 1.422 5.654 137 HZ1 LYS 15 1HZ LYS 15 1.296 3.729 4.438 138 HZ2 LYS 15 2HZ LYS 15 1.829 2.906 5.801 139 HZ3 LYS 15 3HZ LYS 15 0.373 3.752 5.850 140 H CYS 16 HN CYS 16 5.212 2.681 1.399 141 HA CYS 16 HA CYS 16 6.889 0.458 0.470 142 HB2 CYS 16 2HB CYS 16 7.646 3.405 0.490 143 HB3 CYS 16 1HB CYS 16 8.593 2.079 -0.168 144 H ARG 17 HN ARG 17 7.890 -0.413 2.259 145 HA ARG 17 HA ARG 17 7.681 1.054 4.752 146 HB2 ARG 17 2HB ARG 17 8.711 -1.736 4.207 147 HB3 ARG 17 1HB ARG 17 8.582 -1.010 5.796 148 HG2 ARG 17 2HG ARG 17 6.173 -0.873 5.571 149 HG3 ARG 17 1HG ARG 17 6.274 -1.543 3.943 150 HD2 ARG 17 2HD ARG 17 7.248 -3.593 4.843 151 HD3 ARG 17 1HD ARG 17 7.180 -2.918 6.469 152 HE ARG 17 HE ARG 17 4.623 -2.768 5.659 153 HH11 ARG 17 1HH1 ARG 17 6.936 -5.455 5.688 154 HH12 ARG 17 2HH1 ARG 17 5.755 -6.657 5.885 155 HH21 ARG 17 1HH2 ARG 17 2.999 -4.427 5.963 156 HH22 ARG 17 2HH2 ARG 17 3.470 -6.054 6.057 157 HN1 NH2 18 1H ARG 17 9.142 2.696 4.220 158 HN2 NH2 18 2H ARG 17 10.848 2.460 4.375 Start of MODEL 12 1 H1 LYS 1 1HT LYS 1 12.754 0.950 -3.391 2 H2 LYS 1 2HT LYS 1 13.562 -0.501 -3.473 3 H3 LYS 1 3HT LYS 1 14.131 0.711 -2.443 4 HA LYS 1 HA LYS 1 13.048 -1.042 -1.217 5 HB2 LYS 1 2HB LYS 1 11.408 0.322 0.012 6 HB3 LYS 1 1HB LYS 1 12.873 1.229 -0.302 7 HG2 LYS 1 2HG LYS 1 11.708 2.339 -2.203 8 HG3 LYS 1 1HG LYS 1 10.250 1.457 -1.769 9 HD2 LYS 1 2HD LYS 1 10.118 3.672 -0.842 10 HD3 LYS 1 1HD LYS 1 10.325 2.514 0.465 11 HE2 LYS 1 2HE LYS 1 11.701 4.505 0.815 12 HE3 LYS 1 1HE LYS 1 12.700 3.073 0.622 13 HZ1 LYS 1 1HZ LYS 1 13.220 3.755 -1.624 14 HZ2 LYS 1 2HZ LYS 1 13.517 5.043 -0.575 15 HZ3 LYS 1 3HZ LYS 1 12.138 5.049 -1.520 16 H TRP 2 HN TRP 2 11.014 -2.071 -0.676 17 HA TRP 2 HA TRP 2 9.512 -2.637 -3.087 18 HB2 TRP 2 2HB TRP 2 9.740 -4.088 -0.449 19 HB3 TRP 2 1HB TRP 2 8.641 -4.563 -1.739 20 HD1 TRP 2 1HD TRP 2 12.426 -4.299 -1.027 21 HE1 TRP 2 1HE TRP 2 13.634 -5.948 -2.599 22 HE3 TRP 2 3HE TRP 2 8.443 -5.841 -3.817 23 HZ2 TRP 2 2HZ TRP 2 12.982 -7.669 -4.717 24 HZ3 TRP 2 3HZ TRP 2 8.823 -7.500 -5.598 25 HH2 TRP 2 2HH TRP 2 11.054 -8.390 -6.030 26 H CYS 3 HN CYS 3 7.337 -2.430 -3.197 27 HA CYS 3 HA CYS 3 5.988 -1.116 -0.961 28 HB2 CYS 3 2HB CYS 3 5.768 -0.224 -3.840 29 HB3 CYS 3 1HB CYS 3 5.034 0.535 -2.436 30 H PHE 4 HN PHE 4 4.046 -1.982 -0.618 31 HA PHE 4 HA PHE 4 3.043 -3.815 -2.644 32 HB2 PHE 4 2HB PHE 4 1.689 -4.759 -0.743 33 HB3 PHE 4 1HB PHE 4 3.418 -5.120 -0.717 34 HD1 PHE 4 1HD PHE 4 4.862 -3.846 0.932 35 HD2 PHE 4 2HD PHE 4 0.616 -3.651 1.022 36 HE1 PHE 4 1HE PHE 4 4.957 -3.010 3.233 37 HE2 PHE 4 2HE PHE 4 0.706 -2.805 3.322 38 HZ PHE 4 HZ PHE 4 2.887 -2.480 4.433 39 H ARG 5 HN ARG 5 0.844 -3.893 -3.122 40 HA ARG 5 HA ARG 5 -0.295 -1.259 -2.994 41 HB2 ARG 5 2HB ARG 5 -0.266 -2.225 -5.187 42 HB3 ARG 5 1HB ARG 5 -1.035 -3.696 -4.611 43 HG2 ARG 5 2HG ARG 5 -3.088 -2.443 -4.145 44 HG3 ARG 5 1HG ARG 5 -2.317 -0.969 -4.724 45 HD2 ARG 5 2HD ARG 5 -2.092 -1.890 -6.925 46 HD3 ARG 5 1HD ARG 5 -2.684 -3.453 -6.374 47 HE ARG 5 HE ARG 5 -4.777 -2.111 -5.797 48 HH11 ARG 5 1HH1 ARG 5 -2.714 -1.373 -8.576 49 HH12 ARG 5 2HH1 ARG 5 -4.007 -0.903 -9.582 50 HH21 ARG 5 1HH2 ARG 5 -6.575 -1.369 -7.219 51 HH22 ARG 5 2HH2 ARG 5 -6.187 -0.896 -8.796 52 H VAL 6 HN VAL 6 -1.722 -0.730 -1.575 53 HA VAL 6 HA VAL 6 -3.210 -2.859 -0.244 54 HB VAL 6 HB VAL 6 -2.703 -0.048 0.741 55 HG11 VAL 6 1HG1 VAL 6 -3.514 -0.869 2.873 56 HG12 VAL 6 2HG1 VAL 6 -3.830 -2.453 2.172 57 HG13 VAL 6 3HG1 VAL 6 -4.744 -1.046 1.625 58 HG21 VAL 6 1HG2 VAL 6 -1.132 -1.037 2.342 59 HG22 VAL 6 2HG2 VAL 6 -0.605 -1.277 0.675 60 HG23 VAL 6 3HG2 VAL 6 -1.342 -2.606 1.565 61 H CYS 7 HN CYS 7 -5.292 -2.889 -0.722 62 HA CYS 7 HA CYS 7 -6.492 -0.425 -1.704 63 HB2 CYS 7 2HB CYS 7 -7.279 -3.308 -2.223 64 HB3 CYS 7 1HB CYS 7 -8.247 -1.916 -2.711 65 H TYR 8 HN TYR 8 -7.480 0.576 -0.238 66 HA TYR 8 HA TYR 8 -8.675 -0.918 1.988 67 HB2 TYR 8 2HB TYR 8 -6.628 0.550 2.392 68 HB3 TYR 8 1HB TYR 8 -7.651 1.922 2.003 69 HD1 TYR 8 1HD TYR 8 -6.903 -0.691 4.426 70 HD2 TYR 8 2HD TYR 8 -9.362 2.673 3.588 71 HE1 TYR 8 1HE TYR 8 -7.557 -0.618 6.759 72 HE2 TYR 8 2HE TYR 8 -10.043 2.768 5.939 73 HH TYR 8 HH TYR 8 -10.189 1.228 7.837 74 H ARG 9 HN ARG 9 -10.758 -1.036 1.411 75 HA ARG 9 HA ARG 9 -12.927 -0.474 1.037 76 HB2 ARG 9 2HB ARG 9 -12.035 2.295 1.864 77 HB3 ARG 9 1HB ARG 9 -13.707 1.797 1.685 78 HG2 ARG 9 2HG ARG 9 -11.731 0.730 3.697 79 HG3 ARG 9 1HG ARG 9 -13.048 1.855 4.023 80 HD2 ARG 9 2HD ARG 9 -14.650 0.109 3.280 81 HD3 ARG 9 1HD ARG 9 -13.292 -1.002 3.102 82 HE ARG 9 HE ARG 9 -13.524 0.250 5.669 83 HH11 ARG 9 1HH1 ARG 9 -14.333 -2.624 3.775 84 HH12 ARG 9 2HH1 ARG 9 -14.755 -3.579 5.111 85 HH21 ARG 9 1HH2 ARG 9 -14.055 -1.061 7.524 86 HH22 ARG 9 2HH2 ARG 9 -14.581 -2.663 7.306 87 H GLY 10 HN GLY 10 -10.984 -0.295 -1.136 88 HA2 GLY 10 2HA GLY 10 -11.583 -0.046 -3.423 89 HA3 GLY 10 1HA GLY 10 -12.640 1.283 -2.970 90 H ILE 11 HN ILE 11 -10.083 2.028 -1.225 91 HA ILE 11 HA ILE 11 -8.905 3.684 -3.314 92 HB ILE 11 HB ILE 11 -8.564 3.772 -0.300 93 HG12 ILE 11 2HG1 ILE 11 -10.865 4.297 -0.952 94 HG13 ILE 11 1HG1 ILE 11 -10.048 5.726 -0.341 95 HG21 ILE 11 1HG2 ILE 11 -7.711 5.760 -2.405 96 HG22 ILE 11 2HG2 ILE 11 -6.647 4.727 -1.453 97 HG23 ILE 11 3HG2 ILE 11 -7.583 5.996 -0.661 98 HD11 ILE 11 1HD1 ILE 11 -10.584 5.071 -3.239 99 HD12 ILE 11 2HD1 ILE 11 -9.741 6.508 -2.655 100 HD13 ILE 11 3HD1 ILE 11 -11.441 6.261 -2.259 101 H CYS 12 HN CYS 12 -7.201 2.797 -4.292 102 HA CYS 12 HA CYS 12 -5.531 0.930 -2.792 103 HB2 CYS 12 2HB CYS 12 -5.750 1.377 -5.764 104 HB3 CYS 12 1HB CYS 12 -4.733 0.176 -4.981 105 H TYR 13 HN TYR 13 -3.650 1.496 -2.142 106 HA TYR 13 HA TYR 13 -2.154 3.553 -3.577 107 HB2 TYR 13 2HB TYR 13 -1.362 4.441 -1.379 108 HB3 TYR 13 1HB TYR 13 -3.091 4.642 -1.630 109 HD1 TYR 13 1HD TYR 13 -4.704 3.419 -0.251 110 HD2 TYR 13 2HD TYR 13 -0.515 2.954 0.375 111 HE1 TYR 13 1HE TYR 13 -5.150 2.399 1.927 112 HE2 TYR 13 2HE TYR 13 -0.958 1.926 2.559 113 HH TYR 13 HH TYR 13 -2.749 1.945 4.258 114 H ARG 14 HN ARG 14 0.230 3.385 -2.980 115 HA ARG 14 HA ARG 14 0.824 0.572 -2.446 116 HB2 ARG 14 2HB ARG 14 2.476 2.519 -4.069 117 HB3 ARG 14 1HB ARG 14 2.913 0.858 -3.713 118 HG2 ARG 14 2HG ARG 14 0.922 0.087 -4.953 119 HG3 ARG 14 1HG ARG 14 0.565 1.763 -5.368 120 HD2 ARG 14 2HD ARG 14 3.038 0.211 -6.117 121 HD3 ARG 14 1HD ARG 14 1.726 0.673 -7.199 122 HE ARG 14 HE ARG 14 2.705 2.977 -6.007 123 HH11 ARG 14 1HH1 ARG 14 3.705 0.564 -8.382 124 HH12 ARG 14 2HH1 ARG 14 4.918 1.521 -9.083 125 HH21 ARG 14 1HH2 ARG 14 4.372 4.332 -6.951 126 HH22 ARG 14 2HH2 ARG 14 5.306 3.733 -8.242 127 H LYS 15 HN LYS 15 1.540 0.271 -0.569 128 HA LYS 15 HA LYS 15 2.680 2.464 0.951 129 HB2 LYS 15 2HB LYS 15 0.810 1.070 1.833 130 HB3 LYS 15 1HB LYS 15 1.865 -0.325 1.776 131 HG2 LYS 15 2HG LYS 15 3.296 0.631 3.452 132 HG3 LYS 15 1HG LYS 15 2.347 2.126 3.455 133 HD2 LYS 15 2HD LYS 15 0.375 0.840 4.181 134 HD3 LYS 15 1HD LYS 15 1.357 -0.621 4.224 135 HE2 LYS 15 2HE LYS 15 2.766 0.351 5.943 136 HE3 LYS 15 1HE LYS 15 1.852 1.856 5.876 137 HZ1 LYS 15 1HZ LYS 15 1.124 0.531 7.719 138 HZ2 LYS 15 2HZ LYS 15 0.877 -0.795 6.746 139 HZ3 LYS 15 3HZ LYS 15 -0.127 0.564 6.589 140 H CYS 16 HN CYS 16 4.814 2.627 1.108 141 HA CYS 16 HA CYS 16 6.458 0.372 0.259 142 HB2 CYS 16 2HB CYS 16 7.152 3.280 0.681 143 HB3 CYS 16 1HB CYS 16 8.250 2.044 0.081 144 H ARG 17 HN ARG 17 7.677 -0.708 1.615 145 HA ARG 17 HA ARG 17 7.514 0.069 4.405 146 HB2 ARG 17 2HB ARG 17 8.251 -2.259 4.902 147 HB3 ARG 17 1HB ARG 17 6.738 -2.152 4.028 148 HG2 ARG 17 2HG ARG 17 7.952 -2.727 1.947 149 HG3 ARG 17 1HG ARG 17 9.428 -2.912 2.900 150 HD2 ARG 17 2HD ARG 17 8.293 -4.626 4.262 151 HD3 ARG 17 1HD ARG 17 6.871 -4.469 3.240 152 HE ARG 17 HE ARG 17 9.289 -5.091 1.817 153 HH11 ARG 17 1HH1 ARG 17 6.513 -6.493 3.546 154 HH12 ARG 17 2HH1 ARG 17 6.634 -7.998 2.771 155 HH21 ARG 17 1HH2 ARG 17 9.453 -7.155 0.793 156 HH22 ARG 17 2HH2 ARG 17 8.336 -8.388 1.168 157 HN1 NH2 18 1H ARG 17 9.018 1.352 5.051 158 HN2 NH2 18 2H ARG 17 10.704 1.209 4.722 Start