NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
572347 | 2m79 | 19177 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -10.462 -0.529 1.616 2 HA2 GLY 1 2HA GLY 1 -11.060 -2.766 2.128 3 HA3 GLY 1 1HA GLY 1 -12.624 -2.491 1.372 4 H ASP 2 H ASP 2 -10.554 -1.126 -0.670 5 HA ASP 2 HA ASP 2 -10.425 -3.448 -2.425 6 HB2 ASP 2 2HB ASP 2 -11.354 -1.332 -3.296 7 HB3 ASP 2 1HB ASP 2 -9.874 -0.498 -2.860 8 H CYS 3 H CYS 3 -8.611 -4.612 -2.162 9 HA CYS 3 HA CYS 3 -6.309 -3.206 -1.135 10 HB2 CYS 3 2HB CYS 3 -6.754 -6.152 -1.333 11 HB3 CYS 3 1HB CYS 3 -5.358 -5.386 -0.606 12 H ARG 4 H ARG 4 -4.603 -2.889 -2.098 13 HA ARG 4 HA ARG 4 -4.025 -4.207 -4.689 14 HB2 ARG 4 2HB ARG 4 -3.713 -1.225 -4.181 15 HB3 ARG 4 1HB ARG 4 -3.286 -2.063 -5.667 16 HG2 ARG 4 2HG ARG 4 -6.072 -1.827 -4.543 17 HG3 ARG 4 1HG ARG 4 -5.411 -0.838 -5.843 18 HD2 ARG 4 2HD ARG 4 -5.322 -2.662 -7.323 19 HD3 ARG 4 1HD ARG 4 -5.474 -3.839 -6.021 20 HE ARG 4 HE ARG 4 -7.741 -2.295 -5.939 21 HH11 ARG 4 1HH1 ARG 4 -6.236 -4.383 -8.370 22 HH12 ARG 4 2HH1 ARG 4 -7.698 -5.039 -8.921 23 HH21 ARG 4 1HH2 ARG 4 -9.712 -3.217 -6.637 24 HH22 ARG 4 2HH2 ARG 4 -9.764 -4.356 -7.915 25 H CYS 5 H CYS 5 -1.882 -4.715 -4.990 26 HA CYS 5 HA CYS 5 -0.225 -4.076 -2.700 27 HB2 CYS 5 2HB CYS 5 0.226 -6.231 -4.723 28 HB3 CYS 5 1HB CYS 5 1.159 -5.959 -3.269 29 H LEU 6 H LEU 6 1.486 -3.010 -2.781 30 HA LEU 6 HA LEU 6 2.505 -2.123 -5.403 31 HB2 LEU 6 2HB LEU 6 1.882 -0.293 -3.073 32 HB3 LEU 6 1HB LEU 6 2.584 0.189 -4.601 33 HG LEU 6 HG LEU 6 -0.227 -0.872 -4.250 34 HD11 LEU 6 1HD1 LEU 6 -0.940 1.418 -4.675 35 HD12 LEU 6 2HD1 LEU 6 0.741 1.942 -4.705 36 HD13 LEU 6 3HD1 LEU 6 0.039 1.308 -3.211 37 HD21 LEU 6 3HD2 LEU 6 1.129 0.363 -6.645 38 HD22 LEU 6 1HD2 LEU 6 -0.566 -0.109 -6.549 39 HD23 LEU 6 2HD2 LEU 6 0.694 -1.340 -6.468 40 H CYS 7 H CYS 7 4.734 -1.247 -5.191 41 HA CYS 7 HA CYS 7 5.898 -2.099 -2.676 42 HB2 CYS 7 2HB CYS 7 7.267 -2.105 -5.389 43 HB3 CYS 7 1HB CYS 7 8.024 -2.565 -3.867 44 H ARG 8 H ARG 8 6.887 -0.664 -1.519 45 HA ARG 8 HA ARG 8 7.311 1.963 -2.733 46 HB2 ARG 8 2HB ARG 8 5.519 1.974 -1.082 47 HB3 ARG 8 1HB ARG 8 6.575 1.233 0.107 48 HG2 ARG 8 2HG ARG 8 6.351 3.579 0.593 49 HG3 ARG 8 1HG ARG 8 7.999 3.259 0.058 50 HD2 ARG 8 2HD ARG 8 7.345 4.017 -2.217 51 HD3 ARG 8 1HD ARG 8 5.762 4.448 -1.563 52 HE ARG 8 HE ARG 8 7.786 5.644 -0.043 53 HH11 ARG 8 1HH1 ARG 8 6.139 5.958 -3.151 54 HH12 ARG 8 2HH1 ARG 8 6.566 7.597 -3.363 55 HH21 ARG 8 1HH2 ARG 8 8.327 7.910 -0.331 56 HH22 ARG 8 2HH2 ARG 8 7.786 8.726 -1.729 57 H ARG 9 H ARG 9 9.395 1.876 -3.268 58 HA ARG 9 HA ARG 9 11.623 2.177 -3.076 59 HB2 ARG 9 2HB ARG 9 11.014 2.449 -0.155 60 HB3 ARG 9 1HB ARG 9 12.556 2.882 -0.887 61 HG2 ARG 9 2HG ARG 9 9.893 4.179 -1.501 62 HG3 ARG 9 1HG ARG 9 11.152 4.865 -0.477 63 HD2 ARG 9 2HD ARG 9 11.448 4.210 -3.418 64 HD3 ARG 9 1HD ARG 9 11.158 5.812 -2.746 65 HE ARG 9 HE ARG 9 13.298 5.417 -1.497 66 HH11 ARG 9 1HH1 ARG 9 12.728 4.161 -4.777 67 HH12 ARG 9 2HH1 ARG 9 14.374 4.127 -5.197 68 HH21 ARG 9 1HH2 ARG 9 15.561 5.383 -2.105 69 HH22 ARG 9 2HH2 ARG 9 16.046 4.817 -3.627 70 H GLY 10 H GLY 10 10.366 -0.466 -2.684 71 HA2 GLY 10 2HA GLY 10 11.855 -2.425 -2.928 72 HA3 GLY 10 1HA GLY 10 12.726 -1.822 -1.524 73 H ASP 11 H ASP 11 10.020 -1.054 -0.360 74 HA ASP 11 HA ASP 11 9.573 -3.660 0.860 75 HB2 ASP 11 2HB ASP 11 9.781 -1.727 2.371 76 HB3 ASP 11 1HB ASP 11 8.418 -0.956 1.556 77 H CYS 12 H CYS 12 8.274 -4.900 -0.290 78 HA CYS 12 HA CYS 12 6.010 -3.689 -1.584 79 HB2 CYS 12 2HB CYS 12 6.744 -6.553 -1.410 80 HB3 CYS 12 1HB CYS 12 5.501 -5.872 -2.427 81 H ARG 13 H ARG 13 4.222 -3.579 -0.955 82 HA ARG 13 HA ARG 13 3.342 -4.958 1.492 83 HB2 ARG 13 2HB ARG 13 4.541 -2.744 1.976 84 HB3 ARG 13 1HB ARG 13 3.180 -1.963 1.200 85 HG2 ARG 13 2HG ARG 13 2.895 -1.886 3.576 86 HG3 ARG 13 1HG ARG 13 1.685 -2.969 2.886 87 HD2 ARG 13 2HD ARG 13 2.724 -3.863 4.952 88 HD3 ARG 13 1HD ARG 13 2.960 -4.905 3.556 89 HE ARG 13 HE ARG 13 5.198 -3.396 3.559 90 HH11 ARG 13 1HH1 ARG 13 3.653 -5.254 6.184 91 HH12 ARG 13 2HH1 ARG 13 5.144 -5.677 6.898 92 HH21 ARG 13 1HH2 ARG 13 7.201 -4.015 4.579 93 HH22 ARG 13 2HH2 ARG 13 7.162 -4.976 5.989 94 H CYS 14 H CYS 14 1.032 -5.003 1.645 95 HA CYS 14 HA CYS 14 -0.201 -4.043 -0.773 96 HB2 CYS 14 2HB CYS 14 -1.171 -6.221 1.082 97 HB3 CYS 14 1HB CYS 14 -2.011 -5.695 -0.376 98 H ILE 15 H ILE 15 -1.454 -2.381 -0.697 99 HA ILE 15 HA ILE 15 -2.265 -1.444 1.936 100 HB ILE 15 HB ILE 15 -0.772 0.089 0.734 101 HG12 ILE 15 2HG1 ILE 15 -2.207 2.151 0.693 102 HG13 ILE 15 1HG1 ILE 15 -3.611 1.115 0.892 103 HG21 ILE 15 1HG2 ILE 15 -1.197 -0.528 -1.546 104 HG22 ILE 15 2HG2 ILE 15 -1.446 1.205 -1.349 105 HG23 ILE 15 3HG2 ILE 15 -2.834 0.121 -1.459 106 HD11 ILE 15 3HD1 ILE 15 -2.759 0.365 3.048 107 HD12 ILE 15 1HD1 ILE 15 -2.934 2.118 2.997 108 HD13 ILE 15 2HD1 ILE 15 -1.336 1.383 2.842 109 H CYS 16 H CYS 16 -4.385 -1.098 2.336 110 HA CYS 16 HA CYS 16 -6.146 -1.785 0.146 111 HB2 CYS 16 2HB CYS 16 -6.648 -2.143 3.104 112 HB3 CYS 16 1HB CYS 16 -7.769 -2.579 1.820 113 H THR 17 H THR 17 -7.528 -0.355 -0.524 114 HA THR 17 HA THR 17 -7.955 2.039 1.158 115 HB THR 17 HB THR 17 -8.221 1.998 -1.797 116 HG1 THR 17 1HG THR 17 -6.114 1.640 -1.822 117 HG21 THR 17 3HG2 THR 17 -7.706 4.413 -1.567 118 HG22 THR 17 1HG2 THR 17 -7.568 4.194 0.175 119 HG23 THR 17 2HG2 THR 17 -9.114 3.929 -0.626 120 H ARG 18 H ARG 18 -9.978 2.150 1.757 121 HA ARG 18 HA ARG 18 -12.236 1.882 1.981 122 HB2 ARG 18 2HB ARG 18 -12.133 1.802 -1.022 123 HB3 ARG 18 1HB