NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
641525 | 6pi2 | 30617 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 1HT ARG 1 14.654 1.553 -1.061 2 H2 ARG 1 2HT ARG 1 13.554 2.741 -1.581 3 H3 ARG 1 3HT ARG 1 14.019 1.520 -2.621 4 HA ARG 1 HA ARG 1 12.907 -0.123 -1.338 5 HB2 ARG 1 2HB ARG 1 13.273 1.013 0.855 6 HB3 ARG 1 1HB ARG 1 12.095 2.228 0.387 7 HG2 ARG 1 2HG ARG 1 10.377 0.454 0.277 8 HG3 ARG 1 1HG ARG 1 11.579 -0.699 0.867 9 HD2 ARG 1 2HD ARG 1 10.636 1.780 2.306 10 HD3 ARG 1 1HD ARG 1 10.174 0.130 2.687 11 HE ARG 1 HE ARG 1 12.702 -0.159 3.006 12 HH11 ARG 1 1HH1 ARG 1 10.968 2.829 3.814 13 HH12 ARG 1 2HH1 ARG 1 11.924 3.152 5.191 14 HH21 ARG 1 1HH2 ARG 1 13.996 0.324 4.881 15 HH22 ARG 1 2HH2 ARG 1 13.665 1.708 5.810 16 H TRP 2 HN TRP 2 11.286 -0.567 -2.751 17 HA TRP 2 HA TRP 2 9.844 1.648 -3.884 18 HB2 TRP 2 2HB TRP 2 10.611 -0.157 -5.363 19 HB3 TRP 2 1HB TRP 2 9.637 -1.314 -4.466 20 HD1 TRP 2 1HD TRP 2 8.863 2.061 -6.260 21 HE1 TRP 2 1HE TRP 2 6.707 1.745 -7.635 22 HE3 TRP 2 3HE TRP 2 7.896 -2.821 -5.130 23 HZ2 TRP 2 2HZ TRP 2 4.860 -0.315 -8.183 24 HZ3 TRP 2 3HZ TRP 2 5.920 -3.896 -6.130 25 HH2 TRP 2 2HH TRP 2 4.442 -2.666 -7.623 26 H CYS 3 HN CYS 3 8.125 2.436 -3.021 27 HA CYS 3 HA CYS 3 6.329 0.717 -1.459 28 HB2 CYS 3 2HB CYS 3 7.006 3.635 -1.056 29 HB3 CYS 3 1HB CYS 3 5.745 2.761 -0.198 30 H PHE 4 HN PHE 4 4.225 0.848 -1.862 31 HA PHE 4 HA PHE 4 3.288 2.869 -3.703 32 HB2 PHE 4 2HB PHE 4 2.079 1.150 -5.036 33 HB3 PHE 4 1HB PHE 4 3.833 0.958 -5.072 34 HD1 PHE 4 1HD PHE 4 0.692 -0.483 -3.884 35 HD2 PHE 4 2HD PHE 4 4.903 -0.970 -4.129 36 HE1 PHE 4 1HE PHE 4 0.438 -2.821 -3.242 37 HE2 PHE 4 2HE PHE 4 4.675 -3.336 -3.489 38 HZ PHE 4 HZ PHE 4 2.450 -4.278 -3.047 39 H ARG 5 HN ARG 5 1.002 3.188 -3.548 40 HA ARG 5 HA ARG 5 0.056 2.519 -0.853 41 HB2 ARG 5 2HB ARG 5 0.421 4.946 -1.614 42 HB3 ARG 5 1HB ARG 5 -0.977 4.700 -2.650 43 HG2 ARG 5 2HG ARG 5 -2.350 4.241 -0.691 44 HG3 ARG 5 1HG ARG 5 -0.947 4.510 0.347 45 HD2 ARG 5 2HD ARG 5 -0.751 6.798 -0.660 46 HD3 ARG 5 1HD ARG 5 -2.289 6.501 -1.472 47 HE ARG 5 HE ARG 5 -2.065 6.315 1.433 48 HH11 ARG 5 1HH1 ARG 5 -3.508 7.906 -1.399 49 HH12 ARG 5 2HH1 ARG 5 -4.636 8.799 -0.504 50 HH21 ARG 5 1HH2 ARG 5 -3.635 7.598 2.666 51 HH22 ARG 5 2HH2 ARG 5 -4.691 8.635 1.840 52 H VAL 6 HN VAL 6 -1.703 1.299 -0.655 53 HA VAL 6 HA VAL 6 -3.343 0.773 -3.046 54 HB VAL 6 HB VAL 6 -2.772 -1.157 -0.751 55 HG11 VAL 6 1HG1 VAL 6 -4.964 -1.478 -1.746 56 HG12 VAL 6 2HG1 VAL 6 -3.888 -2.822 -2.136 57 HG13 VAL 6 3HG1 VAL 6 -4.232 -1.587 -3.348 58 HG21 VAL 6 1HG2 VAL 6 -1.759 -1.282 -3.573 59 HG22 VAL 6 2HG2 VAL 6 -1.491 -2.471 -2.297 60 HG23 VAL 6 3HG2 VAL 6 -0.806 -0.852 -2.155 61 H CYS 7 HN CYS 7 -5.525 1.117 -2.734 62 HA CYS 7 HA CYS 7 -6.314 1.720 0.014 63 HB2 CYS 7 2HB CYS 7 -7.510 2.702 -2.586 64 HB3 CYS 7 1HB CYS 7 -8.142 3.058 -0.981 65 H TYR 8 HN TYR 8 -7.707 0.507 0.946 66 HA TYR 8 HA TYR 8 -9.295 -1.391 -0.638 67 HB2 TYR 8 2HB TYR 8 -7.456 -2.537 0.567 68 HB3 TYR 8 1HB TYR 8 -7.988 -1.742 2.050 69 HD1 TYR 8 1HD TYR 8 -9.613 -2.663 3.410 70 HD2 TYR 8 2HD TYR 8 -9.047 -4.251 -0.487 71 HE1 TYR 8 1HE TYR 8 -11.093 -4.498 3.963 72 HE2 TYR 8 2HE TYR 8 -10.540 -6.119 0.057 73 HH TYR 8 HH TYR 8 -11.373 -7.273 2.001 74 H ARG 9 HN ARG 9 -11.257 -0.445 -0.548 75 HA ARG 9 HA ARG 9 -13.267 0.266 0.253 76 HB2 ARG 9 2HB ARG 9 -12.314 -0.973 2.845 77 HB3 ARG 9 1HB ARG 9 -13.962 -0.480 2.515 78 HG2 ARG 9 2HG ARG 9 -12.433 -2.678 1.127 79 HG3 ARG 9 1HG ARG 9 -13.720 -2.881 2.311 80 HD2 ARG 9 2HD ARG 9 -13.974 -1.665 -0.439 81 HD3 ARG 9 1HD ARG 9 -14.580 -3.236 0.072 82 HE ARG 9 HE ARG 9 -15.619 -1.104 1.657 83 HH11 ARG 9 1HH1 ARG 9 -16.043 -2.752 -1.439 84 HH12 ARG 9 2HH1 ARG 9 -17.685 -2.328 -1.581 85 HH21 ARG 9 1HH2 ARG 9 -17.861 -0.515 1.426 86 HH22 ARG 9 2HH2 ARG 9 -18.730 -1.070 0.075 87 H GLY 10 HN GLY 10 -10.795 1.954 0.598 88 HA2 GLY 10 2HA GLY 10 -10.995 4.295 1.126 89 HA3 GLY 10 1HA GLY 10 -11.951 3.846 2.539 90 H ILE 11 HN ILE 11 -9.958 1.568 2.938 91 HA ILE 11 HA ILE 11 -8.201 3.091 4.621 92 HB ILE 11 HB ILE 11 -8.283 0.083 4.122 93 HG12 ILE 11 2HG1 ILE 11 -9.166 -0.004 6.523 94 HG13 ILE 11 1HG1 ILE 11 -9.476 1.719 6.382 95 HG21 ILE 11 1HG2 ILE 11 -6.092 0.829 4.846 96 HG22 ILE 11 2HG2 ILE 11 -6.873 -0.162 6.077 97 HG23 ILE 11 3HG2 ILE 11 -6.811 1.593 6.265 98 HD11 ILE 11 1HD1 ILE 11 -11.484 0.367 6.031 99 HD12 ILE 11 2HD1 ILE 11 -10.679 -0.440 4.670 100 HD13 ILE 11 3HD1 ILE 11 -11.050 1.277 4.580 101 H CYS 12 HN CYS 12 -6.618 4.078 3.562 102 HA CYS 12 HA CYS 12 -5.322 2.645 1.373 103 HB2 CYS 12 2HB CYS 12 -5.116 5.556 2.145 104 HB3 CYS 12 1HB CYS 12 -4.313 4.788 0.779 105 H TYR 13 HN TYR 13 -3.671 1.565 1.839 106 HA TYR 13 HA TYR 13 -1.945 2.480 3.996 107 HB2 TYR 13 2HB TYR 13 -1.412 0.029 4.361 108 HB3 TYR 13 1HB TYR 13 -3.033 0.527 4.826 109 HD1 TYR 13 1HD TYR 13 -4.945 -0.457 3.812 110 HD2 TYR 13 2HD TYR 13 -1.082 -1.235 2.233 111 HE1 TYR 13 1HE TYR 13 -5.890 -2.203 2.402 112 HE2 TYR 13 2HE TYR 13 -2.004 -2.966 0.816 113 HH TYR 13 HH TYR 13 -5.328 -3.396 0.280 114 H ARG 14 HN ARG 14 0.306 1.605 3.741 115 HA ARG 14 HA ARG 14 1.001 1.726 0.895 116 HB2 ARG 14 2HB ARG 14 1.610 3.731 2.134 117 HB3 ARG 14 1HB ARG 14 2.490 2.754 3.296 118 HG2 ARG 14 2HG ARG 14 4.038 2.068 1.531 119 HG3 ARG 14 1HG ARG 14 3.167 3.093 0.389 120 HD2 ARG 14 2HD ARG 14 5.126 4.253 1.204 121 HD3 ARG 14 1HD ARG 14 3.666 5.042 1.796 122 HE ARG 14 HE ARG 14 4.261 3.436 3.842 123 HH11 ARG 14 1HH1 ARG 14 6.292 5.681 1.987 124 HH12 ARG 14 2HH1 ARG 14 7.369 5.969 3.269 125 HH21 ARG 14 1HH2 ARG 14 5.708 3.901 5.610 126 HH22 ARG 14 2HH2 ARG 14 7.032 4.959 5.361 127 H LYS 15 HN LYS 15 1.872 -0.080 0.153 128 HA LYS 15 HA LYS 15 3.152 -1.918 2.031 129 HB2 LYS 15 2HB LYS 15 2.413 -2.305 -0.883 130 HB3 LYS 15 1HB LYS 15 3.229 -3.498 0.102 131 HG2 LYS 15 2HG LYS 15 1.211 -3.604 1.552 132 HG3 LYS 15 1HG LYS 15 0.399 -2.499 0.431 133 HD2 LYS 15 2HD LYS 15 0.803 -4.098 -1.408 134 HD3 LYS 15 1HD LYS 15 1.569 -5.194 -0.267 135 HE2 LYS 15 2HE LYS 15 -1.335 -4.337 -0.255 136 HE3 LYS 15 1HE LYS 15 -0.698 -5.867 -0.795 137 HZ1 LYS 15 1HZ LYS 15 -0.503 -4.905 2.023 138 HZ2 LYS 15 2HZ LYS 15 0.032 -6.390 1.429 139 HZ3 LYS 15 3HZ LYS 15 -1.590 -6.049 1.440 140 H CYS 16 HN CYS 16 5.310 -2.371 1.862 141 HA CYS 16 HA CYS 16 6.845 -1.003 -0.219 142 HB2 CYS 16 2HB CYS 16 7.444 -1.014 2.742 143 HB3 CYS 16 1HB CYS 16 8.546 -0.466 1.490 144 H ARG 17 HN ARG 17 8.255 -2.367 -1.129 145 HA ARG 17 HA ARG 17 8.888 -4.721 0.449 146 HB2 ARG 17 2HB ARG 17 9.497 -5.923 -1.588 147 HB3 ARG 17 1HB ARG 17 7.862 -5.314 -1.707 148 HG2 ARG 17 2HG ARG 17 8.550 -3.607 -3.235 149 HG3 ARG 17 1HG ARG 17 10.251 -4.008 -2.991 150 HD2 ARG 17 2HD ARG 17 9.629 -6.358 -3.780 151 HD3 ARG 17 1HD ARG 17 8.121 -5.643 -4.340 152 HE ARG 17 HE ARG 17 9.729 -4.079 -5.610 153 HH11 ARG 17 1HH1 ARG 17 10.309 -7.556 -5.021 154 HH12 ARG 17 2HH1 ARG 17 11.258 -7.754 -6.403 155 HH21 ARG 17 1HH2 ARG 17 11.038 -4.417 -7.519 156 HH22 ARG 17 2HH2 ARG 17 11.696 -5.951 -7.848 157 HN1 NH2 18 1H ARG 17 10.592 -4.454 1.566 158 HN2 NH2 18 2H ARG 17 12.036 -3.637 1.078 Start of MODEL 2 1 H1 ARG 1 1HT ARG 1 14.157 0.051 -2.945 2 H2 ARG 1 2HT ARG 1 13.209 -1.325 -3.028 3 H3 ARG 1 3HT ARG 1 14.349 -1.163 -1.789 4 HA ARG 1 HA ARG 1 12.107 -0.779 -1.009 5 HB2 ARG 1 2HB ARG 1 13.919 0.390 0.126 6 HB3 ARG 1 1HB ARG 1 13.907 1.656 -1.087 7 HG2 ARG 1 2HG ARG 1 11.713 2.379 -0.296 8 HG3 ARG 1 1HG ARG 1 11.703 1.078 0.894 9 HD2 ARG 1 2HD ARG 1 13.734 3.300 0.742 10 HD3 ARG 1 1HD ARG 1 12.390 3.223 1.879 11 HE ARG 1 HE ARG 1 13.471 1.074 2.648 12 HH11 ARG 1 1HH1 ARG 1 15.443 3.692 1.290 13 HH12 ARG 1 2HH1 ARG 1 16.798 3.328 2.251 14 HH21 ARG 1 1HH2 ARG 1 15.310 0.605 3.935 15 HH22 ARG 1 2HH2 ARG 1 16.737 1.535 3.805 16 H TRP 2 HN TRP 2 10.438 -0.858 -2.470 17 HA TRP 2 HA TRP 2 9.842 1.715 -3.722 18 HB2 TRP 2 2HB TRP 2 10.325 -0.131 -5.356 19 HB3 TRP 2 1HB TRP 2 8.954 -1.010 -4.691 20 HD1 TRP 2 1HD TRP 2 9.618 2.433 -6.320 21 HE1 TRP 2 1HE TRP 2 7.584 3.029 -7.776 22 HE3 TRP 2 3HE TRP 2 6.722 -1.577 -5.290 23 HZ2 TRP 2 2HZ TRP 2 5.083 1.921 -8.422 24 HZ3 TRP 2 3HZ TRP 2 4.498 -1.764 -6.378 25 HH2 TRP 2 2HH TRP 2 3.711 -0.041 -7.906 26 H CYS 3 HN CYS 3 8.156 2.665 -2.875 27 HA CYS 3 HA CYS 3 6.333 1.049 -1.258 28 HB2 CYS 3 2HB CYS 3 7.006 3.981 -1.102 29 HB3 CYS 3 1HB CYS 3 5.819 3.164 -0.088 30 H PHE 4 HN PHE 4 4.272 1.032 -1.627 31 HA PHE 4 HA PHE 4 3.184 2.881 -3.549 32 HB2 PHE 4 2HB PHE 4 2.036 1.023 -4.732 33 HB3 PHE 4 1HB PHE 4 3.794 0.944 -4.834 34 HD1 PHE 4 1HD PHE 4 0.798 -0.731 -3.748 35 HD2 PHE 4 2HD PHE 4 5.036 -0.762 -3.531 36 HE1 PHE 4 1HE PHE 4 0.733 -3.049 -3.002 37 HE2 PHE 4 2HE PHE 4 4.984 -3.106 -2.786 38 HZ PHE 4 HZ PHE 4 2.841 -4.257 -2.536 39 H ARG 5 HN ARG 5 0.928 3.133 -3.322 40 HA ARG 5 HA ARG 5 0.094 2.437 -0.607 41 HB2 ARG 5 2HB ARG 5 0.377 4.858 -1.308 42 HB3 ARG 5 1HB ARG 5 -1.013 4.622 -2.354 43 HG2 ARG 5 2HG ARG 5 -2.388 4.088 -0.419 44 HG3 ARG 5 1HG ARG 5 -0.990 4.303 0.638 45 HD2 ARG 5 2HD ARG 5 -0.788 6.627 -0.250 46 HD3 ARG 5 1HD ARG 5 -2.317 6.376 -1.082 47 HE ARG 5 HE ARG 5 -2.170 6.008 1.810 48 HH11 ARG 5 1HH1 ARG 5 -3.514 7.775 -0.942 49 HH12 ARG 5 2HH1 ARG 5 -4.531 8.746 0.004 50 HH21 ARG 5 1HH2 ARG 5 -3.554 7.318 3.099 51 HH22 ARG 5 2HH2 ARG 5 -4.546 8.497 2.373 52 H VAL 6 HN VAL 6 -1.438 1.012 -0.408 53 HA VAL 6 HA VAL 6 -3.129 0.418 -2.721 54 HB VAL 6 HB VAL 6 -2.339 -1.377 -0.382 55 HG11 VAL 6 1HG1 VAL 6 -4.682 -1.798 -0.992 56 HG12 VAL 6 2HG1 VAL 6 -3.653 -3.147 -1.472 57 HG13 VAL 6 3HG1 VAL 6 -4.213 -1.991 -2.680 58 HG21 VAL 6 1HG2 VAL 6 -1.805 -1.584 -3.333 59 HG22 VAL 6 2HG2 VAL 6 -1.350 -2.773 -2.113 60 HG23 VAL 6 3HG2 VAL 6 -0.637 -1.159 -2.078 61 H CYS 7 HN CYS 7 -5.238 0.721 -2.541 62 HA CYS 7 HA CYS 7 -6.269 1.431 0.087 63 HB2 CYS 7 2HB CYS 7 -7.116 2.438 -2.636 64 HB3 CYS 7 1HB CYS 7 -7.939 2.808 -1.125 65 H TYR 8 HN TYR 8 -7.786 0.265 0.851 66 HA TYR 8 HA TYR 8 -9.320 -1.522 -0.896 67 HB2 TYR 8 2HB TYR 8 -7.735 -2.821 0.440 68 HB3 TYR 8 1HB TYR 8 -8.266 -1.986 1.897 69 HD1 TYR 8 1HD TYR 8 -9.924 -2.961 3.237 70 HD2 TYR 8 2HD TYR 8 -9.559 -4.213 -0.814 71 HE1 TYR 8 1HE TYR 8 -11.590 -4.713 3.635 72 HE2 TYR 8 2HE TYR 8 -11.215 -5.968 -0.427 73 HH TYR 8 HH TYR 8 -12.140 -7.252 1.434 74 H ARG 9 HN ARG 9 -11.089 -0.274 -1.057 75 HA ARG 9 HA ARG 9 -13.070 0.691 -0.583 76 HB2 ARG 9 2HB ARG 9 -12.953 -0.908 1.979 77 HB3 ARG 9 1HB ARG 9 -14.393 -0.221 1.249 78 HG2 ARG 9 2HG ARG 9 -13.878 -1.719 -0.765 79 HG3 ARG 9 1HG ARG 9 -12.720 -2.512 0.287 80 HD2 ARG 9 2HD ARG 9 -15.684 -2.269 0.762 81 HD3 ARG 9 1HD ARG 9 -14.800 -3.730 0.339 82 HE ARG 9 HE ARG 9 -13.946 -2.438 2.772 83 HH11 ARG 9 1HH1 ARG 9 -16.176 -4.825 1.407 84 HH12 ARG 9 2HH1 ARG 9 -16.319 -5.723 2.843 85 HH21 ARG 9 1HH2 ARG 9 -14.183 -3.601 4.735 86 HH22 ARG 9 2HH2 ARG 9 -15.168 -4.989 4.818 87 H GLY 10 HN GLY 10 -10.718 2.115 0.249 88 HA2 GLY 10 2HA GLY 10 -10.880 4.377 1.115 89 HA3 GLY 10 1HA GLY 10 -11.990 3.767 2.331 90 H ILE 11 HN ILE 11 -10.053 1.375 2.618 91 HA ILE 11 HA ILE 11 -8.379 2.669 4.582 92 HB ILE 11 HB ILE 11 -8.599 -0.282 3.825 93 HG12 ILE 11 2HG1 ILE 11 -9.603 -0.537 6.124 94 HG13 ILE 11 1HG1 ILE 11 -9.711 1.215 6.222 95 HG21 ILE 11 1HG2 ILE 11 -7.302 -0.769 5.844 96 HG22 ILE 11 2HG2 ILE 11 -7.060 0.960 6.091 97 HG23 ILE 11 3HG2 ILE 11 -6.390 0.171 4.663 98 HD11 ILE 11 1HD1 ILE 11 -11.247 1.189 4.319 99 HD12 ILE 11 2HD1 ILE 11 -11.839 0.194 5.651 100 HD13 ILE 11 3HD1 ILE 11 -11.099 -0.563 4.238 101 H CYS 12 HN CYS 12 -6.709 3.716 3.668 102 HA CYS 12 HA CYS 12 -5.251 2.298 1.581 103 HB2 CYS 12 2HB CYS 12 -5.139 5.227 2.335 104 HB3 CYS 12 1HB CYS 12 -4.237 4.450 1.040 105 H TYR 13 HN TYR 13 -3.226 1.684 1.902 106 HA TYR 13 HA TYR 13 -1.775 2.712 4.197 107 HB2 TYR 13 2HB TYR 13 -1.036 0.391 4.772 108 HB3 TYR 13 1HB TYR 13 -2.748 0.661 5.054 109 HD1 TYR 13 1HD TYR 13 -4.417 -0.361 3.529 110 HD2 TYR 13 2HD TYR 13 -0.261 -1.240 3.192 111 HE1 TYR 13 1HE TYR 13 -4.954 -2.333 2.208 112 HE2 TYR 13 2HE TYR 13 -0.775 -3.212 1.863 113 HH TYR 13 HH TYR 13 -2.708 -4.758 1.577 114 H ARG 14 HN ARG 14 0.502 2.514 3.945 115 HA ARG 14 HA ARG 14 1.184 2.262 1.123 116 HB2 ARG 14 2HB ARG 14 1.704 4.423 2.275 117 HB3 ARG 14 1HB ARG 14 2.807 3.537 3.322 118 HG2 ARG 14 2HG ARG 14 4.142 2.893 1.408 119 HG3 ARG 14 1HG ARG 14 3.030 3.734 0.332 120 HD2 ARG 14 2HD ARG 14 4.947 5.101 0.703 121 HD3 ARG 14 1HD ARG 14 3.569 5.850 1.508 122 HE ARG 14 HE ARG 14 4.533 4.689 3.566 123 HH11 ARG 14 1HH1 ARG 14 6.494 6.023 0.907 124 HH12 ARG 14 2HH1 ARG 14 7.875 6.302 1.839 125 HH21 ARG 14 1HH2 ARG 14 6.420 5.113 4.898 126 HH22 ARG 14 2HH2 ARG 14 7.824 5.780 4.211 127 H LYS 15 HN LYS 15 2.036 0.475 0.543 128 HA LYS 15 HA LYS 15 3.357 -1.218 2.515 129 HB2 LYS 15 2HB LYS 15 1.402 -2.146 1.278 130 HB3 LYS 15 1HB LYS 15 2.259 -1.875 -0.228 131 HG2 LYS 15 2HG LYS 15 3.986 -3.475 0.484 132 HG3 LYS 15 1HG LYS 15 3.079 -3.729 1.982 133 HD2 LYS 15 2HD LYS 15 1.217 -4.619 0.793 134 HD3 LYS 15 1HD LYS 15 1.936 -4.221 -0.763 135 HE2 LYS 15 2HE LYS 15 3.791 -5.793 -0.245 136 HE3 LYS 15 1HE LYS 15 2.956 -6.236 1.245 137 HZ1 LYS 15 1HZ LYS 15 1.093 -6.991 -0.109 138 HZ2 LYS 15 2HZ LYS 15 2.491 -7.826 -0.497 139 HZ3 LYS 15 3HZ LYS 15 1.931 -6.611 -1.516 140 H CYS 16 HN CYS 16 5.489 -1.601 2.311 141 HA CYS 16 HA CYS 16 6.769 -0.491 -0.075 142 HB2 CYS 16 2HB CYS 16 7.815 -0.552 2.761 143 HB3 CYS 16 1HB CYS 16 8.725 -0.016 1.355 144 H ARG 17 HN ARG 17 7.949 -1.780 -1.223 145 HA ARG 17 HA ARG 17 8.794 -4.285 -0.008 146 HB2 ARG 17 2HB ARG 17 8.668 -5.364 -2.252 147 HB3 ARG 17 1HB ARG 17 7.114 -4.864 -1.623 148 HG2 ARG 17 2HG ARG 17 7.090 -2.973 -3.157 149 HG3 ARG 17 1HG ARG 17 8.700 -3.412 -3.736 150 HD2 ARG 17 2HD ARG 17 7.875 -5.551 -4.521 151 HD3 ARG 17 1HD ARG 17 6.268 -5.193 -3.895 152 HE ARG 17 HE ARG 17 6.422 -3.237 -5.546 153 HH11 ARG 17 1HH1 ARG 17 7.692 -6.496 -6.111 154 HH12 ARG 17 2HH1 ARG 17 7.539 -6.415 -7.800 155 HH21 ARG 17 1HH2 ARG 17 6.182 -3.132 -7.916 156 HH22 ARG 17 2HH2 ARG 17 6.673 -4.483 -8.822 157 HN1 NH2 18 1H ARG 17 10.804 -4.298 0.354 158 HN2 NH2 18 2H ARG 17 12.027 -3.495 -0.561 Start of MODEL 3 1 H1 ARG 1 1HT ARG 1 12.788 -2.450 -4.350 2 H2 ARG 1 2HT ARG 1 11.843 -1.200 -4.979 3 H3 ARG 1 3HT ARG 1 11.334 -2.072 -3.636 4 HA ARG 1 HA ARG 1 13.083 -1.276 -2.268 5 HB2 ARG 1 2HB ARG 1 14.682 -0.944 -4.206 6 HB3 ARG 1 1HB ARG 1 13.799 0.525 -4.594 7 HG2 ARG 1 2HG ARG 1 14.336 1.242 -2.184 8 HG3 ARG 1 1HG ARG 1 15.530 -0.054 -2.210 9 HD2 ARG 1 2HD ARG 1 16.638 1.962 -2.842 10 HD3 ARG 1 1HD ARG 1 16.450 0.976 -4.296 11 HE ARG 1 HE ARG 1 14.451 3.017 -3.703 12 HH11 ARG 1 1HH1 ARG 1 17.131 1.934 -5.781 13 HH12 ARG 1 2HH1 ARG 1 16.838 3.086 -6.988 14 HH21 ARG 1 1HH2 ARG 1 14.071 4.618 -5.351 15 HH22 ARG 1 2HH2 ARG 1 15.036 4.651 -6.739 16 H TRP 2 HN TRP 2 10.404 -0.289 -4.008 17 HA TRP 2 HA TRP 2 10.400 2.396 -2.885 18 HB2 TRP 2 2HB TRP 2 8.810 1.183 -5.151 19 HB3 TRP 2 1HB TRP 2 8.561 2.804 -4.521 20 HD1 TRP 2 1HD TRP 2 10.301 4.660 -5.235 21 HE1 TRP 2 1HE TRP 2 12.107 4.758 -7.060 22 HE3 TRP 2 3HE TRP 2 10.566 -0.305 -6.402 23 HZ2 TRP 2 2HZ TRP 2 13.469 2.974 -8.753 24 HZ3 TRP 2 3HZ TRP 2 12.163 -1.025 -8.133 25 HH2 TRP 2 2HH TRP 2 13.576 0.590 -9.282 26 H CYS 3 HN CYS 3 8.243 3.162 -2.240 27 HA CYS 3 HA CYS 3 6.689 1.049 -0.964 28 HB2 CYS 3 2HB CYS 3 6.923 3.991 -0.269 29 HB3 CYS 3 1HB CYS 3 5.870 2.842 0.552 30 H PHE 4 HN PHE 4 4.498 1.098 -1.260 31 HA PHE 4 HA PHE 4 3.451 2.982 -3.206 32 HB2 PHE 4 2HB PHE 4 2.402 1.123 -4.474 33 HB3 PHE 4 1HB PHE 4 4.159 1.044 -4.519 34 HD1 PHE 4 1HD PHE 4 5.350 -0.685 -3.189 35 HD2 PHE 4 2HD PHE 4 1.110 -0.611 -3.516 36 HE1 PHE 4 1HE PHE 4 5.252 -3.013 -2.406 37 HE2 PHE 4 2HE PHE 4 0.990 -2.909 -2.730 38 HZ PHE 4 HZ PHE 4 3.079 -4.136 -2.171 39 H ARG 5 HN ARG 5 1.138 3.115 -3.079 40 HA ARG 5 HA ARG 5 0.223 2.220 -0.451 41 HB2 ARG 5 2HB ARG 5 0.446 4.718 -1.017 42 HB3 ARG 5 1HB ARG 5 -0.974 4.482 -2.025 43 HG2 ARG 5 2HG ARG 5 -2.252 3.782 -0.105 44 HG3 ARG 5 1HG ARG 5 -0.822 3.910 0.918 45 HD2 ARG 5 2HD ARG 5 -0.714 6.343 0.206 46 HD3 ARG 5 1HD ARG 5 -2.338 6.100 -0.454 47 HE ARG 5 HE ARG 5 -1.932 5.305 2.287 48 HH11 ARG 5 1HH1 ARG 5 -3.111 7.878 0.139 49 HH12 ARG 5 2HH1 ARG 5 -3.992 8.658 1.368 50 HH21 ARG 5 1HH2 ARG 5 -3.119 6.362 3.917 51 HH22 ARG 5 2HH2 ARG 5 -4.011 7.767 3.570 52 H VAL 6 HN VAL 6 -1.571 1.061 -0.281 53 HA VAL 6 HA VAL 6 -3.010 0.399 -2.750 54 HB VAL 6 HB VAL 6 -2.380 -1.402 -0.364 55 HG11 VAL 6 1HG1 VAL 6 -3.556 -3.179 -1.570 56 HG12 VAL 6 2HG1 VAL 6 -4.009 -2.027 -2.826 57 HG13 VAL 6 3HG1 VAL 6 -4.650 -1.845 -1.193 58 HG21 VAL 6 1HG2 VAL 6 -0.528 -1.150 -1.890 59 HG22 VAL 6 2HG2 VAL 6 -1.564 -1.569 -3.250 60 HG23 VAL 6 3HG2 VAL 6 -1.210 -2.772 -2.009 61 H CYS 7 HN CYS 7 -5.171 0.659 -2.687 62 HA CYS 7 HA CYS 7 -6.315 1.460 -0.120 63 HB2 CYS 7 2HB CYS 7 -7.058 2.355 -2.905 64 HB3 CYS 7 1HB CYS 7 -7.995 2.721 -1.460 65 H TYR 8 HN TYR 8 -7.876 0.351 0.680 66 HA TYR 8 HA TYR 8 -9.405 -1.452 -1.037 67 HB2 TYR 8 2HB TYR 8 -7.761 -2.743 0.270 68 HB3 TYR 8 1HB TYR 8 -8.355 -1.979 1.742 69 HD1 TYR 8 1HD TYR 8 -10.273 -2.837 2.871 70 HD2 TYR 8 2HD TYR 8 -9.264 -4.341 -0.976 71 HE1 TYR 8 1HE TYR 8 -11.901 -4.631 3.152 72 HE2 TYR 8 2HE TYR 8 -10.907 -6.138 -0.707 73 HH TYR 8 HH TYR 8 -12.029 -7.326 1.166 74 H ARG 9 HN ARG 9 -11.215 -0.253 -1.138 75 HA ARG 9 HA ARG 9 -13.232 0.603 -0.589 76 HB2 ARG 9 2HB ARG 9 -12.898 -0.942 1.988 77 HB3 ARG 9 1HB ARG 9 -14.413 -0.334 1.336 78 HG2 ARG 9 2HG ARG 9 -13.995 -1.805 -0.684 79 HG3 ARG 9 1HG ARG 9 -12.652 -2.479 