NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
622501 | 5vr1 | 30291 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H ASP 1 1.806 0.000 0.856 2 HA ASP 1 HA ASP 1 1.392 0.010 -2.063 3 HB2 ASP 1 HB2 ASP 1 3.651 1.147 -2.161 4 HB3 ASP 1 HB3 ASP 1 2.347 2.113 -1.475 5 H CYS 2 H CYS 2 1.325 -2.414 -1.305 6 HA CYS 2 HA CYS 2 3.776 -3.584 -2.212 7 HB2 CYS 2 HB2 CYS 2 3.791 -5.102 -0.055 8 HB3 CYS 2 HB3 CYS 2 4.639 -3.559 -0.075 9 H CYS 3 H CYS 3 3.514 -6.160 -1.659 10 HA CYS 3 HA CYS 3 0.740 -6.873 -2.339 11 HB2 CYS 3 HB2 CYS 3 3.226 -7.395 -3.837 12 HB3 CYS 3 HB3 CYS 3 2.174 -8.793 -3.638 13 HA HYP 4 HA HYP 4 2.207 -8.007 1.437 14 HB2 HYP 4 HB2 HYP 4 0.416 -7.707 2.887 15 HB3 HYP 4 HB3 HYP 4 -0.618 -8.840 2.006 16 HG HYP 4 HG HYP 4 -1.486 -6.825 1.191 17 HD22 HYP 4 HD2 HYP 4 -0.846 -7.461 -0.950 18 HD23 HYP 4 HD3 HYP 4 0.469 -6.298 -0.770 19 HD1 HYP 4 HOD HYP 4 0.917 -5.547 0.932 20 H CYS 5 H CYS 5 3.490 -9.718 1.661 21 HA CYS 5 HA CYS 5 2.386 -12.421 1.566 22 HB2 CYS 5 HB2 CYS 5 5.035 -11.215 1.184 23 HB3 CYS 5 HB3 CYS 5 5.062 -12.707 2.119 24 HA HYP 6 HA HYP 6 1.397 -13.424 4.989 25 HB2 HYP 6 HB2 HYP 6 1.588 -15.720 5.296 26 HB3 HYP 6 HB3 HYP 6 3.351 -15.659 5.418 27 HG HYP 6 HG HYP 6 3.154 -16.395 3.206 28 HD22 HYP 6 HD2 HYP 6 4.240 -14.464 2.508 29 HD23 HYP 6 HD3 HYP 6 2.649 -13.905 1.987 30 HD1 HYP 6 HOD HYP 6 1.045 -14.787 2.542 31 H ALA 7 H ALA 7 4.513 -12.426 5.472 32 HA ALA 7 HA ALA 7 4.636 -12.877 8.332 33 HB1 ALA 7 HB1 ALA 7 6.796 -12.062 8.257 34 HB2 ALA 7 HB2 ALA 7 6.615 -12.771 6.653 35 HB3 ALA 7 HB3 ALA 7 6.470 -11.027 6.867 36 H GLY 8 H GLY 8 4.151 -10.145 6.119 37 HA2 GLY 8 HA2 GLY 8 2.788 -8.283 6.526 38 HA3 GLY 8 HA3 GLY 8 2.706 -8.740 8.221 39 H ALA 9 H ALA 9 5.617 -9.006 8.459 40 HA ALA 9 HA ALA 9 6.198 -6.319 9.192 41 HB1 ALA 9 HB1 ALA 9 8.552 -7.347 9.541 42 HB2 ALA 9 HB2 ALA 9 7.218 -7.874 10.568 43 HB3 ALA 9 HB3 ALA 9 7.741 -8.880 9.218 44 H VAL 10 H VAL 10 8.374 -8.319 7.240 45 HA VAL 10 HA VAL 10 8.839 -5.983 5.512 46 HB VAL 10 HB VAL 10 10.800 -6.892 6.762 47 HG11 VAL 10 HG11 VAL 10 10.773 -9.221 4.879 48 HG12 VAL 10 HG12 VAL 10 11.678 -9.008 6.379 49 HG13 VAL 10 HG13 VAL 10 9.941 -9.308 6.431 50 HG21 VAL 10 HG21 VAL 10 11.731 -7.450 4.101 51 HG22 VAL 10 HG22 VAL 10 10.604 -6.094 4.084 52 HG23 VAL 10 HG23 VAL 10 12.031 -6.041 5.118 53 H ARG 11 H ARG 11 7.299 -8.945 5.558 54 HA ARG 11 HA ARG 11 7.836 -9.888 2.937 55 HB2 ARG 11 HB2 ARG 11 5.846 -10.475 5.062 56 HB3 ARG 11 HB3 ARG 11 5.418 -10.943 3.422 57 HG2 ARG 11 HG2 ARG 11 7.885 -11.796 4.924 58 HG3 ARG 11 HG3 ARG 11 6.458 -12.784 4.607 59 HD2 ARG 11 HD2 ARG 11 7.374 -11.701 2.140 60 HD3 ARG 11 HD3 ARG 11 8.751 -12.414 2.980 61 HE ARG 11 HE ARG 11 6.402 -14.085 2.900 62 HH11 ARG 11 HH11 ARG 11 9.353 -13.168 1.297 63 HH12 ARG 11 HH12 ARG 11 9.483 -14.649 0.408 64 HH21 ARG 11 HH21 ARG 11 6.562 -16.039 1.735 65 HH22 ARG 11 HH22 ARG 11 7.895 -16.281 0.657 66 H CYS 12 H CYS 12 6.159 -7.196 4.028 67 HA CYS 12 HA CYS 12 4.130 -7.126 1.991 68 HB2 CYS 12 HB2 CYS 12 4.128 -5.986 4.334 69 HB3 CYS 12 HB3 CYS 12 5.048 -4.717 3.531 70 H ARG 13 H ARG 13 5.572 -7.475 0.161 71 HA ARG 13 HA ARG 13 6.636 -4.927 -0.826 72 HB2 ARG 13 HB2 ARG 13 8.070 -7.585 -0.897 73 HB3 ARG 13 HB3 ARG 13 8.550 -6.190 -1.853 74 HG2 ARG 13 HG2 ARG 13 9.405 -5.082 -0.068 75 HG3 ARG 13 HG3 ARG 13 8.253 -5.793 1.065 76 HD2 ARG 13 HD2 ARG 13 10.452 -6.645 1.543 77 HD3 ARG 13 HD3 ARG 13 9.464 -7.944 0.876 78 HE ARG 13 HE ARG 13 10.752 -6.909 -1.288 79 HH11 ARG 13 HH11 ARG 13 11.773 -8.174 1.790 80 HH12 ARG 13 HH12 ARG 13 13.290 -8.760 1.193 81 HH21 ARG 13 HH21 ARG 13 12.746 -7.677 -2.086 82 HH22 ARG 13 HH22 ARG 13 13.843 -8.476 -1.012 83 H PHE 14 H PHE 14 6.570 -4.667 -3.079 84 HA PHE 14 HA PHE 14 4.397 -5.893 -4.379 85 HB2 PHE 14 HB2 PHE 14 5.452 -3.607 -4.854 86 HB3 PHE 14 HB3 PHE 14 6.651 -4.482 -5.800 87 HD1 PHE 14 HD1 PHE 14 6.052 -5.555 -7.886 88 HD2 PHE 14 HD2 PHE 14 3.171 -3.403 -5.608 89 HE1 PHE 14 HE1 PHE 14 4.542 -5.525 -9.829 90 HE2 PHE 14 HE2 PHE 14 1.657 -3.372 -7.547 91 HZ PHE 14 HZ PHE 14 2.341 -4.434 -9.661 92 H ALA 15 H ALA 15 7.782 -6.672 -4.240 93 HA ALA 15 HA ALA 15 8.030 -8.271 -6.520 94 HB1 ALA 15 HB1 ALA 15 9.754 -7.465 -4.653 95 HB2 ALA 15 HB2 ALA 15 9.484 -9.112 -4.083 96 HB3 ALA 15 HB3 ALA 15 10.076 -8.832 -5.721 97 H CYS 16 H CYS 16 6.713 -8.968 -3.341 98 HA CYS 16 HA CYS 16 6.635 -11.738 -3.405 99 HB2 CYS 16 HB2 CYS 16 6.030 -10.647 -1.384 100 HB3 CYS 16 HB3 CYS 16 4.760 -9.721 -2.177 101 H CYS 17 H CYS 17 4.531 -9.395 -4.958 102 HA CYS 17 HA CYS 17 2.456 -11.124 -5.715 103 HB2 CYS 17 HB2 CYS 17 3.294 -8.419 -6.311 104 HB3 CYS 17 HB3 CYS 17 2.701 -9.222 -7.761 105 HN1 NH2 18 H1 NH2 18 2.560 -12.869 -6.951 106 HN2 NH2 18 H2 NH2 18 3.579 -13.151 -8.292 Start of MODEL 2 1 H1 ASP 1 H ASP 1 3.376 1.818 -1.075 2 HA ASP 1 HA ASP 1 1.399 -0.118 -0.213 3 HB2 ASP 1 HB2 ASP 1 2.297 0.855 -2.925 4 HB3 ASP 1 HB3 ASP 1 1.135 -0.454 -2.725 5 H CYS 2 H CYS 2 1.396 -2.329 -1.054 6 HA CYS 2 HA CYS 2 3.832 -3.487 -2.019 7 HB2 CYS 2 HB2 CYS 2 3.833 -5.071 0.102 8 HB3 CYS 2 HB3 CYS 2 4.721 -3.551 0.101 9 H CYS 3 H CYS 3 3.556 -6.077 -1.537 10 HA CYS 3 HA CYS 3 0.773 -6.750 -2.220 11 HB2 CYS 3 HB2 CYS 3 3.287 -7.379 -3.687 12 HB3 CYS 3 HB3 CYS 3 2.047 -8.627 -3.629 13 HA HYP 4 HA HYP 4 2.277 -8.000 1.512 14 HB2 HYP 4 HB2 HYP 4 0.512 -7.711 2.995 15 HB3 HYP 4 HB3 HYP 4 -0.553 -8.802 2.099 16 HG HYP 4 HG HYP 4 -1.399 -6.753 1.351 17 HD22 HYP 4 HD2 HYP 4 -0.801 -7.341 -0.815 18 HD23 HYP 4 HD3 HYP 4 0.536 -6.205 -0.624 19 HD1 HYP 4 HOD HYP 4 1.020 -5.507 1.091 20 H CYS 5 H CYS 5 3.499 -9.711 1.864 21 HA CYS 5 HA CYS 5 2.347 -12.401 1.670 22 HB2 CYS 5 HB2 CYS 5 5.091 -11.279 1.408 23 HB3 CYS 5 HB3 CYS 5 4.944 -12.910 2.055 24 HA HYP 6 HA HYP 6 1.364 -13.318 5.126 25 HB2 HYP 6 HB2 HYP 6 1.377 -15.625 5.403 26 HB3 HYP 6 HB3 HYP 6 3.143 -15.710 5.461 27 HG HYP 6 HG HYP 6 2.805 -16.400 3.251 28 HD22 HYP 6 HD2 HYP 6 4.020 -14.556 2.531 29 HD23 HYP 6 HD3 HYP 6 2.463 -13.862 2.075 30 HD1 HYP 6 HOD HYP 6 0.813 -14.617 2.681 31 H ALA 7 H ALA 7 4.568 -12.585 5.503 32 HA ALA 7 HA ALA 7 4.812 -13.114 8.330 33 HB1 ALA 7 HB1 ALA 7 6.987 -12.354 8.164 34 HB2 ALA 7 HB2 ALA 7 6.694 -12.988 6.544 35 HB3 ALA 7 HB3 ALA 7 6.612 -11.251 6.839 36 H GLY 8 H GLY 8 4.286 -10.274 6.266 37 HA2 GLY 8 HA2 GLY 8 3.010 -8.392 6.825 38 HA3 GLY 8 HA3 GLY 8 2.993 -8.927 8.498 39 H ALA 9 H ALA 9 5.908 -9.291 8.570 40 HA ALA 9 HA ALA 9 6.611 -6.679 9.430 41 HB1 ALA 9 HB1 ALA 9 8.989 -7.895 9.381 42 HB2 ALA 9 HB2 ALA 9 7.792 -8.184 10.644 43 HB3 ALA 9 HB3 ALA 9 7.946 -9.315 9.300 44 H VAL 10 H VAL 10 8.599 -8.574 7.194 45 HA VAL 10 HA VAL 10 8.943 -6.139 5.572 46 HB VAL 10 HB VAL 10 10.987 -7.053 6.709 47 HG11 VAL 10 HG11 VAL 10 10.625 -9.314 4.745 48 HG12 VAL 10 HG12 VAL 10 12.027 -9.059 5.786 49 HG13 VAL 10 HG13 VAL 10 10.456 -9.429 6.497 50 HG21 VAL 10 HG21 VAL 10 10.948 -5.676 4.575 51 HG22 VAL 10 HG22 VAL 10 12.412 -6.608 4.885 52 HG23 VAL 10 HG23 VAL 10 11.228 -7.191 3.716 53 H ARG 11 H ARG 11 7.374 -9.031 5.565 54 HA ARG 11 HA ARG 11 7.865 -9.960 2.924 55 HB2 ARG 11 HB2 ARG 11 5.936 -10.557 5.090 56 HB3 ARG 11 HB3 ARG 11 5.412 -10.947 3.457 57 HG2 ARG 11 HG2 ARG 11 7.924 -11.936 4.791 58 HG3 ARG 11 HG3 ARG 11 6.445 -12.864 4.532 59 HD2 ARG 11 HD2 ARG 11 7.149 -11.806 2.031 60 HD3 ARG 11 HD3 ARG 11 8.647 -12.401 2.745 61 HE ARG 11 HE ARG 11 6.525 -13.970 1.711 62 HH11 ARG 11 HH11 ARG 11 8.896 -13.875 4.258 63 HH12 ARG 11 HH12 ARG 11 8.973 -15.598 4.428 64 HH21 ARG 11 HH21 ARG 11 6.618 -16.239 1.925 65 HH22 ARG 11 HH22 ARG 11 7.678 -16.941 3.099 66 H CYS 12 H CYS 12 6.291 -7.238 4.066 67 HA CYS 12 HA CYS 12 4.215 -7.098 2.076 68 HB2 CYS 12 HB2 CYS 12 4.338 -5.972 4.444 69 HB3 CYS 12 HB3 CYS 12 5.205 -4.705 3.582 70 H ARG 13 H ARG 13 5.568 -7.447 0.196 71 HA ARG 13 HA ARG 13 6.711 -4.925 -0.770 72 HB2 ARG 13 HB2 ARG 13 8.023 -7.636 -1.046 73 HB3 ARG 13 HB3 ARG 13 8.571 -6.162 -1.834 74 HG2 ARG 13 HG2 ARG 13 9.455 -5.302 0.073 75 HG3 ARG 13 HG3 ARG 13 8.276 -6.104 1.113 76 HD2 ARG 13 HD2 ARG 13 10.436 -7.091 1.482 77 HD3 ARG 13 HD3 ARG 13 9.409 -8.260 0.653 78 HE ARG 13 HE ARG 13 10.739 -7.019 -1.364 79 HH11 ARG 13 HH11 ARG 13 11.725 -8.640 1.554 80 HH12 ARG 13 HH12 ARG 13 13.234 -9.184 0.897 81 HH21 ARG 13 HH21 ARG 13 12.721 -7.729 -2.241 82 HH22 ARG 13 HH22 ARG 13 13.800 -8.664 -1.261 83 H PHE 14 H PHE 14 6.522 -4.574 -2.985 84 HA PHE 14 HA PHE 14 4.293 -5.763 -4.243 85 HB2 PHE 14 HB2 PHE 14 4.926 -3.486 -4.766 86 HB3 PHE 14 HB3 PHE 14 6.493 -4.019 -5.365 87 HD1 PHE 14 HD1 PHE 14 2.848 -4.299 -5.997 88 HD2 PHE 14 HD2 PHE 14 6.778 -4.564 -7.608 89 HE1 PHE 14 HE1 PHE 14 1.902 -4.516 -8.258 90 HE2 PHE 14 HE2 PHE 14 5.839 -4.780 -9.872 91 HZ PHE 14 HZ PHE 14 3.399 -4.756 -10.199 92 H ALA 15 H ALA 15 7.676 -6.510 -4.250 93 HA ALA 15 HA ALA 15 7.909 -7.934 -6.639 94 HB1 ALA 15 HB1 ALA 15 9.745 -7.255 -5.017 95 HB2 ALA 15 HB2 ALA 15 9.328 -8.707 -4.106 96 HB3 ALA 15 HB3 ALA 15 9.895 -8.843 -5.771 97 H CYS 16 H CYS 16 6.500 -8.830 -3.571 98 HA CYS 16 HA CYS 16 6.447 -11.606 -3.835 99 HB2 CYS 16 HB2 CYS 16 5.261 -9.638 -2.129 100 HB3 CYS 16 HB3 CYS 16 4.021 -10.794 -2.602 101 H CYS 17 H CYS 17 4.302 -9.137 -5.140 102 HA CYS 17 HA CYS 17 2.229 -10.770 -6.043 103 HB2 CYS 17 HB2 CYS 17 3.191 -8.055 -6.576 104 HB3 CYS 17 HB3 CYS 17 2.384 -8.792 -7.956 105 HN1 NH2 18 H1 NH2 18 5.024 -9.557 -7.901 106 HN2 NH2 18 H2 NH2 18 5.068 -10.795 -9.076 Start of MODEL 3 1 H1 ASP 1 H ASP 1 2.932 1.797 0.063 2 HA ASP 1 HA ASP 1 1.157 -0.207 -0.706 3 HB2 ASP 1 HB2 ASP 1 3.250 1.136 -2.429 4 HB3 ASP 1 HB3 ASP 1 1.804 0.311 -3.003 5 H CYS 2 H CYS 2 1.362 -2.322 -1.014 6 HA CYS 2 HA CYS 2 3.765 -3.515 -2.016 7 HB2 CYS 2 HB2 CYS 2 3.807 -5.089 0.099 8 HB3 CYS 2 HB3 CYS 2 4.683 -3.562 0.098 9 H CYS 3 H CYS 3 3.466 -6.099 -1.522 10 HA CYS 3 HA CYS 3 0.661 -6.740 -2.147 11 HB2 CYS 3 HB2 CYS 3 2.146 -6.730 -4.185 12 HB3 CYS 3 HB3 CYS 3 3.046 -8.056 -3.456 13 HA HYP 4 HA HYP 4 2.203 -8.000 1.558 14 HB2 HYP 4 HB2 HYP 4 0.457 -7.703 3.063 15 HB3 HYP 4 HB3 HYP 4 -0.623 -8.791 2.181 16 HG HYP 4 HG HYP 4 -1.470 -6.739 1.441 17 HD22 HYP 4 HD2 HYP 4 -0.900 -7.332 -0.731 18 HD23 HYP 4 HD3 HYP 4 0.443 -6.201 -0.557 19 HD1 HYP 4 HOD HYP 4 0.951 -5.503 1.151 20 H CYS 5 H CYS 5 3.461 -9.750 1.652 21 HA CYS 5 HA CYS 5 2.297 -12.423 1.538 22 HB2 CYS 5 HB2 CYS 5 4.961 -11.262 1.112 23 HB3 CYS 5 HB3 CYS 5 4.978 -12.788 1.990 24 HA HYP 6 HA HYP 6 1.394 -13.494 4.965 25 HB2 HYP 6 HB2 HYP 6 1.538 -15.801 5.203 26 HB3 HYP 6 HB3 HYP 6 3.306 -15.786 5.268 27 HG HYP 6 HG HYP 6 3.017 -16.456 3.045 28 HD22 HYP 6 HD2 HYP 6 4.127 -14.533 2.362 29 HD23 HYP 6 HD3 HYP 6 2.534 -13.921 1.910 30 HD1 HYP 6 HOD HYP 6 0.927 -14.780 2.496 31 H ALA 7 H ALA 7 4.548 -12.585 5.369 32 HA ALA 7 HA ALA 7 4.762 -13.121 8.207 33 HB1 ALA 7 HB1 ALA 7 6.576 -11.252 6.745 34 HB2 ALA 7 HB2 ALA 7 6.934 -12.352 8.076 35 HB3 ALA 7 HB3 ALA 7 6.678 -12.988 6.451 36 H GLY 8 H GLY 8 4.246 -10.313 6.099 37 HA2 GLY 8 HA2 GLY 8 2.920 -8.449 6.618 38 HA3 GLY 8 HA3 GLY 8 2.915 -8.949 8.303 39 H ALA 9 H ALA 9 5.824 -9.257 8.404 40 HA ALA 9 HA ALA 9 6.478 -6.592 9.159 41 HB1 ALA 9 HB1 ALA 9 8.765 -7.568 9.551 42 HB2 ALA 9 HB2 ALA 9 7.445 -8.354 10.418 43 HB3 ALA 9 HB3 ALA 9 8.122 -9.106 8.974 44 H VAL 10 H VAL 10 8.562 -8.582 7.106 45 HA VAL 10 HA VAL 10 9.012 -6.227 5.408 46 HB VAL 10 HB VAL 10 10.709 -8.717 5.587 47 HG11 VAL 10 HG11 VAL 10 12.187 -6.476 4.758 48 HG12 VAL 10 HG12 VAL 10 11.727 -7.884 3.798 49 HG13 VAL 10 HG13 VAL 10 10.690 -6.457 3.826 50 HG21 VAL 10 HG21 VAL 10 12.222 -7.449 6.992 51 HG22 VAL 10 HG22 VAL 10 11.155 -6.047 6.920 52 HG23 VAL 10 HG23 VAL 10 10.626 -7.516 7.740 53 H ARG 11 H ARG 11 