ARG 18 -13.581 2.054 -0.052 124 HG2 ARG 18 2HG ARG 18 -12.742 4.150 0.765 125 HG3 ARG 18 1HG ARG 18 -11.193 3.883 -0.038 126 HD2 ARG 18 2HD ARG 18 -12.296 3.945 -2.204 127 HD3 ARG 18 1HD ARG 18 -13.858 4.185 -1.423 128 HE ARG 18 HE ARG 18 -12.396 6.204 -0.456 129 HH11 ARG 18 1HH1 ARG 18 -12.968 5.121 -3.783 130 HH12 ARG 18 2HH1 ARG 18 -12.868 6.673 -4.458 131 HH21 ARG 18 1HH2 ARG 18 -12.258 8.343 -1.398 132 HH22 ARG 18 2HH2 ARG 18 -12.434 8.545 -3.070 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -11.396 -1.164 1.228 2 HA2 GLY 1 2HA GLY 1 -11.974 -3.489 1.274 3 HA3 GLY 1 1HA GLY 1 -13.283 -3.139 0.146 4 H ASP 2 H ASP 2 -10.966 -1.431 -1.167 5 HA ASP 2 HA ASP 2 -10.204 -3.581 -2.980 6 HB2 ASP 2 2HB ASP 2 -11.072 -1.456 -3.956 7 HB3 ASP 2 1HB ASP 2 -9.757 -0.591 -3.168 8 H CYS 3 H CYS 3 -8.421 -4.622 -2.382 9 HA CYS 3 HA CYS 3 -6.487 -3.053 -0.980 10 HB2 CYS 3 2HB CYS 3 -6.574 -6.030 -1.388 11 HB3 CYS 3 1HB CYS 3 -5.357 -5.165 -0.471 12 H ARG 4 H ARG 4 -4.645 -2.606 -1.669 13 HA ARG 4 HA ARG 4 -3.863 -3.569 -4.306 14 HB2 ARG 4 2HB ARG 4 -3.221 -1.234 -4.937 15 HB3 ARG 4 1HB ARG 4 -4.954 -1.491 -4.793 16 HG2 ARG 4 2HG ARG 4 -4.789 -0.482 -2.492 17 HG3 ARG 4 1HG ARG 4 -3.120 -0.057 -2.887 18 HD2 ARG 4 2HD ARG 4 -4.591 1.831 -3.308 19 HD3 ARG 4 1HD ARG 4 -3.922 1.231 -4.825 20 HE ARG 4 HE ARG 4 -6.339 -0.074 -4.464 21 HH11 ARG 4 1HH1 ARG 4 -5.359 3.324 -4.842 22 HH12 ARG 4 2HH1 ARG 4 -6.783 3.778 -5.644 23 HH21 ARG 4 1HH2 ARG 4 -8.186 0.497 -5.500 24 HH22 ARG 4 2HH2 ARG 4 -8.500 2.094 -6.052 25 H CYS 5 H CYS 5 -1.793 -4.069 -4.455 26 HA CYS 5 HA CYS 5 -0.216 -3.382 -2.139 27 HB2 CYS 5 2HB CYS 5 0.267 -5.590 -4.107 28 HB3 CYS 5 1HB CYS 5 1.225 -5.277 -2.674 29 H LEU 6 H LEU 6 1.515 -2.292 -2.266 30 HA LEU 6 HA LEU 6 2.406 -1.500 -4.942 31 HB2 LEU 6 2HB LEU 6 2.833 0.771 -4.237 32 HB3 LEU 6 1HB LEU 6 1.157 0.382 -3.945 33 HG LEU 6 HG LEU 6 3.255 0.417 -1.756 34 HD11 LEU 6 1HD1 LEU 6 3.090 2.624 -2.782 35 HD12 LEU 6 2HD1 LEU 6 2.377 2.624 -1.170 36 HD13 LEU 6 3HD1 LEU 6 1.337 2.596 -2.595 37 HD21 LEU 6 3HD2 LEU 6 0.235 0.514 -1.680 38 HD22 LEU 6 1HD2 LEU 6 1.299 0.649 -0.279 39 HD23 LEU 6 2HD2 LEU 6 1.244 -0.851 -1.199 40 H CYS 7 H CYS 7 4.593 -1.197 -5.216 41 HA CYS 7 HA CYS 7 6.087 -2.130 -2.947 42 HB2 CYS 7 2HB CYS 7 6.793 -2.377 -5.887 43 HB3 CYS 7 1HB CYS 7 7.848 -2.860 -4.569 44 H ARG 8 H ARG 8 7.616 -0.819 -2.126 45 HA ARG 8 HA ARG 8 8.341 1.590 -3.614 46 HB2 ARG 8 2HB ARG 8 6.307 1.886 -2.074 47 HB3 ARG 8 1HB ARG 8 7.418 1.611 -0.747 48 HG2 ARG 8 2HG ARG 8 7.120 3.954 -0.999 49 HG3 ARG 8 1HG ARG 8 8.748 3.555 -1.565 50 HD2 ARG 8 2HD ARG 8 7.965 3.584 -3.872 51 HD3 ARG 8 1HD ARG 8 6.327 3.911 -3.314 52 HE ARG 8 HE ARG 8 8.269 5.818 -2.449 53 HH11 ARG 8 1HH1 ARG 8 6.109 4.895 -5.109 54 HH12 ARG 8 2HH1 ARG 8 5.948 6.466 -5.723 55 HH21 ARG 8 1HH2 ARG 8 8.089 8.010 -3.335 56 HH22 ARG 8 2HH2 ARG 8 7.113 8.259 -4.707 57 H ARG 9 H ARG 9 10.533 1.700 -3.481 58 HA ARG 9 HA ARG 9 12.669 1.689 -2.675 59 HB2 ARG 9 2HB ARG 9 11.265 1.429 -0.052 60 HB3 ARG 9 1HB ARG 9 13.004 1.603 -0.182 61 HG2 ARG 9 2HG ARG 9 12.688 3.768 -1.271 62 HG3 ARG 9 1HG ARG 9 10.938 3.569 -1.120 63 HD2 ARG 9 2HD ARG 9 11.886 5.002 0.646 64 HD3 ARG 9 1HD ARG 9 11.110 3.554 1.292 65 HE ARG 9 HE ARG 9 13.776 2.932 0.955 66 HH11 ARG 9 1HH1 ARG 9 11.955 5.282 2.886 67 HH12 ARG 9 2HH1 ARG 9 13.094 5.288 4.154 68 HH21 ARG 9 1HH2 ARG 9 15.262 2.932 2.697 69 HH22 ARG 9 2HH2 ARG 9 14.992 3.927 4.059 70 H GLY 10 H GLY 10 11.136 -0.823 -3.235 71 HA2 GLY 10 2HA GLY 10 12.088 -2.968 -3.552 72 HA3 GLY 10 1HA GLY 10 13.216 -2.629 -2.247 73 H ASP 11 H ASP 11 10.509 -1.581 -0.982 74 HA ASP 11 HA ASP 11 9.924 -4.126 0.330 75 HB2 ASP 11 2HB ASP 11 10.569 -2.340 1.843 76 HB3 ASP 11 1HB ASP 11 9.400 -1.249 1.111 77 H CYS 12 H CYS 12 8.137 -5.154 -0.358 78 HA CYS 12 HA CYS 12 6.103 -3.516 -1.609 79 HB2 CYS 12 2HB CYS 12 6.286 -6.496 -1.521 80 HB3 CYS 12 1HB CYS 12 5.088 -5.568 -2.388 81 H ARG 13 H ARG 13 4.352 -3.174 -0.868 82 HA ARG 13 HA ARG 13 3.542 -4.482 1.641 83 HB2 ARG 13 2HB ARG 13 5.027 -2.506 2.093 84 HB3 ARG 13 1HB ARG 13 3.781 -1.490 1.394 85 HG2 ARG 13 2HG ARG 13 2.342 -1.815 3.179 86 HG3 ARG 13 1HG ARG 13 3.170 -3.286 3.704 87 HD2 ARG 13 2HD ARG 13 4.276 -0.480 3.828 88 HD3 ARG 13 1HD ARG 13 3.713 -1.453 5.195 89 HE ARG 13 HE ARG 13 6.046 -2.171 3.511 90 HH11 ARG 13 1HH1 ARG 13 4.627 -1.859 6.745 91 HH12 ARG 13 2HH1 ARG 13 5.857 -2.775 7.488 92 HH21 ARG 13 1HH2 ARG 13 7.687 -3.419 4.513 93 HH22 ARG 13 2HH2 ARG 13 7.618 -3.712 6.192 94 H CYS 14 H CYS 14 1.268 -4.192 2.161 95 HA CYS 14 HA CYS 14 -0.135 -3.337 -0.219 96 HB2 CYS 14 2HB CYS 14 -0.981 -5.484 1.728 97 HB3 CYS 14 1HB CYS 14 -1.873 -4.994 0.293 98 H ILE 15 H ILE 15 -1.925 -2.118 -0.074 99 HA ILE 15 HA ILE 15 -2.735 -1.258 2.612 100 HB ILE 15 HB ILE 15 -1.420 0.577 1.626 101 HG12 ILE 15 2HG1 ILE 15 -4.393 1.178 1.545 102 HG13 ILE 15 1HG1 ILE 15 -3.367 1.239 2.971 103 HG21 ILE 15 1HG2 ILE 15 -1.606 -0.015 -0.714 104 HG22 ILE 15 2HG2 ILE 15 -2.049 1.674 -0.448 105 HG23 ILE 15 3HG2 ILE 15 -3.308 0.466 -0.714 106 HD11 ILE 15 3HD1 ILE 15 -2.123 3.097 1.976 107 HD12 ILE 15 1HD1 ILE 15 -3.841 3.463 2.128 108 HD13 ILE 15 2HD1 ILE 15 -3.166 3.027 0.558 109 H CYS 16 H CYS 16 -4.963 -0.996 2.850 110 HA CYS 16 HA CYS 16 -6.450 -1.772 0.487 111 HB2 CYS 16 2HB CYS 16 -7.129 -2.405 3.365 112 HB3 CYS 16 1HB CYS 16 -8.170 -2.774 1.997 113 H THR 17 H THR 17 -8.148 -0.536 -0.115 114 HA THR 17 HA THR 17 -9.066 1.519 1.757 115 HB THR 17 HB