0.211 80 HD2 ARG 9 2HD ARG 9 -14.131 -3.209 1.982 81 HD3 ARG 9 1HD ARG 9 -15.517 -2.513 1.135 82 HE ARG 9 HE ARG 9 -13.972 -4.400 -0.373 83 HH11 ARG 9 1HH1 ARG 9 -16.670 -4.095 1.894 84 HH12 ARG 9 2HH1 ARG 9 -17.485 -5.472 1.355 85 HH21 ARG 9 1HH2 ARG 9 -15.075 -6.328 -1.124 86 HH22 ARG 9 2HH2 ARG 9 -16.528 -6.801 -0.388 87 H GLY 10 HN GLY 10 -10.794 2.063 0.308 88 HA2 GLY 10 2HA GLY 10 -11.039 4.378 1.068 89 HA3 GLY 10 1HA GLY 10 -12.107 3.772 2.332 90 H ILE 11 HN ILE 11 -10.190 1.432 2.606 91 HA ILE 11 HA ILE 11 -8.454 2.724 4.508 92 HB ILE 11 HB ILE 11 -8.673 -0.234 3.776 93 HG12 ILE 11 2HG1 ILE 11 -9.675 -0.455 6.106 94 HG13 ILE 11 1HG1 ILE 11 -9.854 1.292 6.116 95 HG21 ILE 11 1HG2 ILE 11 -6.480 0.356 4.659 96 HG22 ILE 11 2HG2 ILE 11 -7.361 -0.704 5.759 97 HG23 ILE 11 3HG2 ILE 11 -7.239 1.021 6.105 98 HD11 ILE 11 1HD1 ILE 11 -11.929 0.157 5.573 99 HD12 ILE 11 2HD1 ILE 11 -11.145 -0.624 4.191 100 HD13 ILE 11 3HD1 ILE 11 -11.367 1.124 4.208 101 H CYS 12 HN CYS 12 -6.827 3.756 3.560 102 HA CYS 12 HA CYS 12 -5.396 2.352 1.434 103 HB2 CYS 12 2HB CYS 12 -5.410 5.302 2.108 104 HB3 CYS 12 1HB CYS 12 -4.431 4.554 0.852 105 H TYR 13 HN TYR 13 -3.591 1.446 1.984 106 HA TYR 13 HA TYR 13 -2.086 2.578 4.210 107 HB2 TYR 13 2HB TYR 13 -1.413 0.198 4.779 108 HB3 TYR 13 1HB TYR 13 -3.090 0.614 5.106 109 HD1 TYR 13 1HD TYR 13 -4.884 -0.428 3.867 110 HD2 TYR 13 2HD TYR 13 -0.844 -1.331 2.959 111 HE1 TYR 13 1HE TYR 13 -5.631 -2.342 2.535 112 HE2 TYR 13 2HE TYR 13 -1.558 -3.241 1.637 113 HH TYR 13 HH TYR 13 -3.394 -4.677 1.310 114 H ARG 14 HN ARG 14 0.152 2.362 4.118 115 HA ARG 14 HA ARG 14 1.192 2.241 1.393 116 HB2 ARG 14 2HB ARG 14 1.649 4.263 2.736 117 HB3 ARG 14 1HB ARG 14 2.455 3.275 3.943 118 HG2 ARG 14 2HG ARG 14 4.087 2.594 2.161 119 HG3 ARG 14 1HG ARG 14 3.343 3.796 1.111 120 HD2 ARG 14 2HD ARG 14 5.326 4.726 2.144 121 HD3 ARG 14 1HD ARG 14 3.897 5.544 2.781 122 HE ARG 14 HE ARG 14 4.220 3.710 4.632 123 HH11 ARG 14 1HH1 ARG 14 6.770 5.663 3.108 124 HH12 ARG 14 2HH1 ARG 14 7.768 5.656 4.472 125 HH21 ARG 14 1HH2 ARG 14 5.594 3.671 6.455 126 HH22 ARG 14 2HH2 ARG 14 7.104 4.466 6.448 127 H LYS 15 HN LYS 15 2.240 0.494 0.752 128 HA LYS 15 HA LYS 15 3.385 -1.302 2.768 129 HB2 LYS 15 2HB LYS 15 2.785 -1.868 -0.148 130 HB3 LYS 15 1HB LYS 15 3.360 -3.020 1.042 131 HG2 LYS 15 2HG LYS 15 1.230 -2.774 2.263 132 HG3 LYS 15 1HG LYS 15 0.665 -1.678 1.003 133 HD2 LYS 15 2HD LYS 15 -0.236 -3.851 0.457 134 HD3 LYS 15 1HD LYS 15 1.084 -3.530 -0.649 135 HE2 LYS 15 2HE LYS 15 2.575 -4.926 0.650 136 HE3 LYS 15 1HE LYS 15 1.318 -5.178 1.856 137 HZ1 LYS 15 1HZ LYS 15 1.462 -7.061 0.364 138 HZ2 LYS 15 2HZ LYS 15 1.238 -6.085 -0.968 139 HZ3 LYS 15 3HZ LYS 15 -0.017 -6.287 0.144 140 H CYS 16 HN CYS 16 5.599 -1.866 2.459 141 HA CYS 16 HA CYS 16 6.949 -0.395 0.333 142 HB2 CYS 16 2HB CYS 16 7.884 -0.818 3.177 143 HB3 CYS 16 1HB CYS 16 8.891 -0.174 1.886 144 H ARG 17 HN ARG 17 8.239 -1.570 -0.933 145 HA ARG 17 HA ARG 17 8.818 -4.275 -0.006 146 HB2 ARG 17 2HB ARG 17 6.960 -4.222 -1.687 147 HB3 ARG 17 1HB ARG 17 8.084 -3.526 -2.847 148 HG2 ARG 17 2HG ARG 17 7.851 -5.894 -3.249 149 HG3 ARG 17 1HG ARG 17 9.481 -5.553 -2.663 150 HD2 ARG 17 2HD ARG 17 8.801 -6.234 -0.396 151 HD3 ARG 17 1HD ARG 17 7.184 -6.590 -0.998 152 HE ARG 17 HE ARG 17 8.906 -8.030 -2.542 153 HH11 ARG 17 1HH1 ARG 17 8.134 -7.886 0.932 154 HH12 ARG 17 2HH1 ARG 17 8.534 -9.514 1.220 155 HH21 ARG 17 1HH2 ARG 17 9.423 -10.302 -2.100 156 HH22 ARG 17 2HH2 ARG 17 9.277 -10.893 -0.508 157 HN1 NH2 18 1H ARG 17 10.920 -4.273 0.319 158 HN2 NH2 18 2H ARG 17 12.121 -3.565 -0.696 Start of MODEL 4 1 H1 ARG 1 1HT ARG 1 14.329 2.015 -1.509 2 H2 ARG 1 2HT ARG 1 12.756 2.263 -0.932 3 H3 ARG 1 3HT ARG 1 13.215 2.928 -2.402 4 HA ARG 1 HA ARG 1 13.441 0.820 -3.392 5 HB2 ARG 1 2HB ARG 1 12.483 -0.238 -0.703 6 HB3 ARG 1 1HB ARG 1 12.576 -1.184 -2.174 7 HG2 ARG 1 2HG ARG 1 14.956 -0.881 -2.295 8 HG3 ARG 1 1HG ARG 1 14.912 0.181 -0.896 9 HD2 ARG 1 2HD ARG 1 14.273 -1.595 0.534 10 HD3 ARG 1 1HD ARG 1 14.028 -2.694 -0.828 11 HE ARG 1 HE ARG 1 16.489 -2.233 -1.246 12 HH11 ARG 1 1HH1 ARG 1 15.080 -2.510 1.990 13 HH12 ARG 1 2HH1 ARG 1 16.534 -2.988 2.726 14 HH21 ARG 1 1HH2 ARG 1 18.449 -2.860 -0.263 15 HH22 ARG 1 2HH2 ARG 1 18.518 -3.174 1.422 16 H TRP 2 HN TRP 2 11.130 -0.817 -3.329 17 HA TRP 2 HA TRP 2 9.349 1.190 -4.376 18 HB2 TRP 2 2HB TRP 2 9.927 -0.866 -5.659 19 HB3 TRP 2 1HB TRP 2 9.070 -1.814 -4.450 20 HD1 TRP 2 1HD TRP 2 6.502 -1.959 -4.669 21 HE1 TRP 2 1HE TRP 2 4.759 -1.043 -6.380 22 HE3 TRP 2 3HE TRP 2 9.513 1.241 -7.231 23 HZ2 TRP 2 2HZ TRP 2 4.717 0.788 -8.518 24 HZ3 TRP 2 3HZ TRP 2 8.560 2.538 -9.092 25 HH2 TRP 2 2HH TRP 2 6.219 2.312 -9.718 26 H CYS 3 HN CYS 3 8.070 2.165 -3.058 27 HA CYS 3 HA CYS 3 6.430 0.591 -1.219 28 HB2 CYS 3 2HB CYS 3 7.357 3.468 -0.991 29 HB3 CYS 3 1HB CYS 3 6.135 2.741 0.038 30 H PHE 4 HN PHE 4 4.298 0.831 -1.417 31 HA PHE 4 HA PHE 4 3.328 2.735 -3.389 32 HB2 PHE 4 2HB PHE 4 1.967 0.875 -4.411 33 HB3 PHE 4 1HB PHE 4 3.711 0.776 -4.655 34 HD1 PHE 4 1HD PHE 4 0.826 -0.751 -3.042 35 HD2 PHE 4 2HD PHE 4 5.012 -0.958 -3.636 36 HE1 PHE 4 1HE PHE 4 0.826 -3.053 -2.190 37 HE2 PHE 4 2HE PHE 4 5.035 -3.265 -2.792 38 HZ PHE 4 HZ PHE 4 2.942 -4.322 -2.071 39 H ARG 5 HN ARG 5 0.947 2.960 -3.302 40 HA ARG 5 HA ARG 5 0.039 2.612 -0.525 41 HB2 ARG 5 2HB ARG 5 0.394 4.959 -1.343 42 HB3 ARG 5 1HB ARG 5 -0.844 4.662 -2.554 43 HG2 ARG 5 2HG ARG 5 -2.477 4.292 -0.767 44 HG3 ARG 5 1HG ARG 5 -1.234 4.719 0.416 45 HD2 ARG 5 2HD ARG 5 -0.964 6.908 -0.671 46 HD3 ARG 5 1HD ARG 5 -2.216 6.474 -1.829 47 HE ARG 5 HE ARG 5 -2.736 6.598 1.040 48 HH11 ARG 5 1HH1 ARG 5 -3.487 7.695 -2.250 49 HH12 ARG 5 2HH1 ARG 5 -4.895 8.535 -1.822 50 HH21 ARG 5 1HH2 ARG 5 -4.720 7.758 1.637 51 HH22 ARG 5 2HH2 ARG 5 -5.634 8.536 0.431 52 H VAL 6 HN VAL 6 -1.385 1.062 -0.382 53 HA VAL 6 HA VAL 6 -3.073 0.405 -2.690 54 HB VAL 6 HB VAL 6 -2.543 -1.203 -0.161 55 HG11 VAL 6 1HG1 VAL 6 -4.796 -1.618 -1.032 56 HG12 VAL 6 2HG1 VAL 6 -3.752 -3.021 -1.262 57 HG13 VAL 6 3HG1 VAL 6 -4.117 -1.962 -2.625 58 HG21 VAL 6 1HG2 VAL 6 -1.631 -1.626 -2.995 59 HG22 VAL 6 2HG2 VAL 6 -1.390 -2.751 -1.657 60 HG23 VAL 6 3HG2 VAL 6 -0.630 -1.157 -1.616 61 H CYS 7 HN CYS 7 -5.092 1.057 -2.660 62 HA CYS 7 HA CYS 7 -6.282 1.712 -0.074 63 HB2 CYS 7 2HB CYS 7 -6.921 2.752 -2.841 64 HB3 CYS 7 1HB CYS 7 -7.866 3.109 -1.399 65 H TYR 8 HN TYR 8 -7.876 0.571 0.586 66 HA TYR 8 HA TYR 8 -9.355 -1.120 -1.289 67 HB2 TYR 8 2HB TYR 8 -7.577 -2.469 -0.206 68 HB3 TYR 8 1HB TYR 8 -8.193 -1.949 1.363 69 HD1 TYR 8 1HD TYR 8 -8.887 -4.069 -1.587 70 HD2 TYR 8 2HD TYR 8 -10.144 -2.971 2.326 71 HE1 TYR 8 1HE TYR 8 -10.408 -5.993 -1.536 72 HE2 TYR 8 2HE TYR 8 -11.657 -4.880 2.387 73 HH TYR 8 HH TYR 8 -11.539 -7.431 0.225 74 H ARG 9 HN ARG 9 -11.205 0.012 -1.126 75 HA ARG 9 HA ARG 9 -13.261 0.597 -0.337 76 HB2 ARG 9 2HB ARG 9 -12.565 -1.219 1.979 77 HB3 ARG 9 1HB ARG 9 -14.170 -0.609 1.612 78 HG2 ARG 9 2HG ARG 9 -12.529 -2.452 -0.115 79 HG3 ARG 9 1HG ARG 9 -13.912 -2.914 0.870 80 HD2 ARG 9 2HD ARG 9 -15.334 -1.412 -0.484 81 HD3 ARG 9 1HD ARG 9 -13.924 -1.022 -1.470 82 HE ARG 9 HE ARG 9 -14.568 -3.811 -1.248 83 HH11 ARG 9 1HH1 ARG 9 -14.865 -0.868 -3.229 84 HH12 ARG 9 2HH1 ARG 9 -15.334 -1.724 -4.634 85 HH21 ARG 9 1HH2 ARG 9 -15.177 -4.938 -3.208 86 HH22 ARG 9 2HH2 ARG 9 -15.506 -4.062 -4.619 87 H GLY 10 HN GLY 10 -10.858 2.113 0.463 88 HA2 GLY 10 2HA GLY 10 -11.226 4.323 1.399 89 HA3 GLY 10 1HA GLY 10 -12.104 3.542 2.710 90 H ILE 11 HN ILE 11 -10.036 1.361 2.669 91 HA ILE 11 HA ILE 11 -8.286 2.653 4.561 92 HB ILE 11 HB ILE 11 -8.405 -0.257 3.696 93 HG12 ILE 11 2HG1 ILE 11 -9.312 -0.605 6.080 94 HG13 ILE 11 1HG1 ILE 11 -9.634 1.122 6.097 95 HG21 ILE 11 1HG2 ILE 11 -6.902 0.980 5.987 96 HG22 ILE 11 2HG2 ILE 11 -6.217 0.317 4.510 97 HG23 ILE 11 3HG2 ILE 11 -7.027 -0.751 5.658 98 HD11 ILE 11 1HD1 ILE 11 -10.787 -0.883 4.172 99 HD12 ILE 11 2HD1 ILE 11 -11.167 0.840 4.218 100 HD13 ILE 11 3HD1 ILE 11 -11.622 -0.201 5.572 101 H CYS 12 HN CYS 12 -6.621 3.738 3.642 102 HA CYS 12 HA CYS 12 -5.219 2.378 1.464 103 HB2 CYS 12 2HB CYS 12 -5.049 5.295 2.272 104 HB3 CYS 12 1HB CYS 12 -4.179 4.539 0.936 105 H TYR 13 HN TYR 13 -3.296 1.578 1.838 106 HA TYR 13 HA TYR 13 -1.813 2.598 4.113 107 HB2 TYR 13 2HB TYR 13 -1.073 0.265 4.659 108 HB3 TYR 13 1HB TYR 13 -2.765 0.593 4.977 109 HD1 TYR 13 1HD TYR 13 -0.400 -1.262 2.867 110 HD2 TYR 13 2HD TYR 13 -4.497 -0.551 3.734 111 HE1 TYR 13 1HE TYR 13 -1.006 -3.280 1.621 112 HE2 TYR 13 2HE TYR 13 -5.122 -2.558 2.486 113 HH TYR 13 HH TYR 13 -4.202 -4.011 0.725 114 H ARG 14 HN ARG 14 0.373 2.545 3.966 115 HA ARG 14 HA ARG 14 1.364 2.398 1.233 116 HB2 ARG 14 2HB ARG 14 1.768 4.437 2.648 117 HB3 ARG 14 1HB ARG 14 2.736 3.444 3.724 118 HG2 ARG 14 2HG ARG 14 4.260 2.953 1.846 119 HG3 ARG 14 1HG ARG 14 3.304 4.030 0.828 120 HD2 ARG 14 2HD ARG 14 3.774 5.866 2.449 121 HD3 ARG 14 1HD ARG 14 4.859 4.767 3.305 122 HE ARG 14 HE ARG 14 5.282 5.254 0.470 123 HH11 ARG 14 1HH1 ARG 14 6.431 5.791 3.788 124 HH12 ARG 14 2HH1 ARG 14 7.953 6.372 3.314 125 HH21 ARG 14 1HH2 ARG 14 7.374 6.072 -0.169 126 HH22 ARG 14 2HH2 ARG 14 8.509 6.521 0.993 127 H LYS 15 HN LYS 15 2.130 0.505 0.694 128 HA LYS 15 HA LYS 15 3.323 -1.208 2.761 129 HB2 LYS 15 2HB LYS 15 1.264 -2.035 1.575 130 HB3 LYS 15 1HB LYS 15 2.165 -1.973 0.071 131 HG2 LYS 15 2HG LYS 15 3.738 -3.627 0.963 132 HG3 LYS 15 1HG LYS 15 2.787 -3.696 2.450 133 HD2 LYS 15 2HD LYS 15 0.854 -4.471 1.199 134 HD3 LYS 15 1HD LYS 15 1.766 -4.374 -0.307 135 HE2 LYS 15 2HE LYS 15 3.374 -5.999 0.621 136 HE3 LYS 15 1HE LYS 15 2.349 -6.159 2.046 137 HZ1 LYS 15 1HZ LYS 15 1.927 -7.930 0.479 138 HZ2 LYS 15 2HZ LYS 15 1.608 -6.834 -0.739 139 HZ3 LYS 15 3HZ LYS 15 0.566 -6.946 0.581 140 H CYS 16 HN CYS 16 5.386 -2.035 2.373 141 HA CYS 16 HA CYS 16 6.715 -0.977 -0.014 142 HB2 CYS 16 2HB CYS 16 7.814 -1.156 2.790 143 HB3 CYS 16 1HB CYS 16 8.746 -0.712 1.369 144 H ARG 17 HN ARG 17 8.280 -2.229 -0.942 145 HA ARG 17 HA ARG 17 8.696 -4.866 0.203 146 HB2 ARG 17 2HB ARG 17 8.718 -5.866 -2.072 147 HB3 ARG 17 1HB ARG 17 7.152 -5.203 -1.654 148 HG2 ARG 17 2HG ARG 17 7.550 -3.277 -3.073 149 HG3 ARG 17 1HG ARG 17 9.186 -3.843 -3.414 150 HD2 ARG 17 2HD ARG 17 6.620 -5.256 -4.157 151 HD3 ARG 17 1HD ARG 17 7.684 -4.374 -5.253 152 HE ARG 17 HE ARG 17 9.195 -6.315 -3.947 153 HH11 ARG 17 1HH1 ARG 17 6.729 -6.121 -6.487 154 HH12 ARG 17 2HH1 ARG 17 7.042 -7.661 -7.123 155 HH21 ARG 17 1HH2 ARG 17 9.643 -8.417 -4.840 156 HH22 ARG 17 2HH2 ARG 17 8.755 -8.992 -6.174 157 HN1 NH2 18 1H ARG 17 10.687 -4.939 0.805 158 HN2 NH2 18 2H ARG 17 12.044 -4.218 0.012 Start of MODEL 5 1 H1 ARG 1 1HT ARG 1 11.695 -1.085 -0.629 2 H2 ARG 1 2HT ARG 1 13.284 -1.364 -1.139 3 H3 ARG 1 3HT ARG 1 12.104 -1.036 -2.261 4 HA ARG 1 HA ARG 1 12.984 0.811 -0.127 5 HB2 ARG 1 2HB ARG 1 14.772 0.541 -1.765 6 HB3 ARG 1 1HB ARG 1 13.643 0.797 -3.083 7 HG2 ARG 1 2HG ARG 1 15.000 2.781 -2.727 8 HG3 ARG 1 1HG ARG 1 13.309 3.111 -2.364 9 HD2 ARG 1 2HD ARG 1 13.787 2.847 0.033 10 HD3 ARG 1 1HD ARG 1 15.487 2.556 -0.340 11 HE ARG 1 HE ARG 1 14.603 4.982 -1.466 12 HH11 ARG 1 1HH1 ARG 1 15.528 3.596 1.660 13 HH12 ARG 1 2HH1 ARG 1 16.024 5.064 2.342 14 HH21 ARG 1 1HH2 ARG 1 15.263 7.028 -0.496 15 HH22 ARG 1 2HH2 ARG 1 15.831 7.077 1.099 16 H TRP 2 HN TRP 2 11.164 0.446 -3.176 17 HA TRP 2 HA TRP 2 9.876 2.963 -2.699 18 HB2 TRP 2 2HB TRP 2 9.476 0.955 -4.922 19 HB3 TRP 2 1HB TRP 2 8.884 2.613 -4.889 20 HD1 TRP 2 1HD TRP 2 12.031 0.571 -5.446 21 HE1 TRP 2 1HE TRP 2 13.858 2.058 -6.450 22 HE3 TRP 2 3HE TRP 2 9.696 5.091 -4.995 23 HZ2 TRP 2 2HZ TRP 2 14.260 4.806 -6.985 24 HZ3 TRP 2 3HZ TRP 2 10.877 7.104 -5.782 25 HH2 TRP 2 2HH TRP 2 13.110 6.959 -6.752 26 H CYS 3 HN CYS 3 7.624 3.156 -2.441 27 HA CYS 3 HA CYS 3 6.247 0.685 -1.672 28 HB2 CYS 3 2HB CYS 3 6.048 3.355 -0.281 29 HB3 CYS 3 1HB CYS 3 5.225 1.868 0.166 30 H PHE 4 HN PHE 4 4.183 0.564 -2.228 31 HA PHE 4 HA PHE 4 3.133 2.822 -3.717 32 HB2 PHE 4 2HB PHE 4 1.922 1.140 -5.147 33 HB3 PHE 4 1HB PHE 4 3.682 1.064 -5.234 34 HD1 PHE 4 1HD PHE 4 4.904 -0.856 -4.467 35 HD2 PHE 4 2HD PHE 4 0.677 -0.667 -4.107 36 HE1 PHE 4 1HE PHE 4 4.843 -3.271 -4.013 37 HE2 PHE 4 2HE PHE 4 0.598 -3.067 -3.642 38 HZ PHE 4 HZ PHE 4 2.689 -4.386 -3.596 39 H ARG 5 HN ARG 5 1.012 3.379 -3.324 40 HA ARG 5 HA ARG 5 0.075 2.339 -0.773 41 HB2 ARG 5 2HB ARG 5 0.579 4.785 -1.090 42 HB3 ARG 5 1HB ARG 5 -0.764 4.841 -2.216 43 HG2 ARG 5 2HG ARG 5 -2.300 4.236 -0.428 44 HG3 ARG 5 1HG ARG 5 -0.951 4.155 0.709 45 HD2 ARG 5 2HD ARG 5 -0.433 6.523 0.201 46 HD3 ARG 5 1HD ARG 5 -1.858 6.577 -0.830 47 HE ARG 5 HE ARG 5 -2.263 5.830 1.962 48 HH11 ARG 5 1HH1 ARG 5 -2.473 8.346 -0.533 49 HH12 ARG 5 2HH1 ARG 5 -3.435 9.380 0.403 50 HH21 ARG 5 1HH2 ARG 5 -3.641 7.267 3.234 51 HH22 ARG 5 2HH2 ARG 5 -4.113 8.754 2.550 52 H VAL 6 HN VAL 6 -1.505 1.026 -0.757 53 HA VAL 6 HA VAL 6 -3.264 0.762 -3.085 54 HB VAL 6 HB VAL 6 -2.379 -1.282 -1.004 55 HG11 VAL 6 1HG1 VAL 6 -4.397 -1.691 -3.217 56 HG12 VAL 6 2HG1 VAL 6 -4.785 -1.615 -1.499 57 HG13 VAL 6 3HG1 VAL 6 -3.784 -2.928 -2.119 58 HG21 VAL 6 1HG2 VAL 6 -0.814 -0.890 -2.761 59 HG22 VAL 6 2HG2 VAL 6 -2.067 -1.119 -3.983 60 HG23 VAL 6 3HG2 VAL 6 -1.558 -2.475 -2.975 61 H CYS 7 HN CYS 7 -5.463 0.774 -2.770 62 HA CYS 7 HA CYS 7 -6.313 1.666 -0.124 63 HB2 CYS 7 2HB CYS 7 -7.531 2.186 -2.842 64 HB3 CYS 7 1HB CYS 7 -8.178 2.735 -1.298 65 H TYR 8 HN TYR 8 -7.647 0.496 0.939 66 HA TYR 8 HA TYR 8 -9.191 -1.607 -0.401 67 HB2 TYR 8 2HB TYR 8 -7.215 -2.585 0.744 68 HB3 TYR 8 1HB TYR 8 -7.721 -1.757 2.222 69 HD1 TYR 8 1HD TYR 8 -8.779 -4.365 -0.203 70 HD2 TYR 8 2HD TYR 8 -9.215 -2.767 3.707 71 HE1 TYR 8 1HE TYR 8 -10.126 -6.302 0.434 72 HE2 TYR 8 2HE TYR 8 -10.569 -4.698 4.358 73 HH TYR 8 HH TYR 8 -11.978 -6.405 3.262 74 H ARG 9 HN ARG 9 -11.181 -0.745 -0.220 75 HA ARG 9 HA ARG 9 -13.163 -0.085 0.696 76 HB2 ARG 9 2HB ARG 9 -11.896 -1.202 3.204 77 HB3 ARG 9 1HB ARG 9 -13.556 -0.645 3.120 78 HG2 ARG 9 2HG ARG 9 -12.386 -2.907 1.515 79 HG3 ARG 9 1HG ARG 9 -13.387 -3.074 2.958 80 HD2 ARG 9 2HD ARG 9 -15.182 -1.822 1.771 81 HD3 ARG 9 1HD ARG 9 -14.189 -1.877 0.313 82 HE ARG 9 HE ARG 9 -14.872 -4.371 1.639 83 HH11 ARG 9 1HH1 ARG 9 -15.298 -2.227 -1.140 84 HH12 ARG 9 2HH1 ARG 9 -16.234 -3.343 -2.020 85 HH21 ARG 9 1HH2 ARG 9 -16.168 -5.913 0.407 86 HH22 ARG 9 2HH2 ARG 9 -16.748 -5.463 -1.123 87 H GLY 10 HN GLY 10 -10.839 1.779 0.671 88 HA2 GLY 10 2HA GLY 10 -11.211 4.132 1.113 89 HA3 GLY 10 1HA GLY 10 -11.889 3.661 2.664 90 H ILE 11 HN ILE 11 -9.747 1.637 3.046 91 HA ILE 11 HA ILE 11 -7.926 3.445 4.336 92 HB ILE 11 HB ILE 11 -7.822 0.399 4.245 93 HG12 ILE 11 2HG1 ILE 11 -8.546 0.616 6.714 94 HG13 ILE 11 1HG1 ILE 11 -9.061 2.243 6.299 95 HG21 ILE 11 1HG2 ILE 11 -6.285 0.522 6.115 96 HG22 ILE 11 2HG2 ILE 11 -6.389 2.280 6.098 97 HG23 ILE 11 3HG2 ILE 11 -5.664 1.436 4.735 98 HD11 ILE 11 1HD1 ILE 11 -10.081 -0.305 5.067 99 HD12 ILE 11 2HD1 ILE 11 -10.650 1.322 4.695 100 HD13 ILE 11 3HD1 ILE 11 -10.907 0.642 6.305 101 H CYS 12 HN CYS 12 -6.377 4.323 3.117 102 HA CYS 12 HA CYS 12 -5.153 2.650 1.051 103 HB2 CYS 12 2HB CYS 12 -4.986 5.656 1.360 104 HB3 CYS 12 1HB CYS 12 -4.303 4.666 0.068 105 H TYR 13 HN TYR 13 -3.434 1.702 1.653 106 HA TYR 13 HA TYR 13 -1.685 2.973 3.647 107 HB2 TYR 13 2HB TYR 13 -1.253 0.665 4.526 108 HB3 TYR 13 1HB TYR 13 -2.899 1.235 4.778 109 HD1 TYR 13 1HD TYR 13 -4.767 0.219 3.557 110 HD2 TYR 13 2HD TYR 13 -0.792 -1.203 2.979 111 HE1 TYR 13 1HE TYR 13 -5.646 -1.769 2.483 112 HE2 TYR 13 2HE TYR 13 -1.660 -3.183 1.921 113 HH TYR 13 HH TYR 13 -4.860 -3.505 0.859 114 H ARG 14 HN ARG 14 0.523 2.318 3.561 115 HA ARG 14 HA ARG 14 1.460 1.955 0.862 116 HB2 ARG 14 2HB ARG 14 2.820 2.497 3.477 117 HB3 ARG 14 1HB ARG 14 3.723 2.117 2.024 118 HG2 ARG 14 2HG ARG 14 2.939 4.089 0.941 119 HG3 ARG 14 1HG ARG 14 1.796 4.413 2.247 120 HD2 ARG 14 2HD ARG 14 3.876 5.799 2.339 121 HD3 ARG 14 1HD ARG 14 3.571 4.850 3.790 122 HE ARG 14 HE ARG 14 5.238 3.336 2.161 123 HH11 ARG 14 1HH1 ARG 14 5.416 6.356 3.969 124 HH12 ARG 14 2HH1 ARG 14 7.104 6.280 4.204 125 HH21 ARG 14 1HH2 ARG 14 7.550 3.222 2.493 126 HH22 ARG 14 2HH2 ARG 14 8.336 4.455 3.344 127 H LYS 15 HN LYS 15 2.182 0.168 0.016 128 HA LYS 15 HA LYS 15 2.929 -2.054 1.764 129 HB2 LYS 15 2HB LYS 15 2.082 -2.000 -1.142 130 HB3 LYS 15 1HB LYS 15 2.737 -3.419 -0.343 131 HG2 LYS 15 2HG LYS 15 0.836 -3.441 1.191 132 HG3 LYS 15 1HG LYS 15 0.183 -2.004 0.398 133 HD2 LYS 15 2HD LYS 15 -0.047 -3.171 -1.659 134 HD3 LYS 15 1HD LYS 15 0.753 -4.606 -1.007 135 HE2 LYS 15 2HE LYS 15 -1.882 -3.454 -0.086 136 HE3 LYS 15 1HE LYS 15 -1.694 -4.842 -1.140 137 HZ1 LYS 15 1HZ LYS 15 -0.564 -6.013 0.598 138 HZ2 LYS 15 2HZ LYS 15 -2.075 -5.542 1.143 139 HZ3 LYS 15 3HZ LYS 15 -0.684 -4.737 1.670 140 H CYS 16 HN CYS 16 5.024 -2.353 1.932 141 HA CYS 16 HA CYS 16 6.745 -1.059 -0.050 142 HB2 CYS 16 2HB CYS 16 7.206 -1.501 2.899 143 HB3 CYS 16 1HB CYS 16 8.377 -0.817 1.774 144 H ARG 17 HN ARG 17 8.352 -2.201 -0.940 145 HA ARG 17 HA ARG 17 8.856 -4.859 0.134 146 HB2 ARG 17 2HB ARG 17 8.745 -4.080 -2.788 147 HB3 ARG 17 1HB ARG 17 9.334 -5.628 -2.198 148 HG2 ARG 17 2HG ARG 17 7.064 -5.972 -1.153 149 HG3 ARG 17 1HG ARG 17 6.540 -4.535 -2.020 150 HD2 ARG 17 2HD ARG 17 7.097 -5.573 -4.139 151 HD3 ARG 17 1HD ARG 17 7.699 -7.002 -3.298 152 HE ARG 17 HE ARG 17 4.978 -6.300 -2.695 153 HH11 ARG 17 1HH1 ARG 17 7.099 -8.308 -4.696 154 HH12 ARG 17 2HH1 ARG 17 5.870 -9.339 -5.243 155 HH21 ARG 17 1HH2 ARG 17 3.285 -7.730 -3.408 156 HH22 ARG 17 2HH2 ARG 17 3.603 -8.985 -4.488 157 HN1 