7.467 -9.225 5.439 54 HA ARG 11 HA ARG 11 7.811 -10.071 2.773 55 HB2 ARG 11 HB2 ARG 11 5.908 -10.654 4.974 56 HB3 ARG 11 HB3 ARG 11 5.370 -11.043 3.345 57 HG2 ARG 11 HG2 ARG 11 7.890 -12.044 4.654 58 HG3 ARG 11 HG3 ARG 11 6.401 -12.962 4.425 59 HD2 ARG 11 HD2 ARG 11 7.080 -11.920 1.907 60 HD3 ARG 11 HD3 ARG 11 8.578 -12.537 2.603 61 HE ARG 11 HE ARG 11 6.395 -14.074 1.624 62 HH11 ARG 11 HH11 ARG 11 8.880 -14.014 4.062 63 HH12 ARG 11 HH12 ARG 11 8.950 -15.738 4.218 64 HH21 ARG 11 HH21 ARG 11 6.478 -16.345 1.821 65 HH22 ARG 11 HH22 ARG 11 7.584 -17.063 2.943 66 H CYS 12 H CYS 12 6.212 -7.386 4.046 67 HA CYS 12 HA CYS 12 4.140 -7.183 2.065 68 HB2 CYS 12 HB2 CYS 12 4.204 -6.154 4.449 69 HB3 CYS 12 HB3 CYS 12 5.153 -4.874 3.700 70 H ARG 13 H ARG 13 5.654 -7.527 0.236 71 HA ARG 13 HA ARG 13 6.697 -4.940 -0.687 72 HB2 ARG 13 HB2 ARG 13 8.077 -7.609 -1.027 73 HB3 ARG 13 HB3 ARG 13 8.608 -6.089 -1.733 74 HG2 ARG 13 HG2 ARG 13 9.279 -5.226 0.311 75 HG3 ARG 13 HG3 ARG 13 8.278 -6.355 1.226 76 HD2 ARG 13 HD2 ARG 13 10.616 -6.964 1.418 77 HD3 ARG 13 HD3 ARG 13 9.737 -8.199 0.518 78 HE ARG 13 HE ARG 13 10.738 -6.544 -1.404 79 HH11 ARG 13 HH11 ARG 13 12.107 -8.355 1.236 80 HH12 ARG 13 HH12 ARG 13 13.629 -8.604 0.447 81 HH21 ARG 13 HH21 ARG 13 12.738 -6.866 -2.453 82 HH22 ARG 13 HH22 ARG 13 13.987 -7.755 -1.651 83 H PHE 14 H PHE 14 6.609 -4.594 -2.932 84 HA PHE 14 HA PHE 14 4.383 -5.711 -4.238 85 HB2 PHE 14 HB2 PHE 14 5.172 -3.473 -4.772 86 HB3 PHE 14 HB3 PHE 14 6.699 -4.122 -5.359 87 HD1 PHE 14 HD1 PHE 14 3.035 -4.283 -5.977 88 HD2 PHE 14 HD2 PHE 14 6.954 -4.603 -7.606 89 HE1 PHE 14 HE1 PHE 14 2.077 -4.474 -8.236 90 HE2 PHE 14 HE2 PHE 14 6.003 -4.794 -9.867 91 HZ PHE 14 HZ PHE 14 3.562 -4.728 -10.184 92 H ALA 15 H ALA 15 7.735 -6.605 -4.163 93 HA ALA 15 HA ALA 15 7.912 -8.115 -6.512 94 HB1 ALA 15 HB1 ALA 15 9.345 -8.333 -3.878 95 HB2 ALA 15 HB2 ALA 15 9.729 -9.359 -5.261 96 HB3 ALA 15 HB3 ALA 15 9.920 -7.610 -5.380 97 H CYS 16 H CYS 16 6.629 -8.906 -3.339 98 HA CYS 16 HA CYS 16 6.460 -11.660 -3.496 99 HB2 CYS 16 HB2 CYS 16 5.880 -10.591 -1.447 100 HB3 CYS 16 HB3 CYS 16 4.612 -9.646 -2.220 101 H CYS 17 H CYS 17 4.456 -9.221 -5.017 102 HA CYS 17 HA CYS 17 2.335 -10.890 -5.826 103 HB2 CYS 17 HB2 CYS 17 3.194 -8.171 -6.284 104 HB3 CYS 17 HB3 CYS 17 2.625 -8.895 -7.785 105 HN1 NH2 18 H1 NH2 18 1.935 -11.988 -7.734 106 HN2 NH2 18 H2 NH2 18 3.127 -12.433 -8.872 Start of MODEL 4 1 H1 ASP 1 H ASP 1 3.459 1.689 -0.221 2 HA ASP 1 HA ASP 1 1.442 -0.244 -0.788 3 HB2 ASP 1 HB2 ASP 1 3.478 0.863 -2.726 4 HB3 ASP 1 HB3 ASP 1 1.888 0.203 -3.099 5 H CYS 2 H CYS 2 1.606 -2.369 -1.139 6 HA CYS 2 HA CYS 2 4.016 -3.613 -2.059 7 HB2 CYS 2 HB2 CYS 2 3.964 -5.160 0.080 8 HB3 CYS 2 HB3 CYS 2 4.878 -3.655 0.076 9 H CYS 3 H CYS 3 3.662 -6.185 -1.543 10 HA CYS 3 HA CYS 3 0.865 -6.790 -2.236 11 HB2 CYS 3 HB2 CYS 3 2.431 -6.826 -4.226 12 HB3 CYS 3 HB3 CYS 3 3.249 -8.183 -3.459 13 HA HYP 4 HA HYP 4 2.298 -8.028 1.523 14 HB2 HYP 4 HB2 HYP 4 0.524 -7.679 2.983 15 HB3 HYP 4 HB3 HYP 4 -0.556 -8.757 2.090 16 HG HYP 4 HG HYP 4 -1.346 -6.699 1.306 17 HD22 HYP 4 HD2 HYP 4 -0.738 -7.330 -0.846 18 HD23 HYP 4 HD3 HYP 4 0.622 -6.222 -0.654 19 HD1 HYP 4 HOD HYP 4 1.104 -5.513 1.056 20 H CYS 5 H CYS 5 3.501 -9.780 1.798 21 HA CYS 5 HA CYS 5 2.286 -12.439 1.657 22 HB2 CYS 5 HB2 CYS 5 5.047 -11.368 1.407 23 HB3 CYS 5 HB3 CYS 5 4.877 -12.981 2.092 24 HA HYP 6 HA HYP 6 1.245 -13.326 5.103 25 HB2 HYP 6 HB2 HYP 6 1.222 -15.631 5.394 26 HB3 HYP 6 HB3 HYP 6 2.986 -15.740 5.479 27 HG HYP 6 HG HYP 6 2.672 -16.439 3.268 28 HD22 HYP 6 HD2 HYP 6 3.922 -14.615 2.555 29 HD23 HYP 6 HD3 HYP 6 2.381 -13.903 2.072 30 HD1 HYP 6 HOD HYP 6 0.712 -14.633 2.658 31 H ALA 7 H ALA 7 4.450 -12.631 5.523 32 HA ALA 7 HA ALA 7 4.640 -13.143 8.358 33 HB1 ALA 7 HB1 ALA 7 6.831 -12.427 8.223 34 HB2 ALA 7 HB2 ALA 7 6.553 -13.071 6.604 35 HB3 ALA 7 HB3 ALA 7 6.501 -11.330 6.882 36 H GLY 8 H GLY 8 4.203 -10.315 6.259 37 HA2 GLY 8 HA2 GLY 8 2.949 -8.405 6.780 38 HA3 GLY 8 HA3 GLY 8 2.905 -8.920 8.459 39 H ALA 9 H ALA 9 5.811 -9.333 8.568 40 HA ALA 9 HA ALA 9 6.549 -6.717 9.395 41 HB1 ALA 9 HB1 ALA 9 8.042 -9.310 9.160 42 HB2 ALA 9 HB2 ALA 9 8.847 -7.816 9.643 43 HB3 ALA 9 HB3 ALA 9 7.523 -8.458 10.615 44 H VAL 10 H VAL 10 8.550 -8.693 7.245 45 HA VAL 10 HA VAL 10 8.990 -6.298 5.590 46 HB VAL 10 HB VAL 10 10.986 -7.270 6.747 47 HG11 VAL 10 HG11 VAL 10 10.532 -9.568 4.847 48 HG12 VAL 10 HG12 VAL 10 11.944 -9.345 5.882 49 HG13 VAL 10 HG13 VAL 10 10.357 -9.625 6.600 50 HG21 VAL 10 HG21 VAL 10 10.992 -5.968 4.547 51 HG22 VAL 10 HG22 VAL 10 12.435 -6.902 4.941 52 HG23 VAL 10 HG23 VAL 10 11.274 -7.526 3.769 53 H ARG 11 H ARG 11 7.374 -9.195 5.598 54 HA ARG 11 HA ARG 11 7.830 -10.125 2.960 55 HB2 ARG 11 HB2 ARG 11 5.868 -10.658 5.116 56 HB3 ARG 11 HB3 ARG 11 5.354 -11.052 3.481 57 HG2 ARG 11 HG2 ARG 11 7.829 -12.084 4.850 58 HG3 ARG 11 HG3 ARG 11 6.332 -12.980 4.589 59 HD2 ARG 11 HD2 ARG 11 7.083 -11.965 2.082 60 HD3 ARG 11 HD3 ARG 11 8.558 -12.593 2.817 61 HE ARG 11 HE ARG 11 6.412 -14.115 1.771 62 HH11 ARG 11 HH11 ARG 11 8.732 -14.057 4.366 63 HH12 ARG 11 HH12 ARG 11 8.754 -15.778 4.559 64 HH21 ARG 11 HH21 ARG 11 6.432 -16.383 2.016 65 HH22 ARG 11 HH22 ARG 11 7.447 -17.101 3.221 66 H CYS 12 H CYS 12 6.277 -7.379 4.112 67 HA CYS 12 HA CYS 12 4.242 -7.190 2.086 68 HB2 CYS 12 HB2 CYS 12 4.300 -6.097 4.454 69 HB3 CYS 12 HB3 CYS 12 5.255 -4.846 3.664 70 H ARG 13 H ARG 13 5.590 -7.524 0.213 71 HA ARG 13 HA ARG 13 6.750 -5.009 -0.730 72 HB2 ARG 13 HB2 ARG 13 8.145 -7.668 -1.072 73 HB3 ARG 13 HB3 ARG 13 8.718 -6.099 -1.621 74 HG2 ARG 13 HG2 ARG 13 9.162 -5.376 0.572 75 HG3 ARG 13 HG3 ARG 13 8.237 -6.702 1.279 76 HD2 ARG 13 HD2 ARG 13 10.753 -6.925 1.374 77 HD3 ARG 13 HD3 ARG 13 9.878 -8.292 0.684 78 HE ARG 13 HE ARG 13 10.860 -7.862 -1.349 79 HH11 ARG 13 HH11 ARG 13 11.415 -5.188 0.809 80 HH12 ARG 13 HH12 ARG 13 12.561 -4.414 -0.235 81 HH21 ARG 13 HH21 ARG 13 12.368 -6.853 -2.732 82 HH22 ARG 13 HH22 ARG 13 13.101 -5.361 -2.249 83 H PHE 14 H PHE 14 6.650 -4.706 -2.964 84 HA PHE 14 HA PHE 14 4.478 -5.915 -4.280 85 HB2 PHE 14 HB2 PHE 14 5.419 -3.624 -4.744 86 HB3 PHE 14 HB3 PHE 14 6.745 -4.411 -5.595 87 HD1 PHE 14 HD1 PHE 14 6.552 -4.852 -7.853 88 HD2 PHE 14 HD2 PHE 14 3.030 -4.205 -5.552 89 HE1 PHE 14 HE1 PHE 14 5.203 -4.899 -9.911 90 HE2 PHE 14 HE2 PHE 14 1.676 -4.252 -7.606 91 HZ PHE 14 HZ PHE 14 2.762 -4.600 -9.789 92 H ALA 15 H ALA 15 7.866 -6.684 -4.167 93 HA ALA 15 HA ALA 15 8.227 -8.177 -6.461 94 HB1 ALA 15 HB1 ALA 15 9.348 -8.701 -3.711 95 HB2 ALA 15 HB2 ALA 15 9.952 -9.411 -5.209 96 HB3 ALA 15 HB3 ALA 15 10.052 -7.668 -4.956 97 H CYS 16 H CYS 16 6.581 -9.053 -3.485 98 HA CYS 16 HA CYS 16 6.385 -11.811 -3.847 99 HB2 CYS 16 HB2 CYS 16 5.151 -9.799 -2.174 100 HB3 CYS 16 HB3 CYS 16 3.969 -11.006 -2.670 101 H CYS 17 H CYS 17 4.506 -9.180 -5.213 102 HA CYS 17 HA CYS 17 2.416 -10.762 -6.285 103 HB2 CYS 17 HB2 CYS 17 3.279 -7.982 -6.410 104 HB3 CYS 17 HB3 CYS 17 2.631 -8.547 -7.946 105 HN1 NH2 18 H1 NH2 18 2.111 -11.609 -8.329 106 HN2 NH2 18 H2 NH2 18 3.349 -11.862 -9.478 Start of MODEL 5 1 H1 ASP 1 H ASP 1 3.253 1.744 -1.593 2 HA ASP 1 HA ASP 1 1.586 -0.008 0.018 3 HB2 ASP 1 HB2 ASP 1 0.677 -0.730 -2.199 4 HB3 ASP 1 HB3 ASP 1 0.523 0.998 -1.893 5 H CYS 2 H CYS 2 1.382 -2.336 -1.006 6 HA CYS 2 HA CYS 2 3.820 -3.503 -1.954 7 HB2 CYS 2 HB2 CYS 2 3.825 -5.075 0.167 8 HB3 CYS 2 HB3 CYS 2 4.695 -3.545 0.176 9 H CYS 3 H CYS 3 3.539 -6.090 -1.465 10 HA CYS 3 HA CYS 3 0.757 -6.763 -2.148 11 HB2 CYS 3 HB2 CYS 3 2.307 -6.732 -4.149 12 HB3 CYS 3 HB3 CYS 3 3.170 -8.074 -3.404 13 HA HYP 4 HA HYP 4 2.249 -8.006 1.587 14 HB2 HYP 4 HB2 HYP 4 0.477 -7.724 3.063 15 HB3 HYP 4 HB3 HYP 4 -0.580 -8.821 2.164 16 HG HYP 4 HG HYP 4 -1.432 -6.777 1.410 17 HD22 HYP 4 HD2 HYP 4 -0.822 -7.365 -0.753 18 HD23 HYP 4 HD3 HYP 4 0.509 -6.222 -0.558 19 HD1 HYP 4 HOD HYP 4 0.983 -5.520 1.158 20 H CYS 5 H CYS 5 3.507 -9.731 1.802 21 HA CYS 5 HA CYS 5 2.364 -12.419 1.648 22 HB2 CYS 5 HB2 CYS 5 5.089 -11.266 1.380 23 HB3 CYS 5 HB3 CYS 5 4.977 -12.888 2.057 24 HA HYP 6 HA HYP 6 1.382 -13.386 5.089 25 HB2 HYP 6 HB2 HYP 6 1.434 -15.695 5.349 26 HB3 HYP 6 HB3 HYP 6 3.200 -15.750 5.418 27 HG HYP 6 HG HYP 6 2.890 -16.428 3.200 28 HD22 HYP 6 HD2 HYP 6 4.076 -14.557 2.502 29 HD23 HYP 6 HD3 HYP 6 2.510 -13.888 2.041 30 HD1 HYP 6 HOD HYP 6 0.870 -14.677 2.631 31 H ALA 7 H ALA 7 4.566 -12.594 5.492 32 HA ALA 7 HA ALA 7 4.792 -13.136 8.321 33 HB1 ALA 7 HB1 ALA 7 6.592 -11.257 6.849 34 HB2 ALA 7 HB2 ALA 7 6.963 -12.356 8.178 35 HB3 ALA 7 HB3 ALA 7 6.691 -12.993 6.556 36 H GLY 8 H GLY 8 4.265 -10.298 6.255 37 HA2 GLY 8 HA2 GLY 8 2.961 -8.431 6.806 38 HA3 GLY 8 HA3 GLY 8 2.945 -8.963 8.481 39 H ALA 9 H ALA 9 5.863 -9.296 8.561 40 HA ALA 9 HA ALA 9 6.535 -6.666 9.405 41 HB1 ALA 9 HB1 ALA 9 7.690 -8.173 10.652 42 HB2 ALA 9 HB2 ALA 9 7.912 -9.289 9.304 43 HB3 ALA 9 HB3 ALA 9 8.916 -7.845 9.428 44 H VAL 10 H VAL 10 8.577 -8.572 7.231 45 HA VAL 10 HA VAL 10 8.950 -6.154 5.595 46 HB VAL 10 HB VAL 10 10.974 -7.100 6.724 47 HG11 VAL 10 HG11 VAL 10 11.964 -9.146 5.824 48 HG12 VAL 10 HG12 VAL 10 10.390 -9.466 6.556 49 HG13 VAL 10 HG13 VAL 10 10.548 -9.386 4.801 50 HG21 VAL 10 HG21 VAL 10 12.050 -6.059 5.086 51 HG22 VAL 10 HG22 VAL 10 11.886 -7.483 4.058 52 HG23 VAL 10 HG23 VAL 10 10.639 -6.236 4.043 53 H ARG 11 H ARG 11 7.402 -9.093 5.585 54 HA ARG 11 HA ARG 11 7.848 -9.974 2.928 55 HB2 ARG 11 HB2 ARG 11 5.922 -10.584 5.097 56 HB3 ARG 11 HB3 ARG 11 5.406 -10.974 3.462 57 HG2 ARG 11 HG2 ARG 11 7.920 -11.953 4.800 58 HG3 ARG 11 HG3 ARG 11 6.445 -12.887 4.543 59 HD2 ARG 11 HD2 ARG 11 7.145 -11.827 2.040 60 HD3 ARG 11 HD3 ARG 11 8.644 -12.421 2.755 61 HE ARG 11 HE ARG 11 6.530 -13.992 1.715 62 HH11 ARG 11 HH11 ARG 11 8.874 -13.894 4.287 63 HH12 ARG 11 HH12 ARG 11 8.946 -15.616 4.463 64 HH21 ARG 11 HH21 ARG 11 6.616 -16.261 1.936 65 HH22 ARG 11 HH22 ARG 11 7.663 -16.961 3.124 66 H CYS 12 H CYS 12 6.225 -7.292 4.146 67 HA CYS 12 HA CYS 12 4.172 -7.126 2.138 68 HB2 CYS 12 HB2 CYS 12 4.207 -6.078 4.523 69 HB3 CYS 12 HB3 CYS 12 5.130 -4.787 3.759 70 H ARG 13 H ARG 13 5.481 -7.369 0.236 71 HA ARG 13 HA ARG 13 6.553 -4.808 -0.672 72 HB2 ARG 13 HB2 ARG 13 8.072 -7.372 -1.144 73 HB3 ARG 13 HB3 ARG 13 8.589 -5.730 -1.505 74 HG2 ARG 13 HG2 ARG 13 8.594 -5.265 0.941 75 HG3 ARG 13 HG3 ARG 13 8.259 -6.976 1.213 76 HD2 ARG 13 HD2 ARG 13 10.700 -5.727 -0.020 77 HD3 ARG 13 HD3 ARG 13 10.598 -6.716 1.436 78 HE ARG 13 HE ARG 13 9.692 -8.308 -0.620 79 HH11 ARG 13 HH11 ARG 13 12.626 -6.603 0.160 80 HH12 ARG 13 HH12 ARG 13 13.653 -7.725 -0.670 81 HH21 ARG 13 HH21 ARG 13 11.034 -9.792 -1.716 82 HH22 ARG 13 HH22 ARG 13 12.746 -9.538 -1.737 83 H PHE 14 H PHE 14 6.444 -4.491 -2.906 84 HA PHE 14 HA PHE 14 4.320 -5.770 -4.231 85 HB2 PHE 14 HB2 PHE 14 5.003 -3.480 -4.759 86 HB3 PHE 14 HB3 PHE 14 6.544 -4.068 -5.375 87 HD1 PHE 14 HD1 PHE 14 2.899 -4.692 -5.890 88 HD2 PHE 14 HD2 PHE 14 6.751 -4.249 -7.647 89 HE1 PHE 14 HE1 PHE 14 1.904 -4.940 -8.127 90 HE2 PHE 14 HE2 PHE 14 5.761 -4.495 -9.886 91 HZ PHE 14 HZ PHE 14 3.335 -4.840 -10.128 92 H ALA 15 H ALA 15 7.734 -6.417 -4.124 93 HA ALA 15 HA ALA 15 8.154 -7.879 -6.424 94 HB1 ALA 15 HB1 ALA 15 9.930 -9.037 -5.211 95 HB2 ALA 15 HB2 ALA 15 9.933 -7.309 -4.857 96 HB3 ALA 15 HB3 ALA 15 9.275 -8.449 -3.683 97 H CYS 16 H CYS 16 6.528 -8.842 -3.464 98 HA CYS 16 HA CYS 16 6.418 -11.602 -3.874 99 HB2 CYS 16 HB2 CYS 16 5.153 -9.665 -2.144 100 HB3 CYS 16 HB3 CYS 16 3.988 -10.879 -2.662 101 H CYS 17 H CYS 17 4.459 -9.000 -5.179 102 HA CYS 17 HA CYS 17 2.404 -10.624 -6.264 103 HB2 CYS 17 HB2 CYS 17 3.173 -7.817 -6.324 104 HB3 CYS 17 HB3 CYS 17 2.547 -8.363 -7.876 105 HN1 NH2 18 H1 NH2 18 5.148 -8.990 -7.858 106 HN2 NH2 18 H2 NH2 18 5.301 -10.052 -9.187 Start of MODEL 6 1 H1 ASP 1 H ASP 1 3.179 1.905 -0.833 2 HA ASP 1 HA ASP 1 1.320 -0.211 -0.481 3 HB2 ASP 1 HB2 ASP 1 2.635 0.934 -2.948 4 HB3 ASP 1 HB3 ASP 1 1.403 -0.323 -3.004 5 H CYS 2 H CYS 2 1.460 -2.379 -1.181 6 HA CYS 2 HA CYS 2 3.938 -3.503 -2.074 7 HB2 CYS 2 HB2 CYS 2 3.914 -5.074 0.053 8 HB3 CYS 2 HB3 CYS 2 4.771 -3.536 0.070 9 H CYS 3 H CYS 3 3.690 -6.095 -1.580 10 HA CYS 3 HA CYS 3 0.937 -6.816 -2.334 11 HB2 CYS 3 HB2 CYS 3 3.486 -7.364 -3.748 12 HB3 CYS 3 HB3 CYS 3 2.334 -8.693 -3.668 13 HA HYP 4 HA HYP 4 2.353 -8.013 1.449 14 HB2 HYP 4 HB2 HYP 4 0.542 -7.740 2.880 15 HB3 HYP 4 HB3 HYP 4 -0.480 -8.854 1.963 16 HG HYP 4 HG HYP 4 -1.336 -6.824 1.174 17 HD22 HYP 4 HD2 HYP 4 -0.667 -7.420 -0.969 18 HD23 HYP 4 HD3 HYP 4 0.646 -6.262 -0.750 19 HD1 HYP 4 HOD HYP 4 1.071 -5.543 0.972 20 H CYS 5 H CYS 5 3.617 -9.717 1.738 21 HA CYS 5 HA CYS 5 2.501 -12.420 1.578 22 HB2 CYS 5 HB2 CYS 5 5.230 -11.256 1.354 23 HB3 CYS 5 HB3 CYS 5 5.099 -12.886 2.007 24 HA HYP 6 HA HYP 6 1.479 -13.340 5.021 25 HB2 HYP 6 HB2 HYP 6 1.528 -15.646 5.310 26 HB3 HYP 6 HB3 HYP 6 3.294 -15.699 5.397 27 HG HYP 6 HG HYP 6 3.006 -16.405 3.185 28 HD22 HYP 6 HD2 HYP 6 4.200 -14.542 2.477 29 HD23 HYP 6 HD3 HYP 6 2.638 -13.878 1.991 30 HD1 HYP 6 HOD HYP 6 0.992 -14.661 2.574 31 H ALA 7 H ALA 7 4.653 -12.533 5.447 32 HA ALA 7 HA ALA 7 4.854 -13.045 8.284 33 HB1 ALA 7 HB1 ALA 7 7.023 -12.256 8.154 34 HB2 ALA 7 HB2 ALA 7 6.771 -12.917 6.538 35 HB3 ALA 7 HB3 ALA 7 6.662 -11.177 6.807 36 H GLY 8 H GLY 8 4.337 -10.231 6.183 37 HA2 GLY 8 HA2 GLY 8 3.020 -8.363 6.702 38 HA3 GLY 8 HA3 GLY 8 2.994 -8.876 8.382 39 H ALA 9 H ALA 9 5.912 -9.196 8.488 40 HA ALA 9 HA ALA 9 6.567 -6.555 9.307 41 HB1 ALA 9 HB1 ALA 9 8.005 -9.158 9.197 42 HB2 ALA 9 HB2 ALA 9 8.942 -7.680 9.415 43 HB3 ALA 9 HB3 ALA 9 7.681 -8.102 10.573 44 H VAL 10 H VAL 10 8.641 -8.472 7.176 45 HA VAL 10 HA VAL 10 9.011 -6.073 5.512 46 HB VAL 10 HB VAL 10 11.031 -6.993 6.669 47 HG11 VAL 10 HG11 VAL 10 12.042 -9.043 5.790 48 HG12 VAL 10 HG12 VAL 10 10.473 -9.362 6.534 49 HG13 VAL 10 HG13 VAL 10 10.623 -9.307 4.777 50 HG21 VAL 10 HG21 VAL 10 11.065 -5.664 4.526 51 HG22 VAL 10 HG22 VAL 10 12.483 -6.671 4.819 52 HG23 VAL 10 HG23 VAL 10 11.249 -7.197 3.673 53 H ARG 11 H ARG 11 7.472 -9.014 5.524 54 HA ARG 11 HA ARG 11 7.949 -9.930 2.884 55 HB2 ARG 11 HB2 ARG 11 6.003 -10.517 5.042 56 HB3 ARG 11 HB3 ARG 11 5.504 -10.929 3.407 57 HG2 ARG 11 HG2 ARG 11 8.005 -11.885 4.784 58 HG3 ARG 11 HG3 ARG 11 6.536 -12.826 4.520 59 HD2 ARG 11 HD2 ARG 11 7.257 -11.798 2.013 60 HD3 ARG 11 HD3 ARG 11 8.755 -12.365 2.751 61 HE ARG 11 HE ARG 11 6.669 -13.974 1.711 62 HH11 ARG 11 HH11 ARG 11 8.984 -13.814 4.306 63 HH12 ARG 11 HH12 ARG 11 9.073 -15.533 4.507 64 HH21 ARG 11 HH21 ARG 11 6.777 -16.238 1.966 65 HH22 ARG 11 HH22 ARG 11 7.817 -16.911 3.175 66 H CYS 12 H CYS 12 6.301 -7.239 4.052 67 HA CYS 12 HA CYS 12 4.274 -7.106 2.013 68 HB2 CYS 12 HB2 CYS 12 4.288 -6.033 4.398 69 HB3 CYS 12 HB3 CYS 12 5.180 -4.735 3.611 70 H ARG 13 H ARG 13 5.629 -7.362 0.140 71 HA ARG 13 HA ARG 13 6.713 -4.800 -0.762 72 HB2 ARG 13 HB2 ARG 13 8.209 -7.373 -1.242 73 HB3 ARG 13 HB3 ARG 13 8.747 -5.732 -1.573 74 HG2 ARG 13 HG2 ARG 13 8.720 -5.306 0.884 75 HG3 ARG 13 HG3 ARG 13 8.381 -7.022 1.119 76 HD2 ARG 13 HD2 ARG 13 10.838 -5.741 -0.043 77 HD3 ARG 13 HD3 ARG 13 10.714 -6.787 1.370 78 HE ARG 13 HE ARG 13 10.871 -7.603 -1.390 79 HH11 ARG 13 HH11 ARG 13 9.946 -8.510 1.841 80 HH12 ARG 13 HH12 ARG 13 10.069 -10.211 1.539 81 HH21 ARG 13 HH21 ARG 13 11.037 -9.841 -1.801 82 HH22 ARG 13 HH22 ARG 13 10.691 -10.967 -0.533 83 H PHE 14 H PHE 14 6.624 -4.476 -2.997 84 HA PHE 14 HA PHE 14 4.504 -5.763 -4.338 85 HB2 PHE 14 HB2 PHE 14 5.539 -3.396 -4.694 86 HB3 PHE 14 HB3 PHE 14 6.630 -4.227 -5.797 87 HD1 PHE 14 HD1 PHE 14 5.608 -5.566 -7.699 88 HD2 PHE 14 HD2 PHE 14 3.408 -2.756 -5.379 89 HE1 PHE 14 HE1 PHE 14 3.917 -5.425 -9.480 90 HE2 PHE 14 HE2 PHE 14 1.713 -2.612 -7.156 91 HZ PHE 14 HZ PHE 14 1.965 -3.948 -9.209 92 H ALA 15 H ALA 15 7.903 -6.399 -4.173 93 HA ALA 15 HA ALA 15 8.310 -7.834 -6.528 94 HB1 ALA 15 HB1 ALA 15 10.053 -7.106 -4.864 95 HB2 ALA 15 HB2 ALA 15 9.590 -8.499 -3.887 96 HB3 ALA 15 HB3 ALA 15 10.248 -8.738 -5.505 97 H CYS 16 H CYS 16 6.773 -8.765 -3.526 98 HA CYS 16 HA CYS 16 6.798 -11.543 -3.810 99 HB2 CYS 16 HB2 CYS 16 5.546 -9.627 -2.109 100 HB3 CYS 16 HB3 CYS 16 4.312 -10.757 -2.656 101 H CYS 17 H CYS 17 4.662 -9.105 -5.179 102 HA CYS 17 HA CYS 17 2.664 -10.801 -6.170 103 HB2 CYS 17 HB2 CYS 17 3.529 -8.031 -6.605 104 HB3 CYS 17 HB3 CYS 17 2.769 -8.764 -8.014 105 HN1 NH2 18 H1 NH2 18 2.555 -12.148 -7.858 106 HN2 NH2 18 H2 NH2 18 3.721 -12.366 -9.086 Start of MODEL 7 1 H1 ASP 1 H ASP 1 3.666 1.527 -1.681 2 HA ASP 1 HA ASP 1 1.717 0.005 -0.080 3 HB2 ASP 1 HB2 ASP 1 1.866 -0.053 -3.086 4 HB3 ASP 1 HB3 ASP 1 0.520 -0.508 -2.044 5 H CYS 2 H CYS 2 1.496 -2.329 -1.127 6 HA CYS 2 HA CYS 2 3.941 -3.502 -2.050 7 HB2 CYS 2 HB2 CYS 2 3.890 -5.088 0.071 8 HB3 CYS 2 HB3 CYS 2 4.793 -3.577 0.083 9 H CYS 3 H CYS 3 3.639 -6.092 -1.571 10 HA CYS 3 HA CYS 3 0.865 -6.745 -2.311 11 HB2 CYS 3 HB2 CYS 3 3.394 -7.348 -3.743 12 HB3 CYS 3 HB3 CYS 3 2.203 -8.643 -3.669 13 HA HYP 4 HA HYP 4 2.289 -7.999 1.453 14 HB2 HYP 4 HB2 HYP 4 0.500 -7.688 2.904 15 HB3 HYP 4 HB3 HYP 4 -0.560 -8.770 1.991 16 HG HYP 4 HG HYP 4 -1.370 -6.714 1.224 17 HD22 HYP 4 HD2 HYP 4 -0.739 -7.313 -0.930 18 HD23 HYP 4 HD3 HYP 4 0.606 -6.191 -0.717 19 HD1 HYP 4 HOD HYP 4 1.067 -5.494 1.005 20 H CYS 5 H CYS 5 3.497 -9.728 1.789 21 HA CYS 5 HA CYS 5 2.313 -12.403 1.601 22 HB2 CYS 5 HB2 CYS 5 5.072 -11.314 1.363 23 HB3 CYS 5 HB3 CYS 5 4.899 -12.943 2.008 24 HA HYP 6 HA HYP 6 1.293 -13.305 5.050 25 HB2 HYP 6 HB2 HYP 6 1.282 -15.612 5.332 26 HB3 HYP 6 HB3 HYP 6 3.046 -15.714 5.406 27 HG HYP 6 HG HYP 6 2.722 -16.405 3.194 28 HD22 HYP 6 HD2 HYP 6 3.960 -14.573 2.481 29 HD23 HYP 6 HD3 HYP 6 2.413 -13.866 2.010 30 HD1 HYP 6 HOD HYP 6 0.751 -14.605 2.603 31 H ALA 7 H ALA 7 4.493 -12.590 5.454 32 HA ALA 7 HA ALA 7 4.709 -13.118 8.284 33 HB1 ALA 7 HB1 ALA 7 6.892 -12.368 8.139 34 HB2 ALA 7 HB2 ALA 7 6.610 -13.021 6.524 35 HB3 ALA 7 HB3 ALA 7 6.538 -11.280 6.796 36 H GLY 8 H GLY 8 4.229 -10.280 6.208 37 HA2 GLY 8 HA2 GLY 8 2.951 -8.392 6.756 38 HA3 GLY 8 HA3 GLY 8 2.941 -8.913 8.435 39 H ALA 9 H ALA 9 5.853 -9.289 8.495 40 HA ALA 9 HA ALA 9 6.572 -6.665 9.316 41 HB1 ALA 9 HB1 ALA 9 8.058 -9.255 9.080 42 HB2 ALA 9 HB2 ALA 9 8.898 -7.759 9.489 43 HB3 ALA 9 HB3 ALA 9 7.606 -8.357 10.530 44 H VAL 10 H VAL 10 8.586 -8.602 7.149 45 HA VAL 10 HA VAL 10 8.969 -6.201 5.490 46 HB VAL 10 HB VAL 10 10.771 -8.618 5.599 47 HG11 VAL 10 HG11 VAL 10 11.817 -7.646 3.901 48 HG12 VAL 10 HG12 VAL 10 10.647 -6.325 3.919 49 HG13 VAL 10 HG13 VAL 10 12.109 -6.222 4.900 50 HG21 VAL 10 HG21 VAL 10 11.060 -6.009 7.088 51 HG22 VAL 10 HG22 VAL 10 10.649 -7.565 7.811 52 HG23 VAL 10 HG23 VAL 10 12.229 -7.329 7.065 53 H ARG 11 H ARG 11 7.421 -9.153 5.511 54 HA ARG 11 HA ARG 11 7.828 -10.059 2.867 55 HB2 ARG 11 HB2 ARG 11 5.888 -10.597 5.042 56 HB3 ARG 11 HB3 ARG 11 5.360 -10.992 3.411 57 HG2 ARG 11 HG2 ARG 11 7.847 -12.020 4.763 58 HG3 ARG 11 HG3 ARG 11 6.351 -12.919 4.505 59 HD2 ARG 11 HD2 ARG 11 7.068 -11.911 1.995 60 HD3 ARG 11 HD3 ARG 11 8.568 -12.493 2.716 61 HE ARG 11 HE ARG 11 6.436 -14.081 1.722 62 HH11 ARG 11 HH11 ARG 11 8.850 -13.944 4.226 63 HH12 ARG 11 HH12 ARG 11 8.939 -15.664 4.415 64 HH21 ARG 11 HH21 ARG 11 6.544 -16.347 1.961 65 HH22 ARG 11 HH22 ARG 11 7.628 -17.030 3.125 66 H CYS 12 H CYS 12 6.260 -7.325 4.044 67 HA CYS 12 HA CYS 12 4.213 -7.140 2.034 68 HB2 CYS 12 HB2 CYS 12 4.312 -6.043 4.409 69 HB3 CYS 12 HB3 CYS 12 5.220 -4.780 3.584 70 H ARG 13 H ARG 13 5.737 -7.549 0.231 71 HA ARG 13 HA ARG 13 6.867 -5.007 -0.721 72 HB2 ARG 13 HB2 ARG 13 8.130 -7.740 -1.002 73 HB3 ARG 13 HB3 ARG 13 8.712 -6.276 -1.783 74 HG2 ARG 13 HG2 ARG 13 9.498 -5.374 0.184 75 HG3 ARG 13 HG3 ARG 13 8.409 -6.340 1.183 76 HD2 ARG 13 HD2 ARG 13 10.656 -7.163 1.442 77 HD3 ARG 13 HD3 ARG 13 9.702 -8.357 0.564 78 HE ARG 13 HE ARG 13 10.948 -6.756 -1.330 79 HH11 ARG 13 HH11 ARG 13 11.859 -8.975 1.193 80 HH12 ARG 13 HH12 ARG 13 13.319 -9.474 0.406 81 HH21 ARG 13 HH21 ARG 13 12.867 -7.405 -2.376 82 HH22 ARG 13 HH22 ARG 13 13.892 -8.580 -1.624 83 H PHE 14 H PHE 14 6.724 -4.631 -2.938 84 HA PHE 14 HA PHE 14 4.485 -5.759 -4.239 85 HB2 PHE 14 HB2 PHE 14 5.489 -3.443 -4.595 86 HB3 PHE 14 HB3 PHE 14 6.699 -4.230 -5.603 87 HD1 PHE 14 HD1 PHE 14 3.249 -3.130 -5.352 88 HD2 PHE 14 HD2 PHE 14 6.055 -5.285 -7.720 89 HE1 PHE 14 HE1 PHE 14 1.720 -3.003 -7.275 90 HE2 PHE 14 HE2 PHE 14 4.530 -5.160 -9.646 91 HZ PHE 14 HZ PHE 14 2.359 -4.017 -9.426 92 H ALA 15 H ALA 15 7.859 -6.562 -4.222 93 HA ALA 15 HA ALA 15 8.078 -7.974 -6.621 94 HB1 ALA 15 HB1 ALA 15 10.051 -8.916 -5.754 95 HB2 ALA 15 HB2 ALA 15 9.923 -7.327 -4.998 96 HB3 ALA 15 HB3 ALA 15 9.485 -8.774 -4.090 97 H CYS 16 H CYS 16 6.643 -8.862 -3.565 98 HA CYS 16 HA CYS 16 6.562 -11.636 -3.829 99 HB2 CYS 16 HB2 CYS 16 5.423 -9.672 -2.112 100 HB3 CYS 16 HB3 CYS 16 4.128 -10.748 -2.627 101 H CYS 17 H CYS 17 4.463 -9.144 -5.162 102 HA CYS 17 HA CYS 17 2.378 -10.756 -6.082 103 HB2 CYS 17 HB2 CYS 17 3.373 -8.051 -6.605 104 HB3 CYS 17 HB3 CYS 17 2.570 -8.779 -7.992 105 HN1 NH2 18 H1 NH2 18 2.469 -12.433 -7.410 106 HN2 NH2 18 H2 NH2 18 3.485 -12.650 -8.766 Start of MODEL 8 1 H1 ASP 1 H ASP 1 3.329 1.552 -0.115 2 HA ASP 1 HA ASP 1 1.251 -0.285 -0.949 3 HB2 ASP 1 HB2 ASP 1 3.241 1.458 -2.346 4 HB3 ASP 1 HB3 ASP 1 2.514 0.118 -3.229 5 H CYS 2 H CYS 2 1.489 -2.404 -1.190 6 HA CYS 2 HA CYS 2 3.945 -3.596 -2.057 7 HB2 CYS 2 HB2 CYS 2 3.895 -5.124 0.097 8 HB3 CYS 2 HB3 CYS 2 4.771 -3.597 0.092 9 H CYS 3 H CYS 3 3.645 -6.172 -1.519 10 HA CYS 3 HA CYS 3 0.877 -6.852 -2.255 11 HB2 CYS 3 HB2 CYS 3 2.474 -6.870 -4.218 12 HB3 CYS 3 HB3 CYS 3 3.318 -8.195 -3.422 13 HA HYP 4 HA HYP 4 2.275 -8.017 1.542 14 HB2 HYP 4 HB2 HYP 4 0.468 -7.696 2.968 15 HB3 HYP 4 HB3 HYP 4 -0.571 -8.809 2.067 16 HG HYP 4 HG HYP 4 -1.396 -6.779 1.248 17 HD22 HYP 4 HD2 HYP 4 -0.736 -7.417 -0.886 18 HD23 HYP 4 HD3 HYP 4 0.594 -6.275 -0.683 19 HD1 HYP 4 HOD HYP 4 1.029 -5.536 1.028 20 H CYS 5 H CYS 5 3.521 -9.742 1.817 21 HA CYS 5 HA CYS 5 2.372 -12.429 1.697 22 HB2 CYS 5 HB2 CYS 5 5.108 -11.293 1.473 23 HB3 CYS 5 HB3 CYS 5 4.969 -12.902 2.174 24 HA HYP 6 HA HYP 6 1.305 -13.315 5.135 25 HB2 HYP 6 HB2 HYP 6 1.340 -15.618 5.446 26 HB3 HYP 6 HB3 HYP 6 3.104 -15.679 5.557 27 HG HYP 6 HG HYP 6 2.841 -16.405 3.348 28 HD22 HYP 6 HD2 HYP 6 4.052 -14.555 2.637 29 HD23 HYP 6 HD3 HYP 6 2.500 -13.888 2.126 30 HD1 HYP 6 HOD HYP 6 0.843 -14.657 2.694 31 H ALA 7 H ALA 7 4.481 -12.524 5.594 32 HA ALA 7 HA ALA 7 4.640 -13.006 8.439 33 HB1 ALA 7 HB1 ALA 7 6.580 -12.915 6.719 34 HB2 ALA 7 HB2 ALA 7 6.482 -11.171 6.964 35 HB3 ALA 7 HB3 ALA 7 6.817 -12.236 8.329 36 H GLY 8 H GLY 8 4.174 -10.213 6.299 37 HA2 GLY 8 HA2 GLY 8 2.868 -8.327 6.778 38 HA3 GLY 8 HA3 GLY 8 2.809 -8.823 8.463 39 H ALA 9 H ALA 9 5.722 -9.168 8.622 40 HA ALA 9 HA ALA 9 6.387 -6.525 9.426 41 HB1 ALA 9 HB1 ALA 9 7.682 -9.168 9.480 42 HB2 ALA 9 HB2 ALA 9 8.773 -7.782 9.454 43 HB3 ALA 9 HB3 ALA 9 7.567 -7.931 10.732 44 H VAL 10 H VAL 10 8.471 -8.482 7.340 45 HA VAL 10 HA VAL 10 8.890 -6.100 5.662 46 HB VAL 10 HB VAL 10 10.885 -7.023 6.858 47 HG11 VAL 10 HG11 VAL 10 10.483 -9.357 4.988 48 HG12 VAL 10 HG12 VAL 10 11.890 -9.093 6.020 49 HG13 VAL 10 HG13 VAL 10 10.309 -9.388 6.743 50 HG21 VAL 10 HG21 VAL 10 11.849 -7.475 4.219 51 HG22 VAL 10 HG22 VAL 10 10.615 -6.217 4.155 52 HG23 VAL 10 HG23 VAL 10 12.009 -6.031 5.219 53 H ARG 11 H ARG 11 7.337 -9.036 5.678 54 HA ARG 11 HA ARG 11 