THR 17 -8.484 2.087 -1.103 116 HG1 THR 17 1HG THR 17 -6.813 1.984 1.115 117 HG21 THR 17 3HG2 THR 17 -8.905 3.901 1.276 118 HG22 THR 17 1HG2 THR 17 -10.050 3.613 -0.032 119 HG23 THR 17 2HG2 THR 17 -8.538 4.453 -0.356 120 H ARG 18 H ARG 18 -11.131 1.431 1.809 121 HA ARG 18 HA ARG 18 -13.338 0.996 1.466 122 HB2 ARG 18 2HB ARG 18 -12.635 1.466 -1.400 123 HB3 ARG 18 1HB ARG 18 -14.265 1.464 -0.724 124 HG2 ARG 18 2HG ARG 18 -12.074 3.436 -0.093 125 HG3 ARG 18 1HG ARG 18 -13.527 3.741 -1.054 126 HD2 ARG 18 2HD ARG 18 -14.919 3.358 0.886 127 HD3 ARG 18 1HD ARG 18 -13.509 2.937 1.849 128 HE ARG 18 HE ARG 18 -13.314 5.511 0.671 129 HH11 ARG 18 1HH1 ARG 18 -14.697 3.756 3.400 130 HH12 ARG 18 2HH1 ARG 18 -14.675 5.101 4.454 131 HH21 ARG 18 1HH2 ARG 18 -13.279 7.333 2.105 132 HH22 ARG 18 2HH2 ARG 18 -13.820 7.177 3.701 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -12.089 -0.909 -0.040 2 HA2 GLY 1 2HA GLY 1 -12.016 -3.473 1.310 3 HA3 GLY 1 1HA GLY 1 -13.399 -3.346 0.236 4 H ASP 2 H ASP 2 -11.093 -1.488 -1.284 5 HA ASP 2 HA ASP 2 -10.382 -3.637 -3.071 6 HB2 ASP 2 2HB ASP 2 -9.970 -0.633 -3.199 7 HB3 ASP 2 1HB ASP 2 -9.465 -1.760 -4.444 8 H CYS 3 H CYS 3 -8.548 -4.664 -2.502 9 HA CYS 3 HA CYS 3 -6.576 -3.050 -1.147 10 HB2 CYS 3 2HB CYS 3 -6.736 -6.031 -1.406 11 HB3 CYS 3 1HB CYS 3 -5.411 -5.187 -0.634 12 H ARG 4 H ARG 4 -4.707 -2.649 -1.896 13 HA ARG 4 HA ARG 4 -3.910 -3.780 -4.496 14 HB2 ARG 4 2HB ARG 4 -5.051 -1.606 -4.888 15 HB3 ARG 4 1HB ARG 4 -3.904 -0.832 -3.820 16 HG2 ARG 4 2HG ARG 4 -2.103 -1.230 -5.340 17 HG3 ARG 4 1HG ARG 4 -3.132 -2.254 -6.351 18 HD2 ARG 4 2HD ARG 4 -3.562 0.687 -5.835 19 HD3 ARG 4 1HD ARG 4 -2.854 -0.006 -7.297 20 HE ARG 4 HE ARG 4 -5.199 -1.301 -7.064 21 HH11 ARG 4 1HH1 ARG 4 -4.371 2.142 -7.199 22 HH12 ARG 4 2HH1 ARG 4 -5.816 2.623 -7.949 23 HH21 ARG 4 1HH2 ARG 4 -7.216 -0.633 -8.090 24 HH22 ARG 4 2HH2 ARG 4 -7.466 0.992 -8.499 25 H CYS 5 H CYS 5 -1.701 -4.127 -4.674 26 HA CYS 5 HA CYS 5 -0.237 -3.306 -2.317 27 HB2 CYS 5 2HB CYS 5 0.302 -5.660 -4.097 28 HB3 CYS 5 1HB CYS 5 1.220 -5.225 -2.664 29 H LEU 6 H LEU 6 1.672 -2.362 -2.437 30 HA LEU 6 HA LEU 6 2.664 -1.689 -5.118 31 HB2 LEU 6 2HB LEU 6 1.232 0.156 -4.297 32 HB3 LEU 6 1HB LEU 6 2.227 0.276 -2.863 33 HG LEU 6 HG LEU 6 4.153 0.911 -4.297 34 HD11 LEU 6 1HD1 LEU 6 3.733 1.590 -6.612 35 HD12 LEU 6 2HD1 LEU 6 2.093 0.952 -6.491 36 HD13 LEU 6 3HD1 LEU 6 3.473 -0.134 -6.363 37 HD21 LEU 6 3HD2 LEU 6 3.364 3.183 -4.777 38 HD22 LEU 6 1HD2 LEU 6 2.812 2.624 -3.198 39 HD23 LEU 6 2HD2 LEU 6 1.701 2.641 -4.566 40 H CYS 7 H CYS 7 4.907 -1.448 -5.211 41 HA CYS 7 HA CYS 7 6.243 -2.071 -2.708 42 HB2 CYS 7 2HB CYS 7 7.304 -2.510 -5.516 43 HB3 CYS 7 1HB CYS 7 8.030 -3.079 -4.016 44 H ARG 8 H ARG 8 7.611 -0.692 -1.874 45 HA ARG 8 HA ARG 8 8.599 1.470 -3.549 46 HB2 ARG 8 2HB ARG 8 6.631 2.332 -2.335 47 HB3 ARG 8 1HB ARG 8 7.359 1.847 -0.810 48 HG2 ARG 8 2HG ARG 8 9.134 3.430 -1.091 49 HG3 ARG 8 1HG ARG 8 8.563 3.845 -2.705 50 HD2 ARG 8 2HD ARG 8 6.486 4.708 -1.718 51 HD3 ARG 8 1HD ARG 8 7.089 4.299 -0.110 52 HE ARG 8 HE ARG 8 8.938 5.932 -1.477 53 HH11 ARG 8 1HH1 ARG 8 5.772 6.185 0.109 54 HH12 ARG 8 2HH1 ARG 8 6.007 7.773 0.648 55 HH21 ARG 8 1HH2 ARG 8 9.249 8.143 -0.755 56 HH22 ARG 8 2HH2 ARG 8 8.027 8.921 0.133 57 H ARG 9 H ARG 9 10.676 1.705 -3.362 58 HA ARG 9 HA ARG 9 12.836 1.643 -2.698 59 HB2 ARG 9 2HB ARG 9 11.740 1.249 0.088 60 HB3 ARG 9 1HB ARG 9 13.422 1.570 -0.290 61 HG2 ARG 9 2HG ARG 9 12.858 3.768 -1.113 62 HG3 ARG 9 1HG ARG 9 11.138 3.443 -0.903 63 HD2 ARG 9 2HD ARG 9 13.233 3.633 1.260 64 HD3 ARG 9 1HD ARG 9 11.908 4.759 0.966 65 HE ARG 9 HE ARG 9 11.494 1.954 1.768 66 HH11 ARG 9 1HH1 ARG 9 10.664 5.383 2.190 67 HH12 ARG 9 2HH1 ARG 9 9.452 5.073 3.345 68 HH21 ARG 9 1HH2 ARG 9 9.859 1.553 3.322 69 HH22 ARG 9 2HH2 ARG 9 8.976 2.839 3.992 70 H GLY 10 H GLY 10 11.009 -0.905 -2.930 71 HA2 GLY 10 2HA GLY 10 11.999 -3.036 -3.424 72 HA3 GLY 10 1HA GLY 10 13.166 -2.742 -2.140 73 H ASP 11 H ASP 11 10.375 -1.651 -0.899 74 HA ASP 11 HA ASP 11 9.820 -4.240 0.337 75 HB2 ASP 11 2HB ASP 11 10.454 -2.475 1.916 76 HB3 ASP 11 1HB ASP 11 9.171 -1.442 1.299 77 H CYS 12 H CYS 12 7.985 -5.229 -0.219 78 HA CYS 12 HA CYS 12 5.992 -3.604 -1.561 79 HB2 CYS 12 2HB CYS 12 6.053 -6.558 -1.287 80 HB3 CYS 12 1HB CYS 12 4.935 -5.637 -2.250 81 H ARG 13 H ARG 13 4.403 -3.025 -0.787 82 HA ARG 13 HA ARG 13 3.512 -4.067 1.820 83 HB2 ARG 13 2HB ARG 13 5.069 -2.023 1.900 84 HB3 ARG 13 1HB ARG 13 3.744 -1.129 1.190 85 HG2 ARG 13 2HG ARG 13 3.924 -0.846 3.622 86 HG3 ARG 13 1HG ARG 13 2.377 -1.541 3.132 87 HD2 ARG 13 2HD ARG 13 3.487 -2.601 5.145 88 HD3 ARG 13 1HD ARG 13 2.997 -3.699 3.864 89 HE ARG 13 HE ARG 13 5.713 -2.935 3.509 90 HH11 ARG 13 1HH1 ARG 13 3.734 -4.860 5.724 91 HH12 ARG 13 2HH1 ARG 13 4.904 -6.082 5.927 92 HH21 ARG 13 1HH2 ARG 13 7.347 -4.593 3.827 93 HH22 ARG 13 2HH2 ARG 13 6.999 -5.909 4.851 94 H CYS 14 H CYS 14 1.250 -4.017 2.054 95 HA CYS 14 HA CYS 14 -0.060 -3.189 -0.378 96 HB2 CYS 14 2HB CYS 14 -1.006 -5.172 1.685 97 HB3 CYS 14 1HB CYS 14 -1.877 -4.746 0.217 98 H ILE 15 H ILE 15 -1.914 -1.967 -0.399 99 HA ILE 15 HA ILE 15 -2.682 -0.752 2.134 100 HB ILE 15 HB ILE 15 -1.354 0.872 0.864 101 HG12 ILE 15 2HG1 ILE 15 -3.030 2.713 0.553 102 HG13 ILE 15 1HG1 ILE 15 -4.305 1.525 0.781 103 HG21 ILE 15 1HG2 ILE 15 -2.009 1.694 -1.345 104 HG22 ILE 15 2HG2 ILE 15 -3.251 0.444 -1.423 105 HG23 ILE 15 3HG2 ILE 15 -1.550 -0.009 -1.358 106 HD11 ILE 15 3HD1 ILE 15 -3.878 2.807 2.807 107 HD12 ILE 15 1HD1 