NH2 18 1H ARG 17 10.629 -4.475 1.187 158 HN2 NH2 18 2H ARG 17 12.055 -3.720 0.564 Start of MODEL 6 1 H1 ARG 1 1HT ARG 1 14.025 2.103 -0.543 2 H2 ARG 1 2HT ARG 1 14.289 3.220 -1.783 3 H3 ARG 1 3HT ARG 1 15.198 1.813 -1.737 4 HA ARG 1 HA ARG 1 13.450 1.707 -3.400 5 HB2 ARG 1 2HB ARG 1 14.078 -0.379 -2.144 6 HB3 ARG 1 1HB ARG 1 12.809 -0.023 -0.984 7 HG2 ARG 1 2HG ARG 1 11.143 -0.234 -2.782 8 HG3 ARG 1 1HG ARG 1 12.438 -0.638 -3.906 9 HD2 ARG 1 2HD ARG 1 11.683 -2.202 -1.438 10 HD3 ARG 1 1HD ARG 1 11.286 -2.638 -3.095 11 HE ARG 1 HE ARG 1 14.102 -2.356 -2.345 12 HH11 ARG 1 1HH1 ARG 1 11.445 -4.497 -3.321 13 HH12 ARG 1 2HH1 ARG 1 12.424 -5.866 -3.493 14 HH21 ARG 1 1HH2 ARG 1 15.458 -4.225 -2.616 15 HH22 ARG 1 2HH2 ARG 1 14.792 -5.710 -3.088 16 H TRP 2 HN TRP 2 11.436 2.384 -3.972 17 HA TRP 2 HA TRP 2 9.910 3.714 -1.931 18 HB2 TRP 2 2HB TRP 2 9.582 3.675 -4.931 19 HB3 TRP 2 1HB TRP 2 8.500 4.535 -3.832 20 HD1 TRP 2 1HD TRP 2 11.688 4.880 -5.635 21 HE1 TRP 2 1HE TRP 2 12.871 7.108 -4.975 22 HE3 TRP 2 3HE TRP 2 8.828 6.126 -1.627 23 HZ2 TRP 2 2HZ TRP 2 12.595 9.081 -2.993 24 HZ3 TRP 2 3HZ TRP 2 9.340 8.190 -0.390 25 HH2 TRP 2 2HH TRP 2 11.184 9.631 -1.062 26 H CYS 3 HN CYS 3 7.443 3.434 -2.154 27 HA CYS 3 HA CYS 3 6.888 0.573 -2.455 28 HB2 CYS 3 2HB CYS 3 5.888 2.397 -0.273 29 HB3 CYS 3 1HB CYS 3 5.580 0.672 -0.431 30 H PHE 4 HN PHE 4 4.399 0.316 -2.297 31 HA PHE 4 HA PHE 4 3.190 2.433 -3.878 32 HB2 PHE 4 2HB PHE 4 1.803 0.655 -4.944 33 HB3 PHE 4 1HB PHE 4 3.528 0.462 -5.248 34 HD1 PHE 4 1HD PHE 4 0.642 -0.873 -3.420 35 HD2 PHE 4 2HD PHE 4 4.705 -1.467 -4.511 36 HE1 PHE 4 1HE PHE 4 0.489 -3.166 -2.652 37 HE2 PHE 4 2HE PHE 4 4.576 -3.793 -3.743 38 HZ PHE 4 HZ PHE 4 2.469 -4.665 -2.811 39 H ARG 5 HN ARG 5 0.809 2.531 -3.520 40 HA ARG 5 HA ARG 5 0.294 1.782 -0.753 41 HB2 ARG 5 2HB ARG 5 0.709 4.242 -1.196 42 HB3 ARG 5 1HB ARG 5 -0.799 4.249 -2.100 43 HG2 ARG 5 2HG ARG 5 -2.050 3.736 -0.168 44 HG3 ARG 5 1HG ARG 5 -0.597 3.372 0.757 45 HD2 ARG 5 2HD ARG 5 0.091 5.767 0.403 46 HD3 ARG 5 1HD ARG 5 -1.530 6.052 -0.237 47 HE ARG 5 HE ARG 5 -1.984 4.851 2.155 48 HH11 ARG 5 1HH1 ARG 5 -0.278 7.800 1.211 49 HH12 ARG 5 2HH1 ARG 5 -0.425 8.510 2.754 50 HH21 ARG 5 1HH2 ARG 5 -2.165 5.793 4.203 51 HH22 ARG 5 2HH2 ARG 5 -1.529 7.354 4.478 52 H VAL 6 HN VAL 6 -1.445 0.650 -0.396 53 HA VAL 6 HA VAL 6 -3.124 -0.013 -2.707 54 HB VAL 6 HB VAL 6 -2.696 -1.525 -0.107 55 HG11 VAL 6 1HG1 VAL 6 -4.180 -2.360 -2.597 56 HG12 VAL 6 2HG1 VAL 6 -4.914 -1.907 -1.060 57 HG13 VAL 6 3HG1 VAL 6 -3.904 -3.348 -1.158 58 HG21 VAL 6 1HG2 VAL 6 -0.722 -1.590 -1.453 59 HG22 VAL 6 2HG2 VAL 6 -1.665 -2.058 -2.866 60 HG23 VAL 6 3HG2 VAL 6 -1.524 -3.162 -1.496 61 H CYS 7 HN CYS 7 -5.248 0.453 -2.642 62 HA CYS 7 HA CYS 7 -6.258 1.504 -0.120 63 HB2 CYS 7 2HB CYS 7 -7.180 2.071 -2.944 64 HB3 CYS 7 1HB CYS 7 -7.947 2.689 -1.484 65 H TYR 8 HN TYR 8 -7.769 0.529 0.862 66 HA TYR 8 HA TYR 8 -9.404 -1.496 -0.470 67 HB2 TYR 8 2HB TYR 8 -7.560 -2.586 0.817 68 HB3 TYR 8 1HB TYR 8 -8.085 -1.680 2.235 69 HD1 TYR 8 1HD TYR 8 -9.195 -4.293 -0.164 70 HD2 TYR 8 2HD TYR 8 -9.743 -2.513 3.659 71 HE1 TYR 8 1HE TYR 8 -10.721 -6.102 0.457 72 HE2 TYR 8 2HE TYR 8 -11.268 -4.307 4.288 73 HH TYR 8 HH TYR 8 -11.587 -7.172 2.491 74 H ARG 9 HN ARG 9 -11.300 -0.378 -0.420 75 HA ARG 9 HA ARG 9 -13.271 0.424 0.390 76 HB2 ARG 9 2HB ARG 9 -12.233 -0.729 2.975 77 HB3 ARG 9 1HB ARG 9 -13.852 -0.075 2.775 78 HG2 ARG 9 2HG ARG 9 -12.710 -2.388 1.222 79 HG3 ARG 9 1HG ARG 9 -13.785 -2.527 2.611 80 HD2 ARG 9 2HD ARG 9 -14.421 -1.212 -0.032 81 HD3 ARG 9 1HD ARG 9 -15.047 -2.749 0.555 82 HE ARG 9 HE ARG 9 -15.727 -0.960 2.478 83 HH11 ARG 9 1HH1 ARG 9 -16.393 -1.274 -0.984 84 HH12 ARG 9 2HH1 ARG 9 -17.845 -0.392 -0.928 85 HH21 ARG 9 1HH2 ARG 9 -17.749 0.222 2.568 86 HH22 ARG 9 2HH2 ARG 9 -18.641 0.447 1.136 87 H GLY 10 HN GLY 10 -10.802 2.088 0.504 88 HA2 GLY 10 2HA GLY 10 -10.998 4.482 0.841 89 HA3 GLY 10 1HA GLY 10 -11.866 4.142 2.335 90 H ILE 11 HN ILE 11 -9.879 1.913 2.846 91 HA ILE 11 HA ILE 11 -8.002 3.547 4.288 92 HB ILE 11 HB ILE 11 -8.205 0.520 4.078 93 HG12 ILE 11 2HG1 ILE 11 -8.925 0.714 6.540 94 HG13 ILE 11 1HG1 ILE 11 -9.235 2.412 6.204 95 HG21 ILE 11 1HG2 ILE 11 -6.694 0.408 5.995 96 HG22 ILE 11 2HG2 ILE 11 -6.501 2.159 5.934 97 HG23 ILE 11 3HG2 ILE 11 -5.958 1.165 4.584 98 HD11 ILE 11 1HD1 ILE 11 -10.888 1.763 4.538 99 HD12 ILE 11 2HD1 ILE 11 -11.259 1.043 6.113 100 HD13 ILE 11 3HD1 ILE 11 -10.516 0.068 4.835 101 H CYS 12 HN CYS 12 -6.268 4.275 3.226 102 HA CYS 12 HA CYS 12 -5.128 2.500 1.206 103 HB2 CYS 12 2HB CYS 12 -4.801 5.497 1.447 104 HB3 CYS 12 1HB CYS 12 -4.058 4.444 0.241 105 H TYR 13 HN TYR 13 -3.511 1.436 1.905 106 HA TYR 13 HA TYR 13 -1.800 2.654 3.951 107 HB2 TYR 13 2HB TYR 13 -1.305 0.326 4.730 108 HB3 TYR 13 1HB TYR 13 -2.965 0.837 4.979 109 HD1 TYR 13 1HD TYR 13 -4.776 -0.281 3.868 110 HD2 TYR 13 2HD TYR 13 -0.757 -1.384 3.004 111 HE1 TYR 13 1HE TYR 13 -5.588 -2.291 2.764 112 HE2 TYR 13 2HE TYR 13 -1.556 -3.423 1.894 113 HH TYR 13 HH TYR 13 -3.553 -4.886 1.927 114 H ARG 14 HN ARG 14 0.367 2.452 3.801 115 HA ARG 14 HA ARG 14 1.416 2.024 1.175 116 HB2 ARG 14 2HB ARG 14 2.320 3.853 2.480 117 HB3 ARG 14 1HB ARG 14 2.706 2.776 3.809 118 HG2 ARG 14 2HG ARG 14 4.412 1.685 2.442 119 HG3 ARG 14 1HG ARG 14 4.004 2.737 1.086 120 HD2 ARG 14 2HD ARG 14 4.692 4.681 2.336 121 HD3 ARG 14 1HD ARG 14 4.992 3.701 3.771 122 HE ARG 14 HE ARG 14 6.678 2.537 2.223 123 HH11 ARG 14 1HH1 ARG 14 6.000 6.012 2.205 124 HH12 ARG 14 2HH1 ARG 14 7.526 6.492 1.664 125 HH21 ARG 14 1HH2 ARG 14 8.818 3.157 1.491 126 HH22 ARG 14 2HH2 ARG 14 9.208 4.786 1.245 127 H LYS 15 HN LYS 15 2.209 0.203 0.428 128 HA LYS 15 HA LYS 15 2.886 -1.882 2.348 129 HB2 LYS 15 2HB LYS 15 0.780 -2.365 1.145 130 HB3 LYS 15 1HB LYS 15 1.612 -2.168 -0.385 131 HG2 LYS 15 2HG LYS 15 2.986 -4.130 0.096 132 HG3 LYS 15 1HG LYS 15 2.178 -4.303 1.662 133 HD2 LYS 15 2HD LYS 15 0.053 -4.692 0.572 134 HD3 LYS 15 1HD LYS 15 0.765 -4.375 -1.002 135 HE2 LYS 15 2HE LYS 15 0.473 -6.756 -0.638 136 HE3 LYS 15 1HE LYS 15 2.177 -6.347 -0.786 137 HZ1 LYS 15 1HZ LYS 15 2.373 -6.503 1.628 138 HZ2 LYS 15 2HZ LYS 15 1.760 -7.931 0.968 139 HZ3 LYS 15 3HZ LYS 15 0.724 -6.863 1.750 140 H CYS 16 HN CYS 16 4.904 -2.565 2.171 141 HA CYS 16 HA CYS 16 6.438 -1.754 -0.197 142 HB2 CYS 16 2HB CYS 16 7.378 -2.111 2.654 143 HB3 CYS 16 1HB CYS 16 8.393 -1.649 1.293 144 H ARG 17 HN ARG 17 8.047 -3.254 -0.896 145 HA ARG 17 HA ARG 17 7.397 -6.018 -0.153 146 HB2 ARG 17 2HB ARG 17 8.689 -4.911 -2.643 147 HB3 ARG 17 1HB ARG 17 8.405 -6.619 -2.344 148 HG2 ARG 17 2HG ARG 17 6.014 -6.260 -2.357 149 HG3 ARG 17 1HG ARG 17 6.255 -4.519 -2.523 150 HD2 ARG 17 2HD ARG 17 5.695 -5.514 -4.670 151 HD3 ARG 17 1HD ARG 17 7.335 -4.882 -4.685 152 HE ARG 17 HE ARG 17 7.286 -7.622 -3.989 153 HH11 ARG 17 1HH1 ARG 17 7.056 -5.434 -6.775 154 HH12 ARG 17 2HH1 ARG 17 7.627 -6.599 -7.889 155 HH21 ARG 17 1HH2 ARG 17 8.055 -9.198 -5.552 156 HH22 ARG 17 2HH2 ARG 17 8.211 -8.749 -7.195 157 HN1 NH2 18 1H ARG 17 8.730 -6.288 1.567 158 HN2 NH2 18 2H ARG 17 10.451 -6.205 1.486 Start of MODEL 7 1 H1 ARG 1 1HT ARG 1 14.332 3.309 -1.349 2 H2 ARG 1 2HT ARG 1 14.621 3.028 -2.973 3 H3 ARG 1 3HT ARG 1 15.345 2.035 -1.835 4 HA ARG 1 HA ARG 1 13.522 0.940 -2.924 5 HB2 ARG 1 2HB ARG 1 12.203 0.275 -0.975 6 HB3 ARG 1 1HB ARG 1 13.908 0.359 -0.565 7 HG2 ARG 1 2HG ARG 1 13.604 2.387 0.638 8 HG3 ARG 1 1HG ARG 1 11.955 2.576 0.034 9 HD2 ARG 1 2HD ARG 1 11.276 0.594 1.248 10 HD3 ARG 1 1HD ARG 1 12.924 0.337 1.814 11 HE ARG 1 HE ARG 1 12.386 2.813 2.676 12 HH11 ARG 1 1HH1 ARG 1 10.538 -0.174 2.934 13 HH12 ARG 1 2HH1 ARG 1 9.891 0.146 4.470 14 HH21 ARG 1 1HH2 ARG 1 11.482 3.301 4.826 15 HH22 ARG 1 2HH2 ARG 1 10.438 2.178 5.576 16 H TRP 2 HN TRP 2 11.331 0.880 -3.475 17 HA TRP 2 HA TRP 2 9.899 3.383 -3.051 18 HB2 TRP 2 2HB TRP 2 9.787 1.543 -5.451 19 HB3 TRP 2 1HB TRP 2 8.641 2.845 -5.159 20 HD1 TRP 2 1HD TRP 2 10.075 5.336 -4.738 21 HE1 TRP 2 1HE TRP 2 11.847 6.304 -6.330 22 HE3 TRP 2 3HE TRP 2 11.408 1.047 -7.137 23 HZ2 TRP 2 2HZ TRP 2 13.583 5.363 -8.349 24 HZ3 TRP 2 3HZ TRP 2 13.134 1.164 -8.887 25 HH2 TRP 2 2HH TRP 2 14.190 3.280 -9.475 26 H CYS 3 HN CYS 3 7.942 3.193 -2.176 27 HA CYS 3 HA CYS 3 6.907 0.480 -1.840 28 HB2 CYS 3 2HB CYS 3 6.756 2.785 0.116 29 HB3 CYS 3 1HB CYS 3 5.912 1.251 0.308 30 H PHE 4 HN PHE 4 4.636 0.285 -1.899 31 HA PHE 4 HA PHE 4 3.472 2.345 -3.607 32 HB2 PHE 4 2HB PHE 4 2.009 0.455 -4.400 33 HB3 PHE 4 1HB PHE 4 3.716 0.298 -4.791 34 HD1 PHE 4 1HD PHE 4 5.073 -1.435 -3.753 35 HD2 PHE 4 2HD PHE 4 0.962 -1.030 -2.810 36 HE1 PHE 4 1HE PHE 4 5.105 -3.662 -2.720 37 HE2 PHE 4 2HE PHE 4 0.966 -3.246 -1.767 38 HZ PHE 4 HZ PHE 4 3.047 -4.580 -1.719 39 H ARG 5 HN ARG 5 1.182 2.717 -3.382 40 HA ARG 5 HA ARG 5 0.266 2.222 -0.644 41 HB2 ARG 5 2HB ARG 5 0.670 4.621 -1.422 42 HB3 ARG 5 1HB ARG 5 -0.687 4.395 -2.513 43 HG2 ARG 5 2HG ARG 5 -2.165 4.022 -0.623 44 HG3 ARG 5 1HG ARG 5 -0.802 4.182 0.487 45 HD2 ARG 5 2HD ARG 5 -0.436 6.482 -0.440 46 HD3 ARG 5 1HD ARG 5 -1.953 6.294 -1.320 47 HE ARG 5 HE ARG 5 -2.012 5.878 1.546 48 HH11 ARG 5 1HH1 ARG 5 -2.638 8.123 -1.128 49 HH12 ARG 5 2HH1 ARG 5 -3.674 9.127 -0.229 50 HH21 ARG 5 1HH2 ARG 5 -3.444 7.296 2.781 51 HH22 ARG 5 2HH2 ARG 5 -4.130 8.654 2.014 52 H VAL 6 HN VAL 6 -1.578 1.108 -0.383 53 HA VAL 6 HA VAL 6 -3.062 0.346 -2.808 54 HB VAL 6 HB VAL 6 -2.652 -1.333 -0.294 55 HG11 VAL 6 1HG1 VAL 6 -4.027 -2.056 -2.884 56 HG12 VAL 6 2HG1 VAL 6 -4.820 -1.768 -1.335 57 HG13 VAL 6 3HG1 VAL 6 -3.740 -3.148 -1.528 58 HG21 VAL 6 1HG2 VAL 6 -0.630 -1.235 -1.569 59 HG22 VAL 6 2HG2 VAL 6 -1.497 -1.657 -3.048 60 HG23 VAL 6 3HG2 VAL 6 -1.357 -2.834 -1.738 61 H CYS 7 HN CYS 7 -5.272 0.514 -2.691 62 HA CYS 7 HA CYS 7 -6.318 1.584 -0.180 63 HB2 CYS 7 2HB CYS 7 -7.257 2.075 -3.011 64 HB3 CYS 7 1HB CYS 7 -8.086 2.645 -1.566 65 H TYR 8 HN TYR 8 -7.798 0.520 0.841 66 HA TYR 8 HA TYR 8 -9.318 -1.589 -0.519 67 HB2 TYR 8 2HB TYR 8 -7.438 -2.604 0.728 68 HB3 TYR 8 1HB TYR 8 -7.957 -1.708 2.159 69 HD1 TYR 8 1HD TYR 8 -9.486 -2.623 3.646 70 HD2 TYR 8 2HD TYR 8 -9.081 -4.335 -0.220 71 HE1 TYR 8 1HE TYR 8 -10.949 -4.451 4.321 72 HE2 TYR 8 2HE TYR 8 -10.548 -6.180 0.434 73 HH TYR 8 HH TYR 8 -11.282 -7.286 2.463 74 H ARG 9 HN ARG 9 -11.308 -0.606 -0.469 75 HA ARG 9 HA ARG 9 -13.297 0.152 0.330 76 HB2 ARG 9 2HB ARG 9 -12.286 -1.118 2.874 77 HB3 ARG 9 1HB ARG 9 -13.909 -0.479 2.691 78 HG2 ARG 9 2HG ARG 9 -12.691 -2.761 1.143 79 HG3 ARG 9 1HG ARG 9 -13.909 -2.868 2.417 80 HD2 ARG 9 2HD ARG 9 -14.244 -1.564 -0.291 81 HD3 ARG 9 1HD ARG 9 -14.971 -3.073 0.249 82 HE ARG 9 HE ARG 9 -15.809 -1.209 2.061 83 HH11 ARG 9 1HH1 ARG 9 -16.042 -1.451 -1.466 84 HH12 ARG 9 2HH1 ARG 9 -17.526 -0.641 -1.548 85 HH21 ARG 9 1HH2 ARG 9 -17.787 -0.063 1.930 86 HH22 ARG 9 2HH2 ARG 9 -18.544 0.189 0.424 87 H GLY 10 HN GLY 10 -10.931 1.847 0.503 88 HA2 GLY 10 2HA GLY 10 -11.200 4.202 0.915 89 HA3 GLY 10 1HA GLY 10 -11.996 3.797 2.436 90 H ILE 11 HN ILE 11 -9.981 1.651 2.889 91 HA ILE 11 HA ILE 11 -8.134 3.292 4.332 92 HB ILE 11 HB ILE 11 -8.234 0.263 4.035 93 HG12 ILE 11 2HG1 ILE 11 -8.935 0.366 6.515 94 HG13 ILE 11 1HG1 ILE 11 -9.259 2.069 6.236 95 HG21 ILE 11 1HG2 ILE 11 -6.708 0.142 5.954 96 HG22 ILE 11 2HG2 ILE 11 -6.524 1.897 5.893 97 HG23 ILE 11 3HG2 ILE 11 -5.994 0.901 4.536 98 HD11 ILE 11 1HD1 ILE 11 -10.552 -0.221 4.790 99 HD12 ILE 11 2HD1 ILE 11 -10.940 1.487 4.584 100 HD13 ILE 11 3HD1 ILE 11 -11.280 0.683 6.122 101 H CYS 12 HN CYS 12 -6.733 4.298 3.031 102 HA CYS 12 HA CYS 12 -5.269 2.671 1.106 103 HB2 CYS 12 2HB CYS 12 -5.289 5.686 1.434 104 HB3 CYS 12 1HB CYS 12 -4.385 4.779 0.225 105 H TYR 13 HN TYR 13 -3.515 1.813 1.767 106 HA TYR 13 HA TYR 13 -1.963 3.117 3.900 107 HB2 TYR 13 2HB TYR 13 -1.414 0.846 4.721 108 HB3 TYR 13 1HB TYR 13 -3.135 1.206 4.837 109 HD1 TYR 13 1HD TYR 13 -0.594 -0.935 3.347 110 HD2 TYR 13 2HD TYR 13 -4.719 0.101 3.260 111 HE1 TYR 13 1HE TYR 13 -1.084 -2.988 2.116 112 HE2 TYR 13 2HE TYR 13 -5.229 -1.928 2.052 113 HH TYR 13 HH TYR 13 -2.975 -4.476 1.711 114 H ARG 14 HN ARG 14 0.312 2.462 3.895 115 HA ARG 14 HA ARG 14 1.228 2.055 1.152 116 HB2 ARG 14 2HB ARG 14 1.955 4.160 2.145 117 HB3 ARG 14 1HB ARG 14 2.623 3.306 3.527 118 HG2 ARG 14 2HG ARG 14 4.330 2.321 2.176 119 HG3 ARG 14 1HG ARG 14 3.589 2.944 0.701 120 HD2 ARG 14 2HD ARG 14 5.520 4.282 1.370 121 HD3 ARG 14 1HD ARG 14 4.030 5.218 1.421 122 HE ARG 14 HE ARG 14 4.658 4.097 3.956 123 HH11 ARG 14 1HH1 ARG 14 5.504 6.755 1.774 124 HH12 ARG 14 2HH1 ARG 14 6.015 7.790 3.029 125 HH21 ARG 14 1HH2 ARG 14 5.348 5.528 5.659 126 HH22 ARG 14 2HH2 ARG 14 5.928 7.091 5.260 127 H LYS 15 HN LYS 15 2.388 0.314 0.643 128 HA LYS 15 HA LYS 15 3.296 -1.409 2.826 129 HB2 LYS 15 2HB LYS 15 1.088 -2.162 1.871 130 HB3 LYS 15 1HB LYS 15 1.883 -2.349 0.319 131 HG2 LYS 15 2HG LYS 15 3.328 -4.078 1.253 132 HG3 LYS 15 1HG LYS 15 2.572 -3.861 2.834 133 HD2 LYS 15 2HD LYS 15 0.388 -4.462 1.806 134 HD3 LYS 15 1HD LYS 15 1.234 -4.803 0.301 135 HE2 LYS 15 2HE LYS 15 1.729 -6.179 2.940 136 HE3 LYS 15 1HE LYS 15 0.764 -6.829 1.621 137 HZ1 LYS 15 1HZ LYS 15 3.698 -6.275 1.530 138 HZ2 LYS 15 2HZ LYS 15 2.751 -6.772 0.231 139 HZ3 LYS 15 3HZ LYS 15 2.930 -7.786 1.542 140 H CYS 16 HN CYS 16 5.123 -2.680 2.246 141 HA CYS 16 HA CYS 16 6.468 -1.779 -0.192 142 HB2 CYS 16 2HB CYS 16 7.745 -2.490 2.460 143 HB3 CYS 16 1HB CYS 16 8.556 -1.892 1.016 144 H ARG 17 HN ARG 17 7.707 -3.368 -1.228 145 HA ARG 17 HA ARG 17 6.877 -6.087 -0.714 146 HB2 ARG 17 2HB ARG 17 6.784 -5.166 -2.997 147 HB3 ARG 17 1HB ARG 17 8.510 -4.862 -2.938 148 HG2 ARG 17 2HG ARG 17 8.934 -7.259 -2.807 149 HG3 ARG 17 1HG ARG 17 7.193 -7.563 -2.845 150 HD2 ARG 17 2HD ARG 17 8.750 -6.135 -4.982 151 HD3 ARG 17 1HD ARG 17 8.263 -7.827 -5.066 152 HE ARG 17 HE ARG 17 5.933 -6.641 -4.658 153 HH11 ARG 17 1HH1 ARG 17 8.507 -5.719 -6.916 154 HH12 ARG 17 2HH1 ARG 17 7.440 -5.109 -8.089 155 HH21 ARG 17 1HH2 ARG 17 4.467 -5.772 -6.293 156 HH22 ARG 17 2HH2 ARG 17 5.126 -5.145 -7.741 157 HN1 NH2 18 1H ARG 17 8.013 -6.853 0.965 158 HN2 NH2 18 2H ARG 17 9.740 -6.864 1.089 Start of MODEL 8 1 H1 ARG 1 1HT ARG 1 13.419 3.536 -2.102 2 H2 ARG 1 2HT ARG 1 13.924 3.711 -0.502 3 H3 ARG 1 3HT ARG 1 12.432 4.312 -0.992 4 HA ARG 1 HA ARG 1 13.160 1.458 -1.000 5 HB2 ARG 1 2HB ARG 1 12.848 2.437 1.306 6 HB3 ARG 1 1HB ARG 1 11.248 2.961 0.815 7 HG2 ARG 1 2HG ARG 1 10.539 0.682 0.533 8 HG3 ARG 1 1HG ARG 1 12.165 0.101 0.876 9 HD2 ARG 1 2HD ARG 1 12.009 1.097 3.121 10 HD3 ARG 1 1HD ARG 1 10.343 1.566 2.769 11 HE ARG 1 HE ARG 1 10.582 -1.142 2.254 12 HH11 ARG 1 1HH1 ARG 1 10.809 0.978 5.057 13 HH12 ARG 1 2HH1 ARG 1 10.236 -0.177 6.167 14 HH21 ARG 1 1HH2 ARG 1 9.853 -2.782 3.805 15 HH22 ARG 1 2HH2 ARG 1 9.740 -2.345 5.440 16 H TRP 2 HN TRP 2 11.660 0.151 -2.013 17 HA TRP 2 HA TRP 2 9.800 1.599 -3.664 18 HB2 TRP 2 2HB TRP 2 10.669 -1.288 -3.616 19 HB3 TRP 2 1HB TRP 2 9.346 -0.720 -4.628 20 HD1 TRP 2 1HD TRP 2 9.951 0.625 -6.795 21 HE1 TRP 2 1HE TRP 2 12.154 1.090 -8.036 22 HE3 TRP 2 3HE TRP 2 13.269 -0.858 -3.195 23 HZ2 TRP 2 2HZ TRP 2 14.897 0.867 -7.557 24 HZ3 TRP 2 3HZ TRP 2 15.667 -0.691 -3.676 25 HH2 TRP 2 2HH TRP 2 16.464 0.154 -5.818 26 H CYS 3 HN CYS 3 7.995 2.130 -2.848 27 HA CYS 3 HA CYS 3 6.422 0.170 -1.366 28 HB2 CYS 3 2HB CYS 3 6.766 3.078 -0.613 29 HB3 CYS 3 1HB CYS 3 5.685 1.932 0.162 30 H PHE 4 HN PHE 4 4.318 0.207 -1.772 31 HA PHE 4 HA PHE 4 3.397 2.162 -3.709 32 HB2 PHE 4 2HB PHE 4 2.074 0.290 -4.773 33 HB3 PHE 4 1HB PHE 4 3.826 0.145 -4.908 34 HD1 PHE 4 1HD PHE 4 5.029 -1.639 -3.851 35 HD2 PHE 4 2HD PHE 4 0.832 -1.251 -3.348 36 HE1 PHE 4 1HE PHE 4 4.932 -3.916 -2.922 37 HE2 PHE 4 2HE PHE 4 0.722 -3.509 -2.412 38 HZ PHE 4 HZ PHE 4 2.789 -4.855 -2.198 39 H ARG 5 HN ARG 5 1.153 2.663 -3.540 40 HA ARG 5 HA ARG 5 0.239 2.197 -0.802 41 HB2 ARG 5 2HB ARG 5 0.764 4.555 -1.690 42 HB3 ARG 5 1HB ARG 5 -0.701 4.382 -2.642 43 HG2 ARG 5 2HG ARG 5 -2.001 4.084 -0.599 44 HG3 ARG 5 1HG ARG 5 -0.529 4.245 0.360 45 HD2 ARG 5 2HD ARG 5 -0.211 6.494 -0.737 46 HD3 ARG 5 1HD ARG 5 -1.843 6.303 -1.377 47 HE ARG 5 HE ARG 5 -1.474 6.043 1.481 48 HH11 ARG 5 1HH1 ARG 5 -2.560 8.068 -1.207 49 HH12 ARG 5 2HH1 ARG 5 -3.409 9.170 -0.236 50 HH21 ARG 5 1HH2 ARG 5 -2.621 7.596 2.842 51 HH22 ARG 5 2HH2 ARG 5 -3.447 8.900 2.103 52 H VAL 6 HN VAL 6 -1.528 1.046 -0.531 53 HA VAL 6 HA VAL 6 -3.195 0.474 -2.878 54 HB VAL 6 HB VAL 6 -2.577 -1.382 -0.540 55 HG11 VAL 6 1HG1 VAL 6 -4.848 -1.714 -1.373 56 HG12 VAL 6 2HG1 VAL 6 -3.816 -3.082 -1.794 57 HG13 VAL 6 3HG1 VAL 6 -4.231 -1.880 -3.016 58 HG21 VAL 6 1HG2 VAL 6 -1.461 -2.771 -2.206 59 HG22 VAL 6 2HG2 VAL 6 -0.708 -1.186 -2.023 60 HG23 VAL 6 3HG2 VAL 6 -1.735 -1.521 -3.422 61 H CYS 7 HN CYS 7 -5.308 0.808 -2.643 62 HA CYS 7 HA CYS 7 -6.218 1.645 -0.003 63 HB2 CYS 7 2HB CYS 7 -7.317 2.284 -2.731 64 HB3 CYS 7 1HB CYS 7 -7.988 2.835 -1.198 65 H TYR 8 HN TYR 8 -7.646 0.539 0.976 66 HA TYR 8 HA TYR 8 -9.202 -1.500 -0.447 67 HB2 TYR 8 2HB TYR 8 -7.263 -2.476 0.783 68 HB3 TYR 8 1HB TYR 8 -7.855 -1.678 2.238 69 HD1 TYR 8 1HD TYR 8 -9.359 -2.753 3.642 70 HD2 TYR 8 2HD TYR 8 -8.791 -4.222 -0.298 71 HE1 TYR 8 1HE TYR 8 -10.683 -4.688 4.208 72 HE2 TYR 8 2HE TYR 8 -10.131 -6.202 0.234 73 HH TYR 8 HH TYR 8 -10.817 -7.461 2.122 74 H ARG 9 HN ARG 9 -11.225 -0.644 -0.302 75 HA ARG 9 HA ARG 9 -13.208 0.109 0.551 76 HB2 ARG 9 2HB ARG 9 -12.022 -0.606 3.241 77 HB3 ARG 9 1HB ARG 9 -13.712 -0.262 2.928 78 HG2 ARG 9 2HG ARG 9 -13.849 -2.273 1.530 79 HG3 ARG 9 1HG ARG 9 -12.143 -2.594 1.849 80 HD2 ARG 9 2HD ARG 9 -12.616 -2.709 4.252 81 HD3 ARG 