of MODEL 13 1 H1 LYS 1 1HT LYS 1 12.961 -1.197 -0.879 2 H2 LYS 1 2HT LYS 1 12.201 0.285 -1.138 3 H3 LYS 1 3HT LYS 1 13.793 0.085 -1.612 4 HA LYS 1 HA LYS 1 12.444 0.043 -3.526 5 HB2 LYS 1 2HB LYS 1 13.270 -2.768 -2.822 6 HB3 LYS 1 1HB LYS 1 12.884 -2.188 -4.425 7 HG2 LYS 1 2HG LYS 1 14.840 -0.600 -4.171 8 HG3 LYS 1 1HG LYS 1 15.260 -1.527 -2.726 9 HD2 LYS 1 2HD LYS 1 15.359 -3.573 -4.020 10 HD3 LYS 1 1HD LYS 1 14.870 -2.696 -5.470 11 HE2 LYS 1 2HE LYS 1 16.930 -1.305 -5.195 12 HE3 LYS 1 1HE LYS 1 17.426 -2.410 -3.917 13 HZ1 LYS 1 1HZ LYS 1 17.407 -4.229 -5.530 14 HZ2 LYS 1 2HZ LYS 1 18.406 -2.980 -6.061 15 HZ3 LYS 1 3HZ LYS 1 16.866 -3.171 -6.723 16 H TRP 2 HN TRP 2 11.204 -2.112 -0.981 17 HA TRP 2 HA TRP 2 9.246 -3.088 -2.805 18 HB2 TRP 2 2HB TRP 2 9.706 -3.777 0.090 19 HB3 TRP 2 1HB TRP 2 8.550 -4.569 -0.978 20 HD1 TRP 2 1HD TRP 2 12.064 -4.746 0.123 21 HE1 TRP 2 1HE TRP 2 13.376 -6.475 -1.298 22 HE3 TRP 2 3HE TRP 2 8.704 -5.480 -3.645 23 HZ2 TRP 2 2HZ TRP 2 13.038 -7.926 -3.660 24 HZ3 TRP 2 3HZ TRP 2 9.282 -7.049 -5.449 25 HH2 TRP 2 2HH TRP 2 11.403 -8.241 -5.452 26 H CYS 3 HN CYS 3 7.579 -1.963 -3.226 27 HA CYS 3 HA CYS 3 6.165 -0.651 -1.032 28 HB2 CYS 3 2HB CYS 3 6.248 0.137 -3.948 29 HB3 CYS 3 1HB CYS 3 5.312 0.945 -2.695 30 H PHE 4 HN PHE 4 4.163 -1.326 -0.733 31 HA PHE 4 HA PHE 4 3.231 -3.289 -2.660 32 HB2 PHE 4 2HB PHE 4 1.941 -4.232 -0.686 33 HB3 PHE 4 1HB PHE 4 3.677 -4.532 -0.728 34 HD1 PHE 4 1HD PHE 4 0.921 -2.937 1.037 35 HD2 PHE 4 2HD PHE 4 5.148 -3.350 0.864 36 HE1 PHE 4 1HE PHE 4 1.102 -2.013 3.306 37 HE2 PHE 4 2HE PHE 4 5.343 -2.433 3.119 38 HZ PHE 4 HZ PHE 4 3.315 -1.753 4.360 39 H ARG 5 HN ARG 5 1.036 -3.562 -2.920 40 HA ARG 5 HA ARG 5 -0.355 -1.036 -3.024 41 HB2 ARG 5 2HB ARG 5 -0.324 -2.280 -5.064 42 HB3 ARG 5 1HB ARG 5 -0.818 -3.750 -4.246 43 HG2 ARG 5 2HG ARG 5 -3.029 -2.739 -3.825 44 HG3 ARG 5 1HG ARG 5 -2.514 -1.306 -4.718 45 HD2 ARG 5 2HD ARG 5 -2.252 -2.556 -6.725 46 HD3 ARG 5 1HD ARG 5 -2.495 -4.086 -5.886 47 HE ARG 5 HE ARG 5 -4.775 -2.669 -5.432 48 HH11 ARG 5 1HH1 ARG 5 -3.080 -3.758 -8.328 49 HH12 ARG 5 2HH1 ARG 5 -4.477 -3.906 -9.288 50 HH21 ARG 5 1HH2 ARG 5 -6.716 -2.873 -6.739 51 HH22 ARG 5 2HH2 ARG 5 -6.586 -3.388 -8.353 52 H VAL 6 HN VAL 6 -1.697 -0.517 -1.450 53 HA VAL 6 HA VAL 6 -2.996 -2.669 0.069 54 HB VAL 6 HB VAL 6 -2.634 0.242 0.868 55 HG11 VAL 6 1HG1 VAL 6 -3.382 -0.475 3.094 56 HG12 VAL 6 2HG1 VAL 6 -3.598 -2.112 2.500 57 HG13 VAL 6 3HG1 VAL 6 -4.607 -0.811 1.877 58 HG21 VAL 6 1HG2 VAL 6 -1.130 -2.178 1.850 59 HG22 VAL 6 2HG2 VAL 6 -0.988 -0.544 2.500 60 HG23 VAL 6 3HG2 VAL 6 -0.477 -0.884 0.846 61 H CYS 7 HN CYS 7 -5.106 -2.862 -0.361 62 HA CYS 7 HA CYS 7 -6.413 -0.543 -1.559 63 HB2 CYS 7 2HB CYS 7 -7.159 -3.474 -1.702 64 HB3 CYS 7 1HB CYS 7 -8.089 -2.156 -2.412 65 H TYR 8 HN TYR 8 -7.378 0.567 -0.183 66 HA TYR 8 HA TYR 8 -8.621 -0.731 2.138 67 HB2 TYR 8 2HB TYR 8 -6.588 0.800 2.436 68 HB3 TYR 8 1HB TYR 8 -7.643 2.105 1.921 69 HD1 TYR 8 1HD TYR 8 -6.985 -0.353 4.544 70 HD2 TYR 8 2HD TYR 8 -9.261 3.057 3.453 71 HE1 TYR 8 1HE TYR 8 -7.619 -0.079 6.852 72 HE2 TYR 8 2HE TYR 8 -9.937 3.366 5.780 73 HH TYR 8 HH TYR 8 -8.436 1.661 8.357 74 H ARG 9 HN ARG 9 -10.682 -0.887 1.556 75 HA ARG 9 HA ARG 9 -12.829 -0.325 1.155 76 HB2 ARG 9 2HB ARG 9 -11.797 2.445 1.767 77 HB3 ARG 9 1HB ARG 9 -13.503 2.072 1.544 78 HG2 ARG 9 2HG ARG 9 -13.436 0.539 3.420 79 HG3 ARG 9 1HG ARG 9 -11.710 0.837 3.614 80 HD2 ARG 9 2HD ARG 9 -12.110 3.118 4.202 81 HD3 ARG 9 1HD ARG 9 -13.831 2.962 3.835 82 HE ARG 9 HE ARG 9 -13.397 1.053 5.678 83 HH11 ARG 9 1HH1 ARG 9 -12.596 4.511 5.722 84 HH12 ARG 9 2HH1 ARG 9 -12.930 4.697 7.377 85 HH21 ARG 9 1HH2 ARG 9 -13.871 1.340 7.956 86 HH22 ARG 9 2HH2 ARG 9 -13.656 2.862 8.665 87 H GLY 10 HN GLY 10 -10.963 -0.497 -1.012 88 HA2 GLY 10 2HA GLY 10 -11.594 -0.545 -3.297 89 HA3 GLY 10 1HA GLY 10 -12.593 0.874 -3.021 90 H ILE 11 HN ILE 11 -10.086 1.875 -1.438 91 HA ILE 11 HA ILE 11 -8.917 3.145 -3.786 92 HB ILE 11 HB ILE 11 -8.505 3.747 -0.849 93 HG12 ILE 11 2HG1 ILE 11 -10.838 4.141 -1.487 94 HG13 ILE 11 1HG1 ILE 11 -10.022 5.658 -1.160 95 HG21 ILE 11 1HG2 ILE 11 -7.760 5.357 -3.293 96 HG22 ILE 11 2HG2 ILE 11 -6.647 4.519 -2.215 97 HG23 ILE 11 3HG2 ILE 11 -7.578 5.895 -1.623 98 HD11 ILE 11 1HD1 ILE 11 -9.802 6.027 -3.588 99 HD12 ILE 11 2HD1 ILE 11 -11.482 5.851 -3.084 100 HD13 ILE 11 3HD1 ILE 11 -10.658 4.511 -3.878 101 H CYS 12 HN CYS 12 -7.220 2.133 -4.610 102 HA CYS 12 HA CYS 12 -5.481 0.598 -2.841 103 HB2 CYS 12 2HB CYS 12 -5.634 0.658 -5.855 104 HB3 CYS 12 1HB CYS 12 -4.587 -0.385 -4.904 105 H TYR 13 HN TYR 13 -3.776 1.506 -2.134 106 HA TYR 13 HA TYR 13 -2.443 3.532 -3.762 107 HB2 TYR 13 2HB TYR 13 -1.835 4.706 -1.639 108 HB3 TYR 13 1HB TYR 13 -3.561 4.673 -1.980 109 HD1 TYR 13 1HD TYR 13 -0.918 3.425 0.250 110 HD2 TYR 13 2HD TYR 13 -5.091 3.463 -0.561 111 HE1 TYR 13 1HE TYR 13 -1.358 2.532 2.484 112 HE2 TYR 13 2HE TYR 13 -5.538 2.570 1.667 113 HH TYR 13 HH TYR 13 -3.161 2.433 4.085 114 H ARG 14 HN ARG 14 -0.141 3.881 -2.874 115 HA ARG 14 HA ARG 14 1.025 1.209 -2.554 116 HB2 ARG 14 2HB ARG 14 2.281 3.735 -3.676 117 HB3 ARG 14 1HB ARG 14 3.158 2.252 -3.375 118 HG2 ARG 14 2HG ARG 14 2.720 2.364 -5.706 119 HG3 ARG 14 1HG ARG 14 1.650 1.131 -5.044 120 HD2 ARG 14 2HD ARG 14 -0.191 2.747 -5.034 121 HD3 ARG 14 1HD ARG 14 0.890 3.979 -5.683 122 HE ARG 14 HE ARG 14 1.003 1.815 -7.384 123 HH11 ARG 14 1HH1 ARG 14 -1.421 4.193 -6.364 124 HH12 ARG 14 2HH1 ARG 14 -2.266 4.156 -7.842 125 HH21 ARG 14 1HH2 ARG 14 -0.184 1.763 -9.398 126 HH22 ARG 14 2HH2 ARG 14 -1.528 2.769 -9.601 127 H LYS 15 HN LYS 15 1.972 0.764 -0.722 128 HA LYS 15 HA LYS 15 2.851 2.999 0.962 129 HB2 LYS 15 2HB LYS 15 0.768 1.649 1.698 130 HB3 LYS 15 1HB LYS 15 1.882 0.324 1.982 131 HG2 LYS 15 2HG LYS 15 3.028 1.559 3.674 132 HG3 LYS 15 1HG LYS 15 2.118 3.021 3.293 133 HD2 LYS 15 2HD LYS 15 0.026 1.733 3.884 134 HD3 LYS 15 1HD LYS 15 1.084 0.467 4.506 135 HE2 LYS 15 2HE LYS 15 2.079 2.071 6.063 136 HE3 LYS 15 1HE LYS 15 1.034 3.334 5.428 137 HZ1 LYS 15 1HZ LYS 15 0.106 0.875 6.801 138 HZ2 LYS 15 2HZ LYS 15 -0.889 2.051 6.175 139 HZ3 LYS 15 3HZ LYS 15 0.119 2.416 7.471 140 H CYS 16 HN CYS 16 4.986 2.867 1.457 141 HA CYS 16 HA CYS 16 6.349 0.523 0.389 142 HB2 CYS 16 2HB CYS 16 7.435 3.275 0.939 143 HB3 CYS 16 1HB CYS 16 8.349 1.935 0.255 144 H ARG 17 HN ARG 17 7.342 -0.854 1.541 145 HA ARG 17 HA ARG 17 8.995 -0.499 3.679 146 HB2 ARG 17 2HB ARG 17 7.045 0.125 5.043 147 HB3 ARG 17 1HB ARG 17 6.214 -1.353 4.595 148 HG2 ARG 17 2HG ARG 17 7.850 -2.673 5.793 149 HG3 ARG 17 1HG ARG 17 8.791 -1.230 6.162 150 HD2 ARG 17 2HD ARG 17 5.965 -1.776 7.073 151 HD3 ARG 17 1HD ARG 17 7.414 -1.938 8.065 152 HE ARG 17 HE ARG 17 7.353 0.623 6.984 153 HH11 ARG 17 1HH1 ARG 17 5.609 -1.278 9.402 154 HH12 ARG 17 2HH1 ARG 17 5.122 0.067 10.326 155 HH21 ARG 17 1HH2 ARG 17 6.666 2.478 8.211 156 HH22 ARG 17 2HH2 ARG 17 5.746 2.279 9.625 157 HN1 NH2 18 1H ARG 17 10.114 -1.956 2.512 158 HN2 NH2 18 2H ARG 17 9.665 -3.615 2.325 Start of MODEL 14 1 H1 LYS 1 1HT LYS 1 14.609 -0.662 -3.212 2 H2 LYS 1 2HT LYS 1 13.510 -1.485 -4.195 3 H3 LYS 1 3HT LYS 1 13.848 -2.086 -2.689 4 HA LYS 1 HA LYS 1 12.813 -0.139 -1.677 5 HB2 LYS 1 2HB LYS 1 12.040 0.456 -4.552 6 HB3 LYS 1 1HB LYS 1 11.498 1.351 -3.148 7 HG2 LYS 1 2HG LYS 1 14.383 1.156 -3.995 8 HG3 LYS 1 1HG LYS 1 13.298 2.441 -4.505 9 HD2 LYS 1 2HD LYS 1 13.898 1.832 -1.605 10 HD3 LYS 1 1HD LYS 1 14.829 2.982 -2.562 11 HE2 LYS 1 2HE LYS 1 12.733 4.239 -3.006 12 HE3 LYS 1 1HE LYS 1 11.888 3.105 -1.953 13 HZ1 LYS 1 1HZ LYS 1 14.096 4.903 -1.129 14 HZ2 LYS 1 2HZ LYS 1 13.313 3.819 -0.128 15 HZ3 LYS 1 3HZ LYS 1 12.468 5.128 -0.759 16 H TRP 2 HN TRP 2 11.420 -1.534 -0.713 17 HA TRP 2 HA TRP 2 9.714 -3.255 -2.336 18 HB2 TRP 2 2HB TRP 2 10.267 -3.180 0.627 19 HB3 TRP 2 1HB TRP 2 9.032 -4.204 -0.079 20 HD1 TRP 2 1HD TRP 2 10.151 -5.922 -2.098 21 HE1 TRP 2 1HE TRP 2 12.258 -7.377 -1.837 22 HE3 TRP 2 3HE TRP 2 12.390 -3.415 1.750 23 HZ2 TRP 2 2HZ TRP 2 14.567 -7.451 -0.205 