ILE 15 -2.206 2.252 2.810 108 HD13 ILE 15 2HD1 ILE 15 -3.521 1.096 3.039 109 H CYS 16 H CYS 16 -4.864 -0.717 2.475 110 HA CYS 16 HA CYS 16 -6.450 -1.661 0.246 111 HB2 CYS 16 2HB CYS 16 -6.883 -2.168 3.196 112 HB3 CYS 16 1HB CYS 16 -8.035 -2.612 1.942 113 H THR 17 H THR 17 -8.273 -0.565 -0.266 114 HA THR 17 HA THR 17 -8.943 1.797 1.383 115 HB THR 17 HB THR 17 -9.289 1.607 -1.534 116 HG1 THR 17 1HG THR 17 -6.983 2.178 0.014 117 HG21 THR 17 3HG2 THR 17 -10.447 3.421 -0.427 118 HG22 THR 17 1HG2 THR 17 -9.141 4.096 -1.400 119 HG23 THR 17 2HG2 THR 17 -8.952 3.950 0.347 120 H ARG 18 H ARG 18 -10.799 1.332 2.177 121 HA ARG 18 HA ARG 18 -12.998 0.898 2.576 122 HB2 ARG 18 2HB ARG 18 -13.268 0.582 -0.420 123 HB3 ARG 18 1HB ARG 18 -14.564 0.783 0.758 124 HG2 ARG 18 2HG ARG 18 -14.035 3.037 1.121 125 HG3 ARG 18 1HG ARG 18 -12.454 2.870 0.350 126 HD2 ARG 18 2HD ARG 18 -15.143 2.697 -0.997 127 HD3 ARG 18 1HD ARG 18 -13.986 4.015 -1.162 128 HE ARG 18 HE ARG 18 -13.637 1.271 -2.145 129 HH11 ARG 18 1HH1 ARG 18 -12.724 4.682 -2.315 130 HH12 ARG 18 2HH1 ARG 18 -11.796 4.523 -3.720 131 HH21 ARG 18 1HH2 ARG 18 -12.311 1.019 -4.030 132 HH22 ARG 18 2HH2 ARG 18 -11.571 2.392 -4.739 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -12.085 -1.463 -0.312 2 HA2 GLY 1 2HA GLY 1 -12.239 -4.265 0.545 3 HA3 GLY 1 1HA GLY 1 -13.491 -3.799 -0.592 4 H ASP 2 H ASP 2 -10.651 -2.070 -1.149 5 HA ASP 2 HA ASP 2 -9.827 -3.957 -3.224 6 HB2 ASP 2 2HB ASP 2 -10.946 -2.101 -4.289 7 HB3 ASP 2 1HB ASP 2 -10.046 -0.937 -3.323 8 H CYS 3 H CYS 3 -7.941 -4.778 -2.533 9 HA CYS 3 HA CYS 3 -6.182 -3.014 -1.099 10 HB2 CYS 3 2HB CYS 3 -5.871 -5.927 -1.674 11 HB3 CYS 3 1HB CYS 3 -4.744 -4.972 -0.736 12 H ARG 4 H ARG 4 -4.729 -2.075 -1.799 13 HA ARG 4 HA ARG 4 -3.760 -2.413 -4.582 14 HB2 ARG 4 2HB ARG 4 -3.729 0.072 -2.867 15 HB3 ARG 4 1HB ARG 4 -3.412 -0.042 -4.595 16 HG2 ARG 4 2HG ARG 4 -5.700 -0.558 -5.041 17 HG3 ARG 4 1HG ARG 4 -6.052 -0.680 -3.321 18 HD2 ARG 4 2HD ARG 4 -5.454 1.702 -3.080 19 HD3 ARG 4 1HD ARG 4 -5.250 1.797 -4.829 20 HE ARG 4 HE ARG 4 -7.691 0.731 -4.540 21 HH11 ARG 4 1HH1 ARG 4 -6.171 3.648 -3.230 22 HH12 ARG 4 2HH1 ARG 4 -7.602 4.556 -3.131 23 HH21 ARG 4 1HH2 ARG 4 -9.701 1.980 -4.385 24 HH22 ARG 4 2HH2 ARG 4 -9.695 3.561 -3.800 25 H CYS 5 H CYS 5 -1.662 -3.097 -4.595 26 HA CYS 5 HA CYS 5 -0.211 -2.560 -2.168 27 HB2 CYS 5 2HB CYS 5 0.359 -4.625 -4.263 28 HB3 CYS 5 1HB CYS 5 1.377 -4.326 -2.865 29 H LEU 6 H LEU 6 1.562 -1.570 -2.055 30 HA LEU 6 HA LEU 6 2.560 -0.204 -4.447 31 HB2 LEU 6 2HB LEU 6 1.408 1.269 -2.834 32 HB3 LEU 6 1HB LEU 6 2.464 0.694 -1.562 33 HG LEU 6 HG LEU 6 4.387 1.712 -2.765 34 HD11 LEU 6 1HD1 LEU 6 3.485 1.707 -5.014 35 HD12 LEU 6 2HD1 LEU 6 3.947 3.339 -4.529 36 HD13 LEU 6 3HD1 LEU 6 2.245 2.864 -4.534 37 HD21 LEU 6 3HD2 LEU 6 2.131 3.589 -2.077 38 HD22 LEU 6 1HD2 LEU 6 3.839 4.019 -2.174 39 HD23 LEU 6 2HD2 LEU 6 3.281 2.889 -0.937 40 H CYS 7 H CYS 7 4.366 -1.378 -4.943 41 HA CYS 7 HA CYS 7 6.058 -2.118 -2.715 42 HB2 CYS 7 2HB CYS 7 6.172 -3.023 -5.607 43 HB3 CYS 7 1HB CYS 7 7.246 -3.586 -4.333 44 H ARG 8 H ARG 8 7.731 -0.870 -2.284 45 HA ARG 8 HA ARG 8 9.085 0.560 -4.406 46 HB2 ARG 8 2HB ARG 8 7.927 1.933 -1.948 47 HB3 ARG 8 1HB ARG 8 9.031 2.686 -3.093 48 HG2 ARG 8 2HG ARG 8 6.292 1.639 -3.804 49 HG3 ARG 8 1HG ARG 8 6.653 3.324 -3.432 50 HD2 ARG 8 2HD ARG 8 7.962 3.575 -5.365 51 HD3 ARG 8 1HD ARG 8 8.136 1.839 -5.588 52 HE ARG 8 HE ARG 8 5.618 1.945 -6.004 53 HH11 ARG 8 1HH1 ARG 8 7.828 4.544 -6.896 54 HH12 ARG 8 2HH1 ARG 8 7.007 4.960 -8.323 55 HH21 ARG 8 1HH2 ARG 8 4.516 2.463 -7.997 56 HH22 ARG 8 2HH2 ARG 8 5.103 3.739 -8.974 57 H ARG 9 H ARG 9 11.183 0.851 -3.971 58 HA ARG 9 HA ARG 9 13.261 0.599 -3.058 59 HB2 ARG 9 2HB ARG 9 11.891 0.588 -0.388 60 HB3 ARG 9 1HB ARG 9 13.589 0.941 -0.685 61 HG2 ARG 9 2HG ARG 9 11.236 2.618 -1.532 62 HG3 ARG 9 1HG ARG 9 12.334 2.965 -0.202 63 HD2 ARG 9 2HD ARG 9 14.168 3.258 -1.761 64 HD3 ARG 9 1HD ARG 9 13.121 2.809 -3.117 65 HE ARG 9 HE ARG 9 11.895 4.846 -1.734 66 HH11 ARG 9 1HH1 ARG 9 14.847 4.542 -3.656 67 HH12 ARG 9 2HH1 ARG 9 14.785 6.145 -4.230 68 HH21 ARG 9 1HH2 ARG 9 11.807 6.996 -2.531 69 HH22 ARG 9 2HH2 ARG 9 13.019 7.564 -3.583 70 H GLY 10 H GLY 10 11.463 -1.655 -3.566 71 HA2 GLY 10 2HA GLY 10 11.737 -3.955 -3.614 72 HA3 GLY 10 1HA GLY 10 13.159 -3.763 -2.590 73 H ASP 11 H ASP 11 10.197 -2.338 -1.565 74 HA ASP 11 HA ASP 11 9.672 -4.573 0.257 75 HB2 ASP 11 2HB ASP 11 10.966 -2.966 1.513 76 HB3 ASP 11 1HB ASP 11 9.963 -1.642 0.934 77 H CYS 12 H CYS 12 7.571 -5.150 0.151 78 HA CYS 12 HA CYS 12 5.783 -3.295 -1.201 79 HB2 CYS 12 2HB CYS 12 5.325 -6.161 -0.578 80 HB3 CYS 12 1HB CYS 12 4.236 -5.127 -1.455 81 H ARG 13 H ARG 13 4.291 -2.386 -0.462 82 HA ARG 13 HA ARG 13 3.209 -3.085 2.201 83 HB2 ARG 13 2HB ARG 13 3.734 -0.263 1.186 84 HB3 ARG 13 1HB ARG 13 2.921 -0.657 2.695 85 HG2 ARG 13 2HG ARG 13 5.752 -1.425 2.023 86 HG3 ARG 13 1HG ARG 13 5.292 -0.031 3.009 87 HD2 ARG 13 2HD ARG 13 4.560 -1.343 4.753 88 HD3 ARG 13 1HD ARG 13 4.278 -2.750 3.749 89 HE ARG 13 HE ARG 13 6.986 -2.213 3.667 90 HH11 ARG 13 1HH1 ARG 13 4.679 -2.972 6.187 91 HH12 ARG 13 2HH1 ARG 13 5.670 -4.076 7.016 92 HH21 ARG 13 1HH2 ARG 13 8.355 -3.716 4.703 93 HH22 ARG 13 2HH2 ARG 13 7.898 -4.503 6.153 94 H CYS 14 H CYS 14 1.072 -3.299 2.257 95 HA CYS 14 HA CYS 14 -0.270 -2.499 -0.188 96 HB2 CYS 14 2HB CYS 14 -0.938 -4.826 1.616 97 HB3 CYS 14 1HB CYS 14 -1.847 -4.370 0.180 98 H ILE 15 H ILE 15 -1.914 -1.243 -0.180 99 HA ILE 15 HA ILE 15 -3.001 -0.263 2.370 100 HB ILE 15 HB ILE 15 -3.118 0.937 -0.418 101 HG12 ILE 15 2HG1 ILE 15 -0.814 1.015 0.407 102 HG13 ILE 15 1HG1 ILE 15 -1.514 2.629 0.366 103 HG21 ILE 15 1HG2 ILE 15 -3.923 2.154 2.220 104 HG22 ILE 15 2HG2 ILE 15 -5.008 1.617 0.943 105 HG23 ILE 15 3HG2 ILE 15 -3.927 2.981 0.663 106 HD11 ILE 15 3HD1 ILE 15 -0.181 2.306 2.363 107 HD12 ILE 15 1HD1 ILE 15 -1.154 0.901 2.795 108 HD13 ILE 15 2HD1 ILE 15 -1.882 2.507 2.786 109 H CYS 16 H CYS 16 -5.103 -0.860 2.760 110 HA CYS 16 HA CYS 16 -6.542 -1.865 0.446 111 HB2 CYS 16 2HB CYS 16 -6.868 -2.688 3.332 112 HB3 CYS 16 1HB CYS 16 -7.904 -3.216 2.008 113 H THR 17 H THR 17 -8.021 -0.647 -0.266 114 HA THR 17 HA THR 17 -9.204 1.350 1.532 115 HB THR 17 HB THR 17 -9.283 1.218 -1.386 116 HG1 THR 17 1HG THR 17 -7.351 2.334 0.409 117 HG21 THR 17 3HG2 THR 17 -9.561 3.514 0.552 118 HG22 THR 17 1HG2 THR 17 -10.828 2.792 -0.436 119 HG23 THR 17 2HG2 THR 17 -9.522 3.714 -1.195 120 H ARG 18 H ARG 18 -10.817 0.397 2.278 121 HA ARG 18 HA ARG 18 -12.892 -0.318 2.717 122 HB2 ARG 18 2HB ARG 18 -13.319 0.626 -0.082 123 HB3 ARG 18 1HB ARG 18 -14.545 -0.304 0.754 124 HG2 ARG 18 2HG ARG 18 -15.064 2.060 0.898 125 HG3 ARG 18 1HG ARG 18 -14.670 1.444 2.493 126 HD2 ARG 18 2HD ARG 18 -12.657 2.852 0.765 127 HD3 ARG 18 1HD ARG 18 -13.754 3.737 1.823 128 HE ARG 18 HE ARG 18 -12.483 1.816 3.359 129 HH11 ARG 18 1HH1 ARG 18 -11.581 4.718 1.542 130 HH12 ARG 18 2HH1 ARG 18 -10.228 5.089 2.505 131 HH21 ARG 18 1HH2 ARG 18 -10.618 2.313 4.684 132 HH22 ARG 18 2HH2 ARG 18 -9.680 3.688 4.376 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -11.433 -0.827 1.126 2 HA2 GLY 1 2HA GLY 1 -12.209 -2.950 1.695 3 HA3 GLY 1 1HA GLY 1 -13.543 -2.743 0.564 4 H ASP 2 H ASP 2 -10.553 -1.852 -0.683 5 HA ASP 2 HA ASP 2 -10.247 -4.390 -2.135 6 HB2 ASP 2 2HB ASP 2 -11.355 -2.728 -3.558 7 HB3 ASP 2 1HB ASP 2 -10.113 -1.547 -3.180 8 H CYS 3 H CYS 3 -8.140 -5.138 -2.088 9 HA CYS 3 HA CYS 3 -6.293 -3.290 -0.852 10 HB2 CYS 3 2HB CYS 3 -5.989 -6.242 -1.174 11 HB3 CYS 3 1HB CYS 3 -4.861 -5.196 -0.340 12 H ARG 4 H ARG 4 -4.777 -2.459 -1.718 13 HA ARG 4 HA ARG 4 -4.013 -3.204 -4.471 14 HB2 ARG 4 2HB ARG 4 -5.226 -1.054 -4.332 15 HB3 ARG 4 1HB ARG 4 -4.054 -0.466 -3.165 16 HG2 ARG 4 2HG ARG 4 -3.630 0.490 -5.340 17 HG3 ARG 4 1HG ARG 4 -2.306 -0.584 -4.895 18 HD2 ARG 4 2HD ARG 4 -3.281 -2.348 -6.287 19 HD3 ARG 4 1HD ARG 4 -4.598 -1.269 -6.740 20 HE ARG 4 HE ARG 4 -2.337 0.083 -7.378 21 HH11 ARG 4 1HH1 ARG 4 -3.690 -3.057 -8.285 22 HH12 ARG 4 2HH1 ARG 4 -2.937 -3.102 -9.807 23 HH21 ARG 4 1HH2 ARG 4 -1.328 0.017 -9.508 24 HH22 ARG 4 2HH2 ARG 4 -1.579 -1.321 -10.520 25 H CYS 5 H CYS 5 -1.954 -3.908 -4.618 26 HA CYS 5 HA CYS 5 -0.234 -3.334 -2.383 27 HB2 CYS 5 2HB CYS 5 0.157 -5.316 -4.596 28 HB3 CYS 5 1HB CYS 5 1.197 -5.128 -3.196 29 H LEU 6 H LEU 6 1.523 -2.317 -2.396 30 HA LEU 6 HA LEU 6 2.438 -1.049 -4.897 31 HB2 LEU 6 2HB LEU 6 1.036 0.539 -3.659 32 HB3 LEU 6 1HB LEU 6 1.981 0.265 -2.213 33 HG LEU 6 HG LEU 6 3.953 1.253 -3.397 34 HD11 LEU 6 1HD1 LEU 6 3.565 2.589 -5.400 35 HD12 LEU 6 2HD1 LEU 6 1.911 1.980 -5.484 36 HD13 LEU 6 3HD1 LEU 6 3.268 0.872 -5.681 37 HD21 LEU 6 3HD2 LEU 6 1.516 3.016 -3.125 38 HD22 LEU 6 1HD2 LEU 6 3.188 3.574 -3.193 39 HD23 LEU 6 2HD2 LEU 6 2.647 2.582 -1.844 40 H CYS 7 H CYS 7 4.715 -0.746 -4.950 41 HA CYS 7 HA CYS 7 6.020 -1.796 -2.595 42 HB2 CYS 7 2HB CYS 7 7.025 -1.973 -5.449 43 HB3 CYS 7 1HB CYS 7 7.865 -2.605 -4.038 44 H ARG 8 H ARG 8 7.645 -0.612 -1.704 45 HA ARG 8 HA ARG 8 8.485 1.786 -3.126 46 HB2 ARG 8 2HB ARG 8 7.661 1.633 -0.221 47 HB3 ARG 8 1HB ARG 8 8.426 3.022 -0.975 48 HG2 ARG 8 2HG ARG 8 6.520 3.362 -2.406 49 HG3 ARG 8 1HG ARG 8 5.771 1.881 -1.810 50 HD2 ARG 8 2HD ARG 8 6.405 4.320 -0.152 51 HD3 ARG 8 1HD ARG 8 4.812 3.868 -0.770 52 HE ARG 8 HE ARG 8 6.026 1.801 0.758 53 HH11 ARG 8 1HH1 ARG 8 4.143 4.775 1.077 54 HH12 ARG 8 2HH1 ARG 8 3.471 4.356 2.586 55 HH21 ARG 8 1HH2 ARG 8 5.171 1.225 2.769 56 HH22 ARG 8 2HH2 ARG 8 4.105 2.254 3.616 57 H ARG 9 H ARG 9 10.608 1.688 -3.327 58 HA ARG 9 HA ARG 9 12.827 1.319 -2.982 59 HB2 ARG 9 2HB ARG 9 11.947 1.079 -0.117 60 HB3 ARG 9 1HB ARG 9 13.627 0.904 -0.592 61 HG2 ARG 9 2HG ARG 9 11.954 3.358 -1.102 62 HG3 ARG 9 1HG ARG 9 13.058 3.150 0.259 63 HD2 ARG 9 2HD ARG 9 13.822 3.108 -2.665 64 HD3 ARG 9 1HD ARG 9 14.124 4.413 -1.529 65 HE ARG 9 HE ARG 9 15.215 2.030 -0.524 66 HH11 ARG 9 1HH1 ARG 9 15.845 4.465 -3.046 67 HH12 ARG 9 2HH1 ARG 9 17.506 4.143 -3.111 68 HH21 ARG 9 1HH2 ARG 9 17.524 1.592 -0.661 69 HH22 ARG 9 2HH2 ARG 9 18.477 2.506 -1.721 70 H GLY 10 H GLY 10 10.773 -0.881 -3.254 71 HA2 GLY 10 2HA GLY 10 11.298 -3.117 -3.923 72 HA3 GLY 10 1HA GLY 10 12.646 -3.097 -2.786 73 H ASP 11 H ASP 11 10.624 -1.706 -0.921 74 HA ASP 11 HA ASP 11 9.784 -4.133 0.398 75 HB2 ASP 11 2HB ASP 11 10.713 -2.376 1.801 76 HB3 ASP 11 1HB ASP 11 9.595 -1.202 1.133 77 H CYS 12 H CYS 12 8.053 -5.057 -0.444 78 HA CYS 12 HA CYS 12 5.972 -3.368 -1.484 79 HB2 CYS 12 2HB CYS 12 6.090 -6.354 -1.479 80 HB3 CYS 12 1HB CYS 12 4.927 -5.361 -2.319 81 H ARG 13 H ARG 13 4.163 -3.062 -0.790 82 HA ARG 13 HA ARG 13 3.270 -4.415 1.653 83 HB2 ARG 13 2HB ARG 13 4.625 -2.333 2.201 84 HB3 ARG 13 1HB ARG 13 3.339 -1.418 1.446 85 HG2 ARG 13 2HG ARG 13 1.754 -2.135 3.088 86 HG3 ARG 13 1HG ARG 13 2.925 -3.257 3.787 87 HD2 ARG 13 2HD ARG 13 3.097 -0.261 3.732 88 HD3 ARG 13 1HD ARG 13 2.824 -1.281 5.145 89 HE ARG 13 HE ARG 13 5.199 -2.079 3.901 90 HH11 ARG 13 1HH1 ARG 13 3.958 0.546 5.908 91 HH12 ARG 13 2HH1 