9 1HD ARG 9 -14.324 -2.435 3.919 82 HE ARG 9 HE ARG 9 -13.585 -4.608 2.423 83 HH11 ARG 9 1HH1 ARG 9 -13.575 -3.818 5.878 84 HH12 ARG 9 2HH1 ARG 9 -13.949 -5.384 6.393 85 HH21 ARG 9 1HH2 ARG 9 -14.043 -6.801 3.142 86 HH22 ARG 9 2HH2 ARG 9 -14.206 -7.141 4.802 87 H GLY 10 HN GLY 10 -10.786 1.864 0.389 88 HA2 GLY 10 2HA GLY 10 -10.815 4.236 0.592 89 HA3 GLY 10 1HA GLY 10 -11.838 4.063 2.012 90 H ILE 11 HN ILE 11 -9.872 1.803 2.847 91 HA ILE 11 HA ILE 11 -8.133 3.519 4.355 92 HB ILE 11 HB ILE 11 -8.183 0.477 4.162 93 HG12 ILE 11 2HG1 ILE 11 -9.038 0.698 6.612 94 HG13 ILE 11 1HG1 ILE 11 -9.487 2.335 6.152 95 HG21 ILE 11 1HG2 ILE 11 -6.807 0.439 6.183 96 HG22 ILE 11 2HG2 ILE 11 -6.681 2.199 6.117 97 HG23 ILE 11 3HG2 ILE 11 -6.006 1.212 4.817 98 HD11 ILE 11 1HD1 ILE 11 -10.955 1.420 4.418 99 HD12 ILE 11 2HD1 ILE 11 -11.368 0.781 6.014 100 HD13 ILE 11 3HD1 ILE 11 -10.458 -0.209 4.869 101 H CYS 12 HN CYS 12 -6.533 4.408 3.198 102 HA CYS 12 HA CYS 12 -5.182 2.715 1.248 103 HB2 CYS 12 2HB CYS 12 -4.970 5.703 1.650 104 HB3 CYS 12 1HB CYS 12 -4.164 4.758 0.400 105 H TYR 13 HN TYR 13 -3.512 1.701 1.878 106 HA TYR 13 HA TYR 13 -1.811 2.891 3.948 107 HB2 TYR 13 2HB TYR 13 -1.253 0.522 4.615 108 HB3 TYR 13 1HB TYR 13 -2.908 1.004 4.960 109 HD1 TYR 13 1HD TYR 13 -4.757 -0.048 3.841 110 HD2 TYR 13 2HD TYR 13 -0.767 -1.104 2.815 111 HE1 TYR 13 1HE TYR 13 -5.601 -1.976 2.631 112 HE2 TYR 13 2HE TYR 13 -1.592 -3.052 1.587 113 HH TYR 13 HH TYR 13 -3.540 -4.479 1.504 114 H ARG 14 HN ARG 14 0.447 2.142 3.808 115 HA ARG 14 HA ARG 14 1.196 1.895 1.002 116 HB2 ARG 14 2HB ARG 14 1.927 3.935 2.189 117 HB3 ARG 14 1HB ARG 14 2.777 2.937 3.354 118 HG2 ARG 14 2HG ARG 14 4.196 2.081 1.567 119 HG3 ARG 14 1HG ARG 14 3.369 3.131 0.411 120 HD2 ARG 14 2HD ARG 14 5.448 4.149 1.122 121 HD3 ARG 14 1HD ARG 14 4.085 5.090 1.729 122 HE ARG 14 HE ARG 14 4.625 3.402 3.756 123 HH11 ARG 14 1HH1 ARG 14 6.656 5.626 1.948 124 HH12 ARG 14 2HH1 ARG 14 7.723 5.955 3.237 125 HH21 ARG 14 1HH2 ARG 14 6.035 3.833 5.524 126 HH22 ARG 14 2HH2 ARG 14 7.347 4.897 5.335 127 H LYS 15 HN LYS 15 2.198 0.109 0.402 128 HA LYS 15 HA LYS 15 3.113 -1.741 2.481 129 HB2 LYS 15 2HB LYS 15 0.955 -2.218 1.115 130 HB3 LYS 15 1HB LYS 15 2.040 -2.488 -0.234 131 HG2 LYS 15 2HG LYS 15 3.063 -4.344 0.911 132 HG3 LYS 15 1HG LYS 15 2.099 -4.015 2.360 133 HD2 LYS 15 2HD LYS 15 0.043 -4.347 1.009 134 HD3 LYS 15 1HD LYS 15 1.055 -4.814 -0.350 135 HE2 LYS 15 2HE LYS 15 0.965 -6.224 2.316 136 HE3 LYS 15 1HE LYS 15 0.094 -6.730 0.876 137 HZ1 LYS 15 1HZ LYS 15 2.251 -7.042 -0.238 138 HZ2 LYS 15 2HZ LYS 15 2.091 -7.987 1.134 139 HZ3 LYS 15 3HZ LYS 15 3.042 -6.616 1.193 140 H CYS 16 HN CYS 16 5.172 -2.587 2.080 141 HA CYS 16 HA CYS 16 6.522 -1.319 -0.179 142 HB2 CYS 16 2HB CYS 16 7.628 -1.908 2.559 143 HB3 CYS 16 1HB CYS 16 8.531 -1.218 1.215 144 H ARG 17 HN ARG 17 7.887 -2.405 -1.403 145 HA ARG 17 HA ARG 17 8.862 -5.005 -0.799 146 HB2 ARG 17 2HB ARG 17 6.541 -5.564 -1.453 147 HB3 ARG 17 1HB ARG 17 6.784 -4.716 -2.970 148 HG2 ARG 17 2HG ARG 17 8.429 -6.341 -3.661 149 HG3 ARG 17 1HG ARG 17 8.302 -7.161 -2.102 150 HD2 ARG 17 2HD ARG 17 5.981 -7.677 -2.530 151 HD3 ARG 17 1HD ARG 17 6.038 -6.785 -4.042 152 HE ARG 17 HE ARG 17 7.871 -8.521 -4.573 153 HH11 ARG 17 1HH1 ARG 17 4.992 -9.240 -2.649 154 HH12 ARG 17 2HH1 ARG 17 4.751 -10.779 -3.332 155 HH21 ARG 17 1HH2 ARG 17 7.527 -10.618 -5.511 156 HH22 ARG 17 2HH2 ARG 17 6.172 -11.555 -5.007 157 HN1 NH2 18 1H ARG 17 10.802 -4.100 -1.238 158 HN2 NH2 18 2H ARG 17 11.306 -3.580 -2.805 Start of MODEL 9 1 H1 ARG 1 1HT ARG 1 12.606 4.292 -2.031 2 H2 ARG 1 2HT ARG 1 13.552 3.949 -0.685 3 H3 ARG 1 3HT ARG 1 11.855 3.990 -0.562 4 HA ARG 1 HA ARG 1 13.379 2.134 -2.264 5 HB2 ARG 1 2HB ARG 1 12.723 0.357 -0.706 6 HB3 ARG 1 1HB ARG 1 13.675 1.573 0.123 7 HG2 ARG 1 2HG ARG 1 11.691 2.479 1.142 8 HG3 ARG 1 1HG ARG 1 10.673 1.352 0.231 9 HD2 ARG 1 2HD ARG 1 11.828 -0.515 1.319 10 HD3 ARG 1 1HD ARG 1 12.786 0.637 2.251 11 HE ARG 1 HE ARG 1 10.146 1.259 2.712 12 HH11 ARG 1 1HH1 ARG 1 12.314 -1.453 3.308 13 HH12 ARG 1 2HH1 ARG 1 11.441 -2.059 4.646 14 HH21 ARG 1 1HH2 ARG 1 8.950 0.467 4.505 15 HH22 ARG 1 2HH2 ARG 1 9.458 -0.924 5.351 16 H TRP 2 HN TRP 2 11.784 0.178 -2.642 17 HA TRP 2 HA TRP 2 9.726 1.292 -4.248 18 HB2 TRP 2 2HB TRP 2 11.143 -0.657 -4.881 19 HB3 TRP 2 1HB TRP 2 10.344 -1.599 -3.633 20 HD1 TRP 2 1HD TRP 2 9.454 0.290 -6.882 21 HE1 TRP 2 1HE TRP 2 7.507 -0.992 -8.029 22 HE3 TRP 2 3HE TRP 2 8.588 -3.257 -3.332 23 HZ2 TRP 2 2HZ TRP 2 5.865 -3.189 -7.493 24 HZ3 TRP 2 3HZ TRP 2 6.817 -4.916 -3.726 25 HH2 TRP 2 2HH TRP 2 5.483 -4.866 -5.774 26 H CYS 3 HN CYS 3 7.839 1.851 -3.535 27 HA CYS 3 HA CYS 3 6.316 0.202 -1.669 28 HB2 CYS 3 2HB CYS 3 6.829 3.157 -1.308 29 HB3 CYS 3 1HB CYS 3 5.600 2.248 -0.450 30 H PHE 4 HN PHE 4 4.168 0.294 -2.007 31 HA PHE 4 HA PHE 4 3.176 2.320 -3.804 32 HB2 PHE 4 2HB PHE 4 1.956 0.677 -5.184 33 HB3 PHE 4 1HB PHE 4 3.697 0.412 -5.200 34 HD1 PHE 4 1HD PHE 4 0.480 -0.933 -4.153 35 HD2 PHE 4 2HD PHE 4 4.675 -1.585 -4.260 36 HE1 PHE 4 1HE PHE 4 0.111 -3.289 -3.628 37 HE2 PHE 4 2HE PHE 4 4.325 -3.953 -3.735 38 HZ PHE 4 HZ PHE 4 2.051 -4.825 -3.425 39 H ARG 5 HN ARG 5 1.152 2.980 -3.360 40 HA ARG 5 HA ARG 5 0.111 2.085 -0.776 41 HB2 ARG 5 2HB ARG 5 0.681 4.517 -1.310 42 HB3 ARG 5 1HB ARG 5 -0.696 4.496 -2.393 43 HG2 ARG 5 2HG ARG 5 -2.174 4.033 -0.499 44 HG3 ARG 5 1HG ARG 5 -0.780 4.088 0.588 45 HD2 ARG 5 2HD ARG 5 -0.312 6.391 -0.243 46 HD3 ARG 5 1HD ARG 5 -1.818 6.329 -1.145 47 HE ARG 5 HE ARG 5 -1.719 6.038 1.764 48 HH11 ARG 5 1HH1 ARG 5 -3.266 7.470 -1.129 49 HH12 ARG 5 2HH1 ARG 5 -4.176 8.586 -0.256 50 HH21 ARG 5 1HH2 ARG 5 -3.042 7.656 2.961 51 HH22 ARG 5 2HH2 ARG 5 -4.065 8.684 2.064 52 H VAL 6 HN VAL 6 -1.749 1.022 -0.652 53 HA VAL 6 HA VAL 6 -3.445 0.871 -3.046 54 HB VAL 6 HB VAL 6 -2.871 -1.391 -1.070 55 HG11 VAL 6 1HG1 VAL 6 -5.198 -1.452 -1.833 56 HG12 VAL 6 2HG1 VAL 6 -4.272 -2.789 -2.522 57 HG13 VAL 6 3HG1 VAL 6 -4.656 -1.380 -3.510 58 HG21 VAL 6 1HG2 VAL 6 -1.914 -2.546 -2.992 59 HG22 VAL 6 2HG2 VAL 6 -1.054 -1.048 -2.624 60 HG23 VAL 6 3HG2 VAL 6 -2.175 -1.112 -3.984 61 H CYS 7 HN CYS 7 -5.583 1.203 -2.692 62 HA CYS 7 HA CYS 7 -6.312 1.725 0.079 63 HB2 CYS 7 2HB CYS 7 -7.455 2.893 -2.459 64 HB3 CYS 7 1HB CYS 7 -8.043 3.207 -0.828 65 H TYR 8 HN TYR 8 -7.766 0.582 0.978 66 HA TYR 8 HA TYR 8 -9.471 -1.151 -0.654 67 HB2 TYR 8 2HB TYR 8 -7.851 -2.438 0.672 68 HB3 TYR 8 1HB TYR 8 -8.354 -1.573 2.120 69 HD1 TYR 8 1HD TYR 8 -9.891 -2.551 3.526 70 HD2 TYR 8 2HD TYR 8 -9.788 -3.805 -0.539 71 HE1 TYR 8 1HE TYR 8 -11.523 -4.295 4.032 72 HE2 TYR 8 2HE TYR 8 -11.426 -5.554 -0.044 73 HH TYR 8 HH TYR 8 -13.205 -5.618 2.820 74 H ARG 9 HN ARG 9 -11.059 0.349 -0.822 75 HA ARG 9 HA ARG 9 -13.003 1.404 -0.354 76 HB2 ARG 9 2HB ARG 9 -13.157 -0.468 2.016 77 HB3 ARG 9 1HB ARG 9 -14.507 0.309 1.204 78 HG2 ARG 9 2HG ARG 9 -12.736 -1.885 0.144 79 HG3 ARG 9 1HG ARG 9 -14.447 -1.994 0.519 80 HD2 ARG 9 2HD ARG 9 -13.190 -0.348 -1.688 81 HD3 ARG 9 1HD ARG 9 -14.052 -1.864 -1.897 82 HE ARG 9 HE ARG 9 -15.881 -0.296 -0.714 83 HH11 ARG 9 1HH1 ARG 9 -13.830 0.187 -3.572 84 HH12 ARG 9 2HH1 ARG 9 -14.956 1.168 -4.386 85 HH21 ARG 9 1HH2 ARG 9 -17.425 1.004 -1.850 86 HH22 ARG 9 2HH2 ARG 9 -17.066 1.648 -3.388 87 H GLY 10 HN GLY 10 -10.841 2.788 0.533 88 HA2 GLY 10 2HA GLY 10 -11.026 4.910 1.660 89 HA3 GLY 10 1HA GLY 10 -11.919 4.096 2.936 90 H ILE 11 HN ILE 11 -10.058 1.816 2.986 91 HA ILE 11 HA ILE 11 -8.144 3.028 4.766 92 HB ILE 11 HB ILE 11 -8.579 0.096 4.068 93 HG12 ILE 11 2HG1 ILE 11 -9.437 -0.050 6.473 94 HG13 ILE 11 1HG1 ILE 11 -9.511 1.703 6.466 95 HG21 ILE 11 1HG2 ILE 11 -7.187 -0.436 6.017 96 HG22 ILE 11 2HG2 ILE 11 -6.849 1.282 6.227 97 HG23 ILE 11 3HG2 ILE 11 -6.305 0.449 4.770 98 HD11 ILE 11 1HD1 ILE 11 -11.044 -0.150 4.649 99 HD12 ILE 11 2HD1 ILE 11 -11.159 1.609 4.662 100 HD13 ILE 11 3HD1 ILE 11 -11.688 0.682 6.066 101 H CYS 12 HN CYS 12 -6.461 3.930 3.758 102 HA CYS 12 HA CYS 12 -5.280 2.473 1.516 103 HB2 CYS 12 2HB CYS 12 -4.818 5.348 2.351 104 HB3 CYS 12 1HB CYS 12 -4.116 4.552 0.954 105 H TYR 13 HN TYR 13 -3.549 1.412 1.806 106 HA TYR 13 HA TYR 13 -1.813 2.078 4.056 107 HB2 TYR 13 2HB TYR 13 -1.400 -0.413 4.275 108 HB3 TYR 13 1HB TYR 13 -3.002 0.118 4.770 109 HD1 TYR 13 1HD TYR 13 -1.096 -1.828 2.322 110 HD2 TYR 13 2HD TYR 13 -4.964 -0.463 3.437 111 HE1 TYR 13 1HE TYR 13 -2.097 -3.450 0.807 112 HE2 TYR 13 2HE TYR 13 -5.988 -2.076 1.926 113 HH TYR 13 HH TYR 13 -4.279 -4.638 0.521 114 H ARG 14 HN ARG 14 0.401 1.112 3.710 115 HA ARG 14 HA ARG 14 1.044 1.365 0.864 116 HB2 ARG 14 2HB ARG 14 1.689 3.346 2.139 117 HB3 ARG 14 1HB ARG 14 2.612 2.343 3.244 118 HG2 ARG 14 2HG ARG 14 4.045 1.662 1.333 119 HG3 ARG 14 1HG ARG 14 3.173 2.825 0.328 120 HD2 ARG 14 2HD ARG 14 5.243 3.791 1.168 121 HD3 ARG 14 1HD ARG 14 3.842 4.626 1.844 122 HE ARG 14 HE ARG 14 4.546 2.600 3.603 123 HH11 ARG 14 1HH1 ARG 14 6.018 5.577 2.377 124 HH12 ARG 14 2HH1 ARG 14 6.890 5.904 3.802 125 HH21 ARG 14 1HH2 ARG 14 5.695 3.028 5.550 126 HH22 ARG 14 2HH2 ARG 14 6.706 4.372 5.685 127 H LYS 15 HN LYS 15 1.924 -0.364 0.061 128 HA LYS 15 HA LYS 15 3.103 -2.339 1.847 129 HB2 LYS 15 2HB LYS 15 2.280 -2.519 -1.055 130 HB3 LYS 15 1HB LYS 15 2.943 -3.837 -0.096 131 HG2 LYS 15 2HG LYS 15 1.004 -3.771 1.376 132 HG3 LYS 15 1HG LYS 15 0.350 -2.408 0.470 133 HD2 LYS 15 2HD LYS 15 -0.736 -4.490 -0.210 134 HD3 LYS 15 1HD LYS 15 0.211 -3.818 -1.534 135 HE2 LYS 15 2HE LYS 15 0.504 -6.205 -1.402 136 HE3 LYS 15 1HE LYS 15 2.016 -5.399 -1.026 137 HZ1 LYS 15 1HZ LYS 15 0.122 -6.552 0.955 138 HZ2 LYS 15 2HZ LYS 15 1.554 -5.769 1.346 139 HZ3 LYS 15 3HZ LYS 15 1.597 -7.212 0.491 140 H CYS 16 HN CYS 16 5.266 -2.719 1.757 141 HA CYS 16 HA CYS 16 6.799 -1.346 -0.337 142 HB2 CYS 16 2HB CYS 16 7.354 -1.341 2.621 143 HB3 CYS 16 1HB CYS 16 8.477 -0.777 1.397 144 H ARG 17 HN ARG 17 9.018 -2.077 -0.436 145 HA ARG 17 HA ARG 17 9.485 -4.745 0.637 146 HB2 ARG 17 2HB ARG 17 8.909 -4.941 -1.767 147 HB3 ARG 17 1HB ARG 17 10.176 -3.787 -2.139 148 HG2 ARG 17 2HG ARG 17 11.880 -5.291 -1.542 149 HG3 ARG 17 1HG ARG 17 10.737 -6.399 -0.779 150 HD2 ARG 17 2HD ARG 17 10.727 -5.704 -3.706 151 HD3 ARG 17 1HD ARG 17 11.521 -7.126 -3.028 152 HE ARG 17 HE ARG 17 9.117 -7.490 -2.070 153 HH11 ARG 17 1HH1 ARG 17 9.825 -6.252 -5.302 154 HH12 ARG 17 2HH1 ARG 17 8.561 -7.106 -6.056 155 HH21 ARG 17 1HH2 ARG 17 7.373 -8.691 -3.145 156 HH22 ARG 17 2HH2 ARG 17 7.167 -8.507 -4.822 157 HN1 NH2 18 1H ARG 17 11.007 -4.436 2.054 158 HN2 NH2 18 2H ARG 17 12.356 -3.369 1.903 Start of MODEL 10 1 H1 ARG 1 1HT ARG 1 13.332 0.892 0.657 2 H2 ARG 1 2HT ARG 1 12.767 0.189 -0.760 3 H3 ARG 1 3HT ARG 1 11.703 0.525 0.505 4 HA ARG 1 HA ARG 1 12.038 2.841 0.320 5 HB2 ARG 1 2HB ARG 1 14.352 2.758 -0.538 6 HB3 ARG 1 1HB ARG 1 13.752 2.143 -2.070 7 HG2 ARG 1 2HG ARG 1 12.558 4.211 -2.467 8 HG3 ARG 1 1HG ARG 1 13.075 4.829 -0.901 9 HD2 ARG 1 2HD ARG 1 15.400 4.712 -1.622 10 HD3 ARG 1 1HD ARG 1 14.887 4.092 -3.194 11 HE ARG 1 HE ARG 1 13.522 6.445 -2.734 12 HH11 ARG 1 1HH1 ARG 1 16.924 5.539 -3.121 13 HH12 ARG 1 2HH1 ARG 1 17.345 6.976 -3.934 14 HH21 ARG 1 1HH2 ARG 1 14.137 8.431 -3.792 15 HH22 ARG 1 2HH2 ARG 1 15.745 8.655 -4.305 16 H TRP 2 HN TRP 2 11.649 0.518 -2.377 17 HA TRP 2 HA TRP 2 9.801 2.181 -3.750 18 HB2 TRP 2 2HB TRP 2 11.226 0.489 -4.901 19 HB3 TRP 2 1HB TRP 2 10.322 -0.780 -4.087 20 HD1 TRP 2 1HD TRP 2 9.805 1.996 -6.723 21 HE1 TRP 2 1HE TRP 2 7.850 1.311 -8.247 22 HE3 TRP 2 3HE TRP 2 8.316 -2.225 -4.273 23 HZ2 TRP 2 2HZ TRP 2 5.911 -0.752 -8.374 24 HZ3 TRP 2 3HZ TRP 2 6.401 -3.497 -5.171 25 HH2 TRP 2 2HH TRP 2 5.235 -2.762 -7.178 26 H CYS 3 HN CYS 3 7.775 2.478 -3.274 27 HA CYS 3 HA CYS 3 6.290 0.447 -1.794 28 HB2 CYS 3 2HB CYS 3 6.416 3.384 -1.116 29 HB3 CYS 3 1HB CYS 3 5.404 2.175 -0.340 30 H PHE 4 HN PHE 4 4.099 0.555 -2.101 31 HA PHE 4 HA PHE 4 3.136 2.492 -4.020 32 HB2 PHE 4 2HB PHE 4 1.885 0.674 -5.201 33 HB3 PHE 4 1HB PHE 4 3.636 0.522 -5.291 34 HD1 PHE 4 1HD PHE 4 4.805 -1.291 -4.256 35 HD2 PHE 4 2HD PHE 4 0.589 -0.944 -3.921 36 HE1 PHE 4 1HE PHE 4 4.683 -3.618 -3.482 37 HE2 PHE 4 2HE PHE 4 0.453 -3.256 -3.142 38 HZ PHE 4 HZ PHE 4 2.509 -4.609 -2.926 39 H ARG 5 HN ARG 5 0.836 2.824 -3.869 40 HA ARG 5 HA ARG 5 -0.033 2.494 -1.090 41 HB2 ARG 5 2HB ARG 5 0.129 4.756 -2.233 42 HB3 ARG 5 1HB ARG 5 -1.225 4.236 -3.225 43 HG2 ARG 5 2HG ARG 5 -2.579 3.969 -1.214 44 HG3 ARG 5 1HG ARG 5 -1.230 4.581 -0.253 45 HD2 ARG 5 2HD ARG 5 -1.276 6.608 -1.821 46 HD3 ARG 5 1HD ARG 5 -2.855 6.015 -2.331 47 HE ARG 5 HE ARG 5 -2.327 6.455 0.493 48 HH11 ARG 5 1HH1 ARG 5 -4.153 7.357 -2.408 49 HH12 ARG 5 2HH1 ARG 5 -5.125 8.482 -1.616 50 HH21 ARG 5 1HH2 ARG 5 -3.696 8.001 1.582 51 HH22 ARG 5 2HH2 ARG 5 -4.888 8.848 0.714 52 H VAL 6 HN VAL 6 -1.565 1.021 -0.692 53 HA VAL 6 HA VAL 6 -3.393 0.357 -2.881 54 HB VAL 6 HB VAL 6 -2.574 -1.459 -0.570 55 HG11 VAL 6 1HG1 VAL 6 -4.910 -1.808 -1.234 56 HG12 VAL 6 2HG1 VAL 6 -3.907 -3.180 -1.704 57 HG13 VAL 6 3HG1 VAL 6 -4.407 -1.998 -2.915 58 HG21 VAL 6 1HG2 VAL 6 -1.577 -2.859 -2.298 59 HG22 VAL 6 2HG2 VAL 6 -0.829 -1.262 -2.234 60 HG23 VAL 6 3HG2 VAL 6 -1.982 -1.648 -3.513 61 H CYS 7 HN CYS 7 -5.428 0.857 -2.553 62 HA CYS 7 HA CYS 7 -6.239 1.580 0.154 63 HB2 CYS 7 2HB CYS 7 -7.356 2.473 -2.517 64 HB3 CYS 7 1HB CYS 7 -7.987 2.936 -0.940 65 H TYR 8 HN TYR 8 -7.697 0.466 1.090 66 HA TYR 8 HA TYR 8 -9.323 -1.417 -0.456 67 HB2 TYR 8 2HB TYR 8 -7.551 -2.575 0.801 68 HB3 TYR 8 1HB TYR 8 -8.070 -1.730 2.258 69 HD1 TYR 8 1HD TYR 8 -9.512 -3.970 -0.370 70 HD2 TYR 8 2HD TYR 8 -9.411 -2.846 3.720 71 HE1 TYR 8 1HE TYR 8 -11.044 -5.798 0.158 72 HE2 TYR 8 2HE TYR 8 -10.937 -4.652 4.272 73 HH TYR 8 HH TYR 8 -11.664 -7.166 2.107 74 H ARG 9 HN ARG 9 -11.211 -0.338 -0.456 75 HA ARG 9 HA ARG 9 -13.205 0.531 0.262 76 HB2 ARG 9 2HB ARG 9 -12.383 -0.696 2.907 77 HB3 ARG 9 1HB ARG 9 -13.975 -0.044 2.565 78 HG2 ARG 9 2HG ARG 9 -12.693 -2.395 1.178 79 HG3 ARG 9 1HG ARG 9 -13.942 -2.484 2.421 80 HD2 ARG 9 2HD ARG 9 -15.416 -1.135 0.911 81 HD3 ARG 9 1HD ARG 9 -14.171 -1.287 -0.329 82 HE ARG 9 HE ARG 9 -14.843 -3.816 0.653 83 HH11 ARG 9 1HH1 ARG 9 -16.080 -1.266 -1.466 84 HH12 ARG 9 2HH1 ARG 9 -17.159 -2.295 -2.296 85 HH21 ARG 9 1HH2 ARG 9 -16.354 -5.226 -0.528 86 HH22 ARG 9 2HH2 ARG 9 -17.321 -4.554 -1.751 87 H GLY 10 HN GLY 10 -10.660 2.032 0.560 88 HA2 GLY 10 2HA GLY 10 -10.697 4.415 0.968 89 HA3 GLY 10 1HA GLY 10 -11.646 4.097 2.414 90 H ILE 11 HN ILE 11 -9.876 1.725 2.984 91 HA ILE 11 HA ILE 11 -7.968 3.130 4.584 92 HB ILE 11 HB ILE 11 -8.325 0.139 4.140 93 HG12 ILE 11 2HG1 ILE 11 -9.096 0.218 6.604 94 HG13 ILE 11 1HG1 ILE 11 -9.277 1.950 6.370 95 HG21 ILE 11 1HG2 ILE 11 -6.045 0.585 4.757 96 HG22 ILE 11 2HG2 ILE 11 -6.886 -0.215 6.085 97 HG23 ILE 11 3HG2 ILE 11 -6.580 1.523 6.150 98 HD11 ILE 11 1HD1 ILE 11 -10.696 -0.210 4.835 99 HD12 ILE 11 2HD1 ILE 11 -10.932 1.527 4.625 100 HD13 ILE 11 3HD1 ILE 11 -11.392 0.747 6.145 101 H CYS 12 HN CYS 12 -6.376 4.040 3.470 102 HA CYS 12 HA CYS 12 -5.041 2.460 1.407 103 HB2 CYS 12 2HB CYS 12 -4.727 5.393 2.035 104 HB3 CYS 12 1HB CYS 12 -4.024 4.534 0.667 105 H TYR 13 HN TYR 13 -3.254 1.515 1.804 106 HA TYR 13 HA TYR 13 -1.570 2.528 3.955 107 HB2 TYR 13 2HB TYR 13 -0.904 0.128 4.375 108 HB3 TYR 13 1HB TYR 13 -2.547 0.543 4.837 109 HD1 TYR 13 1HD TYR 13 -4.449 -0.360 3.596 110 HD2 TYR 13 2HD TYR 13 -0.465 -1.436 2.562 111 HE1 TYR 13 1HE TYR 13 -5.314 -2.239 2.315 112 HE2 TYR 13 2HE TYR 13 -1.311 -3.340 1.266 113 HH TYR 13 HH TYR 13 -3.288 -4.742 1.151 114 H ARG 14 HN ARG 14 0.672 2.125 3.720 115 HA ARG 14 HA ARG 14 1.436 2.196 0.915 116 HB2 ARG 14 2HB ARG 14 2.129 4.078 2.379 117 HB3 ARG 14 1HB ARG 14 2.997 2.951 3.404 118 HG2 ARG 14 2HG ARG 14 4.439 2.382 1.491 119 HG3 ARG 14 1HG ARG 14 3.614 3.617 0.533 120 HD2 ARG 14 2HD ARG 14 5.683 4.529 1.409 121 HD3 ARG 14 1HD ARG 14 4.322 5.309 2.214 122 HE ARG 14 HE ARG 14 4.898 3.291 3.879 123 HH11 ARG 14 1HH1 ARG 14 6.966 5.773 2.452 124 HH12 ARG 14 2HH1 ARG 14 8.042 5.827 3.761 125 HH21 ARG 14 1HH2 ARG 14 6.371 3.346 5.651 126 HH22 ARG 14 2HH2 ARG 14 7.694 4.425 5.644 127 H LYS 15 HN LYS 15 1.844 0.223 0.169 128 HA LYS 15 HA LYS 15 3.072 -1.697 1.961 129 HB2 LYS 15 2HB LYS 15 0.974 -2.300 0.711 130 HB3 LYS 15 1HB LYS 15 1.890 -2.167 -0.781 131 HG2 LYS 15 2HG LYS 15 3.345 -3.973 -0.088 132 HG3 LYS 15 1HG LYS 15 2.504 -4.064 1.463 133 HD2 LYS 15 2HD LYS 15 0.441 -4.671 0.318 134 HD3 LYS 15 1HD LYS 15 1.262 -4.578 -1.238 135 HE2 LYS 15 2HE LYS 15 1.097 -6.884 -0.502 136 HE3 LYS 15 1HE LYS 15 2.782 -6.372 -0.521 137 HZ1 LYS 15 1HZ LYS 15 1.071 -6.430 1.893 138 HZ2 LYS 15 2HZ LYS 15 2.740 -6.157 1.877 139 HZ3 LYS 15 3HZ LYS 15 2.112 -7.655 1.464 140 H CYS 16 HN CYS 16 5.164 -2.131 1.763 141 HA CYS 16 HA CYS 16 6.566 -1.141 -0.621 142 HB2 CYS 16 2HB CYS 16 7.609 -1.409 2.205 143 HB3 CYS 16 1HB CYS 16 8.450 -0.694 0.834 144 H ARG 17 HN ARG 17 8.553 -2.357 -1.121 145 HA ARG 17 HA ARG 17 8.282 -5.164 -0.325 146 HB2 ARG 17 2HB ARG 17 9.359 -4.004 -2.889 147 HB3 ARG 17 1HB ARG 17 9.640 -5.669 -2.415 148 HG2 ARG 17 2HG ARG 17 7.176 -6.008 -2.362 149 HG3 ARG 17 1HG ARG 17 6.985 -4.368 -2.991 150 HD2 ARG 17 2HD ARG 17 8.238 -4.933 -4.974 151 HD3 ARG 17 1HD ARG 17 8.593 -6.529 -4.324 152 HE ARG 17 HE ARG 17 5.823 -6.211 -4.448 153 HH11 ARG 17 1HH1 ARG 17 8.595 -6.554 -6.624 154 HH12 ARG 17 2HH1 ARG 17 7.733 -7.316 -7.866 155 HH21 ARG 17 1HH2 ARG 17 4.608 -7.288 -6.159 156 HH22 ARG 17 2HH2 ARG 17 5.391 -7.762 -7.585 157 HN1 NH2 18 1H ARG 17 9.486 -5.076 1.441 158 HN2 NH2 18 2H ARG 17 11.181 -4.756 1.486 Start of MODEL 11 1 H1 ARG 1 1HT ARG 1 14.426 2.641 -2.483 2 H2 ARG 1 2HT ARG 1 13.007 3.447 -2.931 3 H3 ARG 1 3HT ARG 1 13.562 2.162 -3.851 4 HA ARG 1 HA ARG 1 13.147 0.645 -2.054 5 HB2 ARG 1 2HB ARG 1 13.482 2.292 -0.233 6 HB3 ARG 1 1HB ARG 1 12.002 3.107 -0.711 7 HG2 ARG 1 2HG ARG 1 11.296 1.881 1.095 8 HG3 ARG 1 1HG ARG 1 10.900 0.799 -0.231 9 HD2 ARG 1 2HD ARG 1 13.405 0.624 1.447 10 HD3 ARG 1 1HD ARG 1 11.949 -0.303 1.745 11 HE ARG 1 HE ARG 1 13.030 -0.722 -0.900 12 HH11 ARG 1 1HH1 ARG 1 13.225 -1.749 2.479 13 HH12 ARG 1 2HH1 ARG 1 13.956 -3.248 2.099 14 HH21 ARG 1 1HH2 ARG 1 14.013 -2.729 -1.382 15 HH22 ARG 1 2HH2 ARG 1 14.416 -3.826 -0.146 16 H TRP 2 HN TRP 2 11.438 -0.480 -2.903 17 HA TRP 2 HA TRP 2 9.435 0.958 -4.370 18 HB2 TRP 2 2HB TRP 2 10.407 -1.151 -5.227 19 HB3 TRP 2 1HB TRP 2 9.680 -2.006 -3.866 20 HD1 TRP 2 1HD TRP 2 7.300 -2.768 -4.139 21 HE1 TRP 2 1HE TRP 2 5.423 -2.456 -5.942 22 HE3 TRP 2 3HE TRP 2 9.534 0.767 -7.008 23 HZ2 TRP 2 2HZ TRP 2 5.002 -0.886 -8.239 24 HZ3 TRP 2 3HZ TRP 2 8.343 1.639 -8.977 25 HH2 TRP 2 2HH TRP 2 6.122 0.818 -9.569 26 H CYS 3 HN CYS 3 7.913 1.903 -3.399 27 HA CYS 3 HA CYS 3 6.340 0.467 -1.394 28 HB2 CYS 3 2HB CYS 3 7.169 3.377 -1.274 29 HB3 CYS 3 1HB CYS 3 6.000 2.614 -0.207 30 H PHE 4 HN PHE 4 4.232 0.646 -1.655 31 HA PHE 4 HA PHE 4 3.231 2.614 -3.507 32 HB2 PHE 4 2HB PHE 4 1.906 0.861 -4.714 33 HB3 PHE 4 1HB PHE 4 3.652 0.696 -4.872 34 HD1 PHE 4 1HD PHE 4 4.826 -1.182 -3.974 35 HD2 PHE 4 2HD PHE 4 0.637 -0.782 -3.440 36 HE1 PHE 4 1HE PHE 4 4.701 -3.535 -3.281 37 HE2 PHE 4 2HE PHE 4 0.491 -3.117 -2.733 38 HZ PHE 4 HZ PHE 4 2.533 -4.514 -2.658 39 H ARG 5 HN ARG 5 1.011 3.095 -3.161 40 HA ARG 5 HA ARG 5 0.181 2.359 -0.450 41 HB2 ARG 5 2HB ARG 5 0.638 4.784 -1.067 42 HB3 ARG 5 1HB ARG 5 -0.773 4.681 -2.107 43 HG2 ARG 5 2HG ARG 5 -2.176 4.209 -0.173 44 HG3 ARG 5 1HG ARG 5 -0.757 4.303 0.876 45 HD2 ARG 5 2HD ARG 5 -0.386 6.619 0.074 46 HD3 ARG 5 1HD ARG 5 -1.896 6.514 -0.826 47 HE ARG 5 HE ARG 5 -1.725 6.236 2.091 48 HH11 ARG 5 1HH1 ARG 5 -3.328 7.543 -0.761 49 HH12 ARG 5 2HH1 ARG 5 -4.479 8.441 0.098 50 HH21 ARG 5 1HH2 ARG 5 -3.255 7.539 3.298 51 HH22 ARG 5 2HH2 ARG 5 -4.466 8.426 2.470 52 H VAL 6 HN VAL 6 -1.431 1.013 -0.289 53 HA VAL 6 HA VAL 6 -3.134 0.520 -2.617 54 HB VAL 6 HB VAL 6 -2.539 -1.237 -0.204 55 HG11 VAL 6 1HG1 VAL 6 -3.889 -2.951 -1.277 56 HG12 VAL 6 2HG1 VAL 6 -4.273 -1.854 -2.601 57 HG13 VAL 6 3HG1 VAL 6 -4.873 -1.518 -0.977 58 HG21 VAL 6 1HG2 VAL 6 -1.526 -2.718 -1.840 59 HG22 VAL 6 2HG2 VAL 6 -0.738 -1.140 -1.795 60 HG23 VAL 6 3HG2 VAL 6 -1.849 -1.537 -3.109 61 H CYS 7 HN CYS 7 -5.186 1.129 -2.501 62 HA CYS 7 HA CYS 7 -6.286 1.665 0.150 63 HB2 CYS 7 2HB CYS 7 -7.039 2.822 -2.536 64 HB3 CYS 7 1HB CYS 7 -7.906 3.125 -1.034 65 H TYR 8 HN TYR 8 -7.822 0.446 0.814 66 HA TYR 8 HA TYR 8 -9.285 -1.215 -1.100 67 HB2 TYR 8 2HB TYR 8 -7.727 -2.556 0.204 68 HB3 TYR 8 1HB TYR 8 -8.354 -1.855 1.691 69 HD1 TYR 8 1HD TYR 8 -9.819 -3.132 2.905 70 HD2 TYR 8 2HD TYR 8 -9.642 -3.739 -1.297 71 HE1 TYR 8 1HE TYR 8 -11.408 -4.965 3.119 72 HE2 TYR 8 2HE TYR 8 -11.228 -5.588 -1.110 73 HH TYR 8 HH TYR 8 -12.100 -7.134 0.505 74 H ARG 9 HN ARG 9 -11.003 0.048 -1.280 75 HA ARG 9 HA ARG 9 -13.027 0.975 -0.870 76 HB2 ARG 9 2HB ARG 9 -13.019 -0.796 1.577 77 HB3 ARG 9 1HB ARG 9 -14.433 -0.064 0.830 78 HG2 ARG 9 2HG ARG 9 -13.929 -1.394 -1.239 79 HG3 ARG 9 1HG ARG 9 -12.655 -2.189 -0.331 80 HD2 ARG 9 2HD ARG 9 -15.589 -2.213 0.343 81 HD3 ARG 9 1HD ARG 9 -14.655 -3.551 -0.325 82 HE ARG 9 HE ARG 9 -13.753 -2.455 2.196 83 HH11 ARG 9 1HH1 ARG 9 -15.668 -5.002 0.600 84 HH12 ARG 9 2HH1 ARG 9 -15.593 -6.057 1.931 85 HH21 ARG 9 1HH2 ARG 9 -13.710 -3.915 4.028 86 HH22 ARG 9 2HH2 ARG 9 -14.517 -5.417 3.907 87 H GLY 10 HN GLY 10 -10.648 2.228 0.268 88 HA2 GLY 10 2HA GLY 10 -10.931 4.506 1.174 89 HA3 GLY 10 1HA GLY 10 -11.974 3.789 2.396 90 H ILE 11 HN ILE 11 -10.156 1.444 2.689 91 HA ILE 11 HA ILE 11 -8.417 2.648 4.638 92 HB ILE 11 HB ILE 11 -8.666 -0.281 3.812 93 HG12 ILE 11 2HG1 ILE 11 -9.719 -0.542 6.127 94 HG13 ILE 11 1HG1 ILE 11 -9.853 1.207 6.176 95 HG21 ILE 11 1HG2 ILE 11 -7.174 0.905 6.143 96 HG22 ILE 11 2HG2 ILE 11 -6.474 0.130 4.721 97 HG23 ILE 11 3HG2 ILE 11 -7.429 -0.819 5.862 98 HD11 ILE 11 1HD1 ILE 11 -11.167 -0.630 4.184 99 HD12 ILE 11 2HD1 ILE 11 -11.342 1.124 4.232 100 HD13 ILE 11 3HD1 ILE 11 -11.957 0.139 5.563 101 H CYS 12 HN CYS 12 -6.692 3.667 3.826 102 HA CYS 12 HA CYS 12 -5.220 2.342 1.672 103 HB2 CYS 12 2HB CYS 12 -5.013 5.213 2.595 104 HB3 CYS 12 1HB CYS 12 -4.168 4.477 1.237 105 H TYR 13 HN TYR 13 -3.316 1.511 2.025 106 HA TYR 13 HA TYR 13 -1.757 2.464 4.277 107 HB2 TYR 13 2HB TYR 13 -1.079 0.129 4.835 108 HB3 TYR 13 1HB TYR 13 -2.777 0.444 5.137 109 HD1 TYR 13 1HD TYR 13 -4.497 -0.646 3.775 110 HD2 TYR 13 2HD TYR 13 -0.366 -1.430 3.119 111 HE1 TYR 13 1HE TYR 13 -5.094 -2.630 2.482 112 HE2 TYR 13 2HE TYR 13 -0.945 -3.422 1.815 113 HH TYR 13 HH TYR 13 -2.770 -4.976 1.589 114 H ARG 14 HN ARG 14 0.439 2.320 4.016 115 HA ARG 14 HA ARG 14 1.272 2.202 1.238 116 HB2 ARG 14 2HB ARG 14 1.793 4.199 2.592 117 HB3 ARG 14 1HB ARG 14 2.678 3.191 3.720 118 HG2 ARG 14 2HG ARG 14 4.260 2.616 1.925 119 HG3 ARG 14 1HG ARG 14 3.387 3.708 0.843 120 HD2 ARG 14 2HD ARG 14 3.831 5.567 2.353 121 HD3 ARG 14 1HD ARG 14 4.680 4.484 3.444 122 HE ARG 14 HE ARG 14 5.573 4.889 0.693 123 HH11 ARG 14 1HH1 ARG 14 6.278 4.854 4.183 124 HH12 ARG 14 2HH1 ARG 14 7.888 5.346 4.015 125 HH21 ARG 14 1HH2 ARG 14 7.838 5.570 0.472 126 HH22 ARG 14 2HH2 ARG 14 8.785 5.781 1.864 127 H LYS 15 HN LYS 15 2.121 0.369 0.559 128 HA LYS 15 HA LYS 15 3.281 -1.438 2.538 129 HB2 LYS 15 2HB LYS 15 1.256 -2.199 1.260 130 HB3 LYS 15 1HB LYS 15 2.208 -2.085 -0.212 131 HG2 LYS 15 2HG LYS 15 3.722 -3.779 0.595 132 HG3 LYS 15 1HG LYS 15 2.861 -3.833 2.134 133 HD2 LYS 15 2HD LYS 15 0.813 -4.509 0.872 134 HD3 LYS 15 1HD LYS 15 1.814 -4.639 -0.575 135 HE2 LYS 15 2HE LYS 15 1.554 -6.823 0.452 136 HE3 LYS 15 1HE LYS 15 3.228 -6.292 0.580 137 HZ1 LYS 15 1HZ LYS 15 2.440 -7.248 2.666 138 HZ2 LYS 15 2HZ LYS 15 1.206 -6.106 2.758 139 HZ3 LYS 15 3HZ LYS 15 2.798 -5.619 2.875 140 H CYS 16 HN CYS 16 5.383 -1.898 2.333 141 HA CYS 16 HA CYS 16 6.756 -0.974 -0.086 142 HB2 CYS 16 2HB CYS 16 7.750 -1.019 2.763 143 HB3 CYS 16 1HB CYS 16 8.745 -0.641 1.363 144 H ARG 17 HN ARG 17 8.246 -2.282 -0.977 145 HA ARG 17 HA ARG 17 8.604 -4.919 0.259 146 HB2 ARG 17 2HB ARG 17 8.744 -4.236 -2.695 147 HB3 ARG 17 1HB ARG 17 9.011 -5.823 -2.004 148 HG2 ARG 17 2HG ARG 17 6.640 -5.767 -1.188 149 HG3 ARG 17 1HG ARG 17 6.430 -4.289 -2.130 150 HD2 ARG 17 2HD ARG 17 5.658 -6.112 -3.477 151 HD3 ARG 17 1HD ARG 17 7.197 -5.564 -4.141 152 HE ARG 17 HE ARG 17 7.380 -7.733 -2.251 153 HH11 ARG 17 1HH1 ARG 17 7.174 -6.918 -5.691 154 HH12 ARG 17 2HH1 ARG 17 7.721 -8.445 -6.213 155 HH21 ARG 17 1HH2 ARG 17 8.098 -9.818 -2.984 156 HH22 ARG 17 2HH2 ARG 17 8.259 -10.131 -4.643 157 HN1 NH2 18 1H ARG 17 10.431 -4.613 1.335 158 HN2 NH2 18 2H ARG 17 11.891 -3.962 0.674 Start of MODEL 12 1 H1 ARG 1 1HT ARG 1 13.466 -1.913 -3.040 2 H2 ARG 1 2HT ARG 1 12.506 -1.201 -4.235 3 H3 ARG 1 3HT ARG 1 11.805 -1.834 -2.831 4 HA ARG 1 HA ARG 1 12.903 -0.279 -1.444 5 HB2 ARG 1 2HB ARG 1 14.113 1.622 -2.388 6 HB3 ARG 1 1HB ARG 1 14.911 0.098 -2.733 7 HG2 ARG 1 2HG ARG 1 14.220 0.151 -5.007 8 HG3 ARG 1 1HG ARG 1 13.106 1.487 -4.707 9 HD2 ARG 1 2HD ARG 1 15.177 2.189 -5.830 10 HD3 ARG 1 1HD ARG 1 14.960 2.974 -4.270 11 HE ARG 1 HE ARG 1 16.767 0.713 -4.786 12 HH11 ARG 1 1HH1 ARG 1 15.932 3.648 -2.946 13 HH12 ARG 1 2HH1 ARG 1 17.409 3.708 -2.120 14 HH21 ARG 1 1HH2 ARG 1 18.837 0.852 -3.650 15 HH22 ARG 1 2HH2 ARG 1 19.097 2.116 -2.539 16 H TRP 2 HN TRP 2 10.651 -0.359 -3.952 17 HA TRP 2 HA TRP 2 9.919 2.372 -3.463 18 HB2 TRP 2 2HB TRP 2 9.035 0.468 -5.629 19 HB3 TRP 2 1HB TRP 2 8.338 2.075 -5.396 20 HD1 TRP 2 1HD TRP 2 10.285 4.132 -5.378 21 HE1 TRP 2 1HE TRP 2 12.290 4.423 -6.944 22 HE3 TRP 2 3HE TRP 2 10.632 -0.650 -7.147 23 HZ2 TRP 2 2HZ TRP 2 13.822 2.848 -8.711 24 HZ3 TRP 2 3HZ TRP 2 12.403 -1.162 -8.785 25 HH2 TRP 2 2HH TRP 2 13.956 0.550 -9.543 26 H CYS 3 HN CYS 3 8.152 3.035 -2.597 27 HA CYS 3 HA CYS 3 6.567 1.025 -1.177 28 HB2 CYS 3 2HB CYS 3 6.971 3.943 -0.569 29 HB3 CYS 3 1HB CYS 3 6.180 2.760 0.464 30 H PHE 4 HN PHE 4 4.501 0.875 -1.669 31 HA PHE 4 HA PHE 4 3.376 3.050 -3.209 32 HB2 PHE 4 2HB PHE 4 2.136 1.353 -4.541 33 HB3 PHE 4 1HB PHE 4 3.897 1.287 -4.679 34 HD1 PHE 4 1HD PHE 4 0.959 -0.430 -3.314 35 HD2 PHE 4 2HD PHE 4 5.138 -0.632 -4.055 36 HE1 PHE 4 1HE PHE 4 0.913 -2.813 -2.832 37 HE2 PHE 4 2HE PHE 4 5.115 -3.034 -3.575 38 HZ PHE 4 HZ PHE 4 3.005 -4.146 -2.966 39 H ARG 5 HN ARG 5 0.976 3.091 -3.094 40 HA ARG 5 HA ARG 5 0.194 2.305 -0.381 41 HB2 ARG 5 2HB ARG 5 0.539 4.790 -0.946 42 HB3 ARG 5 1HB ARG 5 -0.914 4.642 -1.920 43 HG2 ARG 5 2HG ARG 5 -2.182 4.011 0.067 44 HG3 ARG 5 1HG ARG 5 -0.720 4.154 1.044 45 HD2 ARG 5 2HD ARG 5 -0.550 6.538 0.257 46 HD3 ARG 5 1HD ARG 5 -2.149 6.337 -0.455 47 HE ARG 5 HE ARG 5 -1.660 5.924 2.413 48 HH11 ARG 5 1HH1 ARG 5 -3.431 7.603 -0.169 49 HH12 ARG 5 2HH1 ARG 5 -4.551 8.327 0.881 50 HH21 ARG 5 1HH2 ARG 5 -3.184 6.951 3.844 51 HH22 ARG 5 2HH2 ARG 5 -4.410 7.958 3.229 52 H VAL 6 HN VAL 6 -1.398 0.914 -0.324 53 HA VAL 6 HA VAL 6 -2.975 0.483 -2.771 54 HB VAL 6 HB VAL 6 -2.524 -1.455 -0.466 55 HG11 VAL 6 1HG1 VAL 6 -3.767 -1.889 -3.179 56 HG12 VAL 6 2HG1 VAL 6 -4.627 -1.836 -1.639 57 HG13 VAL 6 3HG1 VAL 6 -3.468 -3.128 -1.960 58 HG21 VAL 6 1HG2 VAL 6 -0.475 -1.072 -1.663 59 HG22 VAL 6 2HG2 VAL 6 -1.287 -1.398 -3.194 60 HG23 VAL 6 3HG2 VAL 6 -1.105 -2.683 -1.998 61 H CYS 7 HN CYS 7 -5.212 0.467 -2.634 62 HA CYS 7 HA CYS 7 -6.263 1.336 -0.054 63 HB2 CYS 7 2HB CYS 7 -7.100 2.207 -2.811 64 HB3 CYS 7 1HB CYS 7 -7.921 2.621 -1.307 65 H TYR 8 HN TYR 8 -7.859 0.294 0.762 66 HA TYR 8 HA TYR 8 -9.481 -1.488 -0.906 67 HB2 TYR 8 2HB TYR 8 -7.958 -2.878 0.356 68 HB3 TYR 8 1HB TYR 8 -8.316 -1.967 1.826 69 HD1 TYR 8 1HD TYR 8 -9.763 -2.928 3.334 70 HD2 TYR 8 2HD TYR 8 -10.155 -3.987 -0.768 71 HE1 TYR 8 1HE TYR 8 -11.547 -4.484 3.918 72 HE2 TYR 8 2HE TYR 8 -11.947 -5.553 -0.197 73 HH TYR 8 HH TYR 8 -12.702 -6.823 1.797 74 H ARG 9 HN ARG 9 -11.307 -0.288 -0.993 75 HA ARG 9 HA ARG 9 -13.253 0.713 -0.406 76 HB2 ARG 9 2HB ARG 9 -12.815 -0.731 2.207 77 HB3 ARG 9 1HB ARG 9 -14.313 0.044 1.730 78 HG2 ARG 9 2HG ARG 9 -14.377 -1.530 -0.236 79 HG3 ARG 9 1HG ARG 9 -13.003 -2.352 0.491 80 HD2 ARG 9 2HD ARG 9 -15.111 -3.437 1.103 81 HD3 ARG 9 1HD ARG 9 -14.262 -2.788 2.507 82 HE ARG 9 HE ARG 9 -16.074 -0.877 1.523 83 HH11 ARG 9 1HH1 ARG 9 -16.053 -3.909 3.339 84 HH12 ARG 9 2HH1 ARG 9 -17.526 -3.601 4.137 85 HH21 ARG 9 1HH2 ARG 9 -18.076 -0.439 2.634 86 HH22 ARG 9 2HH2 ARG 9 -18.714 -1.578 3.721 87 H GLY 10 HN GLY 10 -10.721 2.077 0.202 88 HA2 GLY 10 2HA GLY 10 -10.730 4.417 0.841 89 HA3 GLY 10 1HA GLY 10 -11.812 3.979 2.154 90 H ILE 11 HN ILE 11 -10.081 1.510 2.625 91 HA ILE 11 HA ILE 11 -8.270 2.789 4.444 92 HB ILE 11 HB ILE 11 -8.594 -0.161 3.745 93 HG12 ILE 11 2HG1 ILE 11 -9.467 -0.324 6.138 94 HG13 ILE 11 1HG1 ILE 11 -9.592 1.430 6.117 95 HG21 ILE 11 1HG2 ILE 11 -7.214 -0.669 5.706 96 HG22 ILE 11 2HG2 ILE 11 -6.917 1.056 5.933 97 HG23 ILE 11 3HG2 ILE 11 -6.338 0.243 4.479 98 HD11 ILE 11 1HD1 ILE 11 -11.024 -0.486 4.304 99 HD12 ILE 11 2HD1 ILE 11 -11.200 1.269 4.291 100 HD13 ILE 11 3HD1 ILE 11 -11.729 0.336 5.698 101 H CYS 12 HN CYS 12 -6.636 3.787 3.442 102 HA CYS 12 HA CYS 12 -5.241 2.277 1.393 103 HB2 CYS 12 2HB CYS 12 -5.144 5.233 2.031 104 HB3 CYS 12 1HB CYS 12 -4.233 4.437 0.756 105 H TYR 13 HN TYR 13 -3.360 1.444 1.862 106 HA TYR 13 HA TYR 13 -1.976 2.406 4.250 107 HB2 TYR 13 2HB TYR 13 -1.334 0.027 4.711 108 HB3 TYR 13 1HB TYR 13 -3.040 0.378 4.923 109 HD1 TYR 13 1HD TYR 13 -4.698 -0.671 3.516 110 HD2 TYR 13 2HD TYR 13 -0.559 -1.353 2.818 111 HE1 TYR 13 1HE TYR 13 -5.277 -2.543 2.071 112 HE2 TYR 13 2HE TYR 13 -1.119 -3.251 1.354 113 HH TYR 13 HH TYR 13 -4.313 -3.880 0.251 114 H ARG 14 HN ARG 14 0.213 2.306 4.254 115 HA ARG 14 HA ARG 14 1.487 2.407 1.686 116 HB2 ARG 14 2HB ARG 14 2.068 4.026 3.426 117 HB3 ARG 14 1HB ARG 14 2.560 2.725 4.494 118 HG2 ARG 14 2HG ARG 14 4.342 2.140 2.869 119 HG3 ARG 14 1HG ARG 14 3.901 3.566 1.931 120 HD2 ARG 14 2HD ARG 14 4.358 4.970 3.908 121 HD3 ARG 14 1HD ARG 14 4.839 3.526 4.796 122 HE ARG 14 HE ARG 14 6.216 4.220 2.323 123 HH11 ARG 14 1HH1 ARG 14 6.356 3.933 5.856 124 HH12 ARG 14 2HH1 ARG 14 8.056 4.081 5.921 125 HH21 ARG 14 1HH2 ARG 14 8.554 4.397 2.447 126 HH22 ARG 14 2HH2 ARG 14 9.320 4.324 3.964 127 H LYS 15 HN LYS 15 2.027 0.554 0.745 128 HA LYS 15 HA LYS 15 3.108 -1.581 2.422 129 HB2 LYS 15 2HB LYS 15 1.024 -2.140 1.171 130 HB3 LYS 15 1HB LYS 15 1.855 -1.758 -0.328 131 HG2 LYS 15 2HG LYS 15 3.393 -3.587 0.008 132 HG3 LYS 15 1HG LYS 15 2.671 -3.927 1.585 133 HD2 LYS 15 2HD LYS 15 0.538 -4.414 0.501 134 HD3 LYS 15 1HD LYS 15 1.261 -4.086 -1.074 135 HE2 LYS 15 2HE LYS 15 2.807 -5.932 -0.762 136 HE3 LYS 15 1HE LYS 15 2.148 -6.248 0.839 137 HZ1 LYS 15 1HZ LYS 15 0.710 -6.457 -1.733 138 HZ2 LYS 15 2HZ LYS 15 -0.010 -6.654 -0.230 139 HZ3 LYS 15 3HZ LYS 15 1.174 -7.749 -0.751 140 H CYS 16 HN CYS 16 5.264 -1.800 2.211 141 HA CYS 16 HA CYS 16 6.428 -0.847 -0.293 142 HB2 CYS 16 2HB CYS 16 6.610 0.852 1.532 143 HB3 CYS 16 1HB CYS 16 7.551 -0.311 2.453 144 H ARG 17 HN ARG 17 8.351 -1.831 -0.889 145 HA ARG 17 HA ARG 17 9.231 -4.075 0.697 146 HB2 ARG 17 2HB ARG 17 9.314 -5.536 -1.335 147 HB3 ARG 17 1HB ARG 17 7.685 -5.116 -0.842 148 HG2 ARG 17 2HG ARG 17 7.657 -3.379 -2.629 149 HG3 ARG 17 1HG ARG 17 9.236 -3.969 -3.154 150 HD2 ARG 17 2HD ARG 17 6.667 -5.551 -3.069 151 HD3 ARG 17 1HD ARG 17 7.478 -4.945 -4.509 152 HE ARG 17 HE ARG 17 9.382 -6.437 -3.415 153 HH11 ARG 17 1HH1 ARG 17 6.005 -7.134 -4.181 154 HH12 ARG 17 2HH1 ARG 17 6.220 -8.817 -4.341 155 HH21 ARG 17 1HH2 ARG 17 9.696 -8.740 -3.632 156 HH22 ARG 17 2HH2 ARG 17 8.377 -9.755 -3.985 157 HN1 NH2 18 1H ARG 17 11.150 -3.344 1.184 158 HN2 NH2 18 2H ARG 17 12.303 -2.670 0.087 Start of MODEL 13 1 H1 ARG 1 1HT ARG 1 12.563 2.945 0.292 2 H2 ARG 1 2HT ARG 1 13.657 2.747 -0.966 3 H3 ARG 1 3HT ARG 1 13.985 2.069 0.543 4 HA ARG 1 HA ARG 1 13.197 0.390 -1.044 5 HB2 ARG 1 2HB ARG 1 12.618 0.254 1.419 6 HB3 ARG 1 1HB ARG 1 11.098 1.049 1.045 7 HG2 ARG 1 2HG ARG 1 10.608 -1.243 1.203 8 HG3 ARG 1 1HG ARG 1 10.634 -0.889 -0.526 9 HD2 ARG 1 2HD ARG 1 11.808 -2.959 -0.119 10 HD3 ARG 1 1HD ARG 1 12.974 -1.725 -0.602 11 HE ARG 1 HE ARG 1 12.653 -1.871 2.221 12 HH11 ARG 1 1HH1 ARG 1 14.388 -3.372 -0.477 13 HH12 ARG 1 2HH1 ARG 1 15.614 -4.012 0.510 14 HH21 ARG 1 1HH2 ARG 1 14.305 -2.763 3.542 15 HH22 ARG 1 2HH2 ARG 1 15.568 -3.672 2.857 16 H TRP 2 HN TRP 2 11.672 -0.142 -2.684 17 HA TRP 2 HA TRP 2 10.080 2.071 -3.530 18 HB2 TRP 2 2HB TRP 2 10.538 -0.673 -4.719 19 HB3 TRP 2 1HB TRP 2 9.381 0.469 -5.396 20 HD1 TRP 2 1HD TRP 2 10.390 2.773 -6.395 21 HE1 TRP 2 1HE TRP 2 12.674 3.303 -7.423 22 HE3 TRP 2 3HE TRP 2 13.018 -1.243 -4.653 23 HZ2 TRP 2 2HZ TRP 2 15.262 2.158 -7.495 24 HZ3 TRP 2 3HZ TRP 2 15.376 -1.454 -5.243 25 HH2 TRP 2 2HH TRP 2 16.478 0.209 -6.634 26 H CYS 3 HN CYS 3 8.181 2.471 -2.878 27 HA CYS 3 HA CYS 3 6.555 0.289 -1.772 28 HB2 CYS 3 2HB CYS 3 6.716 3.139 -0.780 29 HB3 CYS 3 1HB CYS 3 5.747 1.845 -0.088 30 H PHE 4 HN PHE 4 4.292 0.591 -1.919 31 HA PHE 4 HA PHE 4 3.375 2.602 -3.798 32 HB2 PHE 4 2HB PHE 4 2.059 0.838 -5.015 33 HB3 PHE 4 1HB PHE 4 3.804 0.655 -5.161 34 HD1 PHE 4 1HD PHE 4 4.954 -1.242 -4.222 35 HD2 PHE 4 2HD PHE 4 0.756 -0.785 -3.730 36 HE1 PHE 4 1HE PHE 4 4.790 -3.575 -3.491 37 HE2 PHE 4 2HE PHE 4 0.581 -3.108 -2.985 38 HZ PHE 4 HZ PHE 4 2.607 -4.524 -2.866 39 H ARG 5 HN ARG 5 1.100 3.071 -3.501 40 HA ARG 5 HA ARG 5 0.292 2.261 -0.811 41 HB2 ARG 5 2HB ARG 5 0.655 4.729 -1.388 42 HB3 ARG 5 1HB ARG 5 -0.817 4.612 -2.342 43 HG2 ARG 5 2HG ARG 5 -2.104 4.075 -0.387 44 HG3 ARG 5 1HG ARG 5 -0.645 3.984 0.596 45 HD2 ARG 5 2HD ARG 5 -0.234 6.394 0.014 46 HD3 ARG 5 1HD ARG 5 -1.846 6.421 -0.699 47 HE ARG 5 HE ARG 5 -1.835 5.445 1.993 48 HH11 ARG 5 1HH1 ARG 5 -1.843 8.422 0.083 49 HH12 ARG 5 2HH1 ARG 5 -2.533 9.359 1.335 50 HH21 ARG 5 1HH2 ARG 5 -2.776 6.726 3.665 51 HH22 ARG 5 2HH2 ARG 5 -3.044 8.380 3.425 52 H VAL 6 HN VAL 6 -1.456 1.134 -0.468 53 HA VAL 6 HA VAL 6 -3.133 0.453 -2.785 54 HB VAL 6 HB VAL 6 -2.357 -1.226 -0.365 55 HG11 VAL 6 1HG1 VAL 6 -3.701 -3.034 -1.327 56 HG12 VAL 6 2HG1 VAL 6 -4.267 -1.946 -2.595 57 HG13 VAL 6 3HG1 VAL 6 -4.712 -1.648 -0.916 58 HG21 VAL 6 1HG2 VAL 6 -0.674 -1.126 -2.087 59 HG22 VAL 6 2HG2 VAL 6 -1.862 -1.597 -3.302 60 HG23 VAL 6 3HG2 VAL 6 -1.408 -2.727 -2.026 61 H CYS 7 HN CYS 7 -5.300 0.661 -2.564 62 HA CYS 7 HA CYS 7 -6.295 1.650 0.005 63 HB2 CYS 7 2HB CYS 7 -7.358 2.042 -2.795 64 HB3 CYS 7 1HB CYS 7 -8.164 2.581 -1.326 65 H TYR 8 HN TYR 8 -7.606 0.435 1.048 66 HA TYR 8 HA TYR 8 -9.015 -1.696 -0.378 67 HB2 TYR 8 2HB TYR 8 -7.164 -2.621 0.934 68 HB3 TYR 8 1HB TYR 8 -7.750 -1.770 2.360 69 HD1 TYR 8 1HD TYR 8 -9.424 -2.703 3.733 70 HD2 TYR 8 2HD TYR 8 -8.561 -4.499 -0.028 71 HE1 TYR 8 1HE TYR 8 -10.793 -4.618 4.348 72 HE2 TYR 8 2HE TYR 8 -9.934 -6.436 0.583 73 HH TYR 8 HH TYR 8 -11.998 -6.441 3.338 74 H ARG 9 HN ARG 9 -10.939 -0.686 -0.517 75 HA ARG 9 HA ARG 9 -13.002 0.034 0.075 76 HB2 ARG 9 2HB ARG 9 -12.299 -1.464 2.600 77 HB3 ARG 9 1HB ARG 9 -13.900 -0.830 2.255 78 HG2 ARG 9 2HG ARG 9 -12.456 -2.866 0.559 79 HG3 ARG 9 1HG ARG 9 -13.668 -3.255 1.778 80 HD2 ARG 9 2HD ARG 9 -15.292 -1.844 0.535 81 HD3 ARG 9 1HD ARG 9 -14.078 -1.614 -0.720 