24 HZ3 TRP 2 3HZ TRP 2 14.540 -4.243 2.600 25 HH2 TRP 2 2HH TRP 2 15.601 -6.223 1.638 26 H CYS 3 HN CYS 3 7.782 -2.525 -2.909 27 HA CYS 3 HA CYS 3 6.210 -1.022 -0.953 28 HB2 CYS 3 2HB CYS 3 6.316 -0.519 -3.946 29 HB3 CYS 3 1HB CYS 3 5.261 0.302 -2.806 30 H PHE 4 HN PHE 4 3.961 -1.505 -1.041 31 HA PHE 4 HA PHE 4 3.144 -3.478 -2.992 32 HB2 PHE 4 2HB PHE 4 1.852 -4.655 -1.216 33 HB3 PHE 4 1HB PHE 4 3.623 -4.874 -1.159 34 HD1 PHE 4 1HD PHE 4 4.886 -3.660 0.643 35 HD2 PHE 4 2HD PHE 4 0.641 -3.833 0.584 36 HE1 PHE 4 1HE PHE 4 4.835 -3.058 3.024 37 HE2 PHE 4 2HE PHE 4 0.582 -3.226 2.959 38 HZ PHE 4 HZ PHE 4 2.683 -2.835 4.186 39 H ARG 5 HN ARG 5 0.894 -3.668 -3.234 40 HA ARG 5 HA ARG 5 -0.436 -1.098 -2.999 41 HB2 ARG 5 2HB ARG 5 -0.454 -2.016 -5.196 42 HB3 ARG 5 1HB ARG 5 -0.911 -3.602 -4.609 43 HG2 ARG 5 2HG ARG 5 -3.136 -2.704 -4.009 44 HG3 ARG 5 1HG ARG 5 -2.659 -1.144 -4.683 45 HD2 ARG 5 2HD ARG 5 -2.443 -2.053 -6.859 46 HD3 ARG 5 1HD ARG 5 -2.595 -3.709 -6.268 47 HE ARG 5 HE ARG 5 -4.916 -2.497 -5.533 48 HH11 ARG 5 1HH1 ARG 5 -3.287 -2.901 -8.653 49 HH12 ARG 5 2HH1 ARG 5 -4.743 -3.021 -9.536 50 HH21 ARG 5 1HH2 ARG 5 -6.897 -2.691 -6.768 51 HH22 ARG 5 2HH2 ARG 5 -6.814 -2.850 -8.460 52 H VAL 6 HN VAL 6 -2.026 -0.740 -1.589 53 HA VAL 6 HA VAL 6 -3.393 -3.061 -0.447 54 HB VAL 6 HB VAL 6 -2.844 -0.408 0.947 55 HG11 VAL 6 1HG1 VAL 6 -4.222 -2.885 2.007 56 HG12 VAL 6 2HG1 VAL 6 -5.000 -1.353 1.630 57 HG13 VAL 6 3HG1 VAL 6 -3.845 -1.445 2.950 58 HG21 VAL 6 1HG2 VAL 6 -0.841 -1.773 0.831 59 HG22 VAL 6 2HG2 VAL 6 -1.723 -3.150 1.489 60 HG23 VAL 6 3HG2 VAL 6 -1.451 -1.720 2.485 61 H CYS 7 HN CYS 7 -5.540 -3.008 -0.888 62 HA CYS 7 HA CYS 7 -6.674 -0.444 -1.679 63 HB2 CYS 7 2HB CYS 7 -7.594 -3.242 -2.376 64 HB3 CYS 7 1HB CYS 7 -8.419 -1.758 -2.837 65 H TYR 8 HN TYR 8 -7.835 0.454 -0.282 66 HA TYR 8 HA TYR 8 -9.166 -1.175 1.770 67 HB2 TYR 8 2HB TYR 8 -7.055 0.155 2.384 68 HB3 TYR 8 1HB TYR 8 -8.032 1.584 2.126 69 HD1 TYR 8 1HD TYR 8 -7.278 -1.152 4.360 70 HD2 TYR 8 2HD TYR 8 -9.944 2.065 3.625 71 HE1 TYR 8 1HE TYR 8 -8.031 -1.274 6.662 72 HE2 TYR 8 2HE TYR 8 -10.719 1.961 5.937 73 HH TYR 8 HH TYR 8 -10.828 0.271 7.742 74 H ARG 9 HN ARG 9 -11.233 -1.088 1.026 75 HA ARG 9 HA ARG 9 -13.328 -0.321 0.602 76 HB2 ARG 9 2HB ARG 9 -12.210 2.334 1.536 77 HB3 ARG 9 1HB ARG 9 -13.895 2.069 1.144 78 HG2 ARG 9 2HG ARG 9 -12.385 0.661 3.340 79 HG3 ARG 9 1HG ARG 9 -13.438 2.062 3.547 80 HD2 ARG 9 2HD ARG 9 -15.293 0.708 2.566 81 HD3 ARG 9 1HD ARG 9 -14.223 -0.693 2.610 82 HE ARG 9 HE ARG 9 -14.246 0.454 5.139 83 HH11 ARG 9 1HH1 ARG 9 -16.515 -1.257 3.017 84 HH12 ARG 9 2HH1 ARG 9 -17.438 -1.909 4.289 85 HH21 ARG 9 1HH2 ARG 9 -15.571 -0.416 6.904 86 HH22 ARG 9 2HH2 ARG 9 -16.878 -1.422 6.543 87 H GLY 10 HN GLY 10 -11.179 -0.281 -1.396 88 HA2 GLY 10 2HA GLY 10 -11.496 0.062 -3.731 89 HA3 GLY 10 1HA GLY 10 -12.550 1.420 -3.350 90 H ILE 11 HN ILE 11 -10.252 1.995 -1.309 91 HA ILE 11 HA ILE 11 -8.865 3.812 -3.084 92 HB ILE 11 HB ILE 11 -8.603 3.464 -0.078 93 HG12 ILE 11 2HG1 ILE 11 -10.869 4.173 -0.660 94 HG13 ILE 11 1HG1 ILE 11 -10.000 5.487 0.117 95 HG21 ILE 11 1HG2 ILE 11 -7.514 5.651 -0.084 96 HG22 ILE 11 2HG2 ILE 11 -7.684 5.738 -1.832 97 HG23 ILE 11 3HG2 ILE 11 -6.633 4.518 -1.117 98 HD11 ILE 11 1HD1 ILE 11 -9.611 6.496 -2.089 99 HD12 ILE 11 2HD1 ILE 11 -11.324 6.312 -1.718 100 HD13 ILE 11 3HD1 ILE 11 -10.541 5.194 -2.834 101 H CYS 12 HN CYS 12 -7.289 2.816 -4.204 102 HA CYS 12 HA CYS 12 -5.673 0.838 -2.808 103 HB2 CYS 12 2HB CYS 12 -5.849 1.456 -5.761 104 HB3 CYS 12 1HB CYS 12 -4.843 0.212 -5.029 105 H TYR 13 HN TYR 13 -3.960 1.498 -1.931 106 HA TYR 13 HA TYR 13 -2.421 3.646 -3.159 107 HB2 TYR 13 2HB TYR 13 -1.900 4.479 -0.871 108 HB3 TYR 13 1HB TYR 13 -3.605 4.587 -1.297 109 HD1 TYR 13 1HD TYR 13 -1.154 2.834 0.826 110 HD2 TYR 13 2HD TYR 13 -5.273 3.390 -0.061 111 HE1 TYR 13 1HE TYR 13 -1.750 1.724 2.919 112 HE2 TYR 13 2HE TYR 13 -5.882 2.280 2.030 113 HH TYR 13 HH TYR 13 -4.932 0.727 3.626 114 H ARG 14 HN ARG 14 -0.145 3.597 -2.256 115 HA ARG 14 HA ARG 14 0.599 0.791 -1.972 116 HB2 ARG 14 2HB ARG 14 2.183 3.084 -3.101 117 HB3 ARG 14 1HB ARG 14 2.781 1.450 -2.884 118 HG2 ARG 14 2HG ARG 14 1.108 0.633 -4.481 119 HG3 ARG 14 1HG ARG 14 0.537 2.293 -4.709 120 HD2 ARG 14 2HD ARG 14 2.770 2.952 -5.432 121 HD3 ARG 14 1HD ARG 14 3.320 1.301 -5.196 122 HE ARG 14 HE ARG 14 1.158 1.339 -6.978 123 HH11 ARG 14 1HH1 ARG 14 4.525 2.291 -6.721 124 HH12 ARG 14 2HH1 ARG 14 4.927 2.042 -8.357 125 HH21 ARG 14 1HH2 ARG 14 1.659 0.983 -9.294 126 HH22 ARG 14 2HH2 ARG 14 3.255 1.249 -9.849 127 H LYS 15 HN LYS 15 1.932 0.207 -0.417 128 HA LYS 15 HA LYS 15 2.822 2.269 1.468 129 HB2 LYS 15 2HB LYS 15 2.247 -0.651 2.001 130 HB3 LYS 15 1HB LYS 15 2.876 0.495 3.173 131 HG2 LYS 15 2HG LYS 15 0.805 1.799 2.983 132 HG3 LYS 15 1HG LYS 15 0.179 0.607 1.845 133 HD2 LYS 15 2HD LYS 15 -0.728 0.128 4.023 134 HD3 LYS 15 1HD LYS 15 0.428 -1.126 3.600 135 HE2 LYS 15 2HE LYS 15 0.670 -0.436 5.936 136 HE3 LYS 15 1HE LYS 15 2.124 -0.081 5.013 137 HZ1 LYS 15 1HZ LYS 15 0.009 1.893 5.719 138 HZ2 LYS 15 2HZ LYS 15 1.428 2.234 4.882 139 HZ3 LYS 15 3HZ LYS 15 1.501 1.725 6.480 140 H CYS 16 HN CYS 16 4.898 2.606 1.313 141 HA CYS 16 HA CYS 16 6.565 0.494 0.222 142 HB2 CYS 16 2HB CYS 16 6.986 3.462 0.480 143 HB3 CYS 16 1HB CYS 16 8.236 2.345 -0.058 144 H ARG 17 HN ARG 17 8.172 -0.361 1.286 145 HA ARG 17 HA ARG 17 8.076 -0.070 4.167 146 HB2 ARG 17 2HB ARG 17 9.788 -1.962 2.542 147 HB3 ARG 17 1HB ARG 17 9.356 -2.104 4.238 148 HG2 ARG 17 2HG ARG 17 7.015 -2.454 3.580 149 HG3 ARG 17 1HG ARG 17 7.502 -2.366 1.887 150 HD2 ARG 17 2HD ARG 17 9.112 -4.239 2.388 151 HD3 ARG 17 1HD ARG 17 8.292 -4.414 3.937 152 HE ARG 17 HE ARG 17 7.106 -4.828 1.290 153 HH11 ARG 17 1HH1 ARG 17 6.897 -5.275 4.803 154 HH12 ARG 17 2HH1 ARG 17 5.756 -6.516 4.717 155 HH21 ARG 17 1HH2 ARG 17 5.569 -6.570 1.173 156 HH22 ARG 17 2HH2 ARG 17 5.013 -7.306 2.590 157 HN1 NH2 18 1H ARG 17 10.944 -0.725 2.223 158 HN2 NH2 18 2H ARG 17 11.858 0.595 2.853 Start of MODEL 15 1 H1 LYS 1 1HT LYS 1 12.294 -2.738 0.729 2 H2 LYS 1 2HT LYS 1 11.833 -1.127 0.632 3 H3 LYS 1 3HT LYS 1 13.426 -1.503 0.919 4 HA LYS 1 HA LYS 1 13.112 -0.743 -1.297 5 HB2 LYS 1 2HB LYS 1 14.121 -2.634 -2.537 6 HB3 LYS 1 1HB LYS 1 14.910 -2.342 -0.997 7 HG2 LYS 1 2HG LYS 1 13.729 -4.261 -0.035 8 HG3 LYS 1 1HG LYS 1 12.912 -4.527 -1.574 9 HD2 LYS 1 2HD LYS 1 15.079 -4.907 -2.660 10 HD3 LYS 1 1HD LYS 1 15.899 -4.644 -1.120 11 HE2 LYS 1 2HE LYS 1 14.702 -6.567 -0.170 12 HE3 LYS 1 1HE LYS 1 13.897 -6.817 -1.710 13 HZ1 LYS 1 1HZ LYS 1 16.080 -7.243 -2.723 14 HZ2 LYS 1 2HZ LYS 1 15.741 -8.316 -1.500 15 HZ3 LYS 1 3HZ LYS 1 16.822 -7.060 -1.221 16 H TRP 2 HN TRP 2 10.909 -3.439 -0.535 17 HA TRP 2 HA TRP 2 9.802 -3.115 -3.182 18 HB2 TRP 2 2HB TRP 2 8.372 -5.096 -2.625 19 HB3 TRP 2 1HB TRP 2 10.095 -5.415 -2.603 20 HD1 TRP 2 1HD TRP 2 7.309 -4.633 -0.020 21 HE1 TRP 2 1HE TRP 2 7.794 -6.010 2.106 22 HE3 TRP 2 3HE TRP 2 11.662 -6.848 -1.468 23 HZ2 TRP 2 2HZ TRP 2 9.755 -7.819 3.025 24 HZ3 TRP 2 3HZ TRP 2 12.776 -8.398 0.091 25 HH2 TRP 2 2HH TRP 2 11.835 -8.866 2.287 26 H CYS 3 HN CYS 3 7.632 -2.741 -3.563 27 HA CYS 3 HA CYS 3 6.169 -1.479 -1.366 28 HB2 CYS 3 2HB CYS 3 6.420 -0.487 -4.213 29 HB3 CYS 3 1HB CYS 3 5.313 0.167 -3.024 30 H PHE 4 HN PHE 4 3.962 -1.827 -1.454 31 HA PHE 4 HA PHE 4 2.974 -3.381 -3.683 32 HB2 PHE 4 2HB PHE 4 1.661 -4.780 -2.041 33 HB3 PHE 4 1HB PHE 4 3.400 -5.076 -2.090 34 HD1 PHE 4 1HD PHE 4 0.596 -3.964 -0.080 35 HD2 PHE 4 2HD PHE 4 4.825 -4.359 -0.215 36 HE1 PHE 4 1HE PHE 4 0.698 -3.674 2.348 37 HE2 PHE 4 2HE PHE 4 4.937 -4.062 2.223 38 HZ PHE 4 HZ PHE 4 2.870 -3.723 3.511 39 H ARG 5 HN ARG 5 0.635 -3.336 -3.836 40 HA ARG 5 HA ARG 5 -0.301 -0.736 -2.895 41 HB2 ARG 5 2HB ARG 5 -0.001 -0.961 -5.338 42 HB3 ARG 5 1HB ARG 5 -1.149 -2.288 -5.341 43 HG2 ARG 5 2HG ARG 5 -2.909 -0.781 -4.600 44 HG3 ARG 5 1HG ARG 5 -1.756 0.555 -4.559 45 HD2 ARG 5 2HD ARG 5 -2.539 -1.043 -6.997 46 HD3 ARG 5 1HD ARG 5 -3.086 0.587 -6.612 47 HE