7.843 -9.972 3.051 55 HB2 ARG 11 HB2 ARG 11 5.859 -10.533 5.184 56 HB3 ARG 11 HB3 ARG 11 5.394 -10.966 3.544 57 HG2 ARG 11 HG2 ARG 11 7.850 -11.912 5.007 58 HG3 ARG 11 HG3 ARG 11 6.396 -12.855 4.675 59 HD2 ARG 11 HD2 ARG 11 7.291 -11.771 2.218 60 HD3 ARG 11 HD3 ARG 11 8.693 -12.464 3.033 61 HE ARG 11 HE ARG 11 6.370 -14.172 2.987 62 HH11 ARG 11 HH11 ARG 11 9.282 -13.205 1.341 63 HH12 ARG 11 HH12 ARG 11 9.422 -14.682 0.447 64 HH21 ARG 11 HH21 ARG 11 6.544 -16.121 1.815 65 HH22 ARG 11 HH22 ARG 11 7.864 -16.340 0.716 66 H CYS 12 H CYS 12 6.198 -7.263 4.175 67 HA CYS 12 HA CYS 12 4.190 -7.138 2.118 68 HB2 CYS 12 HB2 CYS 12 4.168 -6.042 4.480 69 HB3 CYS 12 HB3 CYS 12 5.115 -4.769 3.716 70 H ARG 13 H ARG 13 5.543 -7.421 0.253 71 HA ARG 13 HA ARG 13 6.639 -4.880 -0.683 72 HB2 ARG 13 HB2 ARG 13 8.165 -7.454 -1.066 73 HB3 ARG 13 HB3 ARG 13 8.692 -5.821 -1.451 74 HG2 ARG 13 HG2 ARG 13 8.639 -5.303 0.985 75 HG3 ARG 13 HG3 ARG 13 8.301 -7.009 1.285 76 HD2 ARG 13 HD2 ARG 13 10.767 -5.780 0.080 77 HD3 ARG 13 HD3 ARG 13 10.635 -6.737 1.555 78 HE ARG 13 HE ARG 13 9.778 -8.374 -0.489 79 HH11 ARG 13 HH11 ARG 13 12.691 -6.652 0.329 80 HH12 ARG 13 HH12 ARG 13 13.738 -7.791 -0.451 81 HH21 ARG 13 HH21 ARG 13 11.146 -9.880 -1.519 82 HH22 ARG 13 HH22 ARG 13 12.859 -9.626 -1.503 83 H PHE 14 H PHE 14 6.583 -4.609 -2.925 84 HA PHE 14 HA PHE 14 4.488 -5.912 -4.273 85 HB2 PHE 14 HB2 PHE 14 5.489 -3.586 -4.712 86 HB3 PHE 14 HB3 PHE 14 6.706 -4.427 -5.666 87 HD1 PHE 14 HD1 PHE 14 6.085 -5.590 -7.726 88 HD2 PHE 14 HD2 PHE 14 3.246 -3.337 -5.495 89 HE1 PHE 14 HE1 PHE 14 4.572 -5.583 -9.666 90 HE2 PHE 14 HE2 PHE 14 1.728 -3.327 -7.431 91 HZ PHE 14 HZ PHE 14 2.389 -4.451 -9.520 92 H ALA 15 H ALA 15 7.897 -6.563 -4.074 93 HA ALA 15 HA ALA 15 8.366 -8.075 -6.331 94 HB1 ALA 15 HB1 ALA 15 10.179 -9.082 -5.166 95 HB2 ALA 15 HB2 ALA 15 10.034 -7.426 -4.574 96 HB3 ALA 15 HB3 ALA 15 9.429 -8.767 -3.601 97 H CYS 16 H CYS 16 6.668 -8.971 -3.390 98 HA CYS 16 HA CYS 16 6.560 -11.739 -3.743 99 HB2 CYS 16 HB2 CYS 16 5.256 -9.760 -2.089 100 HB3 CYS 16 HB3 CYS 16 4.105 -10.988 -2.607 101 H CYS 17 H CYS 17 4.641 -9.162 -5.152 102 HA CYS 17 HA CYS 17 2.610 -10.807 -6.252 103 HB2 CYS 17 HB2 CYS 17 3.385 -8.002 -6.354 104 HB3 CYS 17 HB3 CYS 17 2.789 -8.581 -7.906 105 HN1 NH2 18 H1 NH2 18 2.470 -11.872 -8.155 106 HN2 NH2 18 H2 NH2 18 3.694 -12.008 -9.337 Start of MODEL 9 1 H1 ASP 1 H ASP 1 3.282 1.869 -0.809 2 HA ASP 1 HA ASP 1 1.420 -0.223 -0.545 3 HB2 ASP 1 HB2 ASP 1 2.838 0.769 -3.028 4 HB3 ASP 1 HB3 ASP 1 1.407 -0.258 -3.014 5 H CYS 2 H CYS 2 1.499 -2.390 -1.184 6 HA CYS 2 HA CYS 2 3.921 -3.603 -2.114 7 HB2 CYS 2 HB2 CYS 2 3.896 -5.150 0.027 8 HB3 CYS 2 HB3 CYS 2 4.793 -3.635 0.017 9 H CYS 3 H CYS 3 3.602 -6.180 -1.592 10 HA CYS 3 HA CYS 3 0.812 -6.820 -2.281 11 HB2 CYS 3 HB2 CYS 3 2.434 -6.840 -4.254 12 HB3 CYS 3 HB3 CYS 3 3.183 -8.238 -3.490 13 HA HYP 4 HA HYP 4 2.263 -8.030 1.482 14 HB2 HYP 4 HB2 HYP 4 0.488 -7.695 2.943 15 HB3 HYP 4 HB3 HYP 4 -0.582 -8.787 2.055 16 HG HYP 4 HG HYP 4 -1.395 -6.740 1.265 17 HD22 HYP 4 HD2 HYP 4 -0.784 -7.371 -0.885 18 HD23 HYP 4 HD3 HYP 4 0.566 -6.249 -0.699 19 HD1 HYP 4 HOD HYP 4 1.042 -5.529 1.008 20 H CYS 5 H CYS 5 3.489 -9.772 1.733 21 HA CYS 5 HA CYS 5 2.300 -12.442 1.615 22 HB2 CYS 5 HB2 CYS 5 5.052 -11.346 1.352 23 HB3 CYS 5 HB3 CYS 5 4.895 -12.963 2.031 24 HA HYP 6 HA HYP 6 1.289 -13.330 5.069 25 HB2 HYP 6 HB2 HYP 6 1.292 -15.635 5.367 26 HB3 HYP 6 HB3 HYP 6 3.057 -15.725 5.441 27 HG HYP 6 HG HYP 6 2.736 -16.433 3.234 28 HD22 HYP 6 HD2 HYP 6 3.963 -14.599 2.508 29 HD23 HYP 6 HD3 HYP 6 2.412 -13.904 2.033 30 HD1 HYP 6 HOD HYP 6 0.754 -14.649 2.631 31 H ALA 7 H ALA 7 4.484 -12.591 5.467 32 HA ALA 7 HA ALA 7 4.698 -13.096 8.303 33 HB1 ALA 7 HB1 ALA 7 6.602 -13.013 6.542 34 HB2 ALA 7 HB2 ALA 7 6.529 -11.270 6.803 35 HB3 ALA 7 HB3 ALA 7 6.881 -12.350 8.152 36 H GLY 8 H GLY 8 4.218 -10.280 6.198 37 HA2 GLY 8 HA2 GLY 8 2.937 -8.388 6.726 38 HA3 GLY 8 HA3 GLY 8 2.926 -8.891 8.409 39 H ALA 9 H ALA 9 5.839 -9.263 8.477 40 HA ALA 9 HA ALA 9 6.552 -6.627 9.267 41 HB1 ALA 9 HB1 ALA 9 7.959 -9.252 9.145 42 HB2 ALA 9 HB2 ALA 9 8.902 -7.779 9.380 43 HB3 ALA 9 HB3 ALA 9 7.636 -8.209 10.530 44 H VAL 10 H VAL 10 8.574 -8.597 7.137 45 HA VAL 10 HA VAL 10 8.979 -6.220 5.452 46 HB VAL 10 HB VAL 10 10.751 -8.657 5.591 47 HG11 VAL 10 HG11 VAL 10 12.122 -6.295 4.852 48 HG12 VAL 10 HG12 VAL 10 11.799 -7.726 3.870 49 HG13 VAL 10 HG13 VAL 10 10.655 -6.383 3.879 50 HG21 VAL 10 HG21 VAL 10 11.077 -6.029 7.035 51 HG22 VAL 10 HG22 VAL 10 10.641 -7.564 7.786 52 HG23 VAL 10 HG23 VAL 10 12.226 -7.368 7.036 53 H ARG 11 H ARG 11 7.432 -9.186 5.499 54 HA ARG 11 HA ARG 11 7.818 -10.096 2.857 55 HB2 ARG 11 HB2 ARG 11 5.881 -10.619 5.040 56 HB3 ARG 11 HB3 ARG 11 5.354 -11.026 3.412 57 HG2 ARG 11 HG2 ARG 11 7.844 -12.041 4.768 58 HG3 ARG 11 HG3 ARG 11 6.347 -12.944 4.526 59 HD2 ARG 11 HD2 ARG 11 7.065 -11.952 2.005 60 HD3 ARG 11 HD3 ARG 11 8.557 -12.551 2.729 61 HE ARG 11 HE ARG 11 6.419 -14.115 1.726 62 HH11 ARG 11 HH11 ARG 11 8.772 -13.994 4.290 63 HH12 ARG 11 HH12 ARG 11 8.822 -15.713 4.501 64 HH21 ARG 11 HH21 ARG 11 6.476 -16.379 1.996 65 HH22 ARG 11 HH22 ARG 11 7.516 -17.069 3.195 66 H CYS 12 H CYS 12 6.238 -7.365 4.040 67 HA CYS 12 HA CYS 12 4.198 -7.184 2.023 68 HB2 CYS 12 HB2 CYS 12 4.254 -6.102 4.394 69 HB3 CYS 12 HB3 CYS 12 5.197 -4.839 3.608 70 H ARG 13 H ARG 13 5.727 -7.577 0.222 71 HA ARG 13 HA ARG 13 6.824 -5.022 -0.729 72 HB2 ARG 13 HB2 ARG 13 8.163 -7.721 -0.994 73 HB3 ARG 13 HB3 ARG 13 8.725 -6.230 -1.738 74 HG2 ARG 13 HG2 ARG 13 9.378 -5.313 0.294 75 HG3 ARG 13 HG3 ARG 13 8.371 -6.423 1.226 76 HD2 ARG 13 HD2 ARG 13 10.685 -7.058 1.459 77 HD3 ARG 13 HD3 ARG 13 9.834 -8.284 0.520 78 HE ARG 13 HE ARG 13 10.903 -6.564 -1.332 79 HH11 ARG 13 HH11 ARG 13 12.136 -8.556 1.243 80 HH12 ARG 13 HH12 ARG 13 13.665 -8.829 0.476 81 HH21 ARG 13 HH21 ARG 13 12.913 -6.916 -2.353 82 HH22 ARG 13 HH22 ARG 13 14.106 -7.895 -1.569 83 H PHE 14 H PHE 14 6.727 -4.685 -2.962 84 HA PHE 14 HA PHE 14 4.520 -5.834 -4.280 85 HB2 PHE 14 HB2 PHE 14 5.681 -3.542 -4.657 86 HB3 PHE 14 HB3 PHE 14 6.739 -4.434 -5.745 87 HD1 PHE 14 HD1 PHE 14 5.749 -5.614 -7.713 88 HD2 PHE 14 HD2 PHE 14 3.513 -2.907 -5.307 89 HE1 PHE 14 HE1 PHE 14 4.086 -5.393 -9.513 90 HE2 PHE 14 HE2 PHE 14 1.846 -2.683 -7.102 91 HZ PHE 14 HZ PHE 14 2.131 -3.928 -9.208 92 H ALA 15 H ALA 15 7.898 -6.649 -4.208 93 HA ALA 15 HA ALA 15 8.197 -8.112 -6.539 94 HB1 ALA 15 HB1 ALA 15 10.213 -8.095 -5.574 95 HB2 ALA 15 HB2 ALA 15 9.536 -7.982 -3.949 96 HB3 ALA 15 HB3 ALA 15 9.673 -9.552 -4.739 97 H CYS 16 H CYS 16 6.622 -8.997 -3.532 98 HA CYS 16 HA CYS 16 6.419 -11.754 -3.887 99 HB2 CYS 16 HB2 CYS 16 5.249 -9.753 -2.177 100 HB3 CYS 16 HB3 CYS 16 4.016 -10.905 -2.680 101 H CYS 17 H CYS 17 4.546 -9.128 -5.257 102 HA CYS 17 HA CYS 17 2.421 -10.700 -6.276 103 HB2 CYS 17 HB2 CYS 17 3.284 -7.935 -6.404 104 HB3 CYS 17 HB3 CYS 17 2.692 -8.489 -7.967 105 HN1 NH2 18 H1 NH2 18 2.517 -12.183 -7.816 106 HN2 NH2 18 H2 NH2 18 3.579 -12.249 -9.151 Start of MODEL 10 1 H1 ASP 1 H ASP 1 3.492 1.468 -0.120 2 HA ASP 1 HA ASP 1 1.224 -0.267 -0.749 3 HB2 ASP 1 HB2 ASP 1 3.179 1.268 -2.458 4 HB3 ASP 1 HB3 ASP 1 2.068 0.081 -3.136 5 H CYS 2 H CYS 2 1.421 -2.387 -1.091 6 HA CYS 2 HA CYS 2 3.836 -3.588 -2.053 7 HB2 CYS 2 HB2 CYS 2 3.840 -5.143 0.083 8 HB3 CYS 2 HB3 CYS 2 4.733 -3.626 0.067 9 H CYS 3 H CYS 3 3.531 -6.168 -1.537 10 HA CYS 3 HA CYS 3 0.735 -6.814 -2.195 11 HB2 CYS 3 HB2 CYS 3 2.338 -6.823 -4.186 12 HB3 CYS 3 HB3 CYS 3 3.093 -8.226 -3.436 13 HA HYP 4 HA HYP 4 2.234 -8.033 1.547 14 HB2 HYP 4 HB2 HYP 4 0.475 -7.708 3.030 15 HB3 HYP 4 HB3 HYP 4 -0.603 -8.800 2.150 16 HG HYP 4 HG HYP 4 -1.430 -6.753 1.377 17 HD22 HYP 4 HD2 HYP 4 -0.843 -7.375 -0.782 18 HD23 HYP 4 HD3 HYP 4 0.506 -6.249 -0.609 19 HD1 HYP 4 HOD HYP 4 1.000 -5.533 1.096 20 H CYS 5 H CYS 5 3.468 -9.772 1.776 21 HA CYS 5 HA CYS 5 2.285 -12.445 1.663 22 HB2 CYS 5 HB2 CYS 5 5.029 -11.340 1.371 23 HB3 CYS 5 HB3 CYS 5 4.886 -12.959 2.047 24 HA HYP 6 HA HYP 6 1.317 -13.349 5.126 25 HB2 HYP 6 HB2 HYP 6 1.332 -15.655 5.415 26 HB3 HYP 6 HB3 HYP 6 3.097 -15.740 5.468 27 HG HYP 6 HG HYP 6 2.754 -16.441 3.263 28 HD22 HYP 6 HD2 HYP 6 3.966 -14.600 2.529 29 HD23 HYP 6 HD3 HYP 6 2.407 -13.909 2.074 30 HD1 HYP 6 HOD HYP 6 0.759 -14.662 2.689 31 H ALA 7 H ALA 7 4.514 -12.601 5.489 32 HA ALA 7 HA ALA 7 4.763 -13.114 8.321 33 HB1 ALA 7 HB1 ALA 7 6.571 -11.277 6.807 34 HB2 ALA 7 HB2 ALA 7 6.942 -12.362 8.148 35 HB3 ALA 7 HB3 ALA 7 6.646 -13.019 6.538 36 H GLY 8 H GLY 8 4.250 -10.293 6.230 37 HA2 GLY 8 HA2 GLY 8 2.971 -8.406 6.778 38 HA3 GLY 8 HA3 GLY 8 2.980 -8.915 8.460 39 H ALA 9 H ALA 9 5.894 -9.278 8.495 40 HA ALA 9 HA ALA 9 6.609 -6.643 9.284 41 HB1 ALA 9 HB1 ALA 9 8.901 -7.665 9.563 42 HB2 ALA 9 HB2 ALA 9 7.599 -8.430 10.475 43 HB3 ALA 9 HB3 ALA 9 8.198 -9.180 8.996 44 H VAL 10 H VAL 10 8.612 -8.601 7.125 45 HA VAL 10 HA VAL 10 8.991 -6.217 5.443 46 HB VAL 10 HB VAL 10 10.771 -8.651 5.554 47 HG11 VAL 10 HG11 VAL 10 12.130 -6.286 4.805 48 HG12 VAL 10 HG12 VAL 10 11.794 -7.713 3.822 49 HG13 VAL 10 HG13 VAL 10 10.649 -6.370 3.851 50 HG21 VAL 10 HG21 VAL 10 12.259 -7.362 6.984 51 HG22 VAL 10 HG22 VAL 10 11.111 -6.024 7.001 52 HG23 VAL 10 HG23 VAL 10 10.684 -7.561 7.752 53 H ARG 11 H ARG 11 7.453 -9.188 5.498 54 HA ARG 11 HA ARG 11 7.811 -10.088 2.848 55 HB2 ARG 11 HB2 ARG 11 5.901 -10.624 5.052 56 HB3 ARG 11 HB3 ARG 11 5.356 -11.028 3.429 57 HG2 ARG 11 HG2 ARG 11 7.865 -12.039 4.753 58 HG3 ARG 11 HG3 ARG 11 6.368 -12.945 4.525 59 HD2 ARG 11 HD2 ARG 11 7.055 -11.943 1.999 60 HD3 ARG 11 HD3 ARG 11 8.557 -12.541 2.704 61 HE ARG 11 HE ARG 11 6.411 -14.106 1.721 62 HH11 ARG 11 HH11 ARG 11 8.792 -13.989 4.257 63 HH12 ARG 11 HH12 ARG 11 8.849 -15.708 4.462 64 HH21 ARG 11 HH21 ARG 11 6.476 -16.371 1.981 65 HH22 ARG 11 HH22 ARG 11 7.531 -17.063 3.166 66 H CYS 12 H CYS 12 6.236 -7.365 4.060 67 HA CYS 12 HA CYS 12 4.172 -7.184 2.068 68 HB2 CYS 12 HB2 CYS 12 4.253 -6.110 4.442 69 HB3 CYS 12 HB3 CYS 12 5.183 -4.842 3.650 70 H ARG 13 H ARG 13 5.682 -7.566 0.248 71 HA ARG 13 HA ARG 13 6.760 -5.004 -0.706 72 HB2 ARG 13 HB2 ARG 13 8.103 -7.699 -0.991 73 HB3 ARG 13 HB3 ARG 13 8.651 -6.208 -1.746 74 HG2 ARG 13 HG2 ARG 13 9.323 -5.282 0.279 75 HG3 ARG 13 HG3 ARG 13 8.340 -6.403 1.224 76 HD2 ARG 13 HD2 ARG 13 10.665 -7.015 1.418 77 HD3 ARG 13 HD3 ARG 13 9.809 -8.250 0.495 78 HE ARG 13 HE ARG 13 10.823 -6.537 -1.385 79 HH11 ARG 13 HH11 ARG 13 12.143 -8.459 1.200 80 HH12 ARG 13 HH12 ARG 13 13.667 -8.705 0.414 81 HH21 ARG 13 HH21 ARG 13 12.825 -6.855 -2.431 82 HH22 ARG 13 HH22 ARG 13 14.054 -7.792 -1.651 83 H PHE 14 H PHE 14 6.637 -4.660 -2.937 84 HA PHE 14 HA PHE 14 4.417 -5.811 -4.234 85 HB2 PHE 14 HB2 PHE 14 5.229 -3.538 -4.721 86 HB3 PHE 14 HB3 PHE 14 6.693 -4.214 -5.428 87 HD1 PHE 14 HD1 PHE 14 6.700 -3.921 -7.699 88 HD2 PHE 14 HD2 PHE 14 3.065 -5.018 -5.776 89 HE1 PHE 14 HE1 PHE 14 5.585 -4.049 -9.888 90 HE2 PHE 14 HE2 PHE 14 1.944 -5.148 -7.962 91 HZ PHE 14 HZ PHE 14 3.204 -4.665 -10.022 92 H ALA 15 H ALA 15 7.796 -6.620 -4.200 93 HA ALA 15 HA ALA 15 8.074 -8.073 -6.541 94 HB1 ALA 15 HB1 ALA 15 9.824 -9.357 -5.325 95 HB2 ALA 15 HB2 ALA 15 9.977 -7.607 -5.158 96 HB3 ALA 15 HB3 ALA 15 9.308 -8.564 -3.836 97 H CYS 16 H CYS 16 6.532 -8.974 -3.521 98 HA CYS 16 HA CYS 16 6.328 -11.729 -3.887 99 HB2 CYS 16 HB2 CYS 16 5.169 -9.736 -2.157 100 HB3 CYS 16 HB3 CYS 16 3.939 -10.896 -2.648 101 H CYS 17 H CYS 17 4.439 -9.098 -5.224 102 HA CYS 17 HA CYS 17 2.304 -10.668 -6.228 103 HB2 CYS 17 HB2 CYS 17 3.161 -7.901 -6.350 104 HB3 CYS 17 HB3 CYS 17 2.554 -8.447 -7.910 105 HN1 NH2 18 H1 NH2 18 1.844 -11.124 -8.483 106 HN2 NH2 18 H2 NH2 18 3.085 -11.544 -9.579 Start of MODEL 11 1 H1 ASP 1 H ASP 1 2.711 1.459 0.429 2 HA ASP 1 HA ASP 1 1.081 -0.272 -1.096 3 HB2 ASP 1 HB2 ASP 1 1.991 1.935 -1.870 4 HB3 ASP 1 HB3 ASP 1 3.570 1.170 -2.026 5 H CYS 2 H CYS 2 1.326 -2.412 -1.063 6 HA CYS 2 HA CYS 2 3.747 -3.593 -2.036 7 HB2 CYS 2 HB2 CYS 2 3.775 -5.148 0.099 8 HB3 CYS 2 HB3 CYS 2 4.653 -3.623 0.080 9 H CYS 3 H CYS 3 3.466 -6.175 -1.518 10 HA CYS 3 HA CYS 3 0.673 -6.846 -2.164 11 HB2 CYS 3 HB2 CYS 3 2.270 -6.841 -4.161 12 HB3 CYS 3 HB3 CYS 3 3.036 -8.239 -3.415 13 HA HYP 4 HA HYP 4 2.199 -8.051 1.571 14 HB2 HYP 4 HB2 HYP 4 0.444 -7.741 3.062 15 HB3 HYP 4 HB3 HYP 4 -0.628 -8.842 2.187 16 HG HYP 4 HG HYP 4 -1.476 -6.802 1.418 17 HD22 HYP 4 HD2 HYP 4 -0.893 -7.420 -0.744 18 HD23 HYP 4 HD3 HYP 4 0.446 -6.282 -0.577 19 HD1 HYP 4 HOD HYP 4 0.942 -5.562 1.125 20 H CYS 5 H CYS 5 3.450 -9.780 1.793 21 HA CYS 5 HA CYS 5 2.289 -12.463 1.686 22 HB2 CYS 5 HB2 CYS 5 5.025 -11.335 1.386 23 HB3 CYS 5 HB3 CYS 5 4.893 -12.959 2.055 24 HA HYP 6 HA HYP 6 1.344 -13.372 5.154 25 HB2 HYP 6 HB2 HYP 6 1.376 -15.678 5.443 26 HB3 HYP 6 HB3 HYP 6 3.142 -15.750 5.487 27 HG HYP 6 HG HYP 6 2.793 -16.454 3.284 28 HD22 HYP 6 HD2 HYP 6 3.988 -14.605 2.544 29 HD23 HYP 6 HD3 HYP 6 2.422 -13.924 2.097 30 HD1 HYP 6 HOD HYP 6 0.782 -14.689 2.720 31 H ALA 7 H ALA 7 4.537 -12.602 5.501 32 HA ALA 7 HA ALA 7 4.805 -13.114 8.331 33 HB1 ALA 7 HB1 ALA 7 6.676 -13.002 6.538 34 HB2 ALA 7 HB2 ALA 7 6.589 -11.261 6.809 35 HB3 ALA 7 HB3 ALA 7 6.976 -12.343 8.146 36 H GLY 8 H GLY 8 4.257 -10.295 6.246 37 HA2 GLY 8 HA2 GLY 8 2.965 -8.419 6.802 38 HA3 GLY 8 HA3 GLY 8 2.986 -8.930 8.484 39 H ALA 9 H ALA 9 5.904 -9.270 8.503 40 HA ALA 9 HA ALA 9 6.601 -6.630 9.294 41 HB1 ALA 9 HB1 ALA 9 8.224 -9.145 8.981 42 HB2 ALA 9 HB2 ALA 9 8.895 -7.626 9.577 43 HB3 ALA 9 HB3 ALA 9 7.604 -8.429 10.469 44 H VAL 10 H VAL 10 8.606 -8.568 7.118 45 HA VAL 10 HA VAL 10 8.955 -6.177 5.439 46 HB VAL 10 HB VAL 10 10.760 -8.593 5.541 47 HG11 VAL 10 HG11 VAL 10 10.607 -6.311 3.839 48 HG12 VAL 10 HG12 VAL 10 12.097 -6.221 4.782 49 HG13 VAL 10 HG13 VAL 10 11.758 -7.647 3.799 50 HG21 VAL 10 HG21 VAL 10 12.243 -7.286 6.961 51 HG22 VAL 10 HG22 VAL 10 11.078 -5.962 6.985 52 HG23 VAL 10 HG23 VAL 10 10.675 -7.505 7.739 53 H ARG 11 H ARG 11 7.447 -9.163 5.498 54 HA ARG 11 HA ARG 11 7.801 -10.057 2.846 55 HB2 ARG 11 HB2 ARG 11 5.906 -10.613 5.057 56 HB3 ARG 11 HB3 ARG 11 5.358 -11.020 3.437 57 HG2 ARG 11 HG2 ARG 11 7.882 -12.009 4.749 58 HG3 ARG 11 HG3 ARG 11 6.393 -12.929 4.527 59 HD2 ARG 11 HD2 ARG 11 7.061 -11.917 1.999 60 HD3 ARG 11 HD3 ARG 11 8.569 -12.506 2.697 61 HE ARG 11 HE ARG 11 6.431 -14.084 1.718 62 HH11 ARG 11 HH11 ARG 11 8.818 -13.955 4.249 63 HH12 ARG 11 HH12 ARG 11 8.886 -15.675 4.451 64 HH21 ARG 11 HH21 ARG 11 6.511 -16.349 1.975 65 HH22 ARG 11 HH22 ARG 11 7.574 -17.035 3.157 66 H CYS 12 H CYS 12 6.207 -7.350 4.067 67 HA CYS 12 HA CYS 12 4.132 -7.187 2.083 68 HB2 CYS 12 HB2 CYS 12 4.212 -6.114 4.457 69 HB3 CYS 12 HB3 CYS 12 5.130 -4.837 3.664 70 H ARG 13 H ARG 13 5.635 -7.553 0.256 71 HA ARG 13 HA ARG 13 6.684 -4.981 -0.703 72 HB2 ARG 13 HB2 ARG 13 8.055 -7.655 -1.043 73 HB3 ARG 13 HB3 ARG 13 8.599 -6.125 -1.719 74 HG2 ARG 13 HG2 ARG 13 9.250 -5.296 0.347 75 HG3 ARG 13 HG3 ARG 13 8.244 -6.444 1.232 76 HD2 ARG 13 HD2 ARG 13 10.580 -7.056 1.431 77 HD3 ARG 13 HD3 ARG 13 9.711 -8.272 0.494 78 HE ARG 13 HE ARG 13 10.776 -6.473 -1.323 79 HH11 ARG 13 HH11 ARG 13 11.944 -8.710 1.075 80 HH12 ARG 13 HH12 ARG 13 13.431 -9.026 0.245 81 HH21 ARG 13 HH21 ARG 13 12.730 -6.881 -2.426 82 HH22 ARG 13 HH22 ARG 13 13.878 -7.984 -1.746 83 H PHE 14 H PHE 14 6.553 -4.642 -2.935 84 HA PHE 14 HA PHE 14 4.338 -5.808 -4.223 85 HB2 PHE 14 HB2 PHE 14 5.122 -3.538 -4.731 86 HB3 PHE 14 HB3 PHE 14 6.606 -4.196 -5.412 87 HD1 PHE 14 HD1 PHE 14 6.675 -5.062 -7.617 88 HD2 PHE 14 HD2 PHE 14 2.965 -3.913 -5.876 89 HE1 PHE 14 HE1 PHE 14 5.594 -5.223 -9.821 90 HE2 PHE 14 HE2 PHE 14 1.878 -4.073 -8.077 91 HZ PHE 14 HZ PHE 14 3.192 -4.729 -10.053 92 H ALA 15 H ALA 15 7.725 -6.595 -4.207 93 HA ALA 15 HA ALA 15 8.011 -8.054 -6.536 94 HB1 ALA 15 HB1 ALA 15 9.832 -7.514 -4.945 95 HB2 ALA 15 HB2 ALA 15 9.219 -8.769 -3.868 96 HB3 ALA 15 HB3 ALA 15 9.834 -9.200 -5.463 97 H CYS 16 H CYS 16 6.458 -8.963 -3.522 98 HA CYS 16 HA CYS 16 6.251 -11.717 -3.903 99 HB2 CYS 16 HB2 CYS 16 5.058 -9.719 -2.183 100 HB3 CYS 16 HB3 CYS 16 3.867 -10.926 -2.655 101 H CYS 17 H CYS 17 4.372 -9.077 -5.233 102 HA CYS 17 HA CYS 17 2.243 -10.654 -6.254 103 HB2 CYS 17 HB2 CYS 17 3.073 -7.873 -6.334 104 HB3 CYS 17 HB3 CYS 17 2.454 -8.404 -7.895 105 HN1 NH2 18 H1 NH2 18 4.910 -9.034 -7.991 106 HN2 NH2 18 H2 NH2 18 5.046 -10.145 -9.280 Start of MODEL 12 1 H1 ASP 1 H ASP 1 3.736 0.804 0.373 2 HA ASP 1 HA ASP 1 1.370 -0.290 -0.973 3 HB2 ASP 1 HB2 ASP 1 3.560 1.355 -2.221 4 HB3 ASP 1 HB3 ASP 1 2.622 0.209 -3.174 5 H CYS 2 H CYS 2 1.563 -2.414 -1.142 6 HA CYS 2 HA CYS 2 3.970 -3.657 -2.072 7 HB2 CYS 2 HB2 CYS 2 3.928 -5.201 0.070 8 HB3 CYS 2 HB3 CYS 2 4.843 -3.697 0.058 9 H CYS 3 H CYS 3 3.619 -6.229 -1.545 10 HA CYS 3 HA CYS 3 0.821 -6.836 -2.232 11 HB2 CYS 3 HB2 CYS 3 2.470 -6.880 -4.197 12 HB3 CYS 3 HB3 CYS 3 3.157 -8.311 -3.435 13 HA HYP 4 HA HYP 4 2.259 -8.057 1.533 14 HB2 HYP 4 HB2 HYP 4 0.488 -7.698 2.994 15 HB3 HYP 4 HB3 HYP 4 -0.596 -8.778 2.108 16 HG HYP 4 HG HYP 4 -1.384 -6.723 1.315 17 HD22 HYP 4 HD2 HYP 4 -0.781 -7.365 -0.835 18 HD23 HYP 4 HD3 HYP 4 0.582 -6.259 -0.651 19 HD1 HYP 4 HOD HYP 4 1.068 -5.542 1.055 20 H CYS 5 H CYS 5 3.466 -9.817 1.767 21 HA CYS 5 HA CYS 5 2.243 -12.471 1.660 22 HB2 CYS 5 HB2 CYS 5 5.006 -11.408 1.390 23 HB3 CYS 5 HB3 CYS 5 4.833 -13.021 2.074 24 HA HYP 6 HA HYP 6 1.228 -13.346 5.117 25 HB2 HYP 6 HB2 HYP 6 1.206 -15.650 5.416 26 HB3 HYP 6 HB3 HYP 6 2.969 -15.760 5.488 27 HG HYP 6 HG HYP 6 2.638 -16.467 3.282 28 HD22 HYP 6 HD2 HYP 6 3.884 -14.647 2.553 29 HD23 HYP 6 HD3 HYP 6 2.340 -13.935 2.079 30 HD1 HYP 6 HOD HYP 6 0.675 -14.661 2.681 31 H ALA 7 H ALA 7 4.431 -12.640 5.509 32 HA ALA 7 HA ALA 7 4.643 -13.145 8.346 33 HB1 ALA 7 HB1 ALA 7 6.545 -13.088 6.583 34 HB2 ALA 7 HB2 ALA 7 6.495 -11.344 6.841 35 HB3 ALA 7 HB3 ALA 7 6.835 -12.426 8.191 36 H GLY 8 H GLY 8 4.195 -10.326 6.237 37 HA2 GLY 8 HA2 GLY 8 2.937 -8.418 6.763 38 HA3 GLY 8 HA3 GLY 8 2.923 -8.919 8.448 39 H ALA 9 H ALA 9 5.831 -9.325 8.510 40 HA ALA 9 HA ALA 9 6.577 -6.694 9.291 41 HB1 ALA 9 HB1 ALA 9 8.910 -7.865 9.419 42 HB2 ALA 9 HB2 ALA 9 7.634 -8.296 10.558 43 HB3 ALA 9 HB3 ALA 9 7.964 -9.333 9.170 44 H VAL 10 H VAL 10 8.574 -8.698 7.168 45 HA VAL 10 HA VAL 10 9.012 -6.332 5.476 46 HB VAL 10 HB VAL 10 10.741 -8.801 5.626 47 HG11 VAL 10 HG11 VAL 10 12.431 -7.175 4.667 48 HG12 VAL 10 HG12 VAL 10 11.122 -7.665 3.589 49 HG13 VAL 10 HG13 VAL 10 11.075 -6.086 4.374 50 HG21 VAL 10 HG21 VAL 10 10.657 -7.675 7.806 51 HG22 VAL 10 HG22 VAL 10 12.244 -7.526 7.052 52 HG23 VAL 10 HG23 VAL 10 11.128 -6.161 7.035 53 H ARG 11 H ARG 11 7.431 -9.287 5.531 54 HA ARG 11 HA ARG 11 7.791 -10.200 2.888 55 HB2 ARG 11 HB2 ARG 11 5.853 -10.693 5.077 56 HB3 ARG 11 HB3 ARG 11 5.316 -11.095 3.452 57 HG2 ARG 11 HG2 ARG 11 7.794 -12.143 4.804 58 HG3 ARG 11 HG3 ARG 11 6.285 -13.025 4.564 59 HD2 ARG 11 HD2 ARG 11 7.013 -12.045 2.042 60 HD3 ARG 11 HD3 ARG 11 8.498 -12.662 2.764 61 HE ARG 11 HE ARG 11 6.338 -14.199 1.767 62 HH11 ARG 11 HH11 ARG 11 8.699 -14.108 4.323 63 HH12 ARG 11 HH12 ARG 11 8.728 -15.827 4.536 64 HH21 ARG 11 HH21 ARG 11 6.367 -16.464 2.037 65 HH22 ARG 11 HH22 ARG 11 7.402 -17.166 3.234 66 H CYS 12 H CYS 12 6.245 -7.449 4.080 67 HA CYS 12 HA CYS 12 4.206 -7.241 2.063 68 HB2 CYS 12 HB2 CYS 12 4.273 -6.165 4.435 69 HB3 CYS 12 HB3 CYS 12 5.234 -4.913 3.656 70 H ARG 13 H ARG 13 5.735 -7.649 0.264 71 HA ARG 13 HA ARG 13 6.858 -5.104 -0.684 72 HB2 ARG 13 HB2 ARG 13 8.170 -7.816 -0.943 73 HB3 ARG 13 HB3 ARG 13 8.746 -6.335 -1.697 74 HG2 ARG 13 HG2 ARG 13 9.326 -5.383 0.376 75 HG3 ARG 13 HG3 ARG 13 8.424 -6.605 1.275 76 HD2 ARG 13 HD2 ARG 13 10.922 -6.891 1.272 77 HD3 ARG 13 HD3 ARG 13 9.999 -8.292 0.731 78 HE ARG 13 HE ARG 13 10.910 -8.052 -1.364 79 HH11 ARG 13 HH11 ARG 13 11.569 -5.206 0.530 80 HH12 ARG 13 HH12 ARG 13 12.678 -4.538 -0.622 81 HH21 ARG 13 HH21 ARG 13 12.367 -7.182 -2.888 82 HH22 ARG 13 HH22 ARG 13 13.130 -5.662 -2.566 83 H PHE 14 H PHE 14 6.778 -4.771 -2.922 84 HA PHE 14 HA PHE 14 4.556 -5.887 -4.243 85 HB2 PHE 14 HB2 PHE 14 5.578 -3.616 -4.668 86 HB3 PHE 14 HB3 PHE 14 6.857 -4.437 -5.557 87 HD1 PHE 14 HD1 PHE 14 3.213 -3.815 -5.477 88 HD2 PHE 14 HD2 PHE 14 6.548 -5.104 -7.786 89 HE1 PHE 14 HE1 PHE 14 1.821 -3.770 -7.506 90 HE2 PHE 14 HE2 PHE 14 5.163 -5.060 -9.818 91 HZ PHE 14 HZ PHE 14 2.796 -4.392 -9.680 92 H ALA 15 H ALA 15 7.917 -6.763 -4.154 93 HA ALA 15 HA ALA 15 8.207 -8.233 -6.480 94 HB1 ALA 15 HB1 ALA 15 9.582 -9.690 -4.548 95 HB2 ALA 15 HB2 ALA 15 10.217 -8.380 -5.544 96 HB3 ALA 15 HB3 ALA 15 9.566 -8.033 -3.943 97 H CYS 16 H CYS 16 6.589 -9.092 -3.487 98 HA CYS 16 HA CYS 16 6.326 -11.843 -3.863 99 HB2 CYS 16 HB2 CYS 16 5.182 -9.822 -2.147 100 HB3 CYS 16 HB3 CYS 16 3.947 -10.974 -2.644 101 H CYS 17 H CYS 17 4.530 -9.163 -5.223 102 HA CYS 17 HA CYS 17 2.366 -10.679 -6.254 103 HB2 CYS 17 HB2 CYS 17 3.280 -7.931 -6.342 104 HB3 CYS 17 HB3 CYS 17 2.692 -8.451 -7.918 105 HN1 NH2 18 H1 NH2 18 1.941 -11.259 -8.441 106 HN2 NH2 18 H2 NH2 18 3.179 -11.646 -9.552 Start of MODEL 13 1 H1 ASP 1 H ASP 1 3.768 0.790 0.518 2 HA ASP 1 HA ASP 1 1.404 -0.092 -0.934 3 HB2 ASP 1 HB2 ASP 1 2.175 1.979 -2.086 4 HB3 ASP 1 HB3 ASP 1 3.731 1.202 -2.369 5 H CYS 2 H CYS 2 1.551 -2.218 -1.116 6 HA CYS 2 HA CYS 2 3.921 -3.502 -2.083 7 HB2 CYS 2 HB2 CYS 2 3.869 -5.068 0.044 8 HB3 CYS 2 HB3 CYS 2 4.813 -3.582 0.038 9 H CYS 3 H CYS 3 3.519 -6.073 -1.574 10 HA CYS 3 HA CYS 3 0.702 -6.612 -2.238 11 HB2 CYS 3 HB2 CYS 3 3.144 -7.261 -3.765 12 HB3 CYS 3 HB3 CYS 3 1.994 -8.583 -3.594 13 HA HYP 4 HA HYP 4 2.150 -7.903 1.498 14 HB2 HYP 4 HB2 HYP 4 0.401 -7.522 2.980 15 HB3 HYP 4 HB3 HYP 4 -0.713 -8.571 2.093 16 HG HYP 4 HG HYP 4 -1.466 -6.492 1.329 17 HD22 HYP 4 HD2 HYP 4 -0.897 -7.124 -0.832 18 HD23 HYP 4 HD3 HYP 4 0.490 -6.048 -0.651 19 HD1 HYP 4 HOD HYP 4 1.007 -5.359 1.058 20 H CYS 5 H CYS 5 3.334 -9.703 1.612 21 HA CYS 5 HA CYS 5 2.061 -12.326 1.506 22 HB2 CYS 5 HB2 CYS 5 4.774 -11.278 1.098 23 HB3 CYS 5 HB3 CYS 5 4.722 -12.793 1.993 24 HA HYP 6 HA HYP 6 1.081 -13.343 4.927 25 HB2 HYP 6 HB2 HYP 6 1.139 -15.652 5.183 26 HB3 HYP 6 HB3 HYP 6 2.905 -15.701 5.269 27 HG HYP 6 HG HYP 6 2.619 -16.375 3.047 28 HD22 HYP 6 HD2 HYP 6 3.806 -14.499 2.366 29 HD23 HYP 6 HD3 HYP 6 2.242 -13.833 1.890 30 HD1 HYP 6 HOD HYP 6 0.598 -14.629 2.461 31 H ALA 7 H ALA 7 4.441 -12.968 5.388 32 HA ALA 7 HA ALA 7 4.581 -13.382 8.196 33 HB1 ALA 7 HB1 ALA 7 6.401 -11.556 6.660 34 HB2 ALA 7 HB2 ALA 7 6.761 -12.541 8.078 35 HB3 ALA 7 HB3 ALA 7 6.503 -13.311 6.513 36 H GLY 8 H GLY 8 4.102 -10.506 6.173 37 HA2 GLY 8 HA2 GLY 8 2.858 -8.611 6.743 38 HA3 GLY 8 HA3 GLY 8 2.789 -9.182 8.403 39 H ALA 9 H ALA 9 5.696 -9.595 8.538 40 HA ALA 9 HA ALA 9 6.422 -7.032 9.499 41 HB1 ALA 9 HB1 ALA 9 8.726 -8.103 9.680 42 HB2 ALA 9 HB2 ALA 9 7.416 -8.862 10.584 43 HB3 ALA 9 HB3 ALA 9 7.967 -9.571 9.066 44 H VAL 10 H VAL 10 8.404 -8.844 7.189 45 HA VAL 10 HA VAL 10 8.765 -6.345 5.670 46 HB VAL 10 HB VAL 10 10.800 -7.279 6.813 47 HG11 VAL 10 HG11 VAL 10 10.923 -9.358 4.676 48 HG12 VAL 10 HG12 VAL 10 11.739 -9.301 6.239 49 HG13 VAL 10 HG13 VAL 10 10.021 -9.688 6.154 50 HG21 VAL 10 HG21 VAL 10 11.119 -7.308 3.826 51 HG22 VAL 10 HG22 VAL 10 10.759 -5.826 4.712 52 HG23 VAL 10 HG23 VAL 10 12.244 -6.716 5.049 53 H ARG 11 H ARG 11 7.202 -9.225 5.538 54 HA ARG 11 HA ARG 11 7.755 -10.076 2.880 55 HB2 ARG 11 HB2 ARG 