82 HE ARG 9 HE ARG 9 -14.246 -4.291 -0.514 83 HH11 ARG 9 1HH1 ARG 9 -16.702 -1.780 -0.975 84 HH12 ARG 9 2HH1 ARG 9 -17.769 -2.768 -1.850 85 HH21 ARG 9 1HH2 ARG 9 -15.734 -5.658 -1.748 86 HH22 ARG 9 2HH2 ARG 9 -17.200 -5.021 -2.317 87 H GLY 10 HN GLY 10 -10.748 1.790 0.616 88 HA2 GLY 10 2HA GLY 10 -11.280 4.122 1.234 89 HA3 GLY 10 1HA GLY 10 -11.990 3.474 2.705 90 H ILE 11 HN ILE 11 -9.805 1.526 3.042 91 HA ILE 11 HA ILE 11 -8.038 3.318 4.453 92 HB ILE 11 HB ILE 11 -7.948 0.272 4.314 93 HG12 ILE 11 2HG1 ILE 11 -8.771 0.426 6.741 94 HG13 ILE 11 1HG1 ILE 11 -9.203 2.089 6.391 95 HG21 ILE 11 1HG2 ILE 11 -5.794 1.224 4.889 96 HG22 ILE 11 2HG2 ILE 11 -6.488 0.374 6.266 97 HG23 ILE 11 3HG2 ILE 11 -6.528 2.137 6.208 98 HD11 ILE 11 1HD1 ILE 11 -11.123 0.586 6.267 99 HD12 ILE 11 2HD1 ILE 11 -10.308 -0.349 5.009 100 HD13 ILE 11 3HD1 ILE 11 -10.782 1.320 4.699 101 H CYS 12 HN CYS 12 -6.585 4.280 3.173 102 HA CYS 12 HA CYS 12 -5.177 2.633 1.199 103 HB2 CYS 12 2HB CYS 12 -5.155 5.638 1.491 104 HB3 CYS 12 1HB CYS 12 -4.395 4.681 0.219 105 H TYR 13 HN TYR 13 -3.407 1.778 1.827 106 HA TYR 13 HA TYR 13 -1.761 3.246 3.740 107 HB2 TYR 13 2HB TYR 13 -1.116 1.088 4.760 108 HB3 TYR 13 1HB TYR 13 -2.822 1.469 4.938 109 HD1 TYR 13 1HD TYR 13 -0.389 -0.792 3.399 110 HD2 TYR 13 2HD TYR 13 -4.519 0.140 3.778 111 HE1 TYR 13 1HE TYR 13 -0.967 -3.000 2.510 112 HE2 TYR 13 2HE TYR 13 -5.112 -2.048 2.900 113 HH TYR 13 HH TYR 13 -2.973 -4.541 2.751 114 H ARG 14 HN ARG 14 0.431 3.060 3.514 115 HA ARG 14 HA ARG 14 1.333 2.387 0.866 116 HB2 ARG 14 2HB ARG 14 2.180 4.400 1.955 117 HB3 ARG 14 1HB ARG 14 2.822 3.432 3.274 118 HG2 ARG 14 2HG ARG 14 4.375 2.355 1.742 119 HG3 ARG 14 1HG ARG 14 3.725 3.309 0.406 120 HD2 ARG 14 2HD ARG 14 5.798 4.265 1.258 121 HD3 ARG 14 1HD ARG 14 4.442 5.359 1.508 122 HE ARG 14 HE ARG 14 4.900 3.712 3.786 123 HH11 ARG 14 1HH1 ARG 14 6.127 6.580 2.140 124 HH12 ARG 14 2HH1 ARG 14 6.786 7.280 3.552 125 HH21 ARG 14 1HH2 ARG 14 5.750 4.661 5.701 126 HH22 ARG 14 2HH2 ARG 14 6.538 6.178 5.628 127 H LYS 15 HN LYS 15 2.117 0.504 0.298 128 HA LYS 15 HA LYS 15 2.997 -1.338 2.400 129 HB2 LYS 15 2HB LYS 15 0.912 -1.882 1.004 130 HB3 LYS 15 1HB LYS 15 2.001 -2.042 -0.363 131 HG2 LYS 15 2HG LYS 15 3.200 -3.819 0.804 132 HG3 LYS 15 1HG LYS 15 2.081 -3.672 2.161 133 HD2 LYS 15 2HD LYS 15 0.219 -4.157 0.547 134 HD3 LYS 15 1HD LYS 15 1.454 -4.520 -0.661 135 HE2 LYS 15 2HE LYS 15 1.036 -5.924 1.977 136 HE3 LYS 15 1HE LYS 15 0.677 -6.558 0.377 137 HZ1 LYS 15 1HZ LYS 15 3.387 -5.912 1.428 138 HZ2 LYS 15 2HZ LYS 15 3.060 -6.478 -0.125 139 HZ3 LYS 15 3HZ LYS 15 2.729 -7.443 1.205 140 H CYS 16 HN CYS 16 5.050 -2.207 2.095 141 HA CYS 16 HA CYS 16 6.478 -1.138 -0.224 142 HB2 CYS 16 2HB CYS 16 7.511 -1.692 2.552 143 HB3 CYS 16 1HB CYS 16 8.505 -1.177 1.190 144 H ARG 17 HN ARG 17 7.664 -2.457 -1.456 145 HA ARG 17 HA ARG 17 7.854 -5.264 -0.667 146 HB2 ARG 17 2HB ARG 17 5.903 -5.043 -2.102 147 HB3 ARG 17 1HB ARG 17 6.849 -4.163 -3.289 148 HG2 ARG 17 2HG ARG 17 8.161 -6.165 -3.743 149 HG3 ARG 17 1HG ARG 17 7.234 -7.053 -2.532 150 HD2 ARG 17 2HD ARG 17 6.416 -7.478 -4.804 151 HD3 ARG 17 1HD ARG 17 5.201 -6.708 -3.788 152 HE ARG 17 HE ARG 17 6.757 -4.861 -5.340 153 HH11 ARG 17 1HH1 ARG 17 3.864 -6.886 -5.310 154 HH12 ARG 17 2HH1 ARG 17 3.070 -5.995 -6.522 155 HH21 ARG 17 1HH2 ARG 17 5.678 -3.651 -6.976 156 HH22 ARG 17 2HH2 ARG 17 4.104 -4.102 -7.484 157 HN1 NH2 18 1H ARG 17 9.992 -5.185 -0.347 158 HN2 NH2 18 2H ARG 17 11.166 -4.773 -1.542 Start of MODEL 14 1 H1 ARG 1 1HT ARG 1 12.425 -0.985 -0.918 2 H2 ARG 1 2HT ARG 1 11.922 -0.261 0.505 3 H3 ARG 1 3HT ARG 1 13.566 -0.416 0.191 4 HA ARG 1 HA ARG 1 12.792 1.826 -0.106 5 HB2 ARG 1 2HB ARG 1 13.762 0.332 -2.511 6 HB3 ARG 1 1HB ARG 1 13.439 2.051 -2.598 7 HG2 ARG 1 2HG ARG 1 15.069 2.437 -0.820 8 HG3 ARG 1 1HG ARG 1 15.400 0.702 -0.757 9 HD2 ARG 1 2HD ARG 1 17.032 1.998 -2.106 10 HD3 ARG 1 1HD ARG 1 16.218 0.718 -3.010 11 HE ARG 1 HE ARG 1 14.842 3.170 -3.279 12 HH11 ARG 1 1HH1 ARG 1 17.869 1.702 -4.304 13 HH12 ARG 1 2HH1 ARG 1 17.888 2.397 -5.841 14 HH21 ARG 1 1HH2 ARG 1 14.820 4.165 -5.400 15 HH22 ARG 1 2HH2 ARG 1 16.103 3.874 -6.479 16 H TRP 2 HN TRP 2 11.507 -0.096 -2.834 17 HA TRP 2 HA TRP 2 9.717 1.943 -3.583 18 HB2 TRP 2 2HB TRP 2 10.645 0.325 -5.176 19 HB3 TRP 2 1HB TRP 2 9.735 -0.958 -4.383 20 HD1 TRP 2 1HD TRP 2 7.330 -1.290 -5.097 21 HE1 TRP 2 1HE TRP 2 5.700 -0.114 -6.779 22 HE3 TRP 2 3HE TRP 2 10.117 2.827 -6.138 23 HZ2 TRP 2 2HZ TRP 2 5.657 2.259 -8.292 24 HZ3 TRP 2 3HZ TRP 2 9.228 4.510 -7.698 25 HH2 TRP 2 2HH TRP 2 7.043 4.222 -8.750 26 H CYS 3 HN CYS 3 8.035 2.531 -2.654 27 HA CYS 3 HA CYS 3 6.249 0.545 -1.494 28 HB2 CYS 3 2HB CYS 3 6.769 3.319 -0.391 29 HB3 CYS 3 1HB CYS 3 5.694 2.094 0.270 30 H PHE 4 HN PHE 4 4.182 0.812 -1.942 31 HA PHE 4 HA PHE 4 3.451 3.056 -3.631 32 HB2 PHE 4 2HB PHE 4 2.169 1.406 -5.068 33 HB3 PHE 4 1HB PHE 4 3.930 1.311 -5.146 34 HD1 PHE 4 1HD PHE 4 5.080 -0.661 -4.629 35 HD2 PHE 4 2HD PHE 4 0.944 -0.335 -3.732 36 HE1 PHE 4 1HE PHE 4 5.006 -3.067 -4.128 37 HE2 PHE 4 2HE PHE 4 0.848 -2.711 -3.215 38 HZ PHE 4 HZ PHE 4 2.887 -4.107 -3.418 39 H ARG 5 HN ARG 5 1.183 3.507 -3.619 40 HA ARG 5 HA ARG 5 0.075 3.028 -0.978 41 HB2 ARG 5 2HB ARG 5 0.232 5.301 -2.099 42 HB3 ARG 5 1HB ARG 5 -1.028 4.747 -3.188 43 HG2 ARG 5 2HG ARG 5 -2.548 4.475 -1.303 44 HG3 ARG 5 1HG ARG 5 -1.290 5.068 -0.213 45 HD2 ARG 5 2HD ARG 5 -1.195 7.167 -1.520 46 HD3 ARG 5 1HD ARG 5 -2.523 6.578 -2.515 47 HE ARG 5 HE ARG 5 -2.774 6.994 0.383 48 HH11 ARG 5 1HH1 ARG 5 -4.042 7.472 -2.911 49 HH12 ARG 5 2HH1 ARG 5 -5.398 8.336 -2.389 50 HH21 ARG 5 1HH2 ARG 5 -4.693 8.183 1.060 51 HH22 ARG 5 2HH2 ARG 5 -5.798 8.720 -0.097 52 H VAL 6 HN VAL 6 -1.400 1.516 -0.624 53 HA VAL 6 HA VAL 6 -3.042 0.550 -2.865 54 HB VAL 6 HB VAL 6 -2.085 -1.020 -0.424 55 HG11 VAL 6 1HG1 VAL 6 -3.195 -2.956 -1.430 56 HG12 VAL 6 2HG1 VAL 6 -3.828 -1.932 -2.717 57 HG13 VAL 6 3HG1 VAL 6 -4.359 -1.686 -1.054 58 HG21 VAL 6 1HG2 VAL 6 -1.452 -1.337 -3.338 59 HG22 VAL 6 2HG2 VAL 6 -0.940 -2.413 -2.038 60 HG23 VAL 6 3HG2 VAL 6 -0.367 -0.745 -2.078 61 H CYS 7 HN CYS 7 -5.185 0.691 -2.580 62 HA CYS 7 HA CYS 7 -6.126 1.552 0.052 63 HB2 CYS 7 2HB CYS 7 -7.368 1.960 -2.676 64 HB3 CYS 7 1HB CYS 7 -8.052 2.498 -1.146 65 H TYR 8 HN TYR 8 -7.365 0.308 1.135 66 HA TYR 8 HA TYR 8 -8.697 -1.942 -0.195 67 HB2 TYR 8 2HB TYR 8 -6.783 -2.675 1.197 68 HB3 TYR 8 1HB TYR 8 -7.472 -1.799 2.562 69 HD1 TYR 8 1HD TYR 8 -7.902 -4.740 0.356 70 HD2 TYR 8 2HD TYR 8 -9.222 -2.761 3.887 71 HE1 TYR 8 1HE TYR 8 -9.149 -6.747 1.016 72 HE2 TYR 8 2HE TYR 8 -10.467 -4.758 4.548 73 HH TYR 8 HH TYR 8 -10.035 -7.768 3.064 74 H ARG 9 HN ARG 9 -10.710 -1.055 -0.366 75 HA ARG 9 HA ARG 9 -12.818 -0.471 0.211 76 HB2 ARG 9 2HB ARG 9 -12.015 -1.464 2.951 77 HB3 ARG 9 1HB ARG 9 -13.660 -1.171 2.417 78 HG2 ARG 9 2HG ARG 9 -11.784 -3.244 1.276 79 HG3 ARG 9 1HG ARG 9 -13.086 -3.556 2.418 80 HD2 ARG 9 2HD ARG 9 -13.394 -2.488 -0.392 81 HD3 ARG 9 1HD ARG 9 -13.747 -4.127 0.147 82 HE ARG 9 HE ARG 9 -15.169 -1.981 1.487 83 HH11 ARG 9 1HH1 ARG 9 -15.303 -4.491 -1.009 84 HH12 ARG 9 2HH1 ARG 9 -17.006 -4.486 -1.102 85 HH21 ARG 9 1HH2 ARG 9 -17.471 -1.985 1.354 86 HH22 ARG 9 2HH2 ARG 9 -18.278 -3.022 0.275 87 H GLY 10 HN GLY 10 -10.547 1.452 0.666 88 HA2 GLY 10 2HA GLY 10 -11.188 3.811 1.056 89 HA3 GLY 10 1HA GLY 10 -11.933 3.255 2.548 90 H ILE 11 HN ILE 11 -9.688 1.387 3.081 91 HA ILE 11 HA ILE 11 -8.011 3.314 4.413 92 HB ILE 11 HB ILE 11 -7.796 0.275 4.385 93 HG12 ILE 11 2HG1 ILE 11 -8.564 0.486 6.808 94 HG13 ILE 11 1HG1 ILE 11 -9.032 2.137 6.428 95 HG21 ILE 11 1HG2 ILE 11 -6.361 2.251 6.149 96 HG22 ILE 11 2HG2 ILE 11 -5.655 1.284 4.855 97 HG23 ILE 11 3HG2 ILE 11 -6.290 0.492 6.297 98 HD11 ILE 11 1HD1 ILE 11 -10.109 -0.357 5.141 99 HD12 ILE 11 2HD1 ILE 11 -10.618 1.294 4.781 100 HD13 ILE 11 3HD1 ILE 11 -10.913 0.606 6.383 101 H CYS 12 HN CYS 12 -6.610 4.315 3.121 102 HA CYS 12 HA CYS 12 -5.138 2.696 1.195 103 HB2 CYS 12 2HB CYS 12 -5.210 5.703 1.490 104 HB3 CYS 12 1HB CYS 12 -4.387 4.783 0.233 105 H TYR 13 HN TYR 13 -3.392 1.885 1.871 106 HA TYR 13 HA TYR 13 -1.747 3.353 3.801 107 HB2 TYR 13 2HB TYR 13 -0.973 1.103 4.614 108 HB3 TYR 13 1HB TYR 13 -2.664 1.437 4.951 109 HD1 TYR 13 1HD TYR 13 -0.321 -0.747 3.178 110 HD2 TYR 13 2HD TYR 13 -4.430 0.261 3.667 111 HE1 TYR 13 1HE TYR 13 -0.966 -2.862 2.139 112 HE2 TYR 13 2HE TYR 13 -5.083 -1.832 2.640 113 HH TYR 13 HH TYR 13 -2.984 -4.378 2.227 114 H ARG 14 HN ARG 14 0.581 2.790 3.588 115 HA ARG 14 HA ARG 14 1.088 2.442 0.746 116 HB2 ARG 14 2HB ARG 14 1.827 4.580 1.947 117 HB3 ARG 14 1HB ARG 14 3.041 3.579 2.735 118 HG2 ARG 14 2HG ARG 14 3.971 2.973 0.595 119 HG3 ARG 14 1HG ARG 14 2.733 3.911 -0.231 120 HD2 ARG 14 2HD ARG 14 3.573 5.946 0.908 121 HD3 ARG 14 1HD ARG 14 4.876 4.976 1.599 122 HE ARG 14 HE ARG 14 4.565 4.933 -1.279 123 HH11 ARG 14 1HH1 ARG 14 6.318 6.321 1.452 124 HH12 ARG 14 2HH1 ARG 14 7.666 6.792 0.535 125 HH21 ARG 14 1HH2 ARG 14 6.430 5.577 -2.551 126 HH22 ARG 14 2HH2 ARG 14 7.729 6.353 -1.802 127 H LYS 15 HN LYS 15 1.756 0.596 0.159 128 HA LYS 15 HA LYS 15 2.814 -1.283 2.119 129 HB2 LYS 15 2HB LYS 15 0.813 -1.903 0.805 130 HB3 LYS 15 1HB LYS 15 1.723 -1.675 -0.676 131 HG2 LYS 15 2HG LYS 15 3.169 -3.527 -0.105 132 HG3 LYS 15 1HG LYS 15 2.338 -3.709 1.441 133 HD2 LYS 15 2HD LYS 15 0.252 -4.215 0.266 134 HD3 LYS 15 1HD LYS 15 1.075 -4.017 -1.281 135 HE2 LYS 15 2HE LYS 15 0.858 -6.376 -0.700 136 HE3 LYS 15 1HE LYS 15 2.549 -5.885 -0.741 137 HZ1 LYS 15 1HZ LYS 15 2.519 -5.751 1.684 138 HZ2 LYS 15 2HZ LYS 15 2.049 -7.284 1.165 139 HZ3 LYS 15 3HZ LYS 15 0.899 -6.189 1.710 140 H CYS 16 HN CYS 16 4.830 -2.215 1.814 141 HA CYS 16 HA CYS 16 6.438 -0.974 -0.298 142 HB2 CYS 16 2HB CYS 16 7.267 -1.871 2.462 143 HB3 CYS 16 1HB CYS 16 8.365 -1.247 1.233 144 H ARG 17 HN ARG 17 8.021 -2.219 -1.302 145 HA ARG 17 HA ARG 17 7.276 -5.027 -1.495 146 HB2 ARG 17 2HB ARG 17 7.772 -3.332 -3.451 147 HB3 ARG 17 1HB ARG 17 9.452 -3.672 -3.086 148 HG2 ARG 17 2HG ARG 17 7.389 -5.708 -3.947 149 HG3 ARG 17 1HG ARG 17 8.615 -4.992 -4.978 150 HD2 ARG 17 2HD ARG 17 10.362 -6.043 -3.610 151 HD3 ARG 17 1HD ARG 17 9.127 -6.746 -2.568 152 HE ARG 17 HE ARG 17 9.072 -7.323 -5.422 153 HH11 ARG 17 1HH1 ARG 17 9.569 -8.557 -2.124 154 HH12 ARG 17 2HH1 ARG 17 9.592 -10.181 -2.608 155 HH21 ARG 17 1HH2 ARG 17 9.063 -9.528 -6.039 156 HH22 ARG 17 2HH2 ARG 17 9.274 -10.768 -4.894 157 HN1 NH2 18 1H ARG 17 8.101 -5.829 0.417 158 HN2 NH2 18 2H ARG 17 9.780 -5.894 0.808 Start of MODEL 15 1 H1 ARG 1 1HT ARG 1 14.766 0.514 -1.161 2 H2 ARG 1 2HT ARG 1 13.374 1.299 -0.562 3 H3 ARG 1 3HT ARG 1 14.146 1.877 -1.930 4 HA ARG 1 HA ARG 1 13.555 0.034 -3.203 5 HB2 ARG 1 2HB ARG 1 12.051 -0.875 -0.725 6 HB3 ARG 1 1HB ARG 1 11.918 -1.600 -2.309 7 HG2 ARG 1 2HG ARG 1 14.453 -1.524 -0.695 8 HG3 ARG 1 1HG ARG 1 13.320 -2.872 -0.710 9 HD2 ARG 1 2HD ARG 1 13.691 -3.115 -3.137 10 HD3 ARG 1 1HD ARG 1 14.843 -1.786 -3.077 11 HE ARG 1 HE ARG 1 15.578 -3.701 -1.194 12 HH11 ARG 1 1HH1 ARG 1 15.526 -3.310 -4.728 13 HH12 ARG 1 2HH1 ARG 1 16.797 -4.411 -4.984 14 HH21 ARG 1 1HH2 ARG 1 17.286 -5.202 -1.584 15 HH22 ARG 1 2HH2 ARG 1 17.824 -5.500 -3.182 16 H TRP 2 HN TRP 2 11.346 -0.125 -4.138 17 HA TRP 2 HA TRP 2 10.046 2.409 -3.850 18 HB2 TRP 2 2HB TRP 2 9.362 0.060 -5.625 19 HB3 TRP 2 1HB TRP 2 8.606 1.652 -5.702 20 HD1 TRP 2 1HD TRP 2 10.433 3.729 -6.217 21 HE1 TRP 2 1HE TRP 2 12.380 3.737 -7.878 22 HE3 TRP 2 3HE TRP 2 10.961 -1.313 -6.823 23 HZ2 TRP 2 2HZ TRP 2 13.941 1.829 -9.284 24 HZ3 TRP 2 3HZ TRP 2 12.700 -2.136 -8.353 25 HH2 TRP 2 2HH TRP 2 14.153 -0.595 -9.556 26 H CYS 3 HN CYS 3 8.098 2.841 -3.024 27 HA CYS 3 HA CYS 3 6.696 0.649 -1.661 28 HB2 CYS 3 2HB CYS 3 6.942 3.513 -0.686 29 HB3 CYS 3 1HB CYS 3 6.231 2.161 0.183 30 H PHE 4 HN PHE 4 4.392 0.826 -1.697 31 HA PHE 4 HA PHE 4 3.369 2.822 -3.569 32 HB2 PHE 4 2HB PHE 4 2.014 0.958 -4.627 33 HB3 PHE 4 1HB PHE 4 3.753 0.893 -4.905 34 HD1 PHE 4 1HD PHE 4 5.092 -0.908 -4.080 35 HD2 PHE 4 2HD PHE 4 0.962 -0.669 -3.112 36 HE1 PHE 4 1HE PHE 4 5.165 -3.209 -3.233 37 HE2 PHE 4 2HE PHE 4 1.019 -2.961 -2.254 38 HZ PHE 4 HZ PHE 4 3.132 -4.245 -2.313 39 H ARG 5 HN ARG 5 0.972 2.997 -3.455 40 HA ARG 5 HA ARG 5 0.090 2.432 -0.711 41 HB2 ARG 5 2HB ARG 5 0.425 4.869 -1.445 42 HB3 ARG 5 1HB ARG 5 -0.972 4.627 -2.483 43 HG2 ARG 5 2HG ARG 5 -2.349 4.122 -0.541 44 HG3 ARG 5 1HG ARG 5 -0.949 4.324 0.512 45 HD2 ARG 5 2HD ARG 5 -0.759 6.676 -0.377 46 HD3 ARG 5 1HD ARG 5 -2.315 6.432 -1.160 47 HE ARG 5 HE ARG 5 -2.064 5.974 1.698 48 HH11 ARG 5 1HH1 ARG 5 -3.423 7.978 -0.896 49 HH12 ARG 5 2HH1 ARG 5 -4.449 8.851 0.142 50 HH21 ARG 5 1HH2 ARG 5 -3.498 7.213 3.119 51 HH22 ARG 5 2HH2 ARG 5 -4.504 8.402 2.457 52 H VAL 6 HN VAL 6 -1.557 1.103 -0.520 53 HA VAL 6 HA VAL 6 -3.166 0.495 -2.904 54 HB VAL 6 HB VAL 6 -2.591 -1.281 -0.497 55 HG11 VAL 6 1HG1 VAL 6 -3.692 -3.057 -1.767 56 HG12 VAL 6 2HG1 VAL 6 -4.083 -1.902 -3.040 57 HG13 VAL 6 3HG1 VAL 6 -4.799 -1.720 -1.437 58 HG21 VAL 6 1HG2 VAL 6 -0.640 -1.067 -1.879 59 HG22 VAL 6 2HG2 VAL 6 -1.576 -1.453 -3.323 60 HG23 VAL 6 3HG2 VAL 6 -1.332 -2.678 -2.075 61 H CYS 7 HN CYS 7 -5.337 0.788 -2.736 62 HA CYS 7 HA CYS 7 -6.339 1.556 -0.103 63 HB2 CYS 7 2HB CYS 7 -7.148 2.587 -2.825 64 HB3 CYS 7 1HB CYS 7 -8.013 2.934 -1.331 65 H TYR 8 HN TYR 8 -7.890 0.446 0.697 66 HA TYR 8 HA TYR 8 -9.566 -1.215 -1.033 67 HB2 TYR 8 2HB TYR 8 -7.860 -2.668 -0.027 68 HB3 TYR 8 1HB TYR 8 -8.249 -1.998 1.560 69 HD1 TYR 8 1HD TYR 8 -9.762 -3.955 -1.251 70 HD2 TYR 8 2HD TYR 8 -9.857 -3.054 2.910 71 HE1 TYR 8 1HE TYR 8 -11.435 -5.715 -0.911 72 HE2 TYR 8 2HE TYR 8 -11.527 -4.805 3.263 73 HH TYR 8 HH TYR 8 -13.215 -6.034 2.004 74 H ARG 9 HN ARG 9 -11.355 -0.008 -0.833 75 HA ARG 9 HA ARG 9 -13.359 0.694 0.018 76 HB2 ARG 9 2HB ARG 9 -12.588 -0.996 2.403 77 HB3 ARG 9 1HB ARG 9 -14.189 -0.346 2.109 78 HG2 ARG 9 2HG ARG 9 -12.736 -2.387 0.433 79 HG3 ARG 9 1HG ARG 9 -14.115 -2.677 1.495 80 HD2 ARG 9 2HD ARG 9 -15.483 -1.200 0.106 81 HD3 ARG 9 1HD ARG 9 -14.102 -0.929 -0.953 82 HE ARG 9 HE ARG 9 -14.789 -3.682 -0.635 83 HH11 ARG 9 1HH1 ARG 9 -15.327 -0.755 -2.560 84 HH12 ARG 9 2HH1 ARG 9 -16.064 -1.589 -3.856 85 HH21 ARG 9 1HH2 ARG 9 -15.782 -4.795 -2.435 86 HH22 ARG 9 2HH2 ARG 9 -16.326 -3.908 -3.785 87 H GLY 10 HN GLY 10 -10.830 2.138 0.661 88 HA2 GLY 10 2HA GLY 10 -10.960 4.401 1.562 89 HA3 GLY 10 1HA GLY 10 -11.911 3.743 2.890 90 H ILE 11 HN ILE 11 -9.981 1.349 2.854 91 HA ILE 11 HA ILE 11 -8.092 2.494 4.688 92 HB ILE 11 HB ILE 11 -8.397 -0.382 3.710 93 HG12 ILE 11 2HG1 ILE 11 -9.101 -0.825 6.113 94 HG13 ILE 11 1HG1 ILE 11 -9.269 0.915 6.306 95 HG21 ILE 11 1HG2 ILE 11 -6.596 0.679 5.864 96 HG22 ILE 11 2HG2 ILE 11 -6.117 -0.007 4.317 97 HG23 ILE 11 3HG2 ILE 11 -6.885 -1.030 5.534 98 HD11 ILE 11 1HD1 ILE 11 -10.771 -0.827 4.379 99 HD12 ILE 11 2HD1 ILE 11 -10.987 0.912 4.575 100 HD13 ILE 11 3HD1 ILE 11 -11.404 -0.185 5.899 101 H CYS 12 HN CYS 12 -6.643 3.674 3.590 102 HA CYS 12 HA CYS 12 -5.302 2.365 1.369 103 HB2 CYS 12 2HB CYS 12 -5.239 5.261 2.247 104 HB3 CYS 12 1HB CYS 12 -4.307 4.582 0.915 105 H TYR 13 HN TYR 13 -3.459 1.454 1.768 106 HA TYR 13 HA TYR 13 -1.912 2.438 4.036 107 HB2 TYR 13 2HB TYR 13 -1.241 0.101 4.533 108 HB3 TYR 13 1HB TYR 13 -2.962 0.369 4.747 109 HD1 TYR 13 1HD TYR 13 -4.579 -0.649 3.128 110 HD2 TYR 13 2HD TYR 13 -0.407 -1.445 2.907 111 HE1 TYR 13 1HE TYR 13 -5.042 -2.610 1.742 112 HE2 TYR 13 2HE TYR 13 -0.850 -3.405 1.511 113 HH TYR 13 HH TYR 13 -3.856 -4.092 0.082 114 H ARG 14 HN ARG 14 0.240 2.595 3.728 115 HA ARG 14 HA ARG 14 1.133 2.225 1.000 116 HB2 ARG 14 2HB ARG 14 1.705 4.343 2.173 117 HB3 ARG 14 1HB ARG 14 2.591 3.404 3.369 118 HG2 ARG 14 2HG ARG 14 4.110 2.610 1.610 119 HG3 ARG 14 1HG ARG 14 3.247 3.596 0.435 120 HD2 ARG 14 2HD ARG 14 5.271 4.702 1.153 121 HD3 ARG 14 1HD ARG 14 3.865 5.614 1.698 122 HE ARG 14 HE ARG 14 4.427 4.062 3.816 123 HH11 ARG 14 1HH1 ARG 14 6.491 6.168 1.862 124 HH12 ARG 14 2HH1 ARG 14 7.524 6.601 3.136 125 HH21 ARG 14 1HH2 ARG 14 5.820 4.669 5.594 126 HH22 ARG 14 2HH2 ARG 14 7.110 5.751 5.330 127 H LYS 15 HN LYS 15 1.855 0.355 0.495 128 HA LYS 15 HA LYS 15 3.139 -1.275 2.546 129 HB2 LYS 15 2HB LYS 15 1.105 -2.200 1.361 130 HB3 LYS 15 1HB LYS 15 2.030 -2.146 -0.130 131 HG2 LYS 15 2HG LYS 15 3.662 -3.702 0.824 132 HG3 LYS 15 1HG LYS 15 2.714 -3.751 2.314 133 HD2 LYS 15 2HD LYS 15 0.797 -4.602 1.021 134 HD3 LYS 15 1HD LYS 15 1.813 -4.641 -0.417 135 HE2 LYS 15 2HE LYS 15 3.323 -6.218 0.706 136 HE3 LYS 15 1HE LYS 15 2.289 -6.178 2.135 137 HZ1 LYS 15 1HZ LYS 15 1.540 -7.156 -0.555 138 HZ2 LYS 15 2HZ LYS 15 0.473 -6.993 0.715 139 HZ3 LYS 15 3HZ LYS 15 1.735 -8.105 0.828 140 H CYS 16 HN CYS 16 5.170 -2.113 2.042 141 HA CYS 16 HA CYS 16 6.340 -1.109 -0.413 142 HB2 CYS 16 2HB CYS 16 6.769 0.451 1.560 143 HB3 CYS 16 1HB CYS 16 7.685 -0.863 2.283 144 H ARG 17 HN ARG 17 8.563 -2.194 -0.639 145 HA ARG 17 HA ARG 17 8.209 -4.953 0.241 146 HB2 ARG 17 2HB ARG 17 9.874 -3.908 -2.060 147 HB3 ARG 17 1HB ARG 17 9.696 -5.598 -1.618 148 HG2 ARG 17 2HG ARG 17 7.606 -3.758 -2.767 149 HG3 ARG 17 1HG ARG 17 8.290 -5.214 -3.491 150 HD2 ARG 17 2HD ARG 17 6.467 -5.052 -1.086 151 HD3 ARG 17 1HD ARG 17 6.068 -5.692 -2.673 152 HE ARG 17 HE ARG 17 7.741 -7.457 -2.215 153 HH11 ARG 17 1HH1 ARG 17 6.306 -5.744 0.580 154 HH12 ARG 17 2HH1 ARG 17 6.415 -7.096 1.596 155 HH21 ARG 17 1HH2 ARG 17 7.885 -9.271 -0.748 156 HH22 ARG 17 2HH2 ARG 17 7.322 -9.119 0.859 157 HN1 NH2 18 1H ARG 17 9.118 -4.949 2.163 158 HN2 NH2 18 2H ARG 17 10.752 -4.506 2.495 Start