ARG 5 HE ARG 5 -0.271 0.525 -6.665 48 HH11 ARG 5 1HH1 ARG 5 -3.011 0.336 -8.895 49 HH12 ARG 5 2HH1 ARG 5 -2.171 0.997 -10.216 50 HH21 ARG 5 1HH2 ARG 5 0.895 1.400 -8.478 51 HH22 ARG 5 2HH2 ARG 5 0.110 1.586 -9.986 52 H VAL 6 HN VAL 6 -1.868 -0.754 -1.491 53 HA VAL 6 HA VAL 6 -3.394 -3.227 -1.083 54 HB VAL 6 HB VAL 6 -2.990 -0.880 0.809 55 HG11 VAL 6 1HG1 VAL 6 -5.105 -2.023 1.214 56 HG12 VAL 6 2HG1 VAL 6 -3.977 -2.322 2.534 57 HG13 VAL 6 3HG1 VAL 6 -4.264 -3.570 1.323 58 HG21 VAL 6 1HG2 VAL 6 -0.913 -2.099 0.498 59 HG22 VAL 6 2HG2 VAL 6 -1.732 -3.618 0.865 60 HG23 VAL 6 3HG2 VAL 6 -1.561 -2.381 2.113 61 H CYS 7 HN CYS 7 -5.562 -3.128 -1.407 62 HA CYS 7 HA CYS 7 -6.704 -0.478 -1.904 63 HB2 CYS 7 2HB CYS 7 -7.596 -3.200 -2.864 64 HB3 CYS 7 1HB CYS 7 -8.493 -1.709 -3.146 65 H TYR 8 HN TYR 8 -7.618 0.252 -0.246 66 HA TYR 8 HA TYR 8 -8.900 -1.600 1.626 67 HB2 TYR 8 2HB TYR 8 -6.712 -0.465 2.303 68 HB3 TYR 8 1HB TYR 8 -7.617 1.042 2.246 69 HD1 TYR 8 1HD TYR 8 -8.884 1.737 4.118 70 HD2 TYR 8 2HD TYR 8 -7.445 -2.254 3.916 71 HE1 TYR 8 1HE TYR 8 -9.536 1.390 6.456 72 HE2 TYR 8 2HE TYR 8 -8.091 -2.617 6.239 73 HH TYR 8 HH TYR 8 -10.104 -0.567 7.970 74 H ARG 9 HN ARG 9 -10.996 -1.343 1.315 75 HA ARG 9 HA ARG 9 -13.070 -0.471 1.118 76 HB2 ARG 9 2HB ARG 9 -11.737 2.005 2.222 77 HB3 ARG 9 1HB ARG 9 -13.474 1.827 2.044 78 HG2 ARG 9 2HG ARG 9 -13.449 -0.057 3.599 79 HG3 ARG 9 1HG ARG 9 -11.699 0.099 3.758 80 HD2 ARG 9 2HD ARG 9 -13.744 2.177 4.521 81 HD3 ARG 9 1HD ARG 9 -12.860 1.123 5.624 82 HE ARG 9 HE ARG 9 -11.165 2.674 3.927 83 HH11 ARG 9 1HH1 ARG 9 -12.959 2.715 6.954 84 HH12 ARG 9 2HH1 ARG 9 -11.997 3.900 7.682 85 HH21 ARG 9 1HH2 ARG 9 -9.825 4.309 4.901 86 HH22 ARG 9 2HH2 ARG 9 -10.174 4.845 6.481 87 H GLY 10 HN GLY 10 -11.292 -0.432 -1.087 88 HA2 GLY 10 2HA GLY 10 -11.843 0.078 -3.320 89 HA3 GLY 10 1HA GLY 10 -12.739 1.484 -2.761 90 H ILE 11 HN ILE 11 -10.373 2.117 -0.992 91 HA ILE 11 HA ILE 11 -9.062 3.786 -2.947 92 HB ILE 11 HB ILE 11 -8.651 3.605 0.052 93 HG12 ILE 11 2HG1 ILE 11 -10.935 4.322 -0.458 94 HG13 ILE 11 1HG1 ILE 11 -10.008 5.663 0.203 95 HG21 ILE 11 1HG2 ILE 11 -7.734 5.722 -1.893 96 HG22 ILE 11 2HG2 ILE 11 -6.709 4.552 -1.064 97 HG23 ILE 11 3HG2 ILE 11 -7.554 5.795 -0.139 98 HD11 ILE 11 1HD1 ILE 11 -9.731 6.560 -2.065 99 HD12 ILE 11 2HD1 ILE 11 -11.427 6.398 -1.611 100 HD13 ILE 11 3HD1 ILE 11 -10.693 5.223 -2.702 101 H CYS 12 HN CYS 12 -7.376 3.020 -3.977 102 HA CYS 12 HA CYS 12 -5.756 0.932 -2.719 103 HB2 CYS 12 2HB CYS 12 -5.819 1.861 -5.590 104 HB3 CYS 12 1HB CYS 12 -4.882 0.510 -4.965 105 H TYR 13 HN TYR 13 -3.895 1.399 -1.919 106 HA TYR 13 HA TYR 13 -2.490 3.741 -2.913 107 HB2 TYR 13 2HB TYR 13 -1.927 4.422 -0.614 108 HB3 TYR 13 1HB TYR 13 -3.657 4.459 -0.925 109 HD1 TYR 13 1HD TYR 13 -5.167 3.076 0.338 110 HD2 TYR 13 2HD TYR 13 -0.962 2.678 0.848 111 HE1 TYR 13 1HE TYR 13 -5.540 1.764 2.372 112 HE2 TYR 13 2HE TYR 13 -1.320 1.382 2.859 113 HH TYR 13 HH TYR 13 -4.343 0.123 3.795 114 H ARG 14 HN ARG 14 -0.283 3.682 -2.598 115 HA ARG 14 HA ARG 14 0.786 0.985 -2.484 116 HB2 ARG 14 2HB ARG 14 1.325 2.210 -4.462 117 HB3 ARG 14 1HB ARG 14 1.830 3.609 -3.529 118 HG2 ARG 14 2HG ARG 14 3.774 2.374 -2.759 119 HG3 ARG 14 1HG ARG 14 3.232 0.961 -3.675 120 HD2 ARG 14 2HD ARG 14 3.427 2.130 -5.741 121 HD3 ARG 14 1HD ARG 14 3.737 3.657 -4.918 122 HE ARG 14 HE ARG 14 5.784 2.406 -4.048 123 HH11 ARG 14 1HH1 ARG 14 4.425 1.944 -7.289 124 HH12 ARG 14 2HH1 ARG 14 5.936 1.613 -8.012 125 HH21 ARG 14 1HH2 ARG 14 7.860 1.979 -5.090 126 HH22 ARG 14 2HH2 ARG 14 7.877 1.601 -6.748 127 H LYS 15 HN LYS 15 1.926 0.283 -0.843 128 HA LYS 15 HA LYS 15 2.791 2.177 1.209 129 HB2 LYS 15 2HB LYS 15 2.485 -0.832 1.294 130 HB3 LYS 15 1HB LYS 15 3.241 0.098 2.571 131 HG2 LYS 15 2HG LYS 15 1.095 1.315 2.868 132 HG3 LYS 15 1HG LYS 15 0.365 0.217 1.690 133 HD2 LYS 15 2HD LYS 15 0.884 -1.689 3.085 134 HD3 LYS 15 1HD LYS 15 1.744 -0.661 4.230 135 HE2 LYS 15 2HE LYS 15 -0.380 0.503 4.725 136 HE3 LYS 15 1HE LYS 15 -1.211 -0.581 3.610 137 HZ1 LYS 15 1HZ LYS 15 -0.608 -2.437 5.024 138 HZ2 LYS 15 2HZ LYS 15 -1.440 -1.288 5.919 139 HZ3 LYS 15 3HZ LYS 15 0.227 -1.422 6.068 140 H CYS 16 HN CYS 16 4.835 2.681 1.397 141 HA CYS 16 HA CYS 16 6.888 0.854 0.417 142 HB2 CYS 16 2HB CYS 16 6.739 3.830 -0.123 143 HB3 CYS 16 1HB CYS 16 8.158 2.831 -0.406 144 H ARG 17 HN ARG 17 8.594 0.746 1.796 145 HA ARG 17 HA ARG 17 9.247 2.883 3.534 146 HB2 ARG 17 2HB ARG 17 7.406 1.845 4.820 147 HB3 ARG 17 1HB ARG 17 8.254 0.306 4.781 148 HG2 ARG 17 2HG ARG 17 10.071 1.247 6.079 149 HG3 ARG 17 1HG ARG 17 9.290 2.826 6.059 150 HD2 ARG 17 2HD ARG 17 8.902 1.712 8.166 151 HD3 ARG 17 1HD ARG 17 7.390 1.889 7.286 152 HE ARG 17 HE ARG 17 8.306 -0.586 6.611 153 HH11 ARG 17 1HH1 ARG 17 7.545 1.036 9.660 154 HH12 ARG 17 2HH1 ARG 17 7.103 -0.381 10.479 155 HH21 ARG 17 1HH2 ARG 17 7.691 -2.560 7.735 156 HH22 ARG 17 2HH2 ARG 17 7.192 -2.474 9.356 157 HN1 NH2 18 1H ARG 17 11.172 2.783 2.581 158 HN2 NH2 18 2H ARG 17 12.265 1.450 2.698 Start of MODEL 16 1 H1 LYS 1 1HT LYS 1 12.624 0.890 -1.415 2 H2 LYS 1 2HT LYS 1 13.478 0.141 -2.660 3 H3 LYS 1 3HT LYS 1 14.246 0.492 -1.193 4 HA LYS 1 HA LYS 1 13.697 -1.835 -1.413 5 HB2 LYS 1 2HB LYS 1 12.179 -0.290 0.703 6 HB3 LYS 1 1HB LYS 1 12.416 -2.021 0.743 7 HG2 LYS 1 2HG LYS 1 14.812 -1.738 0.933 8 HG3 LYS 1 1HG LYS 1 14.640 0.009 0.776 9 HD2 LYS 1 2HD LYS 1 13.405 0.121 2.848 10 HD3 LYS 1 1HD LYS 1 13.400 -1.635 2.977 11 HE2 LYS 1 2HE LYS 1 15.872 0.092 3.008 12 HE3 LYS 1 1HE LYS 1 15.078 -0.546 4.442 13 HZ1 LYS 1 1HZ LYS 1 15.518 -2.791 3.636 14 HZ2 LYS 1 2HZ LYS 1 16.945 -1.919 3.788 15 HZ3 LYS 1 3HZ LYS 1 16.295 -2.173 2.269 16 H TRP 2 HN TRP 2 11.534 -3.146 -0.587 17 HA TRP 2 HA TRP 2 9.903 -3.121 -2.887 18 HB2 TRP 2 2HB TRP 2 8.736 -5.021 -1.900 19 HB3 TRP 2 1HB TRP 2 10.470 -5.208 -1.735 20 HD1 TRP 2 1HD TRP 2 11.397 -4.506 0.880 21 HE1 TRP 2 1HE TRP 2 10.324 -5.149 3.122 22 HE3 TRP 2 3HE TRP 2 6.666 -5.532 -0.760 23 HZ2 TRP 2 2HZ TRP 2 7.810 -5.993 4.070 24 HZ3 TRP 2 3HZ TRP 2 4.991 -6.266 0.883 25 HH2 TRP 2 2HH TRP 2 5.553 -6.491 3.244 26 H CYS 3 HN CYS 3 7.782 -2.707 -3.178 27 HA CYS 3 HA CYS 3 6.371 -1.181 -1.118 28 HB2 CYS 3 2HB CYS 3 6.335 -0.708 -4.114 29 HB3 CYS 3 1HB CYS 3 5.427 0.201 -2.923 30 H PHE 4 HN PHE 4 4.107 -1.493 -1.133 31 HA PHE 4 HA PHE 4 3.102 -3.577 -2.890 32 HB2 PHE 4 2HB PHE 4 1.809 -4.507 -0.936 33 HB3 PHE 4 1HB PHE 4 3.547 -4.766 -0.860 34 HD1 PHE 4 1HD PHE 4 4.850 -3.796 0.877 35 HD2 PHE 4 2HD PHE 4 0.710 -2.921 0.579 36 HE1 PHE 4 1HE PHE 4 4.901 -2.856 3.128 37 HE2 PHE 4 2HE PHE 4 0.749 -1.962 2.842 38 HZ PHE 4 HZ PHE 4 2.847 -1.929 4.125 39 H ARG 5 HN ARG 5 0.726 -3.557 -2.999 40 HA ARG 5 HA ARG 5 -0.271 -0.831 -2.602 41 HB2 ARG 5 2HB ARG 5 -0.121 -1.386 -4.958 42 HB3 ARG 5 1HB ARG 5 -1.010 -2.876 -4.693 43 HG2 ARG 5 2HG ARG 5 -3.009 -1.620 -4.129 44 HG3 ARG 5 1HG ARG 5 -2.125 -0.105 -4.303 45 HD2 ARG 5 2HD ARG 5 -3.454 -0.571 -6.294 46 HD3 ARG 5 1HD ARG 5 -1.728 -0.594 -6.642 47 HE ARG 5 HE ARG 5 -2.674 -3.194 -6.062 48 HH11 ARG 5 1HH1 ARG 5 -2.660 -0.736 -8.619 49 HH12 ARG 5 2HH1 ARG 5 -2.777 -1.845 -9.896 50 HH21 ARG 5 1HH2 ARG 5 -2.852 -4.735 -7.824 51 HH22 ARG 5 2HH2 ARG 5 -2.921 -4.175 -9.428 52 H VAL 6 HN VAL 6 -1.902 -0.559 -1.289 53 HA VAL 6 HA VAL 6 -3.364 -2.930 -0.330 54 HB VAL 6 HB VAL 6 -3.053 -0.229 1.035 55 HG11 VAL 6 1HG1 VAL 6 -4.259 -2.797 2.080 56 HG12 VAL 6 2HG1 VAL 6 -5.141 -1.337 1.643 57 HG13 VAL 6 3HG1 VAL 6 -4.036 -1.316 3.011 58 HG21 VAL 6 1HG2 VAL 6 -0.932 -1.400 1.029 59 HG22 VAL 6 2HG2 VAL 6 -1.706 -2.849 1.670 60 HG23 VAL 6 3HG2 VAL 6 -1.614 -1.389 2.656 61 H CYS 7 HN CYS 7 -5.488 -2.973 -0.767 62 HA CYS 7 HA CYS 7 -6.719 -0.492 -1.686 63 HB2 CYS 7 2HB CYS 7 -7.434 -3.366 -2.309 64 HB3 CYS 7 1HB CYS 7 -8.438 -1.984 -2.741 65 H TYR 8 HN TYR 8 -7.727 0.418 -0.164 66 HA TYR 8 HA TYR 8 -9.001 -1.252 1.872 67 HB2 TYR 8 2HB TYR 8 -6.954 0.157 2.464 68 HB3 TYR 8 1HB TYR 8 -7.975 1.554 2.210 69 HD1 TYR 8 1HD TYR 8 -9.538 2.266 3.848 70 HD2 TYR 8 2HD