ARG 13 5.490 1.082 6.403 92 HH21 ARG 13 1HH2 ARG 13 7.275 -1.312 4.489 93 HH22 ARG 13 2HH2 ARG 13 7.441 -0.021 5.600 94 H CYS 14 H CYS 14 1.000 -4.305 1.926 95 HA CYS 14 HA CYS 14 -0.260 -3.294 -0.453 96 HB2 CYS 14 2HB CYS 14 -1.190 -5.603 1.250 97 HB3 CYS 14 1HB CYS 14 -1.994 -5.017 -0.204 98 H ILE 15 H ILE 15 -1.714 -1.851 -0.376 99 HA ILE 15 HA ILE 15 -2.502 -0.808 2.224 100 HB ILE 15 HB ILE 15 -2.445 0.440 -0.545 101 HG12 ILE 15 2HG1 ILE 15 -0.684 0.968 1.862 102 HG13 ILE 15 1HG1 ILE 15 -0.199 0.063 0.434 103 HG21 ILE 15 1HG2 ILE 15 -4.243 1.388 0.776 104 HG22 ILE 15 2HG2 ILE 15 -2.935 2.565 0.613 105 HG23 ILE 15 3HG2 ILE 15 -3.132 1.661 2.114 106 HD11 ILE 15 3HD1 ILE 15 -0.937 2.982 0.518 107 HD12 ILE 15 1HD1 ILE 15 -0.455 2.084 -0.920 108 HD13 ILE 15 2HD1 ILE 15 0.692 2.321 0.395 109 H CYS 16 H CYS 16 -4.510 -1.392 2.783 110 HA CYS 16 HA CYS 16 -6.356 -2.059 0.657 111 HB2 CYS 16 2HB CYS 16 -6.576 -2.608 3.628 112 HB3 CYS 16 1HB CYS 16 -7.733 -3.128 2.406 113 H THR 17 H THR 17 -7.809 -0.724 0.041 114 HA THR 17 HA THR 17 -9.000 1.095 1.925 115 HB THR 17 HB THR 17 -7.694 2.137 -0.626 116 HG1 THR 17 1HG THR 17 -6.752 1.646 1.852 117 HG21 THR 17 3HG2 THR 17 -9.685 3.417 0.164 118 HG22 THR 17 1HG2 THR 17 -8.200 4.357 0.310 119 HG23 THR 17 2HG2 THR 17 -8.904 3.605 1.734 120 H ARG 18 H ARG 18 -11.098 1.747 1.163 121 HA ARG 18 HA ARG 18 -13.047 1.709 0.003 122 HB2 ARG 18 2HB ARG 18 -11.574 0.489 -2.346 123 HB3 ARG 18 1HB ARG 18 -13.113 1.332 -2.329 124 HG2 ARG 18 2HG ARG 18 -12.071 3.437 -2.008 125 HG3 ARG 18 1HG ARG 18 -10.517 2.677 -1.659 126 HD2 ARG 18 2HD ARG 18 -11.966 2.664 -4.304 127 HD3 ARG 18 1HD ARG 18 -10.500 3.568 -3.915 128 HE ARG 18 HE ARG 18 -10.592 0.620 -3.871 129 HH11 ARG 18 1HH1 ARG 18 -8.954 3.610 -4.919 130 HH12 ARG 18 2HH1 ARG 18 -7.703 2.791 -5.709 131 HH21 ARG 18 1HH2 ARG 18 -8.731 -0.512 -4.977 132 HH22 ARG 18 2HH2 ARG 18 -7.598 0.478 -5.743 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -11.206 -1.415 1.022 2 HA2 GLY 1 2HA GLY 1 -11.871 -3.695 1.570 3 HA3 GLY 1 1HA GLY 1 -13.239 -3.480 0.477 4 H ASP 2 H ASP 2 -10.736 -1.855 -0.893 5 HA ASP 2 HA ASP 2 -10.032 -4.083 -2.659 6 HB2 ASP 2 2HB ASP 2 -9.742 -1.096 -3.038 7 HB3 ASP 2 1HB ASP 2 -9.313 -2.330 -4.202 8 H CYS 3 H CYS 3 -7.844 -4.585 -2.774 9 HA CYS 3 HA CYS 3 -6.234 -2.852 -1.135 10 HB2 CYS 3 2HB CYS 3 -5.681 -5.697 -1.926 11 HB3 CYS 3 1HB CYS 3 -4.573 -4.681 -1.025 12 H ARG 4 H ARG 4 -4.508 -1.928 -1.793 13 HA ARG 4 HA ARG 4 -3.867 -2.006 -4.666 14 HB2 ARG 4 2HB ARG 4 -3.210 0.149 -2.636 15 HB3 ARG 4 1HB ARG 4 -3.019 0.245 -4.368 16 HG2 ARG 4 2HG ARG 4 -5.684 0.127 -2.948 17 HG3 ARG 4 1HG ARG 4 -4.885 1.615 -3.416 18 HD2 ARG 4 2HD ARG 4 -6.458 1.243 -5.104 19 HD3 ARG 4 1HD ARG 4 -4.954 0.681 -5.806 20 HE ARG 4 HE ARG 4 -5.989 -1.587 -4.796 21 HH11 ARG 4 1HH1 ARG 4 -7.331 0.894 -6.948 22 HH12 ARG 4 2HH1 ARG 4 -8.495 -0.124 -7.653 23 HH21 ARG 4 1HH2 ARG 4 -7.656 -3.000 -5.754 24 HH22 ARG 4 2HH2 ARG 4 -8.689 -2.353 -6.931 25 H CYS 5 H CYS 5 -2.195 -3.552 -4.630 26 HA CYS 5 HA CYS 5 -0.289 -3.231 -2.501 27 HB2 CYS 5 2HB CYS 5 -0.486 -5.426 -4.527 28 HB3 CYS 5 1HB CYS 5 0.701 -5.351 -3.248 29 H LEU 6 H LEU 6 1.447 -2.425 -2.693 30 HA LEU 6 HA LEU 6 2.566 -1.806 -5.369 31 HB2 LEU 6 2HB LEU 6 2.269 0.168 -3.105 32 HB3 LEU 6 1HB LEU 6 3.141 0.470 -4.593 33 HG LEU 6 HG LEU 6 0.159 -0.009 -4.389 34 HD11 LEU 6 1HD1 LEU 6 1.708 2.535 -4.855 35 HD12 LEU 6 2HD1 LEU 6 0.835 2.102 -3.382 36 HD13 LEU 6 3HD1 LEU 6 -0.047 2.363 -4.884 37 HD21 LEU 6 3HD2 LEU 6 1.885 0.820 -6.731 38 HD22 LEU 6 1HD2 LEU 6 0.123 0.758 -6.727 39 HD23 LEU 6 2HD2 LEU 6 1.058 -0.724 -6.539 40 H CYS 7 H CYS 7 4.833 -1.545 -5.392 41 HA CYS 7 HA CYS 7 6.045 -2.291 -2.880 42 HB2 CYS 7 2HB CYS 7 7.056 -2.917 -5.672 43 HB3 CYS 7 1HB CYS 7 7.939 -3.280 -4.192 44 H ARG 8 H ARG 8 7.349 -0.902 -1.988 45 HA ARG 8 HA ARG 8 8.243 1.375 -3.625 46 HB2 ARG 8 2HB ARG 8 7.213 1.419 -0.787 47 HB3 ARG 8 1HB ARG 8 7.922 2.786 -1.620 48 HG2 ARG 8 2HG ARG 8 5.403 1.396 -2.532 49 HG3 ARG 8 1HG ARG 8 5.416 2.781 -1.452 50 HD2 ARG 8 2HD ARG 8 4.978 3.555 -3.693 51 HD3 ARG 8 1HD ARG 8 6.585 4.085 -3.226 52 HE ARG 8 HE ARG 8 6.662 1.611 -4.645 53 HH11 ARG 8 1HH1 ARG 8 6.345 5.108 -5.154 54 HH12 ARG 8 2HH1 ARG 8 6.908 5.019 -6.766 55 HH21 ARG 8 1HH2 ARG 8 7.447 1.542 -6.818 56 HH22 ARG 8 2HH2 ARG 8 7.566 2.975 -7.721 57 H ARG 9 H ARG 9 10.389 1.113 -3.797 58 HA ARG 9 HA ARG 9 12.595 1.164 -3.216 59 HB2 ARG 9 2HB ARG 9 11.427 1.764 -0.555 60 HB3 ARG 9 1HB ARG 9 13.156 1.845 -0.865 61 HG2 ARG 9 2HG ARG 9 12.839 3.613 -2.459 62 HG3 ARG 9 1HG ARG 9 11.085 3.471 -2.325 63 HD2 ARG 9 2HD ARG 9 11.962 5.386 -1.078 64 HD3 ARG 9 1HD ARG 9 11.183 4.216 -0.025 65 HE ARG 9 HE ARG 9 13.400 3.463 0.620 66 HH11 ARG 9 1HH1 ARG 9 13.327 6.583 -1.072 67 HH12 ARG 9 2HH1 ARG 9 14.588 7.258 -0.177 68 HH21 ARG 9 1HH2 ARG 9 15.143 4.431 1.887 69 HH22 ARG 9 2HH2 ARG 9 15.659 6.016 1.531 70 H GLY 10 H GLY 10 11.076 -1.287 -3.024 71 HA2 GLY 10 2HA GLY 10 12.021 -3.471 -2.839 72 HA3 GLY 10 1HA GLY 10 13.139 -2.845 -1.635 73 H ASP 11 H ASP 11 10.190 -1.641 -0.917 74 HA ASP 11 HA ASP 11 9.600 -3.832 0.945 75 HB2 ASP 11 2HB ASP 11 10.213 -1.765 2.103 76 HB3 ASP 11 1HB ASP 11 9.046 -0.858 1.152 77 H CYS 12 H CYS 12 8.016 -5.043 -0.018 78 HA CYS 12 HA CYS 12 6.005 -3.636 -1.488 79 HB2 CYS 12 2HB CYS 12 6.189 -6.574 -0.948 80 HB3 CYS 12 1HB CYS 12 4.998 -5.808 -1.969 81 H ARG 13 H ARG 13 4.143 -3.283 -1.062 82 HA ARG 13 HA ARG 13 3.281 -3.594 1.745 83 HB2 ARG 