of MODEL 16 1 H1 ARG 1 1HT ARG 1 11.878 -1.269 -3.594 2 H2 ARG 1 2HT ARG 1 13.381 -1.540 -4.251 3 H3 ARG 1 3HT ARG 1 12.339 -0.454 -4.999 4 HA ARG 1 HA ARG 1 13.594 -0.191 -2.327 5 HB2 ARG 1 2HB ARG 1 15.134 0.236 -4.232 6 HB3 ARG 1 1HB ARG 1 13.999 1.416 -4.853 7 HG2 ARG 1 2HG ARG 1 15.871 2.492 -3.762 8 HG3 ARG 1 1HG ARG 1 14.358 2.834 -2.923 9 HD2 ARG 1 2HD ARG 1 16.172 2.381 -1.354 10 HD3 ARG 1 1HD ARG 1 14.914 1.151 -1.248 11 HE ARG 1 HE ARG 1 16.699 0.134 -3.024 12 HH11 ARG 1 1HH1 ARG 1 16.979 1.284 0.304 13 HH12 ARG 1 2HH1 ARG 1 18.261 0.250 0.697 14 HH21 ARG 1 1HH2 ARG 1 18.361 -1.282 -2.510 15 HH22 ARG 1 2HH2 ARG 1 19.086 -1.272 -0.949 16 H TRP 2 HN TRP 2 10.884 0.754 -4.332 17 HA TRP 2 HA TRP 2 10.501 3.091 -2.619 18 HB2 TRP 2 2HB TRP 2 8.810 3.815 -4.232 19 HB3 TRP 2 1HB TRP 2 10.346 3.521 -5.033 20 HD1 TRP 2 1HD TRP 2 6.959 1.733 -4.507 21 HE1 TRP 2 1HE TRP 2 6.452 0.336 -6.639 22 HE3 TRP 2 3HE TRP 2 11.249 2.625 -7.105 23 HZ2 TRP 2 2HZ TRP 2 7.712 -0.279 -9.055 24 HZ3 TRP 2 3HZ TRP 2 11.519 1.601 -9.325 25 HH2 TRP 2 2HH TRP 2 9.776 0.179 -10.272 26 H CYS 3 HN CYS 3 8.171 3.491 -2.043 27 HA CYS 3 HA CYS 3 6.910 0.955 -1.332 28 HB2 CYS 3 2HB CYS 3 6.825 3.608 0.125 29 HB3 CYS 3 1HB CYS 3 5.861 2.202 0.558 30 H PHE 4 HN PHE 4 4.488 1.114 -1.252 31 HA PHE 4 HA PHE 4 3.466 3.103 -3.105 32 HB2 PHE 4 2HB PHE 4 2.224 1.248 -4.268 33 HB3 PHE 4 1HB PHE 4 3.967 1.256 -4.522 34 HD1 PHE 4 1HD PHE 4 5.308 -0.592 -3.899 35 HD2 PHE 4 2HD PHE 4 1.235 -0.431 -2.699 36 HE1 PHE 4 1HE PHE 4 5.439 -2.927 -3.158 37 HE2 PHE 4 2HE PHE 4 1.348 -2.749 -1.950 38 HZ PHE 4 HZ PHE 4 3.464 -4.019 -2.180 39 H ARG 5 HN ARG 5 1.069 3.166 -3.033 40 HA ARG 5 HA ARG 5 0.229 2.391 -0.345 41 HB2 ARG 5 2HB ARG 5 0.331 4.880 -1.055 42 HB3 ARG 5 1HB ARG 5 -1.095 4.517 -2.015 43 HG2 ARG 5 2HG ARG 5 -2.317 3.885 -0.030 44 HG3 ARG 5 1HG ARG 5 -0.880 4.119 0.962 45 HD2 ARG 5 2HD ARG 5 -0.856 6.505 0.208 46 HD3 ARG 5 1HD ARG 5 -2.418 6.211 -0.555 47 HE ARG 5 HE ARG 5 -2.161 5.620 2.288 48 HH11 ARG 5 1HH1 ARG 5 -3.419 7.838 -0.172 49 HH12 ARG 5 2HH1 ARG 5 -4.487 8.623 0.900 50 HH21 ARG 5 1HH2 ARG 5 -3.624 6.712 3.734 51 HH22 ARG 5 2HH2 ARG 5 -4.590 7.977 3.159 52 H VAL 6 HN VAL 6 -1.358 1.022 -0.128 53 HA VAL 6 HA VAL 6 -2.756 0.077 -2.530 54 HB VAL 6 HB VAL 6 -2.219 -1.313 0.134 55 HG11 VAL 6 1HG1 VAL 6 -4.394 -1.989 -0.804 56 HG12 VAL 6 2HG1 VAL 6 -3.220 -3.302 -0.842 57 HG13 VAL 6 3HG1 VAL 6 -3.591 -2.413 -2.318 58 HG21 VAL 6 1HG2 VAL 6 -1.158 -1.866 -2.620 59 HG22 VAL 6 2HG2 VAL 6 -0.857 -2.840 -1.181 60 HG23 VAL 6 3HG2 VAL 6 -0.262 -1.182 -1.265 61 H CYS 7 HN CYS 7 -4.947 0.312 -2.586 62 HA CYS 7 HA CYS 7 -6.170 1.403 -0.173 63 HB2 CYS 7 2HB CYS 7 -6.872 1.857 -3.075 64 HB3 CYS 7 1HB CYS 7 -7.884 2.367 -1.726 65 H TYR 8 HN TYR 8 -7.668 0.351 0.755 66 HA TYR 8 HA TYR 8 -9.068 -1.774 -0.676 67 HB2 TYR 8 2HB TYR 8 -7.395 -2.819 0.739 68 HB3 TYR 8 1HB TYR 8 -7.912 -1.813 2.095 69 HD1 TYR 8 1HD TYR 8 -9.005 -2.949 3.711 70 HD2 TYR 8 2HD TYR 8 -9.661 -4.066 -0.333 71 HE1 TYR 8 1HE TYR 8 -10.600 -4.643 4.441 72 HE2 TYR 8 2HE TYR 8 -11.233 -5.769 0.378 73 HH TYR 8 HH TYR 8 -11.737 -7.068 2.386 74 H ARG 9 HN ARG 9 -10.928 -0.696 -0.929 75 HA ARG 9 HA ARG 9 -12.922 0.249 -0.502 76 HB2 ARG 9 2HB ARG 9 -12.631 -1.400 2.005 77 HB3 ARG 9 1HB ARG 9 -14.123 -0.610 1.514 78 HG2 ARG 9 2HG ARG 9 -13.983 -1.951 -0.636 79 HG3 ARG 9 1HG ARG 9 -12.657 -2.819 0.112 80 HD2 ARG 9 2HD ARG 9 -15.363 -2.587 1.396 81 HD3 ARG 9 1HD ARG 9 -14.912 -3.919 0.343 82 HE ARG 9 HE ARG 9 -13.150 -4.437 1.938 83 HH11 ARG 9 1HH1 ARG 9 -15.802 -2.408 3.165 84 HH12 ARG 9 2HH1 ARG 9 -15.640 -2.953 4.755 85 HH21 ARG 9 1HH2 ARG 9 -12.985 -5.189 4.111 86 HH22 ARG 9 2HH2 ARG 9 -14.022 -4.559 5.312 87 H GLY 10 HN GLY 10 -10.817 1.935 0.091 88 HA2 GLY 10 2HA GLY 10 -11.162 4.214 0.799 89 HA3 GLY 10 1HA GLY 10 -12.123 3.603 2.138 90 H ILE 11 HN ILE 11 -10.007 1.469 2.551 91 HA ILE 11 HA ILE 11 -8.329 3.077 4.267 92 HB ILE 11 HB ILE 11 -8.447 0.055 3.906 93 HG12 ILE 11 2HG1 ILE 11 -9.383 0.114 6.281 94 HG13 ILE 11 1HG1 ILE 11 -9.664 1.831 6.029 95 HG21 ILE 11 1HG2 ILE 11 -6.250 0.721 4.651 96 HG22 ILE 11 2HG2 ILE 11 -7.104 -0.135 5.930 97 HG23 ILE 11 3HG2 ILE 11 -6.950 1.620 6.000 98 HD11 ILE 11 1HD1 ILE 11 -11.178 1.297 4.204 99 HD12 ILE 11 2HD1 ILE 11 -11.665 0.468 5.689 100 HD13 ILE 11 3HD1 ILE 11 -10.821 -0.413 4.409 101 H CYS 12 HN CYS 12 -6.762 4.046 3.133 102 HA CYS 12 HA CYS 12 -5.249 2.413 1.248 103 HB2 CYS 12 2HB CYS 12 -5.339 5.422 1.539 104 HB3 CYS 12 1HB CYS 12 -4.385 4.522 0.370 105 H TYR 13 HN TYR 13 -3.485 1.602 1.975 106 HA TYR 13 HA TYR 13 -2.037 3.023 4.086 107 HB2 TYR 13 2HB TYR 13 -1.399 0.804 5.012 108 HB3 TYR 13 1HB TYR 13 -3.126 1.114 5.088 109 HD1 TYR 13 1HD TYR 13 -0.505 -0.971 3.657 110 HD2 TYR 13 2HD TYR 13 -4.678 -0.153 3.641 111 HE1 TYR 13 1HE TYR 13 -0.923 -3.118 2.557 112 HE2 TYR 13 2HE TYR 13 -5.107 -2.289 2.543 113 HH TYR 13 HH TYR 13 -2.749 -4.719 2.298 114 H ARG 14 HN ARG 14 0.187 2.934 4.000 115 HA ARG 14 HA ARG 14 1.230 2.382 1.359 116 HB2 ARG 14 2HB ARG 14 1.821 4.527 2.337 117 HB3 ARG 14 1HB ARG 14 2.509 3.726 3.743 118 HG2 ARG 14 2HG ARG 14 4.244 2.738 2.358 119 HG3 ARG 14 1HG ARG 14 3.529 3.466 0.920 120 HD2 ARG 14 2HD ARG 14 4.588 4.994 3.288 121 HD3 ARG 14 1HD ARG 14 5.477 4.721 1.791 122 HE ARG 14 HE ARG 14 3.094 5.826 1.041 123 HH11 ARG 14 1HH1 ARG 14 5.810 6.813 3.080 124 HH12 ARG 14 2HH1 ARG 14 5.606 8.469 2.794 125 HH21 ARG 14 1HH2 ARG 14 2.811 8.129 0.635 126 HH22 ARG 14 2HH2 ARG 14 3.886 9.233 1.365 127 H LYS 15 HN LYS 15 2.264 0.684 0.873 128 HA LYS 15 HA LYS 15 3.264 -1.058 3.000 129 HB2 LYS 15 2HB LYS 15 1.119 -1.804 1.926 130 HB3 LYS 15 1HB LYS 15 1.963 -1.855 0.392 131 HG2 LYS 15 2HG LYS 15 3.451 -3.586 1.281 132 HG3 LYS 15 1HG LYS 15 2.574 -3.531 2.813 133 HD2 LYS 15 2HD LYS 15 0.502 -4.133 1.606 134 HD3 LYS 15 1HD LYS 15 1.441 -4.275 0.123 135 HE2 LYS 15 2HE LYS 15 2.795 -6.027 1.175 136 HE3 LYS 15 1HE LYS 15 1.820 -5.882 2.635 137 HZ1 LYS 15 1HZ LYS 15 0.828 -6.711 -0.034 138 HZ2 LYS 15 2HZ LYS 15 -0.111 -6.531 1.353 139 HZ3 LYS 15 3HZ LYS 15 1.075 -7.719 1.295 140 H CYS 16 HN CYS 16 5.201 -2.084 2.469 141 HA CYS 16 HA CYS 16 6.484 -1.170 -0.001 142 HB2 CYS 16 2HB CYS 16 7.890 -1.681 2.632 143 HB3 CYS 16 1HB CYS 16 8.549 -0.938 1.178 144 H ARG 17 HN ARG 17 7.261 -2.793 -1.222 145 HA ARG 17 HA ARG 17 7.089 -5.490 -0.155 146 HB2 ARG 17 2HB ARG 17 5.850 -5.031 -2.240 147 HB3 ARG 17 1HB ARG 17 7.331 -4.495 -3.006 148 HG2 ARG 17 2HG ARG 17 8.258 -6.724 -2.871 149 HG3 ARG 17 1HG ARG 17 6.835 -7.279 -1.995 150 HD2 ARG 17 2HD ARG 17 5.441 -6.820 -3.894 151 HD3 ARG 17 1HD ARG 17 6.811 -6.170 -4.794 152 HE ARG 17 HE ARG 17 7.285 -8.813 -3.882 153 HH11 ARG 17 1HH1 ARG 17 5.563 -7.060 -6.428 154 HH12 ARG 17 2HH1 ARG 17 5.689 -8.327 -7.564 155 HH21 ARG 17 1HH2 ARG 17 7.409 -10.552 -5.428 156 HH22 ARG 17 2HH2 ARG 17 6.726 -10.339 -6.977 157 HN1 NH2 18 1H ARG 17 8.960 -5.470 1.025 158 HN2 NH2 18 2H ARG 17 10.523 -5.442 0.295 Start of MODEL 17 1 H1 ARG 1 1HT ARG 1 12.279 -1.445 -2.337 2 H2 ARG 1 2HT ARG 1 13.918 -1.263 -2.024 3 H3 ARG 1 3HT ARG 1 13.230 -0.454 -3.312 4 HA ARG 1 HA ARG 1 12.484 -0.017 -0.504 5 HB2 ARG 1 2HB ARG 1 14.827 0.692 -0.857 6 HB3 ARG 1 1HB ARG 1 14.355 1.601 -2.272 7 HG2 ARG 1 2HG ARG 1 14.849 3.016 -0.326 8 HG3 ARG 1 1HG ARG 1 13.193 3.204 -0.895 9 HD2 ARG 1 2HD ARG 1 12.457 1.642 0.871 10 HD3 ARG 1 1HD ARG 1 14.116 1.593 1.481 11 HE ARG 1 HE ARG 1 13.872 4.022 1.813 12 HH11 ARG 1 1HH1 ARG 1 10.983 1.919 1.892 13 HH12 ARG 1 2HH1 ARG 1 10.061 3.030 2.767 14 HH21 ARG 1 1HH2 ARG 1 12.585 5.500 3.034 15 HH22 ARG 1 2HH2 ARG 1 10.974 5.116 3.430 16 H TRP 2 HN TRP 2 11.107 -0.232 -3.375 17 HA TRP 2 HA TRP 2 9.899 2.362 -3.428 18 HB2 TRP 2 2HB TRP 2 10.382 1.197 -5.550 19 HB3 TRP 2 1HB TRP 2 9.322 -0.121 -5.069 20 HD1 TRP 2 1HD TRP 2 8.985 3.713 -5.564 21 HE1 TRP 2 1HE TRP 2 6.688 4.175 -6.640 22 HE3 TRP 2 3HE TRP 2 7.229 -1.074 -5.797 23 HZ2 TRP 2 2HZ TRP 2 4.445 2.696 -7.491 24 HZ3 TRP 2 3HZ TRP 2 5.003 -1.463 -6.763 25 HH2 TRP 2 2HH TRP 2 3.646 0.393 -7.588 26 H CYS 3 HN CYS 3 7.924 2.867 -2.698 27 HA CYS 3 HA CYS 3 6.404 0.762 -1.334 28 HB2 CYS 3 2HB CYS 3 6.696 3.670 -0.542 29 HB3 CYS 3 1HB CYS 3 5.664 2.492 0.256 30 H PHE 4 HN PHE 4 4.311 0.634 -1.699 31 HA PHE 4 HA PHE 4 3.260 2.613 -3.525 32 HB2 PHE 4 2HB PHE 4 1.914 0.772 -4.581 33 HB3 PHE 4 1HB PHE 4 3.663 0.668 -4.780 34 HD1 PHE 4 1HD PHE 4 0.825 -0.751 -2.897 35 HD2 PHE 4 2HD PHE 4 4.844 -1.234 -4.160 36 HE1 PHE 4 1HE PHE 4 0.773 -3.078 -2.136 37 HE2 PHE 4 2HE PHE 4 4.809 -3.573 -3.394 38 HZ PHE 4 HZ PHE 4 2.775 -4.502 -2.384 39 H ARG 5 HN ARG 5 0.903 2.750 -3.506 40 HA ARG 5 HA ARG 5 -0.017 2.558 -0.713 41 HB2 ARG 5 2HB ARG 5 0.340 4.850 -1.709 42 HB3 ARG 5 1HB ARG 5 -0.933 4.470 -2.856 43 HG2 ARG 5 2HG ARG 5 -2.513 4.228 -0.987 44 HG3 ARG 5 1HG ARG 5 -1.232 4.695 0.134 45 HD2 ARG 5 2HD ARG 5 -0.971 6.813 -1.201 46 HD3 ARG 5 1HD ARG 5 -2.414 6.331 -2.093 47 HE ARG 5 HE ARG 5 -2.426 6.745 0.810 48 HH11 ARG 5 1HH1 ARG 5 -3.843 7.443 -2.373 49 HH12 ARG 5 2HH1 ARG 5 -5.130 8.358 -1.728 50 HH21 ARG 5 1HH2 ARG 5 -4.167 8.047 1.644 51 HH22 ARG 5 2HH2 ARG 5 -5.328 8.700 0.594 52 H VAL 6 HN VAL 6 -1.541 1.079 -0.477 53 HA VAL 6 HA VAL 6 -3.192 0.401 -2.817 54 HB VAL 6 HB VAL 6 -2.732 -1.278 -0.317 55 HG11 VAL 6 1HG1 VAL 6 -4.924 -1.674 -1.323 56 HG12 VAL 6 2HG1 VAL 6 -3.867 -3.070 -1.540 57 HG13 VAL 6 3HG1 VAL 6 -4.162 -1.969 -2.887 58 HG21 VAL 6 1HG2 VAL 6 -0.731 -1.198 -1.637 59 HG22 VAL 6 2HG2 VAL 6 -1.636 -1.611 -3.095 60 HG23 VAL 6 3HG2 VAL 6 -1.481 -2.787 -1.788 61 H CYS 7 HN CYS 7 -5.313 0.810 -2.690 62 HA CYS 7 HA CYS 7 -6.300 1.645 -0.078 63 HB2 CYS 7 2HB CYS 7 -7.248 2.412 -2.847 64 HB3 CYS 7 1HB CYS 7 -8.041 2.882 -1.347 65 H TYR 8 HN TYR 8 -7.748 0.480 0.817 66 HA TYR 8 HA TYR 8 -9.224 -1.485 -0.770 67 HB2 TYR 8 2HB TYR 8 -7.339 -2.553 0.443 68 HB3 TYR 8 1HB TYR 8 -7.952 -1.839 1.936 69 HD1 TYR 8 1HD TYR 8 -8.800 -4.269 -0.752 70 HD2 TYR 8 2HD TYR 8 -9.571 -2.939 3.210 71 HE1 TYR 8 1HE TYR 8 -10.196 -6.244 -0.367 72 HE2 TYR 8 2HE TYR 8 -10.961 -4.894 3.611 73 HH TYR 8 HH TYR 8 -11.014 -7.583 1.542 74 H ARG 9 HN ARG 9 -11.156 -0.511 -0.714 75 HA ARG 9 HA ARG 9 -13.190 0.180 0.034 76 HB2 ARG 9 2HB ARG 9 -12.294 -1.104 2.621 77 HB3 ARG 9 1HB ARG 9 -13.927 -0.553 2.305 78 HG2 ARG 9 2HG ARG 9 -12.487 -2.751 0.817 79 HG3 ARG 9 1HG ARG 9 -13.700 -2.985 2.070 80 HD2 ARG 9 2HD ARG 9 -14.849 -3.274 0.033 81 HD3 ARG 9 1HD ARG 9 -15.274 -1.660 0.576 82 HE ARG 9 HE ARG 9 -13.050 -1.870 -1.272 83 HH11 ARG 9 1HH1 ARG 9 -16.470 -1.091 -0.846 84 HH12 ARG 9 2HH1 ARG 9 -16.647 -0.394 -2.382 85 HH21 ARG 9 1HH2 ARG 9 -13.270 -0.877 -3.367 86 HH22 ARG 9 2HH2 ARG 9 -14.767 -0.257 -3.852 87 H GLY 10 HN GLY 10 -10.810 1.883 0.338 88 HA2 GLY 10 2HA GLY 10 -11.022 4.226 0.868 89 HA3 GLY 10 1HA GLY 10 -11.948 3.767 2.292 90 H ILE 11 HN ILE 11 -9.972 1.525 2.758 91 HA ILE 11 HA ILE 11 -8.190 3.053 4.409 92 HB ILE 11 HB ILE 11 -8.312 0.052 3.905 93 HG12 ILE 11 2HG1 ILE 11 -9.104 0.024 6.365 94 HG13 ILE 11 1HG1 ILE 11 -9.443 1.733 6.148 95 HG21 ILE 11 1HG2 ILE 11 -6.668 1.523 5.952 96 HG22 ILE 11 2HG2 ILE 11 -6.087 0.618 4.549 97 HG23 ILE 11 3HG2 ILE 11 -6.875 -0.230 5.872 98 HD11 ILE 11 1HD1 ILE 11 -11.036 1.182 4.384 99 HD12 ILE 11 2HD1 ILE 11 -11.438 0.328 5.882 100 HD13 ILE 11 3HD1 ILE 11 -10.633 -0.522 4.558 101 H CYS 12 HN CYS 12 -6.607 4.085 3.333 102 HA CYS 12 HA CYS 12 -5.201 2.582 1.268 103 HB2 CYS 12 2HB CYS 12 -5.107 5.547 1.867 104 HB3 CYS 12 1HB CYS 12 -4.249 4.720 0.569 105 H TYR 13 HN TYR 13 -3.453 1.620 1.849 106 HA TYR 13 HA TYR 13 -1.951 2.739 4.093 107 HB2 TYR 13 2HB TYR 13 -1.331 0.416 4.723 108 HB3 TYR 13 1HB TYR 13 -3.043 0.763 4.895 109 HD1 TYR 13 1HD TYR 13 -4.674 -0.323 3.459 110 HD2 TYR 13 2HD TYR 13 -0.524 -1.146 3.029 111 HE1 TYR 13 1HE TYR 13 -5.222 -2.258 2.125 112 HE2 TYR 13 2HE TYR 13 -1.052 -3.107 1.670 113 HH TYR 13 HH TYR 13 -2.849 -4.623 1.284 114 H ARG 14 HN ARG 14 0.247 2.292 4.171 115 HA ARG 14 HA ARG 14 1.531 2.356 1.572 116 HB2 ARG 14 2HB ARG 14 2.210 4.007 3.233 117 HB3 ARG 14 1HB ARG 14 2.514 2.732 4.395 118 HG2 ARG 14 2HG ARG 14 4.327 1.890 2.902 119 HG3 ARG 14 1HG ARG 14 4.087 3.319 1.895 120 HD2 ARG 14 2HD ARG 14 5.934 3.574 3.528 121 HD3 ARG 14 1HD ARG 14 4.654 4.770 3.741 122 HE ARG 14 HE ARG 14 3.800 3.229 5.533 123 HH11 ARG 14 1HH1 ARG 14 7.272 3.296 4.788 124 HH12 ARG 14 2HH1 ARG 14 7.752 2.901 6.362 125 HH21 ARG 14 1HH2 ARG 14 4.439 2.678 7.657 126 HH22 ARG 14 2HH2 ARG 14 6.097 2.547 8.061 127 H LYS 15 HN LYS 15 2.365 0.540 0.743 128 HA LYS 15 HA LYS 15 3.301 -1.513 2.592 129 HB2 LYS 15 2HB LYS 15 1.109 -2.114 1.491 130 HB3 LYS 15 1HB LYS 15 1.919 -2.003 -0.061 131 HG2 LYS 15 2HG LYS 15 3.331 -3.851 0.473 132 HG3 LYS 15 1HG LYS 15 2.716 -3.907 2.129 133 HD2 LYS 15 2HD LYS 15 0.464 -4.396 1.241 134 HD3 LYS 15 1HD LYS 15 1.135 -4.417 -0.392 135 HE2 LYS 15 2HE LYS 15 2.555 -6.288 0.202 136 HE3 LYS 15 1HE LYS 15 1.966 -6.236 1.863 137 HZ1 LYS 15 1HZ LYS 15 -0.240 -6.774 1.057 138 HZ2 LYS 15 2HZ LYS 15 0.867 -7.942 0.549 139 HZ3 LYS 15 3HZ LYS 15 0.313 -6.786 -0.537 140 H CYS 16 HN CYS 16 5.372 -2.136 2.137 141 HA CYS 16 HA CYS 16 6.554 -0.775 -0.173 142 HB2 CYS 16 2HB CYS 16 7.769 -1.316 2.525 143 HB3 CYS 16 1HB CYS 16 8.614 -0.600 1.159 144 H ARG 17 HN ARG 17 8.300 -1.689 -1.213 145 HA ARG 17 HA ARG 17 8.626 -4.575 -0.875 146 HB2 ARG 17 2HB ARG 17 9.219 -2.748 -3.205 147 HB3 ARG 17 1HB ARG 17 9.630 -4.456 -3.173 148 HG2 ARG 17 2HG ARG 17 6.863 -3.288 -3.052 149 HG3 ARG 17 1HG ARG 17 7.620 -3.996 -4.478 150 HD2 ARG 17 2HD ARG 17 6.982 -5.427 -1.897 151 HD3 ARG 17 1HD ARG 17 6.102 -5.575 -3.411 152 HE ARG 17 HE ARG 17 8.897 -6.231 -3.619 153 HH11 ARG 17 1HH1 ARG 17 5.646 -7.489 -3.072 154 HH12 ARG 17 2HH1 ARG 17 6.059 -9.107 -3.309 155 HH21 ARG 17 1HH2 ARG 17 9.487 -8.485 -3.944 156 HH22 ARG 17 2HH2 ARG 17 8.280 -9.679 -3.802 157 HN1 NH2 18 1H ARG 17 10.189 -4.774 0.574 158 HN2 NH2 18 2H ARG 17 11.697 -3.928 0.557 Start of MODEL 18 1 H1 ARG 1 1HT ARG 1 14.227 1.825 -1.284 2 H2 ARG 1 2HT ARG 1 14.011 0.921 -2.664 3 H3 ARG 1 3HT ARG 1 14.826 0.239 -1.345 4 HA ARG 1 HA ARG 1 12.580 -0.616 -1.535 5 HB2 ARG 1 2HB ARG 1 13.475 -0.381 0.737 6 HB3 ARG 1 1HB ARG 1 12.951 1.298 0.775 7 HG2 ARG 1 2HG ARG 1 10.600 0.513 0.519 8 HG3 ARG 1 1HG ARG 1 11.185 -1.140 0.685 9 HD2 ARG 1 2HD ARG 1 11.579 1.042 2.711 10 HD3 ARG 1 1HD ARG 1 10.297 -0.162 2.794 11 HE ARG 1 HE ARG 1 12.718 -1.489 2.563 12 HH11 ARG 1 1HH1 ARG 1 11.095 0.640 4.886 13 HH12 ARG 1 2HH1 ARG 1 11.810 -0.079 6.254 14 HH21 ARG 1 1HH2 ARG 1 13.699 -2.482 4.459 15 HH22 ARG 1 2HH2 ARG 1 13.329 -1.876 5.998 16 H TRP 2 HN TRP 2 11.103 0.007 -3.013 17 HA TRP 2 HA TRP 2 9.974 2.675 -2.695 18 HB2 TRP 2 2HB TRP 2 10.572 2.040 -5.019 19 HB3 TRP 2 1HB TRP 2 9.487 0.655 -4.924 20 HD1 TRP 2 1HD TRP 2 9.020 4.435 -4.187 21 HE1 TRP 2 1HE TRP 2 6.843 5.215 -5.270 22 HE3 TRP 2 3HE TRP 2 7.624 0.051 -6.422 23 HZ2 TRP 2 2HZ TRP 2 4.788 4.124 -6.894 24 HZ3 TRP 2 3HZ TRP 2 5.537 0.011 -7.722 25 HH2 TRP 2 2HH TRP 2 4.154 2.009 -7.950 26 H CYS 3 HN CYS 3 7.793 3.015 -2.256 27 HA CYS 3 HA CYS 3 6.323 0.651 -1.354 28 HB2 CYS 3 2HB CYS 3 6.250 3.427 -0.147 29 HB3 CYS 3 1HB CYS 3 5.394 2.006 0.429 30 H PHE 4 HN PHE 4 4.353 0.447 -2.063 31 HA PHE 4 HA PHE 4 3.261 2.612 -3.695 32 HB2 PHE 4 2HB PHE 4 2.129 0.863 -5.054 33 HB3 PHE 4 1HB PHE 4 3.880 0.657 -5.018 34 HD1 PHE 4 1HD PHE 4 0.679 -0.751 -3.894 35 HD2 PHE 4 2HD PHE 4 4.888 -1.279 -4.052 36 HE1 PHE 4 1HE PHE 4 0.400 -3.098 -3.245 37 HE2 PHE 4 2HE PHE 4 4.630 -3.633 -3.402 38 HZ PHE 4 HZ PHE 4 2.387 -4.554 -2.999 39 H ARG 5 HN ARG 5 0.786 2.601 -3.629 40 HA ARG 5 HA ARG 5 0.066 1.806 -0.902 41 HB2 ARG 5 2HB ARG 5 0.479 4.300 -1.325 42 HB3 ARG 5 1HB ARG 5 -1.031 4.270 -2.222 43 HG2 ARG 5 2HG ARG 5 -2.247 3.610 -0.255 44 HG3 ARG 5 1HG ARG 5 -0.748 3.456 0.662 45 HD2 ARG 5 2HD ARG 5 -0.324 5.876 0.186 46 HD3 ARG 5 1HD ARG 5 -1.955 5.963 -0.476 47 HE ARG 5 HE ARG 5 -1.989 4.889 2.149 48 HH11 ARG 5 1HH1 ARG 5 -1.507 7.971 0.470 49 HH12 ARG 5 2HH1 ARG 5 -2.078 8.917 1.766 50 HH21 ARG 5 1HH2 ARG 5 -2.752 6.181 3.921 51 HH22 ARG 5 2HH2 ARG 5 -2.778 7.874 3.784 52 H VAL 6 HN VAL 6 -1.686 0.689 -0.625 53 HA VAL 6 HA VAL 6 -3.418 0.191 -2.940 54 HB VAL 6 HB VAL 6 -2.719 -1.616 -0.586 55 HG11 VAL 6 1HG1 VAL 6 -4.476 -2.204 -2.972 56 HG12 VAL 6 2HG1 VAL 6 -5.050 -1.951 -1.324 57 HG13 VAL 6 3HG1 VAL 6 -4.036 -3.344 -1.701 58 HG21 VAL 6 1HG2 VAL 6 -2.051 -1.824 -3.507 59 HG22 VAL 6 2HG2 VAL 6 -1.667 -3.021 -2.269 60 HG23 VAL 6 3HG2 VAL 6 -0.939 -1.416 -2.204 61 H CYS 7 HN CYS 7 -5.573 0.504 -2.670 62 HA CYS 7 HA CYS 7 -6.374 1.465 -0.032 63 HB2 CYS 7 2HB CYS 7 -7.486 2.224 -2.731 64 HB3 CYS 7 1HB CYS 7 -8.036 2.821 -1.166 65 H TYR 8 HN TYR 8 -7.844 0.474 0.996 66 HA TYR 8 HA TYR 8 -9.599 -1.450 -0.361 67 HB2 TYR 8 2HB TYR 8 -7.785 -2.550 0.937 68 HB3 TYR 8 1HB TYR 8 -8.298 -1.622 2.346 69 HD1 TYR 8 1HD TYR 8 -10.149 -2.340 3.683 70 HD2 TYR 8 2HD TYR 8 -9.255 -4.344 0.053 71 HE1 TYR 8 1HE TYR 8 -11.662 -4.144 4.328 72 HE2 TYR 8 2HE TYR 8 -10.772 -6.163 0.671 73 HH TYR 8 HH TYR 8 -11.707 -7.128 2.750 74 H ARG 9 HN ARG 9 -11.461 -0.258 -0.337 75 HA ARG 9 HA ARG 9 -13.407 0.623 0.478 76 HB2 ARG 9 2HB ARG 9 -12.399 -0.454 3.113 77 HB3 ARG 9 1HB ARG 9 -14.014 0.173 2.850 78 HG2 ARG 9 2HG ARG 9 -14.348 -1.619 1.150 79 HG3 ARG 9 1HG ARG 9 -12.778 -2.265 1.611 80 HD2 ARG 9 2HD ARG 9 -14.635 -3.407 2.772 81 HD3 ARG 9 1HD ARG 9 -13.515 -2.612 3.880 82 HE ARG 9 HE ARG 9 -15.649 -0.895 3.207 