TYR 8 -7.534 -1.443 4.309 71 HE1 TYR 8 1HE TYR 8 -10.361 2.123 6.137 72 HE2 TYR 8 2HE TYR 8 -8.336 -1.616 6.590 73 HH TYR 8 HH TYR 8 -9.110 -0.004 8.393 74 H ARG 9 HN ARG 9 -11.040 -1.297 1.157 75 HA ARG 9 HA ARG 9 -13.197 -0.680 0.782 76 HB2 ARG 9 2HB ARG 9 -12.326 2.021 1.854 77 HB3 ARG 9 1HB ARG 9 -13.989 1.500 1.655 78 HG2 ARG 9 2HG ARG 9 -11.975 0.233 3.511 79 HG3 ARG 9 1HG ARG 9 -13.234 1.366 3.996 80 HD2 ARG 9 2HD ARG 9 -14.951 -0.204 3.301 81 HD3 ARG 9 1HD ARG 9 -13.721 -1.303 2.678 82 HE ARG 9 HE ARG 9 -13.350 -0.699 5.434 83 HH11 ARG 9 1HH1 ARG 9 -15.324 -2.726 3.282 84 HH12 ARG 9 2HH1 ARG 9 -15.438 -4.017 4.379 85 HH21 ARG 9 1HH2 ARG 9 -13.531 -2.480 6.935 86 HH22 ARG 9 2HH2 ARG 9 -14.405 -3.869 6.491 87 H GLY 10 HN GLY 10 -11.176 -0.391 -1.245 88 HA2 GLY 10 2HA GLY 10 -11.620 0.059 -3.542 89 HA3 GLY 10 1HA GLY 10 -12.657 1.389 -3.044 90 H ILE 11 HN ILE 11 -10.306 1.944 -1.074 91 HA ILE 11 HA ILE 11 -8.999 3.794 -2.865 92 HB ILE 11 HB ILE 11 -8.582 3.361 0.112 93 HG12 ILE 11 2HG1 ILE 11 -10.866 4.090 -0.332 94 HG13 ILE 11 1HG1 ILE 11 -9.952 5.386 0.427 95 HG21 ILE 11 1HG2 ILE 11 -6.671 4.432 -0.996 96 HG22 ILE 11 2HG2 ILE 11 -7.485 5.529 0.116 97 HG23 ILE 11 3HG2 ILE 11 -7.742 5.687 -1.622 98 HD11 ILE 11 1HD1 ILE 11 -9.676 6.445 -1.767 99 HD12 ILE 11 2HD1 ILE 11 -11.371 6.245 -1.322 100 HD13 ILE 11 3HD1 ILE 11 -10.635 5.155 -2.495 101 H CYS 12 HN CYS 12 -7.491 2.835 -4.068 102 HA CYS 12 HA CYS 12 -5.771 0.857 -2.790 103 HB2 CYS 12 2HB CYS 12 -6.178 1.485 -5.721 104 HB3 CYS 12 1HB CYS 12 -5.055 0.279 -5.096 105 H TYR 13 HN TYR 13 -3.940 1.507 -2.064 106 HA TYR 13 HA TYR 13 -2.593 3.686 -3.458 107 HB2 TYR 13 2HB TYR 13 -1.856 4.625 -1.291 108 HB3 TYR 13 1HB TYR 13 -3.596 4.692 -1.524 109 HD1 TYR 13 1HD TYR 13 -0.881 2.980 0.326 110 HD2 TYR 13 2HD TYR 13 -5.076 3.613 -0.001 111 HE1 TYR 13 1HE TYR 13 -1.201 1.962 2.525 112 HE2 TYR 13 2HE TYR 13 -5.411 2.593 2.193 113 HH TYR 13 HH TYR 13 -4.333 1.177 3.764 114 H ARG 14 HN ARG 14 -0.311 3.806 -2.991 115 HA ARG 14 HA ARG 14 0.807 1.115 -2.766 116 HB2 ARG 14 2HB ARG 14 2.005 3.687 -3.800 117 HB3 ARG 14 1HB ARG 14 2.831 2.140 -3.745 118 HG2 ARG 14 2HG ARG 14 1.247 1.209 -5.292 119 HG3 ARG 14 1HG ARG 14 0.366 2.751 -5.370 120 HD2 ARG 14 2HD ARG 14 1.847 2.563 -7.279 121 HD3 ARG 14 1HD ARG 14 2.459 3.807 -6.190 122 HE ARG 14 HE ARG 14 3.502 1.116 -5.894 123 HH11 ARG 14 1HH1 ARG 14 4.056 4.398 -7.076 124 HH12 ARG 14 2HH1 ARG 14 5.737 4.220 -7.240 125 HH21 ARG 14 1HH2 ARG 14 5.817 0.861 -6.119 126 HH22 ARG 14 2HH2 ARG 14 6.766 2.173 -6.647 127 H LYS 15 HN LYS 15 2.072 0.629 -1.083 128 HA LYS 15 HA LYS 15 2.981 2.833 0.591 129 HB2 LYS 15 2HB LYS 15 1.025 1.684 1.612 130 HB3 LYS 15 1HB LYS 15 1.925 0.176 1.571 131 HG2 LYS 15 2HG LYS 15 3.588 1.107 3.080 132 HG3 LYS 15 1HG LYS 15 2.717 2.641 3.103 133 HD2 LYS 15 2HD LYS 15 0.757 1.481 4.035 134 HD3 LYS 15 1HD LYS 15 1.682 -0.020 4.065 135 HE2 LYS 15 2HE LYS 15 3.320 1.034 5.547 136 HE3 LYS 15 1HE LYS 15 2.362 2.512 5.545 137 HZ1 LYS 15 1HZ LYS 15 0.540 1.281 6.544 138 HZ2 LYS 15 2HZ LYS 15 1.913 1.212 7.494 139 HZ3 LYS 15 3HZ LYS 15 1.465 -0.128 6.579 140 H CYS 16 HN CYS 16 5.090 2.786 0.828 141 HA CYS 16 HA CYS 16 6.500 0.354 0.052 142 HB2 CYS 16 2HB CYS 16 7.443 3.211 0.171 143 HB3 CYS 16 1HB CYS 16 8.444 1.839 -0.285 144 H ARG 17 HN ARG 17 7.962 -0.587 1.326 145 HA ARG 17 HA ARG 17 8.360 0.523 4.019 146 HB2 ARG 17 2HB ARG 17 8.199 -2.321 3.070 147 HB3 ARG 17 1HB ARG 17 9.007 -1.896 4.562 148 HG2 ARG 17 2HG ARG 17 6.905 -1.018 5.428 149 HG3 ARG 17 1HG ARG 17 6.099 -1.478 3.919 150 HD2 ARG 17 2HD ARG 17 6.677 -3.785 4.251 151 HD3 ARG 17 1HD ARG 17 7.676 -3.367 5.633 152 HE ARG 17 HE ARG 17 4.861 -2.753 5.834 153 HH11 ARG 17 1HH1 ARG 17 7.541 -4.961 6.562 154 HH12 ARG 17 2HH1 ARG 17 6.741 -5.740 7.851 155 HH21 ARG 17 1HH2 ARG 17 3.740 -3.874 7.614 156 HH22 ARG 17 2HH2 ARG 17 4.561 -5.084 8.469 157 HN1 NH2 18 1H ARG 17 9.995 -2.154 2.516 158 HN2 NH2 18 2H ARG 17 11.544 -1.399 2.420 Start of MODEL 17 1 H1 LYS 1 1HT LYS 1 13.154 -0.771 -3.777 2 H2 LYS 1 2HT LYS 1 13.843 -1.995 -2.871 3 H3 LYS 1 3HT LYS 1 14.420 -0.422 -2.703 4 HA LYS 1 HA LYS 1 13.032 -1.069 -0.850 5 HB2 LYS 1 2HB LYS 1 11.439 0.794 -0.918 6 HB3 LYS 1 1HB LYS 1 12.956 1.302 -1.641 7 HG2 LYS 1 2HG LYS 1 11.956 0.912 -3.884 8 HG3 LYS 1 1HG LYS 1 10.428 0.548 -3.094 9 HD2 LYS 1 2HD LYS 1 10.443 2.799 -2.067 10 HD3 LYS 1 1HD LYS 1 11.932 3.165 -2.939 11 HE2 LYS 1 2HE LYS 1 9.271 2.473 -4.196 12 HE3 LYS 1 1HE LYS 1 9.953 4.092 -4.067 13 HZ1 LYS 1 1HZ LYS 1 11.129 1.836 -5.605 14 HZ2 LYS 1 2HZ LYS 1 11.788 3.364 -5.481 15 HZ3 LYS 1 3HZ LYS 1 10.299 3.147 -6.256 16 H TRP 2 HN TRP 2 10.871 -1.780 -0.163 17 HA TRP 2 HA TRP 2 9.578 -3.274 -2.313 18 HB2 TRP 2 2HB TRP 2 10.460 -4.741 -0.558 19 HB3 TRP 2 1HB TRP 2 9.531 -3.872 0.658 20 HD1 TRP 2 1HD TRP 2 8.691 -5.731 -2.645 21 HE1 TRP 2 1HE TRP 2 6.528 -7.095 -2.273 22 HE3 TRP 2 3HE TRP 2 7.776 -4.464 2.206 23 HZ2 TRP 2 2HZ TRP 2 4.684 -7.561 -0.181 24 HZ3 TRP 2 3HZ TRP 2 5.803 -5.411 3.325 25 HH2 TRP 2 2HH TRP 2 4.294 -6.926 2.155 26 H CYS 3 HN CYS 3 7.770 -2.549 -3.001 27 HA CYS 3 HA CYS 3 6.094 -0.947 -1.222 28 HB2 CYS 3 2HB CYS 3 6.474 -0.621 -4.202 29 HB3 CYS 3 1HB CYS 3 5.371 0.310 -3.205 30 H PHE 4 HN PHE 4 4.119 -1.620 -0.997 31 HA PHE 4 HA PHE 4 3.116 -3.595 -2.883 32 HB2 PHE 4 2HB PHE 4 1.788 -4.512 -0.948 33 HB3 PHE 4 1HB PHE 4 3.521 -4.781 -0.828 34 HD1 PHE 4 1HD PHE 4 4.847 -3.419 0.776 35 HD2 PHE 4 2HD PHE 4 0.601 -3.272 0.682 36 HE1 PHE 4 1HE PHE 4 4.835 -2.431 3.020 37 HE2 PHE 4 2HE PHE 4 0.589 -2.281 2.925 38 HZ PHE 4 HZ PHE 4 2.712 -1.858 4.097 39 H ARG 5 HN ARG 5 0.746 -3.551 -3.025 40 HA ARG 5 HA ARG 5 -0.097 -0.776 -2.753 41 HB2 ARG 5 2HB ARG 5 -0.050 -1.670 -5.070 42 HB3 ARG 5 1HB ARG 5 -1.204 -2.898 -4.586 43 HG2 ARG 5 2HG ARG 5 -2.891 -1.253 -4.163 44 HG3 ARG 5 1HG ARG 5 -1.741 0.056 -4.438 45 HD2 ARG 5 2HD ARG 5 -2.591 -1.980 -6.484 46 HD3 ARG 5 1HD ARG 5 -3.206 -0.330 -6.370 47 HE ARG 5 HE ARG 5 -0.391 -0.331 -6.539 48 HH11 ARG 5 1HH1 ARG 5 -3.270 -0.768 -8.518 49 HH12 ARG 5 2HH1 ARG 5 -2.509 -0.333 -9.981 50 HH21 ARG 5 1HH2 ARG 5 0.654 0.292 -8.505 51 HH22 ARG 5 2HH2 ARG 5 -0.193 0.277 -9.979 52 H VAL 6 HN VAL 6 -1.715 -0.303 -1.516 53 HA VAL 6 HA VAL 6 -3.068 -2.521 -0.178 54 HB VAL 6 HB VAL 6 -2.738 0.356 0.715 55 HG11 VAL 6 1HG1 VAL 6 -3.901 -2.019 2.153 56 HG12 VAL 6 2HG1 VAL 6 -4.796 -0.630 1.542 57 HG13 VAL 6 3HG1 VAL 6 -3.643 -0.425 2.863 58 HG21 VAL 6 1HG2 VAL 6 -0.627 -0.837 0.815 59 HG22 VAL 6 2HG2 VAL 6 -1.393 -2.136 1.727 60 HG23 VAL 6 3HG2 VAL 6 -1.247 -0.527 2.436 61 H CYS 7 HN CYS 7 -5.098 -2.763 -0.754 62 HA CYS 7 HA CYS 7 -6.518 -0.403 -1.689 63 HB2 CYS 7 2HB CYS 7 -7.082 -3.341 -2.156 64 HB3 CYS 7 1HB CYS 7 -8.184 -2.047 -2.609 65 H TYR 8 HN TYR 8 -7.477 0.480 -0.164 66 HA TYR 8 HA TYR 8 -8.513 -1.129 2.053 67 HB2 TYR 8 2HB TYR 8 -6.558 0.458 2.435 68 HB3 TYR 8 1HB TYR 8 -7.657 1.765 2.048 69 HD1 TYR 8 1HD TYR 8 -9.183 2.605 3.687 70 HD2 TYR 8 2HD TYR 8 -6.938 -0.920 4.456 71 HE1 TYR 8 1HE TYR 8 -9.821 2.718 6.056 72 HE2 TYR 8 2HE TYR 8 -7.563 -0.827 6.804 73 HH TYR 8 HH TYR 8 -8.297 0.793 8.430 74 H ARG 9 HN ARG 9 -10.601 -1.389 1.398 75 HA ARG 9 HA ARG 9 -12.790 -0.912 1.076 76 HB2 ARG 9 2HB ARG 9 -11.997 1.893 1.869 77 HB3 ARG 9 1HB ARG 9 -13.644 1.288 1.777 78 HG2 ARG 9 2HG ARG 9 -13.198 -0.271 3.571 79 HG3 ARG 9 1HG ARG 9 -11.513 0.243 3.622 80 HD2 ARG 9 2HD ARG 9 -12.183 2.483 4.202 81 HD3 ARG 9 1HD ARG 9 -13.883 2.025 4.121 82 HE ARG 9 HE ARG 9 -12.999 0.325 5.921 83 HH11 ARG 9 1HH1 ARG 9 -12.255 3.761 5.600 84 HH12 ARG 9 2HH1 ARG 9 -12.202 4.074 7.270 85 HH21 ARG 9 1HH2 ARG 9 -12.907 0.752 8.254 86 HH22 ARG 9 2HH2 ARG 9 -12.593 2.322 8.823 87 H GLY 10 HN GLY 10 -10.824 -0.629 -1.061 88 HA2 GLY 10 2HA GLY 10 -11.352 -0.353 -3.362 89 HA3 GLY 10 1HA GLY 10 -12.497 0.908 -2.911 90 H ILE 11 HN ILE 11 -10.163 1.797 -1.031 91 HA ILE 11 HA ILE 11 -9.049 3.640 -2.969 92 HB ILE 11 HB ILE 11 -8.543 3.436 0.025 93 HG12 ILE 11 2HG1 ILE 11 -10.908 3.927 -0.407 94 HG13 ILE 11 1HG1 ILE 11 -10.099 5.328 0.280 95 HG21 ILE 11 1HG2 ILE 11 -7.969 5.708 -1.871 96 HG22 ILE 11 2HG2 ILE 11 -6.774 4.605 -1.207 97 HG23 ILE 11 3HG2 ILE 11 -7.652 5.699 -0.134 98 HD11 ILE 11 1HD1 ILE 11 -10.819 4.923 -2.619 99 HD12 ILE 11 2HD1 ILE 11 -9.962 6.318 -1.965 100 HD13 ILE 11 3HD1 ILE 11 -11.625 5.992 -1.470 101 H CYS 12 HN CYS 12 -7.508 2.699 -4.167 102 HA CYS 12 HA CYS 12 -5.608 0.912 -2.866 103 HB2 CYS 12 2HB CYS 12 -6.138 1.407 -5.798 104 HB3 CYS 12 1HB CYS 12 -4.972 0.259 -5.147 105 H TYR 13 HN TYR 13 -3.808 1.683 -2.222 106 HA TYR 13 HA TYR 13 -2.501 3.788 -3.752 107 HB2 TYR 13 2HB TYR 13 -1.793 4.876 -1.622 108 HB3 TYR 13 1HB TYR 13 -3.523 4.923 -1.919 109 HD1 TYR 13 1HD TYR 13 -5.065 3.919 -0.412 110 HD2 TYR 13 2HD TYR 13 -0.893 3.345 0.147 111 HE1 TYR 13 1HE TYR 13 -5.507 3.037 1.821 112 HE2 TYR 13 2HE TYR 13 -1.314 2.455 2.399 113 HH TYR 13 HH TYR 13 -3.056 2.617 4.122 114 H ARG 14 HN ARG 14 -0.183 3.960 -3.255 115 HA ARG 14 HA ARG 14 0.921 1.284 -2.946 116 HB2 ARG 14 2HB ARG 14 1.555 2.681 -4.924 117 HB3 ARG 14 1HB ARG 14 2.273 3.848 -3.819 118 HG2 ARG 14 2HG ARG 14 3.775 2.006 -3.029 119 HG3 ARG 14 1HG ARG 14 3.161 1.034 -4.367 120 HD2 ARG 14 2HD ARG 14 4.592 3.680 -4.556 121 HD3 ARG 14 1HD ARG 14 5.240 2.104 -5.003 122 HE ARG 14 HE ARG 14 2.910 2.569 -6.476 123 HH11 ARG 14 1HH1 ARG 14 6.217 3.801 -6.251 124 HH12 ARG 14 2HH1 ARG 14 6.289 4.319 -7.870 125 HH21 ARG 14 1HH2 ARG 14 2.977 3.322 -8.663 126 HH22 ARG 14 2HH2 ARG 14 4.375 4.067 -9.283 127 H LYS 15 HN LYS 15 1.819 0.730 -1.097 128 HA LYS 15 HA LYS 15 2.738 2.857 0.698 129 HB2 LYS 15 2HB LYS 15 0.693 1.610 1.469 130 HB3 LYS 15 1HB LYS 15 1.641 0.136 1.440 131 HG2 LYS 15 2HG LYS 15 3.123 1.060 3.159 132 HG3 LYS 15 1HG LYS 15 2.155 2.535 3.192 133 HD2 LYS 15 2HD LYS 15 0.191 1.228 3.866 134 HD3 LYS 15 1HD LYS 15 1.161 -0.243 3.836 135 HE2 LYS 15 2HE LYS 15 2.634 0.769 5.559 136 HE3 LYS 15 1HE LYS 15 1.536 2.141 5.633 137 HZ1 LYS 15 1HZ LYS 15 -0.240 0.620 6.323 138 HZ2 LYS 15 2HZ LYS 15 1.043 0.581 7.390 139 HZ3 LYS 15 3HZ LYS 15 0.832 -0.674 6.288 140 H CYS 16 HN CYS 16 4.869 2.789 0.950 141 HA CYS 16 HA CYS 16 6.230 0.302 0.248 142 HB2 CYS 16 2HB CYS 16 7.338 3.107 0.390 143 HB3 CYS 16 1HB CYS 16 8.210 1.673 -0.143 144 H ARG 17 HN ARG 17 7.444 -0.730 1.673 145 HA ARG 17 HA ARG 17 7.964 0.513 4.257 146 HB2 ARG 17 2HB ARG 17 5.759 -0.728 4.349 147 HB3 ARG 17 1HB ARG 17 6.630 -2.200 3.974 148 HG2 ARG 17 2HG ARG 17 6.221 -2.160 6.315 149 HG3 ARG 17 1HG ARG 17 7.941 -1.873 6.056 150 HD2 ARG 17 2HD ARG 17 7.612 0.520 6.380 151 HD3 ARG 17 1HD ARG 17 5.876 0.269 6.569 152 HE ARG 17 HE ARG 17 7.663 -1.124 8.391 153 HH11 ARG 17 1HH1 ARG 17 5.402 1.582 7.918 154 HH12 ARG 17 2HH1 ARG 17 5.180 1.855 9.579 155 HH21 ARG 17 1HH2 ARG 17 7.330 -0.734 10.678 156 HH22 ARG 17 2HH2 ARG 17 6.275 0.507 11.177 157 HN1 NH2 18 1H ARG 17 8.113 -2.886 3.360 158 HN2 NH2 18 2H ARG 17 9.825 -2.996 3.247 Start of MODEL 18 1 H1 LYS 1 1HT LYS 1 13.402 -0.680 0.294 2 H2 LYS 1 2HT LYS 1 11.768 -1.118 0.327 3 H3 LYS 1 3HT LYS 1 12.309 0.025 -0.759 4 HA LYS 1 HA LYS 1 13.599 -1.485 -1.945 5 HB2 LYS 1 2HB LYS 1 12.554 -3.517 0.034 6 HB3 LYS 1 1HB LYS 1 13.352 -3.937 -1.464 7 HG2 LYS 1 2HG LYS 1 14.582 -2.372 0.795 8 HG3 LYS 1 1HG LYS 1 14.841 -4.083 0.474 9 HD2 LYS 1 2HD LYS 1 15.734 -3.452 -1.773 10 HD3 LYS 1 1HD LYS 1 15.617 -1.761 -1.286 11 HE2 LYS 1 2HE LYS 1 17.879 -2.526 -0.947 12 HE3 LYS 1 1HE LYS 1 17.117 -2.248 0.614 13 HZ1 LYS 1 1HZ LYS 1 16.760 -4.610 0.857 14 HZ2 LYS 1 2HZ LYS 1 18.381 -4.301 0.573 15 HZ3 LYS 1 3HZ LYS 1 17.414 -4.904 -0.672 16 H TRP 2 HN TRP 2 10.626 -3.119 -0.731 17 HA TRP 2 HA TRP 2 9.606 -2.699 -3.424 18 HB2 TRP 2 2HB TRP 2 9.048 -4.983 -1.535 19 HB3 TRP 2 1HB TRP 2 8.226 -4.735 -3.072 20 HD1 TRP 2 1HD TRP 2 9.889 -4.804 -5.305 21 HE1 TRP 2 1HE TRP 2 11.960 -6.283 -5.728 22 HE3 TRP 2 3HE TRP 2 10.916 -6.150 -0.490 23 HZ2 TRP 2 2HZ TRP 2 13.778 -7.817 -4.213 24 HZ3 TRP 2 3HZ TRP 2 12.833 -7.630 -0.058 25 HH2 TRP 2 2HH TRP 2 14.234 -8.444 -1.887 26 H CYS 3 HN CYS 3 7.583 -2.073 -3.746 27 HA CYS 3 HA CYS 3 6.207 -0.927 -1.439 28 HB2 CYS 3 2HB CYS 3 6.179 -0.201 -4.361 29 HB3 CYS 3 1HB CYS 3 5.140 0.520 -3.142 30 H PHE 4 HN PHE 4 4.202 -1.566 -1.034 31 HA PHE 4 HA PHE 4 2.987 -3.405 -2.937 32 HB2 PHE 4 2HB PHE 4 1.812 -4.417 -1.002 33 HB3 PHE 4 1HB PHE 4 3.551 -4.684 -0.988 34 HD1 PHE 4 1HD PHE 4 4.947 -3.293 0.628 35 HD2 PHE 4 2HD PHE 4 0.691 -3.412 0.787 36 HE1 PHE 4 1HE PHE 4 5.011 -2.461 2.936 37 HE2 PHE 4 2HE PHE 4 0.756 -2.582 3.088 38 HZ PHE 4 HZ PHE 4 2.909 -2.100 4.169 39 H ARG 5 HN ARG 5 0.734 -3.335 -3.121 40 HA ARG 5 HA ARG 5 -0.259 -0.655 -2.578 41 HB2 ARG 5 2HB ARG 5 -0.085 -1.365 -4.951 42 HB3 ARG 5 1HB ARG 5 -1.231 -2.656 -4.615 43 HG2 ARG 5 2HG ARG 5 -2.892 -0.946 -3.972 44 HG3 ARG 5 1HG ARG 5 -1.740 0.305 -4.443 45 HD2 ARG 5 2HD ARG 5 -3.256 -0.040 -6.256 46 HD3 ARG 5 1HD ARG 5 -1.689 -0.704 -6.720 47 HE ARG 5 HE ARG 5 -2.979 -2.840 -5.686 48 HH11 ARG 5 1HH1 ARG 5 -3.920 -0.488 -8.162 49 HH12 ARG 5 2HH1 ARG 5 -4.863 -1.599 -9.040 50 HH21 ARG 5 1HH2 ARG 5 -4.283 -4.360 -6.890 51 HH22 ARG 5 2HH2 ARG 5 -5.096 -3.839 -8.284 52 H VAL 6 HN VAL 6 -1.783 -0.477 -1.142 53 HA VAL 6 HA VAL 6 -3.145 -2.886 -0.195 54 HB VAL 6 HB VAL 6 -2.976 -0.136 1.085 55 HG11 VAL 6 1HG1 VAL 6 -5.017 -1.364 1.724 56 HG12 VAL 6 2HG1 VAL 6 -3.916 -1.172 3.072 57 HG13 VAL 6 3HG1 VAL 6 -4.026 -2.725 2.255 58 HG21 VAL 6 1HG2 VAL 6 -0.809 -1.227 1.087 59 HG22 VAL 6 2HG2 VAL 6 -1.524 -2.675 1.799 60 HG23 VAL 6 3HG2 VAL 6 -1.477 -1.173 2.717 61 H CYS 7 HN CYS 7 -5.228 -3.100 -0.675 62 HA CYS 7 HA CYS 7 -6.609 -0.771 -1.767 63 HB2 CYS 7 2HB CYS 7 -7.015 -3.724 -2.245 64 HB3 CYS 7 1HB CYS 7 -8.178 -2.505 -2.746 65 H TYR 8 HN TYR 8 -7.780 0.174 -0.321 66 HA TYR 8 HA TYR 8 -9.274 -1.516 1.543 67 HB2 TYR 8 2HB TYR 8 -7.182 -0.252 2.444 68 HB3 TYR 8 1HB TYR 8 -8.176 1.184 2.265 69 HD1 TYR 8 1HD TYR 8 -7.407 -1.611 4.340 70 HD2 TYR 8 2HD TYR 8 -10.443 1.253 3.529 71 HE1 TYR 8 1HE TYR 8 -8.407 -2.095 6.479 72 HE2 TYR 8 2HE TYR 8 -11.471 0.786 5.688 73 HH TYR 8 HH TYR 8 -9.959 -1.048 8.127 74 H ARG 9 HN ARG 9 -11.339 -1.124 1.342 75 HA ARG 9 HA ARG 9 -13.324 -0.316 0.731 76 HB2 ARG 9 2HB ARG 9 -13.970 1.911 1.556 77 HB3 ARG 9 1HB ARG 9 -13.014 1.025 2.714 78 HG2 ARG 9 2HG ARG 9 -11.060 2.430 2.140 79 HG3 ARG 9 1HG ARG 9 -12.068 3.292 0.991 80 HD2 ARG 9 2HD ARG 9 -11.776 4.359 3.259 81 HD3 ARG 9 1HD ARG 9 -13.428 4.214 2.660 82 HE ARG 9 HE ARG 9 -13.635 2.242 4.092 83 HH11 ARG 9 1HH1 ARG 9 -11.046 4.511 4.960 84 HH12 ARG 9 2HH1 ARG 9 -11.170 4.187 6.630 85 HH21 ARG 9 1HH2 ARG 9 -13.757 1.825 6.410 86 HH22 ARG 9 2HH2 ARG 9 -12.704 2.636 7.457 87 H GLY 10 HN GLY 10 -11.402 -0.357 -1.370 88 HA2 GLY 10 2HA GLY 10 -11.933 -0.044 -3.656 89 HA3 GLY 10 1HA GLY 10 -12.877 1.376 -3.213 90 H ILE 11 HN ILE 11 -10.351 1.879 -1.414 91 HA ILE 11 HA ILE 11 -9.040 3.552 -3.402 92 HB ILE 11 HB ILE 11 -8.774 3.516 -0.382 93 HG12 ILE 11 2HG1 ILE 11 -11.059 4.147 -1.050 94 HG13 ILE 11 1HG1 ILE 11 -10.202 5.505 -0.338 95 HG21 ILE 11 1HG2 ILE 11 -7.745 5.733 -0.656 96 HG22 ILE 11 2HG2 ILE 11 -7.837 5.544 -2.407 97 HG23 ILE 11 3HG2 ILE 11 -6.824 4.457 -1.453 98 HD11 ILE 11 1HD1 ILE 11 -11.529 6.195 -2.248 99 HD12 ILE 11 2HD1 ILE 11 -10.682 5.038 -3.274 100 HD13 ILE 11 3HD1 ILE 11 -9.810 6.406 -2.581 101 H CYS 12 HN CYS 12 -7.410 2.487 -4.346 102 HA CYS 12 HA CYS 12 -5.769 0.729 -2.695 103 HB2 CYS 12 2HB CYS 12 -5.831 1.084 -5.701 104 HB3 CYS 12 1HB CYS 12 -4.804 -0.048 -4.830 105 H TYR 13 HN TYR 13 -3.994 1.481 -1.884 106 HA TYR 13 HA TYR 13 -2.648 3.715 -3.217 107 HB2 TYR 13 2HB TYR 13 -2.183 4.685 -0.983 108 HB3 TYR 13 1HB TYR 13 -3.901 4.622 -1.361 109 HD1 TYR 13 1HD TYR 13 -5.386 3.107 -0.137 110 HD2 TYR 13 2HD TYR 13 -1.242 3.346 0.791 111 HE1 TYR 13 1HE TYR 13 -5.803 1.957 1.967 112 HE2 TYR 13 2HE TYR 13 -1.637 2.207 2.897 113 HH TYR 13 HH TYR 13 -3.504 1.831 4.449 114 H ARG 14 HN ARG 14 -0.376 3.967 -2.239 115 HA ARG 