13 2HB ARG 13 4.606 -1.570 1.373 84 HB3 ARG 13 1HB ARG 13 3.474 -1.078 0.137 85 HG2 ARG 13 2HG ARG 13 1.718 -0.888 1.835 86 HG3 ARG 13 1HG ARG 13 2.893 -1.379 3.071 87 HD2 ARG 13 2HD ARG 13 3.006 1.060 1.313 88 HD3 ARG 13 1HD ARG 13 2.826 1.013 3.070 89 HE ARG 13 HE ARG 13 5.127 -0.326 2.668 90 HH11 ARG 13 1HH1 ARG 13 4.096 2.922 1.705 91 HH12 ARG 13 2HH1 ARG 13 5.682 3.494 1.495 92 HH21 ARG 13 1HH2 ARG 13 7.205 0.399 2.356 93 HH22 ARG 13 2HH2 ARG 13 7.532 2.025 1.897 94 H CYS 14 H CYS 14 1.116 -3.977 1.839 95 HA CYS 14 HA CYS 14 -0.327 -3.274 -0.543 96 HB2 CYS 14 2HB CYS 14 -0.988 -5.413 1.495 97 HB3 CYS 14 1HB CYS 14 -2.124 -4.897 0.254 98 H ILE 15 H ILE 15 -1.570 -1.600 -0.398 99 HA ILE 15 HA ILE 15 -2.413 -0.646 2.244 100 HB ILE 15 HB ILE 15 -2.328 0.790 -0.434 101 HG12 ILE 15 2HG1 ILE 15 -0.523 1.121 1.982 102 HG13 ILE 15 1HG1 ILE 15 -0.081 0.279 0.502 103 HG21 ILE 15 1HG2 ILE 15 -2.749 2.826 0.911 104 HG22 ILE 15 2HG2 ILE 15 -2.976 1.801 2.334 105 HG23 ILE 15 3HG2 ILE 15 -4.085 1.676 0.974 106 HD11 ILE 15 3HD1 ILE 15 0.869 2.513 0.583 107 HD12 ILE 15 1HD1 ILE 15 -0.744 3.209 0.742 108 HD13 ILE 15 2HD1 ILE 15 -0.279 2.370 -0.742 109 H CYS 16 H CYS 16 -4.489 -1.157 2.742 110 HA CYS 16 HA CYS 16 -6.214 -1.694 0.464 111 HB2 CYS 16 2HB CYS 16 -6.460 -2.756 3.282 112 HB3 CYS 16 1HB CYS 16 -7.523 -3.161 1.935 113 H THR 17 H THR 17 -8.036 -0.660 0.155 114 HA THR 17 HA THR 17 -9.140 1.021 2.242 115 HB THR 17 HB THR 17 -8.402 2.186 -0.451 116 HG1 THR 17 1HG THR 17 -6.929 1.846 1.847 117 HG21 THR 17 3HG2 THR 17 -10.289 3.272 0.728 118 HG22 THR 17 1HG2 THR 17 -8.888 4.343 0.631 119 HG23 THR 17 2HG2 THR 17 -9.254 3.504 2.135 120 H ARG 18 H ARG 18 -11.318 1.211 1.972 121 HA ARG 18 HA ARG 18 -13.447 0.992 1.249 122 HB2 ARG 18 2HB ARG 18 -12.484 0.380 -1.543 123 HB3 ARG 18 1HB ARG 18 -14.047 0.969 -1.012 124 HG2 ARG 18 2HG ARG 18 -13.094 3.136 -0.479 125 HG3 ARG 18 1HG ARG 18 -11.487 2.548 -0.920 126 HD2 ARG 18 2HD ARG 18 -13.872 2.941 -2.721 127 HD3 ARG 18 1HD ARG 18 -12.325 3.780 -2.787 128 HE ARG 18 HE ARG 18 -12.279 0.885 -3.192 129 HH11 ARG 18 1HH1 ARG 18 -12.057 4.072 -4.721 130 HH12 ARG 18 2HH1 ARG 18 -11.557 3.458 -6.219 131 HH21 ARG 18 1HH2 ARG 18 -11.652 0.081 -5.145 132 HH22 ARG 18 2HH2 ARG 18 -11.318 1.087 -6.509 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -11.011 -0.953 1.262 2 HA2 GLY 1 2HA GLY 1 -11.730 -3.106 2.030 3 HA3 GLY 1 1HA GLY 1 -13.047 -3.037 0.870 4 H ASP 2 H ASP 2 -10.693 -1.886 -0.924 5 HA ASP 2 HA ASP 2 -10.032 -4.556 -1.907 6 HB2 ASP 2 2HB ASP 2 -11.236 -3.210 -3.539 7 HB3 ASP 2 1HB ASP 2 -10.072 -1.900 -3.352 8 H CYS 3 H CYS 3 -7.934 -5.130 -2.112 9 HA CYS 3 HA CYS 3 -6.128 -3.160 -1.013 10 HB2 CYS 3 2HB CYS 3 -5.769 -6.127 -1.009 11 HB3 CYS 3 1HB CYS 3 -4.698 -4.962 -0.268 12 H ARG 4 H ARG 4 -4.543 -2.474 -1.967 13 HA ARG 4 HA ARG 4 -3.726 -3.667 -4.527 14 HB2 ARG 4 2HB ARG 4 -4.883 -1.564 -4.938 15 HB3 ARG 4 1HB ARG 4 -3.890 -0.745 -3.747 16 HG2 ARG 4 2HG ARG 4 -3.212 -0.198 -6.020 17 HG3 ARG 4 1HG ARG 4 -1.927 -1.026 -5.148 18 HD2 ARG 4 2HD ARG 4 -2.136 -1.854 -7.455 19 HD3 ARG 4 1HD ARG 4 -2.475 -3.116 -6.277 20 HE ARG 4 HE ARG 4 -4.699 -1.617 -7.398 21 HH11 ARG 4 1HH1 ARG 4 -2.885 -4.676 -7.308 22 HH12 ARG 4 2HH1 ARG 4 -4.096 -5.571 -8.085 23 HH21 ARG 4 1HH2 ARG 4 -6.389 -2.902 -8.406 24 HH22 ARG 4 2HH2 ARG 4 -6.140 -4.553 -8.694 25 H CYS 5 H CYS 5 -1.602 -4.204 -4.584 26 HA CYS 5 HA CYS 5 -0.091 -3.291 -2.317 27 HB2 CYS 5 2HB CYS 5 0.664 -5.470 -4.212 28 HB3 CYS 5 1HB CYS 5 1.387 -5.128 -2.645 29 H LEU 6 H LEU 6 1.286 -2.043 -2.298 30 HA LEU 6 HA LEU 6 2.335 -0.953 -4.842 31 HB2 LEU 6 2HB LEU 6 1.773 0.537 -2.267 32 HB3 LEU 6 1HB LEU 6 2.501 1.235 -3.697 33 HG LEU 6 HG LEU 6 -0.322 0.157 -3.524 34 HD11 LEU 6 1HD1 LEU 6 -0.990 2.496 -3.725 35 HD12 LEU 6 2HD1 LEU 6 0.704 2.982 -3.642 36 HD13 LEU 6 3HD1 LEU 6 -0.064 2.208 -2.257 37 HD21 LEU 6 3HD2 LEU 6 -0.604 1.189 -5.729 38 HD22 LEU 6 1HD2 LEU 6 0.607 -0.092 -5.748 39 HD23 LEU 6 2HD2 LEU 6 1.109 1.599 -5.752 40 H CYS 7 H CYS 7 4.531 -0.593 -4.937 41 HA CYS 7 HA CYS 7 5.893 -1.676 -2.637 42 HB2 CYS 7 2HB CYS 7 6.951 -1.550 -5.464 43 HB3 CYS 7 1HB CYS 7 7.746 -2.312 -4.087 44 H ARG 8 H ARG 8 7.476 -0.796 -1.611 45 HA ARG 8 HA ARG 8 8.167 1.977 -2.235 46 HB2 ARG 8 2HB ARG 8 7.592 0.653 0.424 47 HB3 ARG 8 1HB ARG 8 8.208 2.281 0.239 48 HG2 ARG 8 2HG ARG 8 6.173 3.003 -0.792 49 HG3 ARG 8 1HG ARG 8 5.566 1.348 -0.864 50 HD2 ARG 8 2HD ARG 8 4.585 2.668 0.984 51 HD3 ARG 8 1HD ARG 8 5.448 1.235 1.536 52 HE ARG 8 HE ARG 8 7.322 2.728 2.056 53 HH11 ARG 8 1HH1 ARG 8 4.045 4.127 1.898 54 HH12 ARG 8 2HH1 ARG 8 4.399 5.403 2.961 55 HH21 ARG 8 1HH2 ARG 8 7.777 4.497 3.518 56 HH22 ARG 8 2HH2 ARG 8 6.548 5.623 3.885 57 H ARG 9 H ARG 9 10.275 1.645 -2.951 58 HA ARG 9 HA ARG 9 12.539 1.310 -2.858 59 HB2 ARG 9 2HB ARG 9 12.246 0.307 -0.035 60 HB3 ARG 9 1HB ARG 9 13.683 0.964 -0.782 61 HG2 ARG 9 2HG ARG 9 12.771 3.185 -0.725 62 HG3 ARG 9 1HG ARG 9 11.211 2.566 -0.168 63 HD2 ARG 9 2HD ARG 9 13.837 2.497 1.310 64 HD3 ARG 9 1HD ARG 9 12.395 3.413 1.742 65 HE ARG 9 HE ARG 9 11.968 0.553 1.599 66 HH11 ARG 9 1HH1 ARG 9 12.893 3.171 3.785 67 HH12 ARG 9 2HH1 ARG 9 12.549 2.265 5.183 68 HH21 ARG 9 1HH2 ARG 9 11.572 -0.638 3.429 69 HH22 ARG 9 2HH2 ARG 9 11.763 0.036 5.003 70 H GLY 10 H GLY 10 10.475 -0.877 -3.249 71 HA2 GLY 10 2HA GLY 10 10.888 -3.041 -4.103 72 HA3 GLY 10 1HA GLY 10 12.334 -3.136 -3.106 73 H ASP 11 H ASP 11 10.389 -1.893 -0.924 74 HA ASP 11 HA ASP 11 9.602 -4.449 0.189 