83 HH11 ARG 9 1HH1 ARG 9 -14.953 -3.729 5.212 84 HH12 ARG 9 2HH1 ARG 9 -16.118 -3.363 6.396 85 HH21 ARG 9 1HH2 ARG 9 -17.261 -0.376 4.856 86 HH22 ARG 9 2HH2 ARG 9 -17.462 -1.420 6.173 87 H GLY 10 HN GLY 10 -10.846 2.204 0.566 88 HA2 GLY 10 2HA GLY 10 -10.891 4.586 0.913 89 HA3 GLY 10 1HA GLY 10 -11.818 4.306 2.385 90 H ILE 11 HN ILE 11 -9.968 1.939 2.889 91 HA ILE 11 HA ILE 11 -8.028 3.440 4.380 92 HB ILE 11 HB ILE 11 -8.401 0.423 4.169 93 HG12 ILE 11 2HG1 ILE 11 -9.180 0.644 6.598 94 HG13 ILE 11 1HG1 ILE 11 -9.340 2.368 6.297 95 HG21 ILE 11 1HG2 ILE 11 -6.125 0.973 4.742 96 HG22 ILE 11 2HG2 ILE 11 -6.942 0.234 6.115 97 HG23 ILE 11 3HG2 ILE 11 -6.672 1.980 6.083 98 HD11 ILE 11 1HD1 ILE 11 -11.025 1.897 4.599 99 HD12 ILE 11 2HD1 ILE 11 -11.476 1.167 6.147 100 HD13 ILE 11 3HD1 ILE 11 -10.794 0.172 4.852 101 H CYS 12 HN CYS 12 -6.489 4.230 3.144 102 HA CYS 12 HA CYS 12 -5.272 2.494 1.148 103 HB2 CYS 12 2HB CYS 12 -4.919 5.459 1.630 104 HB3 CYS 12 1HB CYS 12 -4.120 4.509 0.380 105 H TYR 13 HN TYR 13 -3.667 1.365 1.793 106 HA TYR 13 HA TYR 13 -1.906 2.467 3.851 107 HB2 TYR 13 2HB TYR 13 -1.525 0.104 4.613 108 HB3 TYR 13 1HB TYR 13 -3.156 0.692 4.883 109 HD1 TYR 13 1HD TYR 13 -1.059 -1.619 2.970 110 HD2 TYR 13 2HD TYR 13 -5.025 -0.286 3.689 111 HE1 TYR 13 1HE TYR 13 -1.918 -3.597 1.854 112 HE2 TYR 13 2HE TYR 13 -5.910 -2.251 2.571 113 HH TYR 13 HH TYR 13 -3.934 -4.929 1.854 114 H ARG 14 HN ARG 14 0.291 1.980 3.665 115 HA ARG 14 HA ARG 14 1.028 1.646 0.887 116 HB2 ARG 14 2HB ARG 14 3.108 2.686 1.468 117 HB3 ARG 14 1HB ARG 14 1.785 3.654 2.093 118 HG2 ARG 14 2HG ARG 14 2.193 2.551 4.323 119 HG3 ARG 14 1HG ARG 14 3.659 1.866 3.622 120 HD2 ARG 14 2HD ARG 14 2.989 4.774 4.044 121 HD3 ARG 14 1HD ARG 14 4.267 3.844 4.811 122 HE ARG 14 HE ARG 14 4.227 4.535 1.947 123 HH11 ARG 14 1HH1 ARG 14 6.063 3.959 4.917 124 HH12 ARG 14 2HH1 ARG 14 7.519 4.574 4.289 125 HH21 ARG 14 1HH2 ARG 14 6.219 5.426 1.110 126 HH22 ARG 14 2HH2 ARG 14 7.611 5.433 2.084 127 H LYS 15 HN LYS 15 2.293 0.099 0.141 128 HA LYS 15 HA LYS 15 3.215 -1.943 2.022 129 HB2 LYS 15 2HB LYS 15 2.324 -2.322 -0.848 130 HB3 LYS 15 1HB LYS 15 2.899 -3.590 0.229 131 HG2 LYS 15 2HG LYS 15 0.992 -3.155 1.725 132 HG3 LYS 15 1HG LYS 15 0.406 -1.941 0.597 133 HD2 LYS 15 2HD LYS 15 -0.824 -3.977 0.228 134 HD3 LYS 15 1HD LYS 15 0.255 -3.716 -1.134 135 HE2 LYS 15 2HE LYS 15 1.792 -5.355 -0.330 136 HE3 LYS 15 1HE LYS 15 0.919 -5.502 1.195 137 HZ1 LYS 15 1HZ LYS 15 0.392 -7.325 -0.326 138 HZ2 LYS 15 2HZ LYS 15 -0.172 -6.222 -1.471 139 HZ3 LYS 15 3HZ LYS 15 -0.960 -6.377 -0.009 140 H CYS 16 HN CYS 16 5.341 -2.445 1.869 141 HA CYS 16 HA CYS 16 6.846 -0.821 -0.042 142 HB2 CYS 16 2HB CYS 16 7.506 -1.588 2.790 143 HB3 CYS 16 1HB CYS 16 8.619 -0.788 1.682 144 H ARG 17 HN ARG 17 8.568 -1.643 -1.062 145 HA ARG 17 HA ARG 17 9.265 -4.443 -0.562 146 HB2 ARG 17 2HB ARG 17 9.109 -3.082 -3.259 147 HB3 ARG 17 1HB ARG 17 9.641 -4.733 -2.981 148 HG2 ARG 17 2HG ARG 17 6.862 -3.638 -2.567 149 HG3 ARG 17 1HG ARG 17 7.391 -4.725 -3.854 150 HD2 ARG 17 2HD ARG 17 7.916 -6.433 -2.186 151 HD3 ARG 17 1HD ARG 17 7.406 -5.339 -0.904 152 HE ARG 17 HE ARG 17 5.584 -6.243 -3.008 153 HH11 ARG 17 1HH1 ARG 17 6.261 -5.651 0.439 154 HH12 ARG 17 2HH1 ARG 17 4.809 -6.327 0.993 155 HH21 ARG 17 1HH2 ARG 17 3.571 -7.174 -2.228 156 HH22 ARG 17 2HH2 ARG 17 3.254 -7.242 -0.561 157 HN1 NH2 18 1H ARG 17 11.056 -4.031 0.524 158 HN2 NH2 18 2H ARG 17 12.378 -3.064 -0.021 Start of MODEL 19 1 H1 ARG 1 1HT ARG 1 14.251 1.734 -1.370 2 H2 ARG 1 2HT ARG 1 12.773 2.494 -1.002 3 H3 ARG 1 3HT ARG 1 13.501 2.775 -2.467 4 HA ARG 1 HA ARG 1 13.128 0.529 -3.164 5 HB2 ARG 1 2HB ARG 1 11.711 0.299 -0.485 6 HB3 ARG 1 1HB ARG 1 11.620 -0.881 -1.775 7 HG2 ARG 1 2HG ARG 1 14.142 -0.132 -0.313 8 HG3 ARG 1 1HG ARG 1 13.126 -1.526 0.042 9 HD2 ARG 1 2HD ARG 1 14.479 -1.010 -2.608 10 HD3 ARG 1 1HD ARG 1 15.084 -2.102 -1.367 11 HE ARG 1 HE ARG 1 12.664 -3.099 -1.739 12 HH11 ARG 1 1HH1 ARG 1 14.991 -2.065 -4.170 13 HH12 ARG 1 2HH1 ARG 1 14.522 -3.221 -5.315 14 HH21 ARG 1 1HH2 ARG 1 12.011 -4.679 -3.305 15 HH22 ARG 1 2HH2 ARG 1 12.794 -4.742 -4.823 16 H TRP 2 HN TRP 2 11.028 0.018 -4.124 17 HA TRP 2 HA TRP 2 9.450 2.379 -4.217 18 HB2 TRP 2 2HB TRP 2 8.123 1.241 -5.973 19 HB3 TRP 2 1HB TRP 2 9.841 1.219 -6.319 20 HD1 TRP 2 1HD TRP 2 11.049 -1.286 -5.609 21 HE1 TRP 2 1HE TRP 2 10.109 -3.637 -6.136 22 HE3 TRP 2 3HE TRP 2 6.144 -0.063 -6.319 23 HZ2 TRP 2 2HZ TRP 2 7.623 -4.795 -6.770 24 HZ3 TRP 2 3HZ TRP 2 4.551 -1.849 -6.889 25 HH2 TRP 2 2HH TRP 2 5.281 -4.165 -7.107 26 H CYS 3 HN CYS 3 8.130 2.821 -2.734 27 HA CYS 3 HA CYS 3 6.615 0.720 -1.378 28 HB2 CYS 3 2HB CYS 3 7.026 3.622 -0.611 29 HB3 CYS 3 1HB CYS 3 6.239 2.396 0.368 30 H PHE 4 HN PHE 4 4.444 0.637 -1.607 31 HA PHE 4 HA PHE 4 3.308 2.691 -3.310 32 HB2 PHE 4 2HB PHE 4 2.011 0.879 -4.453 33 HB3 PHE 4 1HB PHE 4 3.755 0.827 -4.698 34 HD1 PHE 4 1HD PHE 4 5.069 -1.022 -3.923 35 HD2 PHE 4 2HD PHE 4 0.914 -0.813 -3.075 36 HE1 PHE 4 1HE PHE 4 5.101 -3.378 -3.232 37 HE2 PHE 4 2HE PHE 4 0.924 -3.145 -2.369 38 HZ PHE 4 HZ PHE 4 3.028 -4.455 -2.449 39 H ARG 5 HN ARG 5 1.009 2.810 -3.250 40 HA ARG 5 HA ARG 5 0.019 2.504 -0.510 41 HB2 ARG 5 2HB ARG 5 0.232 4.793 -1.318 42 HB3 ARG 5 1HB ARG 5 -0.713 4.397 -2.739 43 HG2 ARG 5 2HG ARG 5 -2.684 4.078 -1.374 44 HG3 ARG 5 1HG ARG 5 -1.738 4.413 0.083 45 HD2 ARG 5 2HD ARG 5 -1.233 6.644 -0.720 46 HD3 ARG 5 1HD ARG 5 -2.074 6.317 -2.228 47 HE ARG 5 HE ARG 5 -4.128 6.241 -1.010 48 HH11 ARG 5 1HH1 ARG 5 -1.373 7.664 0.744 49 HH12 ARG 5 2HH1 ARG 5 -2.341 8.543 1.815 50 HH21 ARG 5 1HH2 ARG 5 -5.443 7.513 0.457 51 HH22 ARG 5 2HH2 ARG 5 -4.695 8.463 1.655 52 H VAL 6 HN VAL 6 -1.315 0.827 -0.307 53 HA VAL 6 HA VAL 6 -2.986 0.051 -2.585 54 HB VAL 6 HB VAL 6 -2.380 -1.489 -0.024 55 HG11 VAL 6 1HG1 VAL 6 -3.885 -2.346 -2.496 56 HG12 VAL 6 2HG1 VAL 6 -4.598 -2.022 -0.916 57 HG13 VAL 6 3HG1 VAL 6 -3.484 -3.377 -1.121 58 HG21 VAL 6 1HG2 VAL 6 -1.434 -1.928 -2.838 59 HG22 VAL 6 2HG2 VAL 6 -1.126 -2.984 -1.458 60 HG23 VAL 6 3HG2 VAL 6 -0.466 -1.349 -1.482 61 H CYS 7 HN CYS 7 -5.119 0.466 -2.531 62 HA CYS 7 HA CYS 7 -6.205 1.417 0.014 63 HB2 CYS 7 2HB CYS 7 -6.933 2.263 -2.787 64 HB3 CYS 7 1HB CYS 7 -7.769 2.778 -1.328 65 H TYR 8 HN TYR 8 -7.835 0.410 0.831 66 HA TYR 8 HA TYR 8 -9.483 -1.305 -0.881 67 HB2 TYR 8 2HB TYR 8 -7.995 -2.694 0.490 68 HB3 TYR 8 1HB TYR 8 -8.549 -1.819 1.925 69 HD1 TYR 8 1HD TYR 8 -9.730 -4.068 -0.814 70 HD2 TYR 8 2HD TYR 8 -10.478 -2.557 3.089 71 HE1 TYR 8 1HE TYR 8 -11.570 -5.663 -0.559 72 HE2 TYR 8 2HE TYR 8 -12.321 -4.140 3.361 73 HH TYR 8 HH TYR 8 -13.791 -5.530 2.131 74 H ARG 9 HN ARG 9 -11.236 -0.063 -1.032 75 HA ARG 9 HA ARG 9 -13.175 0.949 -0.521 76 HB2 ARG 9 2HB ARG 9 -12.862 -0.718 1.972 77 HB3 ARG 9 1HB ARG 9 -14.331 0.158 1.576 78 HG2 ARG 9 2HG ARG 9 -13.077 -2.020 -0.093 79 HG3 ARG 9 1HG ARG 9 -14.489 -2.207 0.951 80 HD2 ARG 9 2HD ARG 9 -15.697 -0.556 -0.397 81 HD3 ARG 9 1HD ARG 9 -14.288 -0.354 -1.428 82 HE ARG 9 HE ARG 9 -15.020 -3.043 -1.379 83 HH11 ARG 9 1HH1 ARG 9 -16.185 0.084 -2.594 84 HH12 ARG 9 2HH1 ARG 9 -16.987 -0.563 -3.940 85 HH21 ARG 9 1HH2 ARG 9 -16.143 -3.944 -3.271 86 HH22 ARG 9 2HH2 ARG 9 -16.973 -2.890 -4.328 87 H GLY 10 HN GLY 10 -10.732 2.324 0.180 88 HA2 GLY 10 2HA GLY 10 -10.867 4.666 0.870 89 HA3 GLY 10 1HA GLY 10 -11.861 4.124 2.214 90 H ILE 11 HN ILE 11 -10.053 1.767 2.620 91 HA ILE 11 HA ILE 11 -8.236 3.159 4.368 92 HB ILE 11 HB ILE 11 -8.632 0.174 3.962 93 HG12 ILE 11 2HG1 ILE 11 -9.595 0.280 6.314 94 HG13 ILE 11 1HG1 ILE 11 -9.665 2.026 6.121 95 HG21 ILE 11 1HG2 ILE 11 -7.357 -0.088 6.074 96 HG22 ILE 11 2HG2 ILE 11 -6.946 1.628 5.987 97 HG23 ILE 11 3HG2 ILE 11 -6.413 0.523 4.719 98 HD11 ILE 11 1HD1 ILE 11 -11.215 1.757 4.281 99 HD12 ILE 11 2HD1 ILE 11 -11.818 0.906 5.711 100 HD13 ILE 11 3HD1 ILE 11 -11.053 0.011 4.390 101 H CYS 12 HN CYS 12 -6.477 3.908 3.460 102 HA CYS 12 HA CYS 12 -5.156 2.219 1.495 103 HB2 CYS 12 2HB CYS 12 -4.774 5.170 2.023 104 HB3 CYS 12 1HB CYS 12 -3.968 4.238 0.771 105 H TYR 13 HN TYR 13 -3.300 1.332 2.045 106 HA TYR 13 HA TYR 13 -1.805 2.484 4.265 107 HB2 TYR 13 2HB TYR 13 -1.177 0.143 4.956 108 HB3 TYR 13 1HB TYR 13 -2.865 0.547 5.219 109 HD1 TYR 13 1HD TYR 13 -4.615 -0.547 3.932 110 HD2 TYR 13 2HD TYR 13 -0.523 -1.517 3.273 111 HE1 TYR 13 1HE TYR 13 -5.302 -2.522 2.705 112 HE2 TYR 13 2HE TYR 13 -1.193 -3.516 2.030 113 HH TYR 13 HH TYR 13 -3.138 -5.024 1.834 114 H ARG 14 HN ARG 14 0.422 2.220 4.160 115 HA ARG 14 HA ARG 14 1.377 2.001 1.441 116 HB2 ARG 14 2HB ARG 14 2.149 3.940 2.642 117 HB3 ARG 14 1HB ARG 14 2.704 2.953 3.982 118 HG2 ARG 14 2HG ARG 14 4.483 2.029 2.629 119 HG3 ARG 14 1HG ARG 14 3.869 2.856 1.199 120 HD2 ARG 14 2HD ARG 14 4.856 4.246 3.692 121 HD3 ARG 14 1HD ARG 14 5.823 3.993 2.239 122 HE ARG 14 HE ARG 14 3.523 5.183 1.392 123 HH11 ARG 14 1HH1 ARG 14 6.140 6.116 3.589 124 HH12 ARG 14 2HH1 ARG 14 5.977 7.782 3.310 125 HH21 ARG 14 1HH2 ARG 14 3.308 7.482 0.998 126 HH22 ARG 14 2HH2 ARG 14 4.340 8.572 1.779 127 H LYS 15 HN LYS 15 2.081 0.207 0.697 128 HA LYS 15 HA LYS 15 3.231 -1.755 2.532 129 HB2 LYS 15 2HB LYS 15 1.067 -2.379 1.341 130 HB3 LYS 15 1HB LYS 15 1.954 -2.263 -0.170 131 HG2 LYS 15 2HG LYS 15 3.404 -4.059 0.495 132 HG3 LYS 15 1HG LYS 15 2.638 -4.129 2.084 133 HD2 LYS 15 2HD LYS 15 0.495 -4.698 0.965 134 HD3 LYS 15 1HD LYS 15 1.353 -4.742 -0.576 135 HE2 LYS 15 2HE LYS 15 1.105 -6.990 0.322 136 HE3 LYS 15 1HE LYS 15 2.803 -6.520 0.290 137 HZ1 LYS 15 1HZ LYS 15 2.628 -6.004 2.684 138 HZ2 LYS 15 2HZ LYS 15 2.248 -7.611 2.375 139 HZ3 LYS 15 3HZ LYS 15 1.030 -6.503 2.673 140 H CYS 16 HN CYS 16 5.313 -2.445 2.006 141 HA CYS 16 HA CYS 16 6.443 -1.416 -0.453 142 HB2 CYS 16 2HB CYS 16 6.585 0.413 1.239 143 HB3 CYS 16 1HB CYS 16 7.544 -0.659 2.250 144 H ARG 17 HN ARG 17 7.925 -2.749 -1.192 145 HA ARG 17 HA ARG 17 8.816 -4.846 0.612 146 HB2 ARG 17 2HB ARG 17 9.435 -6.114 -1.474 147 HB3 ARG 17 1HB ARG 17 7.721 -5.811 -1.278 148 HG2 ARG 17 2HG ARG 17 7.801 -4.076 -2.953 149 HG3 ARG 17 1HG ARG 17 9.557 -4.234 -3.069 150 HD2 ARG 17 2HD ARG 17 7.549 -6.393 -3.716 151 HD3 ARG 17 1HD ARG 17 8.420 -5.411 -4.895 152 HE ARG 17 HE ARG 17 10.222 -6.704 -3.137 153 HH11 ARG 17 1HH1 ARG 17 8.134 -7.422 -5.912 154 HH12 ARG 17 2HH1 ARG 17 9.124 -8.683 -6.481 155 HH21 ARG 17 1HH2 ARG 17 11.544 -8.441 -3.916 156 HH22 ARG 17 2HH2 ARG 17 11.092 -9.277 -5.336 157 HN1 NH2 18 1H ARG 17 10.292 -3.411 1.559 158 HN2 NH2 18 2H ARG 17 11.824 -3.101 0.827 Start of MODEL 20 1 H1 ARG 1 1HT ARG 1 14.037 0.615 -0.779 2 H2 ARG 1 2HT ARG 1 13.327 0.483 -2.287 3 H3 ARG 1 3HT ARG 1 12.438 0.120 -0.895 4 HA ARG 1 HA ARG 1 12.537 2.359 -0.141 5 HB2 ARG 1 2HB ARG 1 13.460 4.125 -1.481 6 HB3 ARG 1 1HB ARG 1 14.707 2.900 -1.306 7 HG2 ARG 1 2HG ARG 1 14.199 2.079 -3.569 8 HG3 ARG 1 1HG ARG 1 12.949 3.306 -3.716 9 HD2 ARG 1 2HD ARG 1 14.906 4.072 -4.847 10 HD3 ARG 1 1HD ARG 1 14.679 5.046 -3.396 11 HE ARG 1 HE ARG 1 16.410 2.862 -2.885 12 HH11 ARG 1 1HH1 ARG 1 16.350 6.088 -4.331 13 HH12 ARG 1 2HH1 ARG 1 18.035 6.303 -4.264 14 HH21 ARG 1 1HH2 ARG 1 18.733 3.164 -2.770 15 HH22 ARG 1 2HH2 ARG 1 19.407 4.609 -3.352 16 H TRP 2 HN TRP 2 11.332 0.403 -2.562 17 HA TRP 2 HA TRP 2 9.591 2.458 -3.602 18 HB2 TRP 2 2HB TRP 2 10.195 -0.322 -4.599 19 HB3 TRP 2 1HB TRP 2 8.981 0.752 -5.294 20 HD1 TRP 2 1HD TRP 2 9.907 3.038 -6.435 21 HE1 TRP 2 1HE TRP 2 12.116 3.511 -7.627 22 HE3 TRP 2 3HE TRP 2 12.633 -0.905 -4.671 23 HZ2 TRP 2 2HZ TRP 2 14.686 2.364 -7.808 24 HZ3 TRP 2 3HZ TRP 2 14.963 -1.142 -5.405 25 HH2 TRP 2 2HH TRP 2 15.965 0.461 -6.944 26 H CYS 3 HN CYS 3 7.661 2.615 -2.915 27 HA CYS 3 HA CYS 3 6.365 0.316 -1.689 28 HB2 CYS 3 2HB CYS 3 6.333 3.150 -0.644 29 HB3 CYS 3 1HB CYS 3 5.523 1.757 0.058 30 H PHE 4 HN PHE 4 4.173 0.319 -1.929 31 HA PHE 4 HA PHE 4 3.134 2.329 -3.733 32 HB2 PHE 4 2HB PHE 4 1.799 0.516 -4.839 33 HB3 PHE 4 1HB PHE 4 3.544 0.390 -5.053 34 HD1 PHE 4 1HD PHE 4 0.626 -1.062 -3.394 35 HD2 PHE 4 2HD PHE 4 4.760 -1.488 -4.236 36 HE1 PHE 4 1HE PHE 4 0.518 -3.368 -2.629 37 HE2 PHE 4 2HE PHE 4 4.671 -3.833 -3.469 38 HZ PHE 4 HZ PHE 4 2.558 -4.780 -2.670 39 H ARG 5 HN ARG 5 1.025 2.912 -3.397 40 HA ARG 5 HA ARG 5 0.143 2.268 -0.690 41 HB2 ARG 5 2HB ARG 5 0.642 4.642 -1.340 42 HB3 ARG 5 1HB ARG 5 -0.718 4.571 -2.443 43 HG2 ARG 5 2HG ARG 5 -2.211 4.171 -0.547 44 HG3 ARG 5 1HG ARG 5 -0.828 4.254 0.548 45 HD2 ARG 5 2HD ARG 5 -0.373 6.549 -0.325 46 HD3 ARG 5 1HD ARG 5 -1.886 6.440 -1.224 47 HE ARG 5 HE ARG 5 -1.875 6.088 1.671 48 HH11 ARG 5 1HH1 ARG 5 -2.973 7.958 -1.150 49 HH12 ARG 5 2HH1 ARG 5 -3.966 8.999 -0.251 50 HH21 ARG 5 1HH2 ARG 5 -3.233 7.522 2.910 51 HH22 ARG 5 2HH2 ARG 5 -4.135 8.732 2.132 52 H VAL 6 HN VAL 6 -1.407 0.872 -0.532 53 HA VAL 6 HA VAL 6 -3.132 0.331 -2.835 54 HB VAL 6 HB VAL 6 -2.636 -1.360 -0.348 55 HG11 VAL 6 1HG1 VAL 6 -3.883 -3.123 -1.504 56 HG12 VAL 6 2HG1 VAL 6 -4.229 -2.016 -2.831 57 HG13 VAL 6 3HG1 VAL 6 -4.898 -1.708 -1.230 58 HG21 VAL 6 1HG2 VAL 6 -0.727 -1.314 -1.792 59 HG22 VAL 6 2HG2 VAL 6 -1.731 -1.720 -3.184 60 HG23 VAL 6 3HG2 VAL 6 -1.517 -2.887 -1.875 61 H CYS 7 HN CYS 7 -5.243 0.839 -2.713 62 HA CYS 7 HA CYS 7 -6.236 1.659 -0.094 63 HB2 CYS 7 2HB CYS 7 -7.156 2.440 -2.866 64 HB3 CYS 7 1HB CYS 7 -7.960 2.911 -1.371 65 H TYR 8 HN TYR 8 -7.710 0.522 0.809 66 HA TYR 8 HA TYR 8 -9.298 -1.343 -0.785 67 HB2 TYR 8 2HB TYR 8 -7.389 -2.507 0.321 68 HB3 TYR 8 1HB TYR 8 -7.966 -1.875 1.863 69 HD1 TYR 8 1HD TYR 8 -9.799 -2.878 3.000 70 HD2 TYR 8 2HD TYR 8 -8.692 -4.230 -0.871 71 HE1 TYR 8 1HE TYR 8 -11.228 -4.812 3.293 72 HE2 TYR 8 2HE TYR 8 -10.129 -6.194 -0.603 73 HH TYR 8 HH TYR 8 -12.413 -6.445 1.865 74 H ARG 9 HN ARG 9 -11.206 -0.344 -0.579 75 HA ARG 9 HA ARG 9 -13.202 0.368 0.301 76 HB2 ARG 9 2HB ARG 9 -12.156 -0.827 2.881 77 HB3 ARG 9 1HB ARG 9 -13.806 -0.301 2.609 78 HG2 ARG 9 2HG ARG 9 -12.404 -2.553 1.180 79 HG3 ARG 9 1HG ARG 9 -13.598 -2.711 2.469 80 HD2 ARG 9 2HD ARG 9 -14.050 -1.529 -0.266 81 HD3 ARG 9 1HD ARG 9 -14.628 -3.086 0.320 82 HE ARG 9 HE ARG 9 -15.564 -1.180 2.074 83 HH11 ARG 9 1HH1 ARG 9 -16.047 -2.069 -1.317 84 HH12 ARG 9 2HH1 ARG 9 -17.595 -1.398 -1.436 85 HH21 ARG 9 1HH2 ARG 9 -17.714 -0.191 1.890 86 HH22 ARG 9 2HH2 ARG 9 -18.530 -0.256 0.404 87 H GLY 10 HN GLY 10 -10.700 1.972 0.471 88 HA2 GLY 10 2HA GLY 10 -10.761 4.327 1.014 89 HA3 GLY 10 1HA GLY 10 -11.689 3.903 2.450 90 H ILE 11 HN ILE 11 -9.828 1.544 2.875 91 HA ILE 11 HA ILE 11 -7.949 2.981 4.484 92 HB ILE 11 HB ILE 11 -8.158 -0.015 3.981 93 HG12 ILE 11 2HG1 ILE 11 -8.935 -0.031 6.448 94 HG13 ILE 11 1HG1 ILE 11 -9.263 1.682 6.224 95 HG21 ILE 11 1HG2 ILE 11 -5.922 0.527 4.625 96 HG22 ILE 11 2HG2 ILE 11 -6.721 -0.302 5.958 97 HG23 ILE 11 3HG2 ILE 11 -6.494 1.448 6.016 98 HD11 ILE 11 1HD1 ILE 11 -10.481 -0.582 4.662 99 HD12 ILE 11 2HD1 ILE 11 -10.858 1.129 4.461 100 HD13 ILE 11 3HD1 ILE 11 -11.260 0.304 5.973 101 H CYS 12 HN CYS 12 -6.488 3.986 3.280 102 HA CYS 12 HA CYS 12 -5.076 2.452 1.240 103 HB2 CYS 12 2HB CYS 12 -4.892 5.414 1.858 104 HB3 CYS 12 1HB CYS 12 -4.117 4.547 0.533 105 H TYR 13 HN TYR 13 -3.194 1.648 1.703 106 HA TYR 13 HA TYR 13 -1.708 2.845 3.902 107 HB2 TYR 13 2HB TYR 13 -1.062 0.575 4.681 108 HB3 TYR 13 1HB TYR 13 -2.781 0.907 4.849 109 HD1 TYR 13 1HD TYR 13 -0.263 -1.140 3.191 110 HD2 TYR 13 2HD TYR 13 -4.409 -0.224 3.401 111 HE1 TYR 13 1HE TYR 13 -0.773 -3.192 1.976 112 HE2 TYR 13 2HE TYR 13 -4.941 -2.263 2.190 113 HH TYR 13 HH TYR 13 -2.566 -4.698 1.630 114 H ARG 14 HN ARG 14 0.498 2.576 3.803 115 HA ARG 14 HA ARG 14 1.470 2.320 1.084 116 HB2 ARG 14 2HB ARG 14 2.172 4.225 2.520 117 HB3 ARG 14 1HB ARG 14 2.942 3.081 3.607 118 HG2 ARG 14 2HG ARG 14 4.376 2.337 1.758 119 HG3 ARG 14 1HG ARG 14 3.669 3.587 0.736 120 HD2 ARG 14 2HD ARG 14 5.751 4.362 1.599 121 HD3 ARG 14 1HD ARG 14 4.459 5.280 2.378 122 HE ARG 14 HE ARG 14 4.846 3.385 4.171 123 HH11 ARG 14 1HH1 ARG 14 7.275 5.284 2.384 124 HH12 ARG 14 2HH1 ARG 14 8.437 5.140 3.618 125 HH21 ARG 14 1HH2 ARG 14 6.476 3.249 5.829 126 HH22 ARG 14 2HH2 ARG 14 7.992 4.002 5.568 127 H LYS 15 HN LYS 15 2.002 0.345 0.432 128 HA LYS 15 HA LYS 15 3.070 -1.525 2.408 129 HB2 LYS 15 2HB LYS 15 0.967 -2.107 1.101 130 HB3 LYS 15 1HB LYS 15 1.965 -2.129 -0.342 131 HG2 LYS 15 2HG LYS 15 3.279 -3.953 0.563 132 HG3 LYS 15 1HG LYS 15 2.342 -3.907 2.060 133 HD2 LYS 15 2HD LYS 15 0.292 -4.365 0.677 134 HD3 LYS 15 1HD LYS 15 1.362 -4.608 -0.698 135 HE2 LYS 15 2HE LYS 15 1.470 -6.171 1.876 136 HE3 LYS 15 1HE LYS 15 0.688 -6.723 0.403 137 HZ1 LYS 15 1HZ LYS 15 2.877 -7.662 0.669 138 HZ2 LYS 15 2HZ LYS 15 3.588 -6.145 0.708 139 HZ3 LYS 15 3HZ LYS 15 2.851 -6.694 -0.696 140 H CYS 16 HN CYS 16 5.145 -2.199 2.126 141 HA CYS 16 HA CYS 16 6.552 -1.091 -0.200 142 HB2 CYS 16 2HB CYS 16 7.579 -1.597 2.596 143 HB3 CYS 16 1HB CYS 16 8.544 -1.012 1.244 144 H ARG 17 HN ARG 17 7.946 -2.374 -1.301 145 HA ARG 17 HA ARG 17 7.607 -5.208 -0.939 146 HB2 ARG 17 2HB ARG 17 9.172 -3.621 -2.970 147 HB3 ARG 17 1HB ARG 17 9.064 -5.376 -2.991 148 HG2 ARG 17 2HG ARG 17 6.633 -5.194 -3.299 149 HG3 ARG 17 1HG ARG 17 6.783 -3.435 -3.306 150 HD2 ARG 17 2HD ARG 17 6.640 -4.297 -5.593 151 HD3 ARG 17 1HD ARG 17 8.210 -3.559 -5.281 152 HE ARG 17 HE ARG 17 8.559 -6.204 -4.742 153 HH11 ARG 17 1HH1 ARG 17 7.380 -4.461 -7.589 154 HH12 ARG 17 2HH1 ARG 17 8.068 -5.514 -8.723 155 HH21 ARG 17 1HH2 ARG 17 9.550 -7.687 -6.346 156 HH22 ARG 17 2HH2 ARG 17 9.302 -7.381 -7.997 157 HN1 NH2 18 1H ARG 17 10.596 -3.439 -1.581 158 HN2 NH2 18 2H ARG 17 11.521 -4.233 -0.356
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