14 HA ARG 14 0.771 1.276 -2.158 116 HB2 ARG 14 2HB ARG 14 1.426 2.259 -4.176 117 HB3 ARG 14 1HB ARG 14 1.711 3.821 -3.425 118 HG2 ARG 14 2HG ARG 14 3.636 2.880 -2.238 119 HG3 ARG 14 1HG ARG 14 3.334 1.337 -3.033 120 HD2 ARG 14 2HD ARG 14 3.794 3.866 -4.575 121 HD3 ARG 14 1HD ARG 14 5.129 2.860 -4.023 122 HE ARG 14 HE ARG 14 3.266 1.265 -5.371 123 HH11 ARG 14 1HH1 ARG 14 5.609 3.821 -6.045 124 HH12 ARG 14 2HH1 ARG 14 6.020 3.223 -7.585 125 HH21 ARG 14 1HH2 ARG 14 3.862 0.438 -7.500 126 HH22 ARG 14 2HH2 ARG 14 5.011 1.290 -8.426 127 H LYS 15 HN LYS 15 1.973 0.680 -0.496 128 HA LYS 15 HA LYS 15 3.064 2.751 1.275 129 HB2 LYS 15 2HB LYS 15 2.328 -0.114 1.971 130 HB3 LYS 15 1HB LYS 15 3.054 1.046 3.071 131 HG2 LYS 15 2HG LYS 15 1.025 2.461 2.841 132 HG3 LYS 15 1HG LYS 15 0.306 1.203 1.838 133 HD2 LYS 15 2HD LYS 15 -0.533 0.969 4.112 134 HD3 LYS 15 1HD LYS 15 0.536 -0.382 3.750 135 HE2 LYS 15 2HE LYS 15 2.335 0.649 4.965 136 HE3 LYS 15 1HE LYS 15 1.376 2.104 5.243 137 HZ1 LYS 15 1HZ LYS 15 -0.143 0.732 6.574 138 HZ2 LYS 15 2HZ LYS 15 1.416 0.716 7.183 139 HZ3 LYS 15 3HZ LYS 15 0.845 -0.618 6.336 140 H CYS 16 HN CYS 16 5.291 2.542 1.792 141 HA CYS 16 HA CYS 16 6.743 0.420 0.370 142 HB2 CYS 16 2HB CYS 16 7.403 3.357 0.284 143 HB3 CYS 16 1HB CYS 16 8.354 2.065 -0.424 144 H ARG 17 HN ARG 17 8.616 -0.227 1.349 145 HA ARG 17 HA ARG 17 9.464 1.187 3.765 146 HB2 ARG 17 2HB ARG 17 9.108 -1.788 3.401 147 HB3 ARG 17 1HB ARG 17 10.126 -1.120 4.661 148 HG2 ARG 17 2HG ARG 17 7.168 -0.639 4.344 149 HG3 ARG 17 1HG ARG 17 7.925 -1.730 5.509 150 HD2 ARG 17 2HD ARG 17 9.136 0.241 6.459 151 HD3 ARG 17 1HD ARG 17 8.198 1.280 5.385 152 HE ARG 17 HE ARG 17 6.563 -0.432 6.932 153 HH11 ARG 17 1HH1 ARG 17 8.386 2.623 7.132 154 HH12 ARG 17 2HH1 ARG 17 7.419 3.259 8.371 155 HH21 ARG 17 1HH2 ARG 17 5.288 0.459 8.667 156 HH22 ARG 17 2HH2 ARG 17 5.644 2.004 9.274 157 HN1 NH2 18 1H ARG 17 11.138 2.180 2.812 158 HN2 NH2 18 2H ARG 17 12.469 1.365 2.088 Start of MODEL 19 1 H1 LYS 1 1HT LYS 1 13.532 0.846 -4.064 2 H2 LYS 1 2HT LYS 1 12.581 -0.255 -4.962 3 H3 LYS 1 3HT LYS 1 13.400 -0.776 -3.602 4 HA LYS 1 HA LYS 1 12.089 0.492 -2.179 5 HB2 LYS 1 2HB LYS 1 10.083 1.693 -3.105 6 HB3 LYS 1 1HB LYS 1 11.617 2.445 -3.510 7 HG2 LYS 1 2HG LYS 1 11.495 1.475 -5.755 8 HG3 LYS 1 1HG LYS 1 9.958 0.710 -5.341 9 HD2 LYS 1 2HD LYS 1 8.944 2.891 -5.011 10 HD3 LYS 1 1HD LYS 1 10.490 3.680 -5.324 11 HE2 LYS 1 2HE LYS 1 9.073 3.780 -7.295 12 HE3 LYS 1 1HE LYS 1 10.486 2.778 -7.599 13 HZ1 LYS 1 1HZ LYS 1 8.521 1.768 -8.492 14 HZ2 LYS 1 2HZ LYS 1 7.735 1.766 -7.019 15 HZ3 LYS 1 3HZ LYS 1 9.104 0.803 -7.258 16 H TRP 2 HN TRP 2 10.903 -0.951 -1.153 17 HA TRP 2 HA TRP 2 9.401 -2.820 -2.804 18 HB2 TRP 2 2HB TRP 2 10.598 -3.217 -0.058 19 HB3 TRP 2 1HB TRP 2 9.440 -4.332 -0.772 20 HD1 TRP 2 1HD TRP 2 10.325 -5.203 -3.373 21 HE1 TRP 2 1HE TRP 2 12.651 -6.133 -3.959 22 HE3 TRP 2 3HE TRP 2 12.968 -3.260 0.539 23 HZ2 TRP 2 2HZ TRP 2 15.260 -6.067 -2.877 24 HZ3 TRP 2 3HZ TRP 2 15.375 -3.748 0.695 25 HH2 TRP 2 2HH TRP 2 16.491 -5.122 -0.985 26 H CYS 3 HN CYS 3 7.407 -2.322 -2.936 27 HA CYS 3 HA CYS 3 5.995 -1.301 -0.592 28 HB2 CYS 3 2HB CYS 3 5.646 -0.284 -3.417 29 HB3 CYS 3 1HB CYS 3 4.916 0.356 -1.951 30 H PHE 4 HN PHE 4 3.921 -2.086 -0.481 31 HA PHE 4 HA PHE 4 3.146 -3.902 -2.623 32 HB2 PHE 4 2HB PHE 4 1.746 -5.030 -0.843 33 HB3 PHE 4 1HB PHE 4 3.478 -5.365 -0.792 34 HD1 PHE 4 1HD PHE 4 4.853 -4.147 0.973 35 HD2 PHE 4 2HD PHE 4 0.598 -4.142 0.974 36 HE1 PHE 4 1HE PHE 4 4.857 -3.484 3.338 37 HE2 PHE 4 2HE PHE 4 0.605 -3.473 3.337 38 HZ PHE 4 HZ PHE 4 2.729 -3.148 4.516 39 H ARG 5 HN ARG 5 0.988 -3.940 -3.219 40 HA ARG 5 HA ARG 5 -0.147 -1.328 -2.834 41 HB2 ARG 5 2HB ARG 5 0.150 -2.317 -5.115 42 HB3 ARG 5 1HB ARG 5 -1.063 -3.517 -4.694 43 HG2 ARG 5 2HG ARG 5 -2.707 -1.722 -4.385 44 HG3 ARG 5 1HG ARG 5 -1.486 -0.543 -4.863 45 HD2 ARG 5 2HD ARG 5 -1.250 -1.784 -7.017 46 HD3 ARG 5 1HD ARG 5 -2.627 -2.772 -6.531 47 HE ARG 5 HE ARG 5 -2.787 0.151 -6.824 48 HH11 ARG 5 1HH1 ARG 5 -4.189 -3.044 -7.400 49 HH12 ARG 5 2HH1 ARG 5 -5.498 -2.424 -8.311 50 HH21 ARG 5 1HH2 ARG 5 -4.573 0.949 -8.027 51 HH22 ARG 5 2HH2 ARG 5 -5.752 -0.107 -8.640 52 H VAL 6 HN VAL 6 -1.734 -0.993 -1.502 53 HA VAL 6 HA VAL 6 -3.301 -3.293 -0.542 54 HB VAL 6 HB VAL 6 -2.820 -0.652 0.877 55 HG11 VAL 6 1HG1 VAL 6 -4.079 -3.199 1.872 56 HG12 VAL 6 2HG1 VAL 6 -4.937 -1.707 1.496 57 HG13 VAL 6 3HG1 VAL 6 -3.803 -1.752 2.840 58 HG21 VAL 6 1HG2 VAL 6 -1.573 -3.339 1.426 59 HG22 VAL 6 2HG2 VAL 6 -1.365 -1.885 2.407 60 HG23 VAL 6 3HG2 VAL 6 -0.751 -1.933 0.755 61 H CYS 7 HN CYS 7 -5.434 -3.200 -0.934 62 HA CYS 7 HA CYS 7 -6.520 -0.651 -1.837 63 HB2 CYS 7 2HB CYS 7 -7.376 -3.481 -2.471 64 HB3 CYS 7 1HB CYS 7 -8.330 -2.059 -2.880 65 H TYR 8 HN TYR 8 -7.489 0.327 -0.287 66 HA TYR 8 HA TYR 8 -9.059 -1.281 1.599 67 HB2 TYR 8 2HB TYR 8 -6.874 -0.158 2.430 68 HB3 TYR 8 1HB TYR 8 -7.754 1.352 2.250 69 HD1 TYR 8 1HD TYR 8 -10.068 1.492 3.566 70 HD2 TYR 8 2HD TYR 8 -6.977 -1.317 4.400 71 HE1 TYR 8 1HE TYR 8 -10.959 1.183 5.823 72 HE2 TYR 8 2HE TYR 8 -7.845 -1.640 6.624 73 HH TYR 8 HH TYR 8 -9.237 -0.383 8.270 74 H ARG 9 HN ARG 9 -11.111 -0.816 1.319 75 HA ARG 9 HA ARG 9 -13.084 0.124 0.813 76 HB2 ARG 9 2HB ARG 9 -13.627 2.330 1.713 77 HB3 ARG 9 1HB ARG 9 -12.639 1.438 2.841 78 HG2 ARG 9 2HG ARG 9 -10.710 2.800 2.284 79 HG3 ARG 9 1HG ARG 9 -11.620 3.582 1.004 80 HD2 ARG 9 2HD ARG 9 -12.483 3.676 3.872 81 HD3 ARG 9 1HD ARG 9 -11.388 4.851 3.144 82 HE ARG 9 HE ARG 9 -13.468 4.842 1.442 83 HH11 ARG 9 1HH1 ARG 9 -13.326 5.274 4.955 84 HH12 ARG 9 2HH1 ARG 9 -14.640 6.338 5.019 85 HH21 ARG 9 1HH2 ARG 9 -15.230 6.299 1.500 86 HH22 ARG 9 2HH2 ARG 9 -15.791 6.935 2.969 87 H GLY 10 HN GLY 10 -11.117 0.128 -1.313 88 HA2 GLY 10 2HA GLY 10 -11.618 0.575 -3.591 89 HA3 GLY 10 1HA GLY 10 -12.535 1.986 -3.082 90 H ILE 11 HN ILE 11 -9.885 2.174 -1.272 91 HA ILE 11 HA ILE 11 -8.494 3.872 -3.192 92 HB ILE 11 HB ILE 11 -8.258 3.715 -0.176 93 HG12 ILE 11 2HG1 ILE 11 -10.456 4.533 -0.893 94 HG13 ILE 11 1HG1 ILE 11 -9.524 5.784 -0.089 95 HG21 ILE 11 1HG2 ILE 11 -6.210 4.524 -1.219 96 HG22 ILE 11 2HG2 ILE 11 -7.026 5.844 -0.375 97 HG23 ILE 11 3HG2 ILE 11 -7.129 5.722 -2.129 98 HD11 ILE 11 1HD1 ILE 11 -9.928 5.489 -3.066 99 HD12 ILE 11 2HD1 ILE 11 -8.993 6.762 -2.283 100 HD13 ILE 11 3HD1 ILE 11 -10.734 6.657 -2.021 101 H CYS 12 HN CYS 12 -6.982 2.731 -4.192 102 HA CYS 12 HA CYS 12 -5.457 0.761 -2.695 103 HB2 CYS 12 2HB CYS 12 -5.565 1.319 -5.665 104 HB3 CYS 12 1HB CYS 12 -4.672 0.013 -4.897 105 H TYR 13 HN TYR 13 -3.501 1.190 -2.074 106 HA TYR 13 HA TYR 13 -2.056 3.406 -3.308 107 HB2 TYR 13 2HB TYR 13 -1.277 4.076 -1.019 108 HB3 TYR 13 1HB TYR 13 -2.985 4.364 -1.319 109 HD1 TYR 13 1HD TYR 13 -0.550 2.377 0.611 110 HD2 TYR 13 2HD TYR 13 -4.686 3.084 -0.145 111 HE1 TYR 13 1HE TYR 13 -1.141 1.143 2.637 112 HE2 TYR 13 2HE TYR 13 -5.267 1.842 1.885 113 HH TYR 13 HH TYR 13 -2.935 0.998 4.193 114 H ARG 14 HN ARG 14 0.269 3.338 -2.719 115 HA ARG 14 HA ARG 14 1.200 0.558 -2.625 116 HB2 ARG 14 2HB ARG 14 2.764 3.044 -3.353 117 HB3 ARG 14 1HB ARG 14 3.276 1.379 -3.557 118 HG2 ARG 14 2HG ARG 14 1.007 2.692 -5.021 119 HG3 ARG 14 1HG ARG 14 2.627 2.448 -5.665 120 HD2 ARG 14 2HD ARG 14 2.342 0.041 -5.482 121 HD3 ARG 14 1HD ARG 14 0.734 0.272 -4.791 122 HE ARG 14 HE ARG 14 0.452 1.585 -7.032 123 HH11 ARG 14 1HH1 ARG 14 2.020 -1.567 -6.545 124 HH12 ARG 14 2HH1 ARG 14 1.621 -2.163 -8.070 125 HH21 ARG 14 1HH2 ARG 14 -0.115 0.732 -9.173 126 HH22 ARG 14 2HH2 ARG 14 0.362 -0.831 -9.600 127 H LYS 15 HN LYS 15 1.498 0.037 -0.558 128 HA LYS 15 HA LYS 15 2.406 2.056 1.301 129 HB2 LYS 15 2HB LYS 15 0.607 0.381 1.876 130 HB3 LYS 15 1HB LYS 15 1.851 -0.860 1.833 131 HG2 LYS 15 2HG LYS 15 3.071 0.254 3.602 132 HG3 LYS 15 1HG LYS 15 1.873 1.547 3.622 133 HD2 LYS 15 2HD LYS 15 0.158 -0.087 4.258 134 HD3 LYS 15 1HD LYS 15 1.393 -1.346 4.293 135 HE2 LYS 15 2HE LYS 15 1.356 1.153 5.968 136 HE3 LYS 15 1HE LYS 15 0.935 -0.461 6.551 137 HZ1 LYS 15 1HZ LYS 15 3.615 