11 5.749 -10.728 4.970 56 HB3 ARG 11 HB3 ARG 11 5.319 -11.112 3.309 57 HG2 ARG 11 HG2 ARG 11 7.849 -12.030 4.655 58 HG3 ARG 11 HG3 ARG 11 6.369 -12.985 4.550 59 HD2 ARG 11 HD2 ARG 11 7.415 -13.786 2.701 60 HD3 ARG 11 HD3 ARG 11 6.640 -12.380 1.972 61 HE ARG 11 HE ARG 11 8.706 -11.403 1.717 62 HH11 ARG 11 HH11 ARG 11 8.972 -14.194 3.780 63 HH12 ARG 11 HH12 ARG 11 10.705 -14.198 3.771 64 HH21 ARG 11 HH21 ARG 11 10.987 -11.398 1.696 65 HH22 ARG 11 HH22 ARG 11 11.850 -12.607 2.586 66 H CYS 12 H CYS 12 6.209 -7.368 4.039 67 HA CYS 12 HA CYS 12 4.134 -7.176 2.052 68 HB2 CYS 12 HB2 CYS 12 4.189 -6.095 4.405 69 HB3 CYS 12 HB3 CYS 12 5.196 -4.862 3.653 70 H ARG 13 H ARG 13 5.580 -7.568 0.209 71 HA ARG 13 HA ARG 13 6.720 -5.038 -0.750 72 HB2 ARG 13 HB2 ARG 13 8.088 -7.632 -0.416 73 HB3 ARG 13 HB3 ARG 13 8.351 -6.838 -1.963 74 HG2 ARG 13 HG2 ARG 13 9.638 -5.238 -1.068 75 HG3 ARG 13 HG3 ARG 13 8.629 -5.090 0.373 76 HD2 ARG 13 HD2 ARG 13 10.807 -5.905 1.005 77 HD3 ARG 13 HD3 ARG 13 9.616 -7.185 1.233 78 HE ARG 13 HE ARG 13 10.601 -7.629 -1.266 79 HH11 ARG 13 HH11 ARG 13 12.017 -7.282 1.895 80 HH12 ARG 13 HH12 ARG 13 13.356 -8.327 1.553 81 HH21 ARG 13 HH21 ARG 13 12.359 -9.006 -1.729 82 HH22 ARG 13 HH22 ARG 13 13.550 -9.307 -0.509 83 H PHE 14 H PHE 14 6.639 -4.728 -3.002 84 HA PHE 14 HA PHE 14 4.374 -5.803 -4.282 85 HB2 PHE 14 HB2 PHE 14 5.472 -3.565 -4.742 86 HB3 PHE 14 HB3 PHE 14 6.691 -4.442 -5.661 87 HD1 PHE 14 HD1 PHE 14 3.213 -3.336 -5.564 88 HD2 PHE 14 HD2 PHE 14 6.155 -5.459 -7.788 89 HE1 PHE 14 HE1 PHE 14 1.764 -3.255 -7.551 90 HE2 PHE 14 HE2 PHE 14 4.712 -5.381 -9.779 91 HZ PHE 14 HZ PHE 14 2.514 -4.277 -9.662 92 H ALA 15 H ALA 15 7.712 -6.766 -4.224 93 HA ALA 15 HA ALA 15 7.841 -8.315 -6.547 94 HB1 ALA 15 HB1 ALA 15 9.278 -9.327 -4.173 95 HB2 ALA 15 HB2 ALA 15 9.868 -8.982 -5.799 96 HB3 ALA 15 HB3 ALA 15 9.620 -7.665 -4.653 97 H CYS 16 H CYS 16 6.507 -9.016 -3.380 98 HA CYS 16 HA CYS 16 6.279 -11.777 -3.509 99 HB2 CYS 16 HB2 CYS 16 5.749 -10.709 -1.456 100 HB3 CYS 16 HB3 CYS 16 4.531 -9.689 -2.215 101 H CYS 17 H CYS 17 4.288 -9.282 -4.977 102 HA CYS 17 HA CYS 17 2.118 -10.875 -5.761 103 HB2 CYS 17 HB2 CYS 17 3.111 -8.207 -6.313 104 HB3 CYS 17 HB3 CYS 17 2.430 -8.944 -7.760 105 HN1 NH2 18 H1 NH2 18 2.075 -12.559 -7.081 106 HN2 NH2 18 H2 NH2 18 3.081 -12.873 -8.424 Start of MODEL 14 1 H1 ASP 1 H ASP 1 3.934 1.041 -0.003 2 HA ASP 1 HA ASP 1 1.344 -0.113 -0.419 3 HB2 ASP 1 HB2 ASP 1 1.466 1.663 -2.197 4 HB3 ASP 1 HB3 ASP 1 2.841 0.799 -2.881 5 H CYS 2 H CYS 2 1.445 -2.264 -1.043 6 HA CYS 2 HA CYS 2 3.864 -3.464 -1.995 7 HB2 CYS 2 HB2 CYS 2 3.870 -5.029 0.125 8 HB3 CYS 2 HB3 CYS 2 4.743 -3.500 0.137 9 H CYS 3 H CYS 3 3.554 -6.045 -1.497 10 HA CYS 3 HA CYS 3 0.760 -6.686 -2.168 11 HB2 CYS 3 HB2 CYS 3 2.270 -6.685 -4.183 12 HB3 CYS 3 HB3 CYS 3 3.169 -8.000 -3.434 13 HA HYP 4 HA HYP 4 2.234 -7.935 1.568 14 HB2 HYP 4 HB2 HYP 4 0.461 -7.635 3.039 15 HB3 HYP 4 HB3 HYP 4 -0.602 -8.726 2.141 16 HG HYP 4 HG HYP 4 -1.436 -6.677 1.380 17 HD22 HYP 4 HD2 HYP 4 -0.827 -7.276 -0.780 18 HD23 HYP 4 HD3 HYP 4 0.513 -6.143 -0.585 19 HD1 HYP 4 HOD HYP 4 0.989 -5.440 1.129 20 H CYS 5 H CYS 5 3.491 -9.683 1.697 21 HA CYS 5 HA CYS 5 2.332 -12.358 1.564 22 HB2 CYS 5 HB2 CYS 5 5.000 -11.193 1.186 23 HB3 CYS 5 HB3 CYS 5 5.007 -12.709 2.081 24 HA HYP 6 HA HYP 6 1.359 -13.429 4.971 25 HB2 HYP 6 HB2 HYP 6 1.510 -15.735 5.218 26 HB3 HYP 6 HB3 HYP 6 3.276 -15.709 5.324 27 HG HYP 6 HG HYP 6 3.042 -16.386 3.096 28 HD22 HYP 6 HD2 HYP 6 4.157 -14.458 2.435 29 HD23 HYP 6 HD3 HYP 6 2.572 -13.857 1.945 30 HD1 HYP 6 HOD HYP 6 0.957 -14.724 2.495 31 H ALA 7 H ALA 7 4.494 -12.495 5.446 32 HA ALA 7 HA ALA 7 4.638 -13.021 8.293 33 HB1 ALA 7 HB1 ALA 7 6.491 -11.170 6.853 34 HB2 ALA 7 HB2 ALA 7 6.812 -12.242 8.216 35 HB3 ALA 7 HB3 ALA 7 6.602 -12.911 6.598 36 H GLY 8 H GLY 8 4.181 -10.227 6.153 37 HA2 GLY 8 HA2 GLY 8 2.851 -8.355 6.622 38 HA3 GLY 8 HA3 GLY 8 2.789 -8.848 8.308 39 H ALA 9 H ALA 9 5.695 -9.166 8.499 40 HA ALA 9 HA ALA 9 6.333 -6.503 9.273 41 HB1 ALA 9 HB1 ALA 9 7.815 -9.097 9.246 42 HB2 ALA 9 HB2 ALA 9 8.676 -7.590 9.563 43 HB3 ALA 9 HB3 ALA 9 7.348 -8.085 10.613 44 H VAL 10 H VAL 10 8.461 -8.501 7.271 45 HA VAL 10 HA VAL 10 8.957 -6.144 5.584 46 HB VAL 10 HB VAL 10 10.669 -8.619 5.824 47 HG11 VAL 10 HG11 VAL 10 11.743 -7.775 4.075 48 HG12 VAL 10 HG12 VAL 10 10.687 -6.361 4.062 49 HG13 VAL 10 HG13 VAL 10 12.151 -6.361 5.046 50 HG21 VAL 10 HG21 VAL 10 12.120 -7.347 7.283 51 HG22 VAL 10 HG22 VAL 10 11.054 -5.947 7.171 52 HG23 VAL 10 HG23 VAL 10 10.499 -7.416 7.973 53 H ARG 11 H ARG 11 7.388 -9.113 5.582 54 HA ARG 11 HA ARG 11 7.836 -9.978 2.927 55 HB2 ARG 11 HB2 ARG 11 5.863 -10.574 5.067 56 HB3 ARG 11 HB3 ARG 11 5.409 -10.996 3.422 57 HG2 ARG 11 HG2 ARG 11 7.874 -11.930 4.876 58 HG3 ARG 11 HG3 ARG 11 6.424 -12.883 4.554 59 HD2 ARG 11 HD2 ARG 11 7.336 -11.763 2.102 60 HD3 ARG 11 HD3 ARG 11 8.705 -12.524 2.910 61 HE ARG 11 HE ARG 11 6.321 -14.142 2.818 62 HH11 ARG 11 HH11 ARG 11 9.273 -13.251 1.203 63 HH12 ARG 11 HH12 ARG 11 9.363 -14.714 0.279 64 HH21 ARG 11 HH21 ARG 11 6.427 -16.072 1.606 65 HH22 ARG 11 HH22 ARG 11 7.743 -16.317 0.508 66 H CYS 12 H CYS 12 6.213 -7.293 4.135 67 HA CYS 12 HA CYS 12 4.169 -7.120 2.119 68 HB2 CYS 12 HB2 CYS 12 4.181 -6.071 4.494 69 HB3 CYS 12 HB3 CYS 12 5.142 -4.794 3.754 70 H ARG 13 H ARG 13 5.703 -7.467 0.314 71 HA ARG 13 HA ARG 13 6.759 -4.885 -0.608 72 HB2 ARG 13 HB2 ARG 13 8.175 -7.466 -1.223 73 HB3 ARG 13 HB3 ARG 13 8.774 -5.820 -1.382 74 HG2 ARG 13 HG2 ARG 13 8.720 -5.631 1.100 75 HG3 ARG 13 HG3 ARG 13 8.305 -7.346 1.167 76 HD2 ARG 13 HD2 ARG 13 10.828 -6.088 0.115 77 HD3 ARG 13 HD3 ARG 13 10.654 -7.181 1.487 78 HE ARG 13 HE ARG 13 9.732 -8.550 -0.732 79 HH11 ARG 13 HH11 ARG 13 12.716 -7.114 0.340 80 HH12 ARG 13 HH12 ARG 13 13.717 -8.229 -0.529 81 HH21 ARG 13 HH21 ARG 13 11.039 -10.025 -1.881 82 HH22 ARG 13 HH22 ARG 13 12.762 -9.884 -1.793 83 H PHE 14 H PHE 14 6.719 -4.561 -2.860 84 HA PHE 14 HA PHE 14 4.512 -5.691 -4.194 85 HB2 PHE 14 HB2 PHE 14 5.489 -3.424 -4.641 86 HB3 PHE 14 HB3 PHE 14 6.830 -4.219 -5.459 87 HD1 PHE 14 HD1 PHE 14 3.143 -3.827 -5.537 88 HD2 PHE 14 HD2 PHE 14 6.673 -4.793 -7.709 89 HE1 PHE 14 HE1 PHE 14 1.847 -3.845 -7.629 90 HE2 PHE 14 HE2 PHE 14 5.384 -4.812 -9.804 91 HZ PHE 14 HZ PHE 14 2.968 -4.337 -9.766 92 H ALA 15 H ALA 15 7.865 -6.576 -4.055 93 HA ALA 15 HA ALA 15 8.085 -8.101 -6.391 94 HB1 ALA 15 HB1 ALA 15 9.912 -7.391 -4.742 95 HB2 ALA 15 HB2 ALA 15 9.468 -8.835 -3.832 96 HB3 ALA 15 HB3 ALA 15 10.052 -8.982 -5.490 97 H CYS 16 H CYS 16 6.737 -8.867 -3.241 98 HA CYS 16 HA CYS 16 6.583 -11.625 -3.378 99 HB2 CYS 16 HB2 CYS 16 5.964 -10.549 -1.347 100 HB3 CYS 16 HB3 CYS 16 4.713 -9.602 -2.147 101 H CYS 17 H CYS 17 4.598 -9.201 -4.951 102 HA CYS 17 HA CYS 17 2.494 -10.876 -5.783 103 HB2 CYS 17 HB2 CYS 17 3.368 -8.164 -6.258 104 HB3 CYS 17 HB3 CYS 17 2.821 -8.905 -7.759 105 HN1 NH2 18 H1 NH2 18 2.579 -12.565 -7.096 106 HN2 NH2 18 H2 NH2 18 3.630 -12.822 -8.417 Start of MODEL 15 1 H1 ASP 1 H ASP 1 3.802 0.918 0.010 2 HA ASP 1 HA ASP 1 1.237 -0.249 -0.562 3 HB2 ASP 1 HB2 ASP 1 2.861 0.964 -2.808 4 HB3 ASP 1 HB3 ASP 1 1.503 -0.135 -3.038 5 H CYS 2 H CYS 2 1.391 -2.392 -1.061 6 HA CYS 2 HA CYS 2 3.825 -3.572 -2.020 7 HB2 CYS 2 HB2 CYS 2 3.802 -5.130 0.121 8 HB3 CYS 2 HB3 CYS 2 4.704 -3.618 0.102 9 H CYS 3 H CYS 3 3.532 -6.155 -1.503 10 HA CYS 3 HA CYS 3 0.751 -6.821 -2.202 11 HB2 CYS 3 HB2 CYS 3 3.260 -7.427 -3.660 12 HB3 CYS 3 HB3 CYS 3 2.093 -8.740 -3.541 13 HA HYP 4 HA HYP 4 2.218 -8.020 1.564 14 HB2 HYP 4 HB2 HYP 4 0.446 -7.689 3.031 15 HB3 HYP 4 HB3 HYP 4 -0.624 -8.784 2.146 16 HG HYP 4 HG HYP 4 -1.444 -6.740 1.358 17 HD22 HYP 4 HD2 HYP 4 -0.837 -7.370 -0.794 18 HD23 HYP 4 HD3 HYP 4 0.510 -6.244 -0.612 19 HD1 HYP 4 HOD HYP 4 0.990 -5.522 1.094 20 H CYS 5 H CYS 5 3.434 -9.746 1.895 21 HA CYS 5 HA CYS 5 2.248 -12.424 1.764 22 HB2 CYS 5 HB2 CYS 5 5.008 -11.338 1.487 23 HB3 CYS 5 HB3 CYS 5 4.835 -12.964 2.140 24 HA HYP 6 HA HYP 6 1.268 -13.274 5.238 25 HB2 HYP 6 HB2 HYP 6 1.257 -15.577 5.551 26 HB3 HYP 6 HB3 HYP 6 3.021 -15.681 5.604 27 HG HYP 6 HG HYP 6 2.668 -16.402 3.406 28 HD22 HYP 6 HD2 HYP 6 3.901 -14.582 2.653 29 HD23 HYP 6 HD3 HYP 6 2.350 -13.878 2.192 30 HD1 HYP 6 HOD HYP 6 0.693 -14.606 2.816 31 H ALA 7 H ALA 7 4.471 -12.553 5.591 32 HA ALA 7 HA ALA 7 4.723 -13.045 8.426 33 HB1 ALA 7 HB1 ALA 7 6.535 -11.229 6.889 34 HB2 ALA 7 HB2 ALA 7 6.905 -12.299 8.242 35 HB3 ALA 7 HB3 ALA 7 6.603 -12.974 6.641 36 H GLY 8 H GLY 8 4.219 -10.235 6.318 37 HA2 GLY 8 HA2 GLY 8 2.950 -8.338 6.856 38 HA3 GLY 8 HA3 GLY 8 2.961 -8.836 8.541 39 H ALA 9 H ALA 9 5.873 -9.214 8.573 40 HA ALA 9 HA ALA 9 6.604 -6.581 9.350 41 HB1 ALA 9 HB1 ALA 9 7.656 -8.256 10.570 42 HB2 ALA 9 HB2 ALA 9 8.085 -9.175 9.127 43 HB3 ALA 9 HB3 ALA 9 8.933 -7.675 9.502 44 H VAL 10 H VAL 10 8.591 -8.543 7.180 45 HA VAL 10 HA VAL 10 8.950 -6.164 5.486 46 HB VAL 10 HB VAL 10 10.754 -8.579 5.609 47 HG11 VAL 10 HG11 VAL 10 12.384 -6.882 4.655 48 HG12 VAL 10 HG12 VAL 10 11.093 -7.425 3.581 49 HG13 VAL 10 HG13 VAL 10 10.983 -5.850 4.368 50 HG21 VAL 10 HG21 VAL 10 12.232 -7.267 7.028 51 HG22 VAL 10 HG22 VAL 10 11.070 -5.940 7.039 52 HG23 VAL 10 HG23 VAL 10 10.661 -7.478 7.801 53 H ARG 11 H ARG 11 7.417 -9.128 5.565 54 HA ARG 11 HA ARG 11 7.785 -10.061 2.927 55 HB2 ARG 11 HB2 ARG 11 5.868 -10.571 5.130 56 HB3 ARG 11 HB3 ARG 11 5.331 -10.997 3.511 57 HG2 ARG 11 HG2 ARG 11 7.816 -11.997 4.885 58 HG3 ARG 11 HG3 ARG 11 6.330 -12.907 4.603 59 HD2 ARG 11 HD2 ARG 11 7.146 -11.856 2.114 60 HD3 ARG 11 HD3 ARG 11 8.579 -12.544 2.877 61 HE ARG 11 HE ARG 11 6.254 -14.249 2.940 62 HH11 ARG 11 HH11 ARG 11 9.095 -13.299 1.167 63 HH12 ARG 11 HH12 ARG 11 9.197 -14.784 0.279 64 HH21 ARG 11 HH21 ARG 11 6.377 -16.208 1.778 65 HH22 ARG 11 HH22 ARG 11 7.650 -16.437 0.627 66 H CYS 12 H CYS 12 6.223 -7.318 4.094 67 HA CYS 12 HA CYS 12 4.152 -7.160 2.106 68 HB2 CYS 12 HB2 CYS 12 4.269 -6.040 4.467 69 HB3 CYS 12 HB3 CYS 12 5.172 -4.785 3.626 70 H ARG 13 H ARG 13 5.658 -7.584 0.291 71 HA ARG 13 HA ARG 13 6.768 -5.048 -0.701 72 HB2 ARG 13 HB2 ARG 13 8.036 -7.777 -0.996 73 HB3 ARG 13 HB3 ARG 13 8.614 -6.300 -1.756 74 HG2 ARG 13 HG2 ARG 13 9.440 -5.448 0.201 75 HG3 ARG 13 HG3 ARG 13 8.307 -6.359 1.202 76 HD2 ARG 13 HD2 ARG 13 10.468 -7.307 1.526 77 HD3 ARG 13 HD3 ARG 13 9.537 -8.438 0.545 78 HE ARG 13 HE ARG 13 10.882 -6.890 -1.263 79 HH11 ARG 13 HH11 ARG 13 11.785 -8.896 1.435 80 HH12 ARG 13 HH12 ARG 13 13.325 -9.326 0.767 81 HH21 ARG 13 HH21 ARG 13 12.906 -7.449 -2.153 82 HH22 ARG 13 HH22 ARG 13 13.962 -8.502 -1.273 83 H PHE 14 H PHE 14 6.594 -4.692 -2.918 84 HA PHE 14 HA PHE 14 4.345 -5.839 -4.181 85 HB2 PHE 14 HB2 PHE 14 5.051 -3.566 -4.684 86 HB3 PHE 14 HB3 PHE 14 6.581 -4.155 -5.327 87 HD1 PHE 14 HD1 PHE 14 2.908 -4.364 -5.853 88 HD2 PHE 14 HD2 PHE 14 6.786 -4.632 -7.586 89 HE1 PHE 14 HE1 PHE 14 1.894 -4.536 -8.088 90 HE2 PHE 14 HE2 PHE 14 5.778 -4.803 -9.823 91 HZ PHE 14 HZ PHE 14 3.329 -4.755 -10.077 92 H ALA 15 H ALA 15 7.722 -6.632 -4.200 93 HA ALA 15 HA ALA 15 7.909 -8.074 -6.586 94 HB1 ALA 15 HB1 ALA 15 9.562 -7.556 -4.388 95 HB2 ALA 15 HB2 ALA 15 9.477 -9.313 -4.522 96 HB3 ALA 15 HB3 ALA 15 10.002 -8.348 -5.902 97 H CYS 16 H CYS 16 6.541 -8.931 -3.489 98 HA CYS 16 HA CYS 16 6.468 -11.706 -3.710 99 HB2 CYS 16 HB2 CYS 16 5.351 -9.727 -2.004 100 HB3 CYS 16 HB3 CYS 16 4.043 -10.799 -2.493 101 H CYS 17 H CYS 17 4.345 -9.251 -5.067 102 HA CYS 17 HA CYS 17 2.260 -10.901 -5.933 103 HB2 CYS 17 HB2 CYS 17 3.211 -8.188 -6.494 104 HB3 CYS 17 HB3 CYS 17 2.401 -8.940 -7.865 105 HN1 NH2 18 H1 NH2 18 5.281 -9.975 -7.536 106 HN2 NH2 18 H2 NH2 18 5.240 -11.125 -8.798 Start of MODEL 16 1 H1 