0.471 5.622 138 HZ2 LYS 15 2HZ LYS 15 3.260 -1.128 6.046 139 HZ3 LYS 15 3HZ LYS 15 3.160 0.074 7.190 140 H CYS 16 HN CYS 16 4.463 2.397 1.506 141 HA CYS 16 HA CYS 16 6.343 0.357 0.605 142 HB2 CYS 16 2HB CYS 16 6.709 3.320 1.060 143 HB3 CYS 16 1HB CYS 16 7.970 2.221 0.509 144 H ARG 17 HN ARG 17 8.146 -0.186 1.845 145 HA ARG 17 HA ARG 17 7.619 0.053 4.705 146 HB2 ARG 17 2HB ARG 17 9.602 -1.715 3.289 147 HB3 ARG 17 1HB ARG 17 9.126 -1.830 4.977 148 HG2 ARG 17 2HG ARG 17 6.864 -2.475 4.270 149 HG3 ARG 17 1HG ARG 17 7.372 -2.364 2.584 150 HD2 ARG 17 2HD ARG 17 8.364 -4.283 4.685 151 HD3 ARG 17 1HD ARG 17 7.482 -4.660 3.202 152 HE ARG 17 HE ARG 17 10.069 -3.357 2.939 153 HH11 ARG 17 1HH1 ARG 17 8.213 -6.351 2.509 154 HH12 ARG 17 2HH1 ARG 17 9.518 -7.165 1.781 155 HH21 ARG 17 1HH2 ARG 17 11.775 -4.468 1.974 156 HH22 ARG 17 2HH2 ARG 17 11.566 -6.074 1.443 157 HN1 NH2 18 1H ARG 17 10.716 -0.324 3.039 158 HN2 NH2 18 2H ARG 17 11.466 1.051 3.763 Start of MODEL 20 1 H1 LYS 1 1HT LYS 1 14.255 -0.987 0.657 2 H2 LYS 1 2HT LYS 1 14.144 -1.615 -0.922 3 H3 LYS 1 3HT LYS 1 13.347 -2.370 0.347 4 HA LYS 1 HA LYS 1 11.903 -0.633 0.679 5 HB2 LYS 1 2HB LYS 1 11.924 1.330 -0.939 6 HB3 LYS 1 1HB LYS 1 13.187 1.306 0.277 7 HG2 LYS 1 2HG LYS 1 14.718 0.330 -1.482 8 HG3 LYS 1 1HG LYS 1 13.439 0.642 -2.651 9 HD2 LYS 1 2HD LYS 1 14.653 2.764 -0.883 10 HD3 LYS 1 1HD LYS 1 15.209 2.425 -2.517 11 HE2 LYS 1 2HE LYS 1 12.392 3.219 -1.799 12 HE3 LYS 1 1HE LYS 1 13.632 4.350 -2.333 13 HZ1 LYS 1 1HZ LYS 1 12.233 3.690 -4.159 14 HZ2 LYS 1 2HZ LYS 1 12.554 2.066 -3.924 15 HZ3 LYS 1 3HZ LYS 1 13.790 3.118 -4.401 16 H TRP 2 HN TRP 2 10.455 -2.109 0.214 17 HA TRP 2 HA TRP 2 9.889 -2.700 -2.594 18 HB2 TRP 2 2HB TRP 2 10.333 -4.623 -1.083 19 HB3 TRP 2 1HB TRP 2 8.995 -4.104 -0.064 20 HD1 TRP 2 1HD TRP 2 6.704 -5.047 -0.648 21 HE1 TRP 2 1HE TRP 2 5.715 -6.444 -2.598 22 HE3 TRP 2 3HE TRP 2 10.681 -4.908 -3.805 23 HZ2 TRP 2 2HZ TRP 2 6.551 -7.335 -5.147 24 HZ3 TRP 2 3HZ TRP 2 10.518 -6.042 -5.974 25 HH2 TRP 2 2HH TRP 2 8.489 -7.230 -6.623 26 H CYS 3 HN CYS 3 7.897 -2.274 -3.439 27 HA CYS 3 HA CYS 3 6.087 -0.753 -1.731 28 HB2 CYS 3 2HB CYS 3 6.696 -0.383 -4.665 29 HB3 CYS 3 1HB CYS 3 5.416 0.455 -3.797 30 H PHE 4 HN PHE 4 4.092 -1.480 -1.594 31 HA PHE 4 HA PHE 4 3.213 -3.472 -3.523 32 HB2 PHE 4 2HB PHE 4 1.999 -4.490 -1.531 33 HB3 PHE 4 1HB PHE 4 3.738 -4.794 -1.638 34 HD1 PHE 4 1HD PHE 4 5.273 -3.593 -0.087 35 HD2 PHE 4 2HD PHE 4 1.048 -3.287 0.293 36 HE1 PHE 4 1HE PHE 4 5.546 -2.690 2.185 37 HE2 PHE 4 2HE PHE 4 1.318 -2.387 2.559 38 HZ PHE 4 HZ PHE 4 3.567 -2.083 3.508 39 H ARG 5 HN ARG 5 0.979 -3.517 -3.864 40 HA ARG 5 HA ARG 5 -0.241 -0.956 -3.434 41 HB2 ARG 5 2HB ARG 5 -0.524 -1.876 -5.647 42 HB3 ARG 5 1HB ARG 5 -1.161 -3.378 -5.000 43 HG2 ARG 5 2HG ARG 5 -3.158 -2.186 -4.210 44 HG3 ARG 5 1HG ARG 5 -2.507 -0.684 -4.855 45 HD2 ARG 5 2HD ARG 5 -3.035 -3.121 -6.548 46 HD3 ARG 5 1HD ARG 5 -4.222 -1.843 -6.302 47 HE ARG 5 HE ARG 5 -1.824 -0.700 -7.161 48 HH11 ARG 5 1HH1 ARG 5 -4.339 -2.836 -8.476 49 HH12 ARG 5 2HH1 ARG 5 -4.236 -2.199 -10.046 50 HH21 ARG 5 1HH2 ARG 5 -1.688 0.144 -9.412 51 HH22 ARG 5 2HH2 ARG 5 -2.738 -0.523 -10.571 52 H VAL 6 HN VAL 6 -1.745 -0.487 -2.007 53 HA VAL 6 HA VAL 6 -2.958 -2.673 -0.488 54 HB VAL 6 HB VAL 6 -2.261 0.129 0.474 55 HG11 VAL 6 1HG1 VAL 6 -3.524 -2.167 1.979 56 HG12 VAL 6 2HG1 VAL 6 -4.334 -0.681 1.487 57 HG13 VAL 6 3HG1 VAL 6 -3.034 -0.623 2.679 58 HG21 VAL 6 1HG2 VAL 6 -0.303 -1.299 0.322 59 HG22 VAL 6 2HG2 VAL 6 -1.121 -2.539 1.274 60 HG23 VAL 6 3HG2 VAL 6 -0.723 -0.985 2.005 61 H CYS 7 HN CYS 7 -5.060 -2.716 -0.681 62 HA CYS 7 HA CYS 7 -6.404 -0.300 -1.588 63 HB2 CYS 7 2HB CYS 7 -7.289 -3.196 -1.744 64 HB3 CYS 7 1HB CYS 7 -8.246 -1.819 -2.279 65 H TYR 8 HN TYR 8 -7.126 0.752 -0.044 66 HA TYR 8 HA TYR 8 -7.916 -0.601 2.425 67 HB2 TYR 8 2HB TYR 8 -5.957 1.042 2.354 68 HB3 TYR 8 1HB TYR 8 -7.156 2.283 2.050 69 HD1 TYR 8 1HD TYR 8 -6.059 -0.241 4.501 70 HD2 TYR 8 2HD TYR 8 -8.389 3.247 3.837 71 HE1 TYR 8 1HE TYR 8 -6.337 0.014 6.909 72 HE2 TYR 8 2HE TYR 8 -8.682 3.518 6.259 73 HH TYR 8 HH TYR 8 -6.803 1.839 8.480 74 H ARG 9 HN ARG 9 -10.005 -0.935 2.113 75 HA ARG 9 HA ARG 9 -12.208 -0.578 2.073 76 HB2 ARG 9 2HB ARG 9 -11.458 2.301 2.573 77 HB3 ARG 9 1HB ARG 9 -13.082 1.655 2.729 78 HG2 ARG 9 2HG ARG 9 -12.244 0.120 4.506 79 HG3 ARG 9 1HG ARG 9 -10.673 0.897 4.366 80 HD2 ARG 9 2HD ARG 9 -13.238 2.289 5.096 81 HD3 ARG 9 1HD ARG 9 -11.984 1.798 6.233 82 HE ARG 9 HE ARG 9 -10.944 3.427 4.156 83 HH11 ARG 9 1HH1 ARG 9 -12.812 3.642 7.129 84 HH12 ARG 9 2HH1 ARG 9 -12.268 5.199 7.549 85 HH21 ARG 9 1HH2 ARG 9 -10.179 5.563 4.691 86 HH22 ARG 9 2HH2 ARG 9 -10.725 6.321 6.112 87 H GLY 10 HN GLY 10 -10.708 -0.517 -0.357 88 HA2 GLY 10 2HA GLY 10 -11.650 -0.521 -2.527 89 HA3 GLY 10 1HA GLY 10 -12.690 0.813 -2.050 90 H ILE 11 HN ILE 11 -9.940 1.819 -0.811 91 HA ILE 11 HA ILE 11 -9.237 3.351 -3.202 92 HB ILE 11 HB ILE 11 -8.339 3.708 -0.324 93 HG12 ILE 11 2HG1 ILE 11 -10.758 4.029 -0.495 94 HG13 ILE 11 1HG1 ILE 11 -9.950 5.557 -0.185 95 HG21 ILE 11 1HG2 ILE 11 -8.114 5.577 -2.678 96 HG22 ILE 11 2HG2 ILE 11 -6.792 4.698 -1.916 97 HG23 ILE 11 3HG2 ILE 11 -7.646 5.957 -1.021 98 HD11 ILE 11 1HD1 ILE 11 -10.192 6.141 -2.554 99 HD12 ILE 11 2HD1 ILE 11 -11.750 5.826 -1.786 100 HD13 ILE 11 3HD1 ILE 11 -11.025 4.613 -2.839 101 H CYS 12 HN CYS 12 -7.618 2.478 -4.400 102 HA CYS 12 HA CYS 12 -5.666 0.786 -3.039 103 HB2 CYS 12 2HB CYS 12 -6.338 1.030 -5.968 104 HB3 CYS 12 1HB CYS 12 -5.138 -0.067 -5.289 105 H TYR 13 HN TYR 13 -3.715 1.439 -2.703 106 HA TYR 13 HA TYR 13 -2.469 3.424 -4.437 107 HB2 TYR 13 2HB TYR 13 -1.689 4.709 -2.441 108 HB3 TYR 13 1HB TYR 13 -3.431 4.756 -2.682 109 HD1 TYR 13 1HD TYR 13 -0.723 3.471 -0.475 110 HD2 TYR 13 2HD TYR 13 -4.941 3.770 -1.087 111 HE1 TYR 13 1HE TYR 13 -1.110 2.797 1.824 112 HE2 TYR 13 2HE TYR 13 -5.315 3.085 1.224 113 HH TYR 13 HH TYR 13 -2.882 3.078 3.501 114 H ARG 14 HN ARG 14 -0.106 3.578 -3.898 115 HA ARG 14 HA ARG 14 0.864 0.936 -3.170 116 HB2 ARG 14 2HB ARG 14 2.388 3.334 -4.184 117 HB3 ARG 14 1HB ARG 14 3.104 1.787 -3.792 118 HG2 ARG 14 2HG ARG 14 1.711 0.760 -5.564 119 HG3 ARG 14 1HG ARG 14 1.158 2.379 -6.002 120 HD2 ARG 14 2HD ARG 14 4.000 1.388 -6.019 121 HD3 ARG 14 1HD ARG 14 3.002 1.725 -7.434 122 HE ARG 14 HE ARG 14 2.959 4.084 -6.265 123 HH11 ARG 14 1HH1 ARG 14 5.736 1.956 -6.838 124 HH12 ARG 14 2HH1 ARG 14 6.866 3.233 -6.817 125 HH21 ARG 14 1HH2 ARG 14 4.514 5.803 -6.222 126 HH22 ARG 14 2HH2 ARG 14 6.169 5.438 -6.453 127 H LYS 15 HN LYS 15 1.898 0.503 -1.398 128 HA LYS 15 HA LYS 15 2.594 2.695 0.384 129 HB2 LYS 15 2HB LYS 15 0.544 1.404 1.077 130 HB3 LYS 15 1HB LYS 15 1.538 -0.038 1.127 131 HG2 LYS 15 2HG LYS 15 2.839 0.870 2.943 132 HG3 LYS 15 1HG LYS 15 1.964 2.402 2.840 133 HD2 LYS 15 2HD LYS 15 -0.124 1.254 3.377 134 HD3 LYS 15 1HD LYS 15 0.730 -0.277 3.463 135 HE2 LYS 15 2HE LYS 15 2.077 0.594 5.328 136 HE3 LYS 15 1HE LYS 15 1.210 2.122 5.227 137 HZ1 LYS 15 1HZ LYS 15 -0.018 -0.509 5.862 138 HZ2 LYS 15 2HZ LYS 15 -0.845 0.958 5.835 139 HZ3 LYS 15 3HZ LYS 15 0.334 0.676 6.993 140 H CYS 16 HN CYS 16 4.712 2.656 0.747 141 HA CYS 16 HA CYS 16 6.131 0.207 0.006 142 HB2 CYS 16 2HB CYS 16 7.233 3.023 0.234 143 HB3 CYS 16 1HB CYS 16 8.064 1.613 -0.411 144 H ARG 17 HN ARG 17 7.449 -0.775 1.417 145 HA ARG 17 HA ARG 17 8.440 -1.395 3.333 146 HB2 ARG 17 2HB ARG 17 8.281 1.542 4.038 147 HB3 ARG 17 1HB ARG 17 9.140 0.344 4.995 148 HG2 ARG 17 2HG ARG 17 10.745 -0.008 3.299 149 HG3 ARG 17 1HG ARG 17 9.760 0.833 2.099 150 HD2 ARG 17 2HD ARG 17 10.994 2.109 4.530 151 HD3 ARG 17 1HD ARG 17 11.650 2.194 2.890 152 HE ARG 17 HE ARG 17 9.009 3.009 2.799 153 HH11 ARG 17 1HH1 ARG 17 12.024 4.216 4.235 154 HH12 ARG 17 2HH1 ARG 17 11.585 5.841 4.061 155 HH21 ARG 17 1HH2 ARG 17 8.438 5.264 2.581 156 HH22 ARG 17 2HH2 ARG 17 9.513 6.446 3.125 157 HN1 NH2 18 1H ARG 17 6.652 1.061 5.048 158 HN2 NH2 18 2H ARG 17 5.557 -0.032 5.824
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