ASP 1 H ASP 1 2.290 0.873 0.877 2 HA ASP 1 HA ASP 1 1.375 -0.061 -1.680 3 HB2 ASP 1 HB2 ASP 1 4.074 1.162 -1.138 4 HB3 ASP 1 HB3 ASP 1 3.116 1.231 -2.616 5 H CYS 2 H CYS 2 1.427 -2.362 -1.159 6 HA CYS 2 HA CYS 2 3.840 -3.577 -2.111 7 HB2 CYS 2 HB2 CYS 2 3.800 -5.141 0.026 8 HB3 CYS 2 HB3 CYS 2 4.726 -3.644 0.008 9 H CYS 3 H CYS 3 3.510 -6.158 -1.600 10 HA CYS 3 HA CYS 3 0.716 -6.781 -2.286 11 HB2 CYS 3 HB2 CYS 3 3.225 -7.496 -3.729 12 HB3 CYS 3 HB3 CYS 3 1.936 -8.694 -3.678 13 HA HYP 4 HA HYP 4 2.190 -8.020 1.463 14 HB2 HYP 4 HB2 HYP 4 0.432 -7.675 2.942 15 HB3 HYP 4 HB3 HYP 4 -0.658 -8.751 2.058 16 HG HYP 4 HG HYP 4 -1.456 -6.691 1.286 17 HD22 HYP 4 HD2 HYP 4 -0.871 -7.317 -0.873 18 HD23 HYP 4 HD3 HYP 4 0.492 -6.210 -0.693 19 HD1 HYP 4 HOD HYP 4 0.992 -5.504 1.014 20 H CYS 5 H CYS 5 3.387 -9.765 1.770 21 HA CYS 5 HA CYS 5 2.181 -12.428 1.607 22 HB2 CYS 5 HB2 CYS 5 4.937 -11.347 1.364 23 HB3 CYS 5 HB3 CYS 5 4.776 -12.956 2.061 24 HA HYP 6 HA HYP 6 1.131 -13.342 5.042 25 HB2 HYP 6 HB2 HYP 6 1.130 -15.649 5.325 26 HB3 HYP 6 HB3 HYP 6 2.894 -15.740 5.422 27 HG HYP 6 HG HYP 6 2.602 -16.435 3.207 28 HD22 HYP 6 HD2 HYP 6 3.838 -14.596 2.508 29 HD23 HYP 6 HD3 HYP 6 2.293 -13.898 2.016 30 HD1 HYP 6 HOD HYP 6 0.628 -14.647 2.589 31 H ALA 7 H ALA 7 4.322 -12.609 5.485 32 HA ALA 7 HA ALA 7 4.475 -13.115 8.330 33 HB1 ALA 7 HB1 ALA 7 6.672 -12.257 8.231 34 HB2 ALA 7 HB2 ALA 7 6.446 -13.181 6.745 35 HB3 ALA 7 HB3 ALA 7 6.357 -11.420 6.710 36 H GLY 8 H GLY 8 4.111 -10.304 6.193 37 HA2 GLY 8 HA2 GLY 8 2.888 -8.366 6.667 38 HA3 GLY 8 HA3 GLY 8 2.780 -8.872 8.346 39 H ALA 9 H ALA 9 5.672 -9.335 8.556 40 HA ALA 9 HA ALA 9 6.437 -6.761 9.440 41 HB1 ALA 9 HB1 ALA 9 7.592 -8.272 10.651 42 HB2 ALA 9 HB2 ALA 9 7.673 -9.434 9.326 43 HB3 ALA 9 HB3 ALA 9 8.789 -8.069 9.371 44 H VAL 10 H VAL 10 8.420 -8.663 7.206 45 HA VAL 10 HA VAL 10 8.823 -6.215 5.615 46 HB VAL 10 HB VAL 10 10.836 -7.125 6.814 47 HG11 VAL 10 HG11 VAL 10 10.323 -9.503 6.569 48 HG12 VAL 10 HG12 VAL 10 10.550 -9.374 4.823 49 HG13 VAL 10 HG13 VAL 10 11.914 -9.120 5.913 50 HG21 VAL 10 HG21 VAL 10 11.906 -5.989 5.235 51 HG22 VAL 10 HG22 VAL 10 11.872 -7.412 4.194 52 HG23 VAL 10 HG23 VAL 10 10.559 -6.237 4.123 53 H ARG 11 H ARG 11 7.249 -9.095 5.556 54 HA ARG 11 HA ARG 11 7.828 -10.005 2.916 55 HB2 ARG 11 HB2 ARG 11 5.785 -10.628 4.996 56 HB3 ARG 11 HB3 ARG 11 5.448 -11.112 3.339 57 HG2 ARG 11 HG2 ARG 11 7.982 -11.845 4.780 58 HG3 ARG 11 HG3 ARG 11 6.531 -12.850 4.791 59 HD2 ARG 11 HD2 ARG 11 7.617 -13.784 3.018 60 HD3 ARG 11 HD3 ARG 11 6.723 -12.520 2.175 61 HE ARG 11 HE ARG 11 8.705 -11.439 1.741 62 HH11 ARG 11 HH11 ARG 11 9.230 -13.960 4.084 63 HH12 ARG 11 HH12 ARG 11 10.958 -13.843 4.015 64 HH21 ARG 11 HH21 ARG 11 10.978 -11.276 1.641 65 HH22 ARG 11 HH22 ARG 11 11.950 -12.316 2.626 66 H CYS 12 H CYS 12 6.256 -7.292 4.012 67 HA CYS 12 HA CYS 12 4.164 -7.177 2.036 68 HB2 CYS 12 HB2 CYS 12 4.271 -6.027 4.379 69 HB3 CYS 12 HB3 CYS 12 5.182 -4.783 3.530 70 H ARG 13 H ARG 13 5.565 -7.580 0.178 71 HA ARG 13 HA ARG 13 6.703 -5.067 -0.830 72 HB2 ARG 13 HB2 ARG 13 7.972 -7.802 -1.053 73 HB3 ARG 13 HB3 ARG 13 8.520 -6.374 -1.921 74 HG2 ARG 13 HG2 ARG 13 9.539 -5.502 -0.116 75 HG3 ARG 13 HG3 ARG 13 8.292 -6.072 0.995 76 HD2 ARG 13 HD2 ARG 13 10.300 -7.243 1.515 77 HD3 ARG 13 HD3 ARG 13 9.219 -8.380 0.710 78 HE ARG 13 HE ARG 13 10.864 -7.219 -1.227 79 HH11 ARG 13 HH11 ARG 13 11.107 -9.342 1.522 80 HH12 ARG 13 HH12 ARG 13 12.482 -10.197 0.904 81 HH21 ARG 13 HH21 ARG 13 12.674 -8.338 -2.051 82 HH22 ARG 13 HH22 ARG 13 13.372 -9.625 -1.127 83 H PHE 14 H PHE 14 6.514 -4.736 -3.052 84 HA PHE 14 HA PHE 14 4.254 -5.900 -4.282 85 HB2 PHE 14 HB2 PHE 14 4.954 -3.624 -4.804 86 HB3 PHE 14 HB3 PHE 14 6.470 -4.220 -5.471 87 HD1 PHE 14 HD1 PHE 14 6.524 -5.354 -7.623 88 HD2 PHE 14 HD2 PHE 14 2.900 -3.784 -6.035 89 HE1 PHE 14 HE1 PHE 14 5.476 -5.539 -9.841 90 HE2 PHE 14 HE2 PHE 14 1.846 -3.968 -8.251 91 HZ PHE 14 HZ PHE 14 3.133 -4.847 -10.157 92 H ALA 15 H ALA 15 7.621 -6.703 -4.297 93 HA ALA 15 HA ALA 15 7.822 -8.141 -6.682 94 HB1 ALA 15 HB1 ALA 15 9.835 -7.692 -5.587 95 HB2 ALA 15 HB2 ALA 15 9.257 -8.352 -4.056 96 HB3 ALA 15 HB3 ALA 15 9.625 -9.434 -5.399 97 H CYS 16 H CYS 16 6.382 -8.983 -3.620 98 HA CYS 16 HA CYS 16 6.295 -11.765 -3.862 99 HB2 CYS 16 HB2 CYS 16 5.153 -9.769 -2.159 100 HB3 CYS 16 HB3 CYS 16 3.889 -10.905 -2.621 101 H CYS 17 H CYS 17 4.192 -9.266 -5.174 102 HA CYS 17 HA CYS 17 2.075 -10.848 -6.051 103 HB2 CYS 17 HB2 CYS 17 3.121 -8.176 -6.636 104 HB3 CYS 17 HB3 CYS 17 2.294 -8.913 -8.004 105 HN1 NH2 18 H1 NH2 18 1.593 -11.835 -8.029 106 HN2 NH2 18 H2 NH2 18 2.773 -12.357 -9.148 Start of MODEL 17 1 H1 ASP 1 H ASP 1 0.523 0.511 -0.172 2 HA ASP 1 HA ASP 1 1.759 0.174 -2.174 3 HB2 ASP 1 HB2 ASP 1 3.888 1.307 -1.798 4 HB3 ASP 1 HB3 ASP 1 2.608 2.091 -0.876 5 H CYS 2 H CYS 2 1.434 -2.381 -1.298 6 HA CYS 2 HA CYS 2 3.840 -3.625 -2.232 7 HB2 CYS 2 HB2 CYS 2 3.790 -5.155 -0.069 8 HB3 CYS 2 HB3 CYS 2 4.727 -3.665 -0.112 9 H CYS 3 H CYS 3 3.495 -6.195 -1.679 10 HA CYS 3 HA CYS 3 0.697 -6.812 -2.355 11 HB2 CYS 3 HB2 CYS 3 3.202 -7.572 -3.784 12 HB3 CYS 3 HB3 CYS 3 1.899 -8.754 -3.718 13 HA HYP 4 HA HYP 4 2.167 -8.001 1.413 14 HB2 HYP 4 HB2 HYP 4 0.412 -7.620 2.888 15 HB3 HYP 4 HB3 HYP 4 -0.686 -8.704 2.022 16 HG HYP 4 HG HYP 4 -1.471 -6.651 1.218 17 HD22 HYP 4 HD2 HYP 4 -0.892 -7.315 -0.931 18 HD23 HYP 4 HD3 HYP 4 0.478 -6.214 -0.770 19 HD1 HYP 4 HOD HYP 4 0.984 -5.484 0.925 20 H CYS 5 H CYS 5 3.351 -9.747 1.753 21 HA CYS 5 HA CYS 5 2.128 -12.405 1.632 22 HB2 CYS 5 HB2 CYS 5 4.890 -11.347 1.369 23 HB3 CYS 5 HB3 CYS 5 4.720 -12.942 2.093 24 HA HYP 6 HA HYP 6 1.074 -13.257 5.082 25 HB2 HYP 6 HB2 HYP 6 1.059 -15.558 5.403 26 HB3 HYP 6 HB3 HYP 6 2.822 -15.659 5.500 27 HG HYP 6 HG HYP 6 2.524 -16.388 3.297 28 HD22 HYP 6 HD2 HYP 6 3.772 -14.569 2.567 29 HD23 HYP 6 HD3 HYP 6 2.231 -13.869 2.065 30 HD1 HYP 6 HOD HYP 6 0.561 -14.598 2.651 31 H ALA 7 H ALA 7 4.271 -12.537 5.511 32 HA ALA 7 HA ALA 7 4.423 -12.998 8.364 33 HB1 ALA 7 HB1 ALA 7 6.314 -11.342 6.714 34 HB2 ALA 7 HB2 ALA 7 6.625 -12.155 8.248 35 HB3 ALA 7 HB3 ALA 7 6.392 -13.103 6.779 36 H GLY 8 H GLY 8 4.075 -10.220 6.182 37 HA2 GLY 8 HA2 GLY 8 2.865 -8.267 6.624 38 HA3 GLY 8 HA3 GLY 8 2.756 -8.744 8.312 39 H ALA 9 H ALA 9 5.644 -9.222 8.527 40 HA ALA 9 HA ALA 9 6.427 -6.640 9.369 41 HB1 ALA 9 HB1 ALA 9 8.772 -7.987 9.289 42 HB2 ALA 9 HB2 ALA 9 7.599 -8.112 10.601 43 HB3 ALA 9 HB3 ALA 9 7.622 -9.325 9.320 44 H VAL 10 H VAL 10 8.397 -8.587 7.163 45 HA VAL 10 HA VAL 10 8.810 -6.167 5.533 46 HB VAL 10 HB VAL 10 10.820 -7.069 6.744 47 HG11 VAL 10 HG11 VAL 10 10.294 -9.448 6.536 48 HG12 VAL 10 HG12 VAL 10 10.520 -9.348 4.789 49 HG13 VAL 10 HG13 VAL 10 11.887 -9.083 5.872 50 HG21 VAL 10 HG21 VAL 10 10.851 -5.707 4.606 51 HG22 VAL 10 HG22 VAL 10 12.300 -6.651 4.952 52 HG23 VAL 10 HG23 VAL 10 11.137 -7.227 3.757 53 H ARG 11 H ARG 11 7.221 -9.039 5.521 54 HA ARG 11 HA ARG 11 7.792 -9.995 2.896 55 HB2 ARG 11 HB2 ARG 11 5.747 -10.573 4.987 56 HB3 ARG 11 HB3 ARG 11 5.408 -11.082 3.339 57 HG2 ARG 11 HG2 ARG 11 7.939 -11.804 4.788 58 HG3 ARG 11 HG3 ARG 11 6.483 -12.801 4.821 59 HD2 ARG 11 HD2 ARG 11 7.560 -13.772 3.062 60 HD3 ARG 11 HD3 ARG 11 6.670 -12.519 2.198 61 HE ARG 11 HE ARG 11 8.656 -11.455 1.741 62 HH11 ARG 11 HH11 ARG 11 9.175 -13.938 4.125 63 HH12 ARG 11 HH12 ARG 11 10.903 -13.832 4.049 64 HH21 ARG 11 HH21 ARG 11 10.929 -11.306 1.632 65 HH22 ARG 11 HH22 ARG 11 11.900 -12.334 2.631 66 H CYS 12 H CYS 12 6.237 -7.256 3.949 67 HA CYS 12 HA CYS 12 4.142 -7.161 1.975 68 HB2 CYS 12 HB2 CYS 12 4.262 -5.971 4.297 69 HB3 CYS 12 HB3 CYS 12 5.180 -4.748 3.425 70 H ARG 13 H ARG 13 5.560 -7.615 0.132 71 HA ARG 13 HA ARG 13 6.708 -5.125 -0.924 72 HB2 ARG 13 HB2 ARG 13 7.949 -7.876 -1.085 73 HB3 ARG 13 HB3 ARG 13 8.500 -6.485 -2.010 74 HG2 ARG 13 HG2 ARG 13 9.539 -5.551 -0.244 75 HG3 ARG 13 HG3 ARG 13 8.308 -6.089 0.901 76 HD2 ARG 13 HD2 ARG 13 10.264 -7.277 1.463 77 HD3 ARG 13 HD3 ARG 13 9.242 -8.423 0.595 78 HE ARG 13 HE ARG 13 10.845 -7.331 -1.329 79 HH11 ARG 13 HH11 ARG 13 11.380 -8.997 1.681 80 HH12 ARG 13 HH12 ARG 13 12.883 -9.696 1.178 81 HH21 ARG 13 HH21 ARG 13 12.823 -8.245 -2.003 82 HH22 ARG 13 HH22 ARG 13 13.704 -9.267 -0.918 83 H PHE 14 H PHE 14 6.518 -4.828 -3.151 84 HA PHE 14 HA PHE 14 4.242 -5.989 -4.357 85 HB2 PHE 14 HB2 PHE 14 5.134 -3.697 -4.843 86 HB3 PHE 14 HB3 PHE 14 6.451 -4.452 -5.734 87 HD1 PHE 14 HD1 PHE 14 6.188 -5.052 -7.972 88 HD2 PHE 14 HD2 PHE 14 2.761 -4.124 -5.624 89 HE1 PHE 14 HE1 PHE 14 4.793 -5.096 -9.998 90 HE2 PHE 14 HE2 PHE 14 1.360 -4.168 -7.646 91 HZ PHE 14 HZ PHE 14 2.375 -4.655 -9.837 92 H ALA 15 H ALA 15 7.601 -6.824 -4.366 93 HA ALA 15 HA ALA 15 7.785 -8.298 -6.730 94 HB1 ALA 15 HB1 ALA 15 9.717 -7.683 -5.348 95 HB2 ALA 15 HB2 ALA 15 9.194 -8.836 -4.119 96 HB3 ALA 15 HB3 ALA 15 9.688 -9.409 -5.712 97 H CYS 16 H CYS 16 6.339 -9.081 -3.656 98 HA CYS 16 HA CYS 16 6.225 -11.865 -3.856 99 HB2 CYS 16 HB2 CYS 16 5.092 -9.830 -2.189 100 HB3 CYS 16 HB3 CYS 16 3.828 -10.974 -2.628 101 H CYS 17 H CYS 17 4.144 -9.367 -5.205 102 HA CYS 17 HA CYS 17 2.012 -10.940 -6.058 103 HB2 CYS 17 HB2 CYS 17 3.088 -8.290 -6.689 104 HB3 CYS 17 HB3 CYS 17 2.249 -9.041 -8.043 105 HN1 NH2 18 H1 NH2 18 4.911 -9.977 -7.897 106 HN2 NH2 18 H2 NH2 18 4.878 -11.237 -9.049 Start of MODEL 18 1 H1 ASP 1 H ASP 1 3.560 1.409 -0.677 2 HA ASP 1 HA ASP 1 1.166 -0.309 -0.665 3 HB2 ASP 1 HB2 ASP 1 2.547 1.179 -2.869 4 HB3 ASP 1 HB3 ASP 1 1.657 -0.294 -3.243 5 H CYS 2 H CYS 2 1.376 -2.460 -1.111 6 HA CYS 2 HA CYS 2 3.859 -3.561 -2.080 7 HB2 CYS 2 HB2 CYS 2 3.832 -5.130 0.055 8 HB3 CYS 2 HB3 CYS 2 4.692 -3.594 0.061 9 H CYS 3 H CYS 3 3.629 -6.156 -1.575 10 HA CYS 3 HA CYS 3 0.887 -6.898 -2.347 11 HB2 CYS 3 HB2 CYS 3 3.323 -7.183 -3.875 12 HB3 CYS 3 HB3 CYS 3 2.612 -8.761 -3.550 13 HA HYP 4 HA HYP 4 2.284 -8.061 1.457 14 HB2 HYP 4 HB2 HYP 4 0.464 -7.781 2.875 15 HB3 HYP 4 HB3 HYP 4 -0.551 -8.903 1.960 16 HG HYP 4 HG HYP 4 -1.405 -6.881 1.152 17 HD22 HYP 4 HD2 HYP 4 -0.723 -7.491 -0.983 18 HD23 HYP 4 HD3 HYP 4 0.587 -6.329 -0.765 19 HD1 HYP 4 HOD HYP 4 1.001 -5.597 0.954 20 H CYS 5 H CYS 5 3.557 -9.767 1.729 21 HA CYS 5 HA CYS 5 2.445 -12.470 1.591 22 HB2 CYS 5 HB2 CYS 5 5.176 -11.302 1.388 23 HB3 CYS 5 HB3 CYS 5 5.038 -12.933 2.036 24 HA HYP 6 HA HYP 6 1.397 -13.367 5.033 25 HB2 HYP 6 HB2 HYP 6 1.439 -15.671 5.334 26 HB3 HYP 6 HB3 HYP 6 3.204 -15.728 5.433 27 HG HYP 6 HG HYP 6 2.929 -16.444 3.222 28 HD22 HYP 6 HD2 HYP 6 4.130 -14.588 2.512 29 HD23 HYP 6 HD3 HYP 6 2.573 -13.923 2.014 30 HD1 HYP 6 HOD HYP 6 0.922 -14.699 2.589 31 H ALA 7 H ALA 7 4.585 -12.593 5.476 32 HA ALA 7 HA ALA 7 4.770 -13.086 8.312 33 HB1 ALA 7 HB1 ALA 7 6.938 -12.303 8.187 34 HB2 ALA 7 HB2 ALA 7 6.689 -12.946 6.563 35 HB3 ALA 7 HB3 ALA 7 6.578 -11.209 6.851 36 H GLY 8 H GLY 8 4.250 -10.275 6.209 37 HA2 GLY 8 HA2 GLY 8 2.937 -8.404 6.718 38 HA3 GLY 8 HA3 GLY 8 2.886 -8.925 8.396 39 H ALA 9 H ALA 9 5.803 -9.248 8.543 40 HA ALA 9 HA ALA 9 6.448 -6.617 9.393 41 HB1 ALA 9 HB1 ALA 9 8.818 -7.716 9.533 42 HB2 ALA 9 HB2 ALA 9 7.537 -8.211 10.641 43 HB3 ALA 9 HB3 ALA 9 7.921 -9.205 9.236 44 H VAL 10 H VAL 10 8.512 -8.515 7.228 45 HA VAL 10 HA VAL 10 8.877 -6.092 5.592 46 HB VAL 10 HB VAL 10 10.900 -6.977 6.786 47 HG11 VAL 10 HG11 VAL 10 10.101 -9.415 6.235 48 HG12 VAL 10 HG12 VAL 10 11.046 -9.165 4.766 49 HG13 VAL 10 HG13 VAL 10 11.819 -9.034 6.346 50 HG21 VAL 10 HG21 VAL 10 10.878 -5.642 4.607 51 HG22 VAL 10 HG22 VAL 10 12.358 -6.514 5.007 52 HG23 VAL 10 HG23 VAL 10 11.244 -7.171 3.808 53 H ARG 11 H ARG 11 7.346 -9.012 5.576 54 HA ARG 11 HA ARG 11 7.902 -9.944 2.949 55 HB2 ARG 11 HB2 ARG 11 5.940 -10.561 5.080 56 HB3 ARG 11 HB3 ARG 11 5.454 -10.968 3.440 57 HG2 ARG 11 HG2 ARG 11 7.957 -11.909 4.826 58 HG3 ARG 11 HG3 ARG 11 6.497 -12.861 4.549 59 HD2 ARG 11 HD2 ARG 11 7.235 -11.804 2.053 60 HD3 ARG 11 HD3 ARG 11 8.722 -12.387 2.799 61 HE ARG 11 HE ARG 11 6.639 -13.974 1.722 62 HH11 ARG 11 HH11 ARG 11 8.926 -13.853 4.344 63 HH12 ARG 11 HH12 ARG 11 9.003 -15.574 4.528 64 HH21 ARG 11 HH21 ARG 11 6.731 -16.241 1.955 65 HH22 ARG 11 HH22 ARG 11 7.755 -16.931 3.169 66 H CYS 12 H CYS 12 6.245 -7.251 4.057 67 HA CYS 12 HA CYS 12 4.219 -7.153 2.014 68 HB2 CYS 12 HB2 CYS 12 4.251 -6.029 4.384 69 HB3 CYS 12 HB3 CYS 12 5.121 -4.744 3.552 70 H ARG 13 H ARG 13 5.769 -7.525 0.234 71 HA ARG 13 HA ARG 13 6.879 -4.964 -0.698 72 HB2 ARG 13 HB2 ARG 13 8.144 -7.699 -0.909 73 HB3 ARG 13 HB3 ARG 13 8.690 -6.300 -1.823 74 HG2 ARG 13 HG2 ARG 13 9.622 -5.297 -0.004 75 HG3 ARG 13 HG3 ARG 13 8.480 -6.032 1.123 76 HD2 ARG 13 HD2 ARG 13 10.604 -7.026 1.523 77 HD3 ARG 13 HD3 ARG 13 9.614 -8.226 0.693 78 HE ARG 13 HE ARG 13 11.003 -6.915 -1.285 79 HH11 ARG 13 HH11 ARG 13 11.801 -8.765 1.554 80 HH12 ARG 13 HH12 ARG 13 13.293 -9.362 0.905 81 HH21 ARG 13 HH21 ARG 13 12.965 -7.694 -2.150 82 HH22 ARG 13 HH22 ARG 13 13.954 -8.751 -1.202 83 H PHE 14 H PHE 14 6.771 -4.582 -2.925 84 HA PHE 14 HA PHE 14 4.515 -5.633 -4.239 85 HB2 PHE 14 HB2 PHE 14 5.633 -3.372 -4.616 86 HB3 PHE 14 HB3 PHE 14 6.808 -4.231 -5.607 87 HD1 PHE 14 HD1 PHE 14 3.511 -2.805 -5.451 88 HD2 PHE 14 HD2 PHE 14 6.030 -5.435 -7.654 89 HE1 PHE 14 HE1 PHE 14 2.000 -2.627 -7.385 90 HE2 PHE 14 HE2 PHE 14 4.524 -5.260 -9.591 91 HZ PHE 14 HZ PHE 14 2.506 -3.855 -9.459 92 H ALA 15 H ALA 15 7.885 -6.526 -4.269 93 HA ALA 15 HA ALA 15 8.054 -7.991 -6.617 94 HB1 ALA 15 HB1 ALA 15 10.117 -8.069 -5.782 95 HB2 ALA 15 HB2 ALA 15 9.541 -7.813 -4.134 96 HB3 ALA 15 HB3 ALA 15 9.571 -9.440 -4.815 97 H CYS 16 H CYS 16 6.537 -8.806 -3.576 98 HA CYS 16 HA CYS 16 6.293 -11.584 -3.943 99 HB2 CYS 16 HB2 CYS 16 5.287 -9.584 -2.115 100 HB3 CYS 16 HB3 CYS 16 4.023 -10.739 -2.524 101 H CYS 17 H CYS 17 4.642 -8.923 -5.377 102 HA CYS 17 HA CYS 17 2.167 -9.860 -6.030 103 HB2 CYS 17 HB2 CYS 17 4.135 -8.218 -7.600 104 HB3 CYS 17 HB3 CYS 17 2.563 -8.629 -8.279 105 HN1 NH2 18 H1 NH2 18 1.622 -11.827 -6.706 106 HN2 NH2 18 H2 NH2 18 2.348 -12.745 -7.949 Start of MODEL 19 1 H1 ASP 1 H ASP 1 3.638 1.339 0.211 2 HA ASP 1 HA ASP 1 1.358 -0.157 -0.870 3 HB2 ASP 1 HB2 ASP 1 3.632 1.249 -2.285 4 HB3 ASP 1 HB3 ASP 1 2.315 0.399 -3.087 5 H CYS 2 H CYS 2 1.513 -2.282 -1.064 6 HA CYS 2 HA CYS 2 3.884 -3.555 -2.046 7 HB2 CYS 2 HB2 CYS 2 3.847 -5.119 0.085 8 HB3 CYS 2 HB3 CYS 2 4.793 -3.635 0.066 9 H CYS 3 H CYS 3 3.501 -6.126 -1.544 10 HA CYS 3 HA CYS 3 0.681 -6.683 -2.175 11 HB2 CYS 3 HB2 CYS 3 2.163 -6.718 -4.214 12 HB3 CYS 3 HB3 CYS 3 3.028 -8.067 -3.483 13 HA HYP 4 HA HYP 4 2.202 -7.988 1.529 14 HB2 HYP 4 HB2 HYP 4 0.476 -7.630 3.043 15 HB3 HYP 4 HB3 HYP 4 -0.646 -8.680 2.168 16 HG HYP 4 HG HYP 4 -1.426 -6.601 1.432 17 HD22 HYP 4 HD2 HYP 4 -0.890 -7.214 -0.744 18 HD23 HYP 4 HD3 HYP 4 0.493 -6.130 -0.579 19 HD1 HYP 4 HOD HYP 4 1.035 -5.449 1.126 20 H CYS 5 H CYS 5 3.379 -9.757 1.777 21 HA CYS 5 HA CYS 5 2.134 -12.398 1.608 22 HB2 CYS 5 HB2 CYS 5 4.895 -11.348 1.337 23 HB3 CYS 5 HB3 CYS 5 4.734 -12.954 2.040 24 HA HYP 6 HA HYP 6 1.106 -13.349 5.039 25 HB2 HYP 6 HB2 HYP 6 1.084 -15.659 5.293 26 HB3 HYP 6 HB3 HYP 6 2.847 -15.768 5.374 27 HG HYP 6 HG HYP 6 2.530 -16.432 3.152 28 HD22 HYP 6 HD2 HYP 6 3.779 -14.597 2.467 29 HD23 HYP 6 HD3 HYP 6 2.237 -13.878 1.997 30 HD1 HYP 6 HOD HYP 6 0.569 -14.617 2.574 31 H ALA 7 H ALA 7 4.316 -12.668 5.464 32 HA ALA 7 HA ALA 7 4.489 -13.210 8.299 33 HB1 ALA 7 HB1 ALA 7 6.442 -13.266 6.692 34 HB2 ALA 7 HB2 ALA 7 6.368 -11.504 6.687 35 HB3 ALA 7 HB3 ALA 7 6.691 -12.369 8.190 36 H GLY 8 H GLY 8 4.124 -10.364 6.210 37 HA2 GLY 8 HA2 GLY 8 2.920 -8.425 6.725 38 HA3 GLY 8 HA3 GLY 8 2.827 -8.955 8.398 39 H ALA 9 H ALA 9 5.716 -9.441 8.571 40 HA ALA 9 HA ALA 9 6.509 -6.883 9.479 41 HB1 ALA 9 HB1 ALA 9 7.509 -8.627 10.628 42 HB2 ALA 9 HB2 ALA 9 7.908 -9.507 9.152 43 HB3 ALA 9 HB3 ALA 9 8.815 -8.059 9.587 44 H VAL 10 H VAL 10 8.460 -8.777 7.210 45 HA VAL 10 HA VAL 10 8.877 -6.315 5.646 46 HB VAL 10 HB VAL 10 10.888 -7.271 6.810 47 HG11 VAL 10 HG11 VAL 10 10.335 -9.638 6.536 48 HG12 VAL 10 HG12 VAL 10 10.551 -9.488 4.791 49 HG13 VAL 10 HG13 VAL 10 11.927 -9.269 5.873 50 HG21 VAL 10 HG21 VAL 10 11.954 -6.126 5.235 51 HG22 VAL 10 HG22 VAL 10 11.897 -7.537 4.179 52 HG23 VAL 10 HG23 VAL 10 10.597 -6.346 4.131 53 H ARG 11 H ARG 11 7.268 -9.179 5.563 54 HA ARG 11 HA ARG 11 7.803 -10.056 2.905 55 HB2 ARG 11 HB2 ARG 11 5.774 -10.680 4.997 56 HB3 ARG 11 HB3 ARG 11 5.413 -11.135 3.337 57 HG2 ARG 11 HG2 ARG 11 7.945 -11.927 4.752 58 HG3 ARG 11 HG3 ARG 11 6.482 -12.914 4.741 59 HD2 ARG 11 HD2 ARG 11 7.547 -13.823 2.945 60 HD3 ARG 11 HD3 ARG 11 6.683 -12.520 2.130 61 HE ARG 11 HE ARG 11 8.689 -11.471 1.731 62 HH11 ARG 11 HH11 ARG 11 9.152 -14.062 4.010 63 HH12 ARG 11 HH12 ARG 11 10.881 -13.981 3.950 64 HH21 ARG 11 HH21 ARG 11 10.965 -11.354 1.643 65 HH22 ARG 11 HH22 ARG 11 11.912 -12.440 2.604 66 H CYS 12 H CYS 12 6.268 -7.344 4.064 67 HA CYS 12 HA CYS 12 4.165 -7.170 2.104 68 HB2 CYS 12 HB2 CYS 12 4.268 -6.071 4.456 69 HB3 CYS 12 HB3 CYS 12 5.233 -4.832 3.659 70 H ARG 13 H ARG 13 5.502 -7.534 0.211 71 HA ARG 13 HA ARG 13 6.630 -5.017 -0.778 72 HB2 ARG 13 HB2 ARG 13 7.985 -7.714 -0.905 73 HB3 ARG 13 HB3 ARG 13 8.471 -6.333 -1.879 74 HG2 ARG 13 HG2 ARG 13 9.479 -5.299 -0.152 75 HG3 ARG 13 HG3 ARG 13 8.279 -5.850 1.019 76 HD2 ARG 13 HD2 ARG 13 10.359 -6.894 1.555 77 HD3 ARG 13 HD3 ARG 13 9.295 -8.124 0.875 78 HE ARG 13 HE ARG 13 10.783 -7.115 -1.228 79 HH11 ARG 13 HH11 ARG 13 11.370 -8.797 1.763 80 HH12 ARG 13 HH12 ARG 13 12.795 -9.596 1.185 81 HH21 ARG 13 HH21 ARG 13 12.658 -8.160 -2.000 82 HH22 ARG 13 HH22 ARG 13 13.527 -9.232 -0.955 83 H PHE 14 H PHE 14 6.450 -4.704 -3.003 84 HA PHE 14 HA PHE 14 4.229 -5.902 -4.249 85 HB2 PHE 14 HB2 PHE 14 4.905 -3.655 -4.839 86 HB3 PHE 14 HB3 PHE 14 6.469 -4.233 -5.406 87 HD1 PHE 14 HD1 PHE 14 2.844 -4.255 -6.097 88 HD2 PHE 14 HD2 PHE 14 6.745 -5.065 -7.594 89 HE1 PHE 14 HE1 PHE 14 1.916 -4.525 -8.360 90 HE2 PHE 14 HE2 PHE 14 5.823 -5.336 -9.859 91 HZ PHE 14 HZ PHE 14 3.406 -5.065 -10.245 92 H ALA 15 H ALA 15 7.618 -6.673 -4.259 93 HA ALA 15 HA ALA 15 7.904 -8.146 -6.573 94 HB1 ALA 15 HB1 ALA 15 9.773 -7.658 -5.113 95 HB2 ALA 15 HB2 ALA 15 9.103 -8.707 -3.863 96 HB3 ALA 15 HB3 ALA 15 9.662 -9.397 -5.387 97 H CYS 16 H CYS 16 6.326 -9.038 -3.570 98 HA CYS 16 HA CYS 16 6.113 -11.795 -3.945 99 HB2 CYS 16 HB2 CYS 16 4.918 -9.788 -2.233 100 HB3 CYS 16 HB3 CYS 16 3.731 -11.000 -2.704 101 H CYS 17 H CYS 17 4.203 -9.147 -5.238 102 HA CYS 17 HA CYS 17 2.082 -10.708 -6.272 103 HB2 CYS 17 HB2 CYS 17 2.971 -7.935 -6.415 104 HB3 CYS 17 HB3 CYS 17 2.276 -8.493 -7.934 105 HN1 NH2 18 H1 NH2 18 2.269 -12.243 -7.756 106 HN2 NH2 18 H2 NH2 18 3.281 -12.258 -9.132 Start of MODEL 20 1 H1 ASP 1 H ASP 1 3.419 1.577 0.013 2 HA ASP 1 HA ASP 1 1.467 -0.189 -1.076 3 HB2 ASP 1 HB2 ASP 1 3.752 1.361 -2.287 4 HB3 ASP 1 HB3 ASP 1 2.717 0.310 -3.250 5 H CYS 2 H CYS 2 1.607 -2.320 -1.201 6 HA CYS 2 HA CYS 2 3.972 -3.630 -2.147 7 HB2 CYS 2 HB2 CYS 2 3.903 -5.163 0.006 8 HB3 CYS 2 HB3 CYS 2 4.865 -3.688 -0.028 9 H CYS 3 H CYS 3 3.561 -6.189 -1.612 10 HA CYS 3 HA CYS 3 0.740 -6.728 -2.256 11 HB2 CYS 3 HB2 CYS 3 2.228 -6.808 -4.284 12 HB3 CYS 3 HB3 CYS 3 3.087 -8.146 -3.527 13 HA HYP 4 HA HYP 4 2.220 -7.993 1.478 14 HB2 HYP 4 HB2 HYP 4 0.487 -7.595 2.974 15 HB3 HYP 4 HB3 HYP 4 -0.640 -8.647 2.107 16 HG HYP 4 HG HYP 4 -1.393 -6.571 1.333 17 HD22 HYP 4 HD2 HYP 4 -0.847 -7.222 -0.829 18 HD23 HYP 4 HD3 HYP 4 0.546 -6.149 -0.669 19 HD1 HYP 4 HOD HYP 4 1.082 -5.449 1.029 20 H CYS 5 H CYS 5 3.377 -9.769 1.766 21 HA CYS 5 HA CYS 5 2.106 -12.401 1.625 22 HB2 CYS 5 HB2 CYS 5 4.879 -11.382 1.359 23 HB3 CYS 5 HB3 CYS 5 4.697 -12.976 2.085 24 HA HYP 6 HA HYP 6 1.043 -13.289 5.063 25 HB2 HYP 6 HB2 HYP 6 0.996 -15.594 5.352 26 HB3 HYP 6 HB3 HYP 6 2.758 -15.720 5.446 27 HG HYP 6 HG HYP 6 2.450 -16.414 3.233 28 HD22 HYP 6 HD2 HYP 6 3.722 -14.603 2.529 29 HD23 HYP 6 HD3 HYP 6 2.191 -13.875 2.038 30 HD1 HYP 6 HOD HYP 6 0.511 -14.588 2.614 31 H ALA 7 H ALA 7 4.258 -12.637 5.501 32 HA ALA 7 HA ALA 7 4.406 -13.137 8.345 33 HB1 ALA 7 HB1 ALA 7 6.616 -12.318 8.240 34 HB2 ALA 7 HB2 ALA 7 6.370 -13.235 6.753 35 HB3 ALA 7 HB3 ALA 7 6.312 -11.473 6.722 36 H GLY 8 H GLY 8 4.082 -10.319 6.211 37 HA2 GLY 8 HA2 GLY 8 2.894 -8.361 6.690 38 HA3 GLY 8 HA3 GLY 8 2.785 -8.865 8.370 39 H ALA 9 H ALA 9 5.668 -9.377 8.570 40 HA ALA 9 HA ALA 9 6.480 -6.814 9.446 41 HB1 ALA 9 HB1 ALA 9 7.836 -9.463 9.180 42 HB2 ALA 9 HB2 ALA 9 8.778 -8.022 9.567 43 HB3 ALA 9 HB3 ALA 9 7.468 -8.531 10.632 44 H VAL 10 H VAL 10 8.428 -8.759 7.219 45 HA VAL 10 HA VAL 10 8.879 -6.324 5.622 46 HB VAL 10 HB VAL 10 10.873 -7.280 6.813 47 HG11 VAL 10 HG11 VAL 10 10.537 -9.524 4.826 48 HG12 VAL 10 HG12 VAL 10 11.897 -9.304 5.929 49 HG13 VAL 10 HG13 VAL 10 10.288 -9.647 6.567 50 HG21 VAL 10 HG21 VAL 10 10.929 -5.891 4.695 51 HG22 VAL 10 HG22 VAL 10 12.358 -6.871 5.021 52 HG23 VAL 10 HG23 VAL 10 11.178 -7.404 3.823 53 H ARG 11 H ARG 11 7.244 -9.174 5.570 54 HA ARG 11 HA ARG 11 7.790 -10.095 2.929 55 HB2 ARG 11 HB2 ARG 11 5.740 -10.669 5.015 56 HB3 ARG 11 HB3 ARG 11 5.386 -11.146 3.360 57 HG2 ARG 11 HG2 ARG 11 7.900 -11.941 4.803 58 HG3 ARG 11 HG3 ARG 11 6.428 -12.913 4.797 59 HD2 ARG 11 HD2 ARG 11 7.496 -13.860 3.023 60 HD3 ARG 11 HD3 ARG 11 6.650 -12.561 2.182 61 HE ARG 11 HE ARG 11 8.668 -11.536 1.782 62 HH11 ARG 11 HH11 ARG 11 9.092 -14.099 4.099 63 HH12 ARG 11 HH12 ARG 11 10.822 -14.035 4.048 64 HH21 ARG 11 HH21 ARG 11 10.946 -11.443 1.706 65 HH22 ARG 11 HH22 ARG 11 11.876 -12.524 2.687 66 H CYS 12 H CYS 12 6.273 -7.351 4.035 67 HA CYS 12 HA CYS 12 4.185 -7.187 2.060 68 HB2 CYS 12 HB2 CYS 12 4.287 -6.051 4.395 69 HB3 CYS 12 HB3 CYS 12 5.267 -4.835 3.583 70 H ARG 13 H ARG 13 5.556 -7.607 0.191 71 HA ARG 13 HA ARG 13 6.713 -5.115 -0.832 72 HB2 ARG 13 HB2 ARG 13 8.024 -7.835 -0.975 73 HB3 ARG 13 HB3 ARG 13 8.560 -6.424 -1.877 74 HG2 ARG 13 HG2 ARG 13 9.491 -5.442 -0.062 75 HG3 ARG 13 HG3 ARG 13 8.300 -6.116 1.052 76 HD2 ARG 13 HD2 ARG 13 10.415 -7.131 1.519 77 HD3 ARG 13 HD3 ARG 13 9.383 -8.339 0.756 78 HE ARG 13 HE ARG 13 10.801 -7.209 -1.299 79 HH11 ARG 13 HH11 ARG 13 11.587 -8.850 1.669 80 HH12 ARG 13 HH12 ARG 13 13.068 -9.514 1.063 81 HH21 ARG 13 HH21 ARG 13 12.749 -8.078 -2.109 82 HH22 ARG 13 HH22 ARG 13 13.728 -9.073 -1.086 83 H PHE 14 H PHE 14 6.546 -4.827 -3.060 84 HA PHE 14 HA PHE 14 4.315 -6.012 -4.302 85 HB2 PHE 14 HB2 PHE 14 5.429 -3.728 -4.765 86 HB3 PHE 14 HB3 PHE 14 6.510 -4.628 -5.823 87 HD1 PHE 14 HD1 PHE 14 3.176 -3.281 -5.381 88 HD2 PHE 14 HD2 PHE 14 5.630 -5.760 -7.821 89 HE1 PHE 14 HE1 PHE 14 1.513 -3.141 -7.190 90 HE2 PHE 14 HE2 PHE 14 3.971 -5.623 -9.634 91 HZ PHE 14 HZ PHE 14 1.910 -4.312 -9.319 92 H ALA 15 H ALA 15 7.695 -6.821 -4.289 93 HA ALA 15 HA ALA 15 7.971 -8.326 -6.585 94 HB1 ALA 15 HB1 ALA 15 9.987 -8.620 -5.713 95 HB2 ALA 15 HB2 ALA 15 9.418 -7.961 -4.179 96 HB3 ALA 15 HB3 ALA 15 9.316 -9.695 -4.486 97 H CYS 16 H CYS 16 6.380 -9.161 -3.572 98 HA CYS 16 HA CYS 16 6.144 -11.920 -3.901 99 HB2 CYS 16 HB2 CYS 16 4.961 -9.876 -2.231 100 HB3 CYS 16 HB3 CYS 16 3.757 -11.074 -2.695 101 H CYS 17 H CYS 17 4.258 -9.282 -5.251 102 HA CYS 17 HA CYS 17 2.134 -10.844 -6.273 103 HB2 CYS 17 HB2 CYS 17 3.050 -8.082 -6.466 104 HB3 CYS 17 HB3 CYS 17 2.354 -8.665 -7.975 105 HN1 NH2 18 H1 NH2 18 5.015 -9.489 -7.880 106 HN2 NH2 18 H2 NH2 18 5.076 -10.581 -9.191
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