75 HB2 ASP 11 2HB ASP 11 9.215 -1.616 1.218 76 HB3 ASP 11 1HB ASP 11 8.836 -3.079 2.103 77 H CYS 12 H CYS 12 7.685 -5.224 -0.533 78 HA CYS 12 HA CYS 12 5.856 -3.218 -1.485 79 HB2 CYS 12 2HB CYS 12 5.602 -6.163 -1.819 80 HB3 CYS 12 1HB CYS 12 4.616 -4.941 -2.590 81 H ARG 13 H ARG 13 4.118 -2.721 -0.766 82 HA ARG 13 HA ARG 13 3.219 -3.974 1.730 83 HB2 ARG 13 2HB ARG 13 3.334 -0.997 1.175 84 HB3 ARG 13 1HB ARG 13 2.661 -1.740 2.622 85 HG2 ARG 13 2HG ARG 13 5.550 -1.809 1.744 86 HG3 ARG 13 1HG ARG 13 4.872 -0.892 3.093 87 HD2 ARG 13 2HD ARG 13 4.263 -2.928 4.226 88 HD3 ARG 13 1HD ARG 13 4.791 -3.899 2.857 89 HE ARG 13 HE ARG 13 6.558 -2.300 4.554 90 HH11 ARG 13 1HH1 ARG 13 6.055 -5.087 2.388 91 HH12 ARG 13 2HH1 ARG 13 7.423 -5.925 2.914 92 HH21 ARG 13 1HH2 ARG 13 8.471 -3.484 5.270 93 HH22 ARG 13 2HH2 ARG 13 8.846 -4.989 4.555 94 H CYS 14 H CYS 14 1.135 -4.377 1.855 95 HA CYS 14 HA CYS 14 -0.335 -3.570 -0.453 96 HB2 CYS 14 2HB CYS 14 -0.977 -5.719 1.570 97 HB3 CYS 14 1HB CYS 14 -1.991 -5.334 0.183 98 H ILE 15 H ILE 15 -1.497 -1.914 -0.421 99 HA ILE 15 HA ILE 15 -2.445 -0.884 2.123 100 HB ILE 15 HB ILE 15 -1.891 0.451 -0.542 101 HG12 ILE 15 2HG1 ILE 15 -0.580 0.701 2.176 102 HG13 ILE 15 1HG1 ILE 15 0.100 -0.076 0.761 103 HG21 ILE 15 1HG2 ILE 15 -3.854 1.497 0.417 104 HG22 ILE 15 2HG2 ILE 15 -2.471 2.590 0.577 105 HG23 ILE 15 3HG2 ILE 15 -3.035 1.660 1.967 106 HD11 ILE 15 3HD1 ILE 15 1.069 2.117 1.191 107 HD12 ILE 15 1HD1 ILE 15 -0.521 2.855 1.021 108 HD13 ILE 15 2HD1 ILE 15 0.246 2.067 -0.363 109 H CYS 16 H CYS 16 -4.523 -0.905 2.493 110 HA CYS 16 HA CYS 16 -6.205 -1.752 0.293 111 HB2 CYS 16 2HB CYS 16 -6.743 -2.008 3.254 112 HB3 CYS 16 1HB CYS 16 -7.714 -2.688 1.946 113 H THR 17 H THR 17 -7.857 -0.640 -0.369 114 HA THR 17 HA THR 17 -8.632 1.728 1.148 115 HB THR 17 HB THR 17 -8.283 1.776 -1.819 116 HG1 THR 17 1HG THR 17 -6.232 1.382 -0.794 117 HG21 THR 17 3HG2 THR 17 -8.200 4.225 -1.479 118 HG22 THR 17 1HG2 THR 17 -8.369 3.975 0.259 119 HG23 THR 17 2HG2 THR 17 -9.682 3.522 -0.825 120 H ARG 18 H ARG 18 -10.746 1.743 1.282 121 HA ARG 18 HA ARG 18 -12.966 1.353 1.042 122 HB2 ARG 18 2HB ARG 18 -12.256 1.025 -1.856 123 HB3 ARG 18 1HB ARG 18 -13.888 1.203 -1.216 124 HG2 ARG 18 2HG ARG 18 -11.710 3.277 -0.966 125 HG3 ARG 18 1HG ARG 18 -12.994 3.305 -2.172 126 HD2 ARG 18 2HD ARG 18 -14.664 3.476 -0.428 127 HD3 ARG 18 1HD ARG 18 -13.424 3.318 0.813 128 HE ARG 18 HE ARG 18 -12.510 5.429 -0.364 129 HH11 ARG 18 1HH1 ARG 18 -15.937 4.730 0.194 130 HH12 ARG 18 2HH1 ARG 18 -16.376 6.348 0.439 131 HH21 ARG 18 1HH2 ARG 18 -13.081 7.623 -0.059 132 HH22 ARG 18 2HH2 ARG 18 -14.696 8.068 0.273 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -11.342 -0.813 1.038 2 HA2 GLY 1 2HA GLY 1 -11.975 -2.955 1.762 3 HA3 GLY 1 1HA GLY 1 -13.402 -2.852 0.733 4 H ASP 2 H ASP 2 -10.676 -1.901 -0.941 5 HA ASP 2 HA ASP 2 -10.321 -4.579 -2.084 6 HB2 ASP 2 2HB ASP 2 -11.499 -3.008 -3.590 7 HB3 ASP 2 1HB ASP 2 -10.157 -1.879 -3.437 8 H CYS 3 H CYS 3 -8.217 -5.300 -2.096 9 HA CYS 3 HA CYS 3 -6.410 -3.455 -0.847 10 HB2 CYS 3 2HB CYS 3 -6.183 -6.437 -1.097 11 HB3 CYS 3 1HB CYS 3 -5.043 -5.399 -0.249 12 H ARG 4 H ARG 4 -4.506 -2.903 -1.492 13 HA ARG 4 HA ARG 4 -3.826 -3.345 -4.330 14 HB2 ARG 4 2HB ARG 4 -3.862 -0.732 -2.815 15 HB3 ARG 4 1HB ARG 4 -3.365 -0.950 -4.477 16 HG2 ARG 4 2HG ARG 4 -5.612 -1.422 -5.162 17 HG3 ARG 4 1HG ARG 4 -6.154 -1.483 -3.480 18 HD2 ARG 4 2HD ARG 4 -6.713 0.651 -4.576 19 HD3 ARG 4 1HD ARG 4 -5.647 0.854 -3.189 20 HE ARG 4 HE ARG 4 -4.590 0.762 -5.918 21 HH11 ARG 4 1HH1 ARG 4 -4.981 2.488 -2.851 22 HH12 ARG 4 2HH1 ARG 4 -3.860 3.713 -3.221 23 HH21 ARG 4 1HH2 ARG 4 -3.065 2.463 -6.455 24 HH22 ARG 4 2HH2 ARG 4 -2.773 3.725 -5.380 25 H CYS 5 H CYS 5 -1.570 -3.556 -4.554 26 HA CYS 5 HA CYS 5 -0.139 -3.064 -2.096 27 HB2 CYS 5 2HB CYS 5 0.660 -4.907 -4.317 28 HB3 CYS 5 1HB CYS 5 1.554 -4.652 -2.831 29 H LEU 6 H LEU 6 1.365 -1.757 -1.980 30 HA LEU 6 HA LEU 6 2.258 -0.338 -4.417 31 HB2 LEU 6 2HB LEU 6 1.812 0.657 -1.598 32 HB3 LEU 6 1HB LEU 6 2.851 1.519 -2.704 33 HG LEU 6 HG LEU 6 0.929 1.970 -4.179 34 HD11 LEU 6 1HD1 LEU 6 -0.439 0.004 -3.741 35 HD12 LEU 6 2HD1 LEU 6 -1.354 1.490 -3.474 36 HD13 LEU 6 3HD1 LEU 6 -0.740 0.572 -2.099 37 HD21 LEU 6 3HD2 LEU 6 -0.256 3.509 -2.712 38 HD22 LEU 6 1HD2 LEU 6 1.482 3.558 -2.433 39 HD23 LEU 6 2HD2 LEU 6 0.429 2.704 -1.305 40 H CYS 7 H CYS 7 4.512 -0.051 -4.647 41 HA CYS 7 HA CYS 7 5.937 -1.525 -2.615 42 HB2 CYS 7 2HB CYS 7 6.579 -1.424 -5.567 43 HB3 CYS 7 1HB CYS 7 7.578 -2.226 -4.357 44 H ARG 8 H ARG 8 7.677 -0.667 -1.678 45 HA ARG 8 HA ARG 8 8.670 1.897 -2.685 46 HB2 ARG 8 2HB ARG 8 8.117 1.176 0.209 47 HB3 ARG 8 1HB ARG 8 8.840 2.675 -0.347 48 HG2 ARG 8 2HG ARG 8 6.024 1.734 -0.878 49 HG3 ARG 8 1HG ARG 8 6.514 3.005 0.244 50 HD2 ARG 8 2HD ARG 8 7.360 4.330 -1.599 51 HD3 ARG 8 1HD ARG 8 6.973 3.043 -2.732 52 HE ARG 8 HE ARG 8 4.972 4.518 -1.179 53 HH11 ARG 8 1HH1 ARG 8 5.957 2.816 -4.152 54 HH12 ARG 8 2HH1 ARG 8 4.631 3.334 -5.060 55 HH21 ARG 8 1HH2 ARG 8 3.093 5.198 -2.479 56 HH22 ARG 8 2HH2 ARG 8 2.946 4.697 -4.095 57 H ARG 9 H ARG 9 10.723 1.586 -3.202 58 HA ARG 9 HA ARG 9 12.926 1.062 -3.118 59 HB2 ARG 9 2HB ARG 9 12.334 0.415 -0.245 60 HB3 ARG 9 1HB ARG 9 13.951 0.526 -0.916 61 HG2 ARG 9 2HG ARG 9 13.639 2.889 -1.370 62 HG3 ARG 9 1HG ARG 9 11.968 2.796 -0.809 63 HD2 ARG 9 2HD ARG 9 13.405 3.714 0.928 64 HD3 ARG 9 1HD ARG 9 12.737 2.161 1.408 65 HE ARG 9 HE ARG 9 15.351 2.076 0.182 66 HH11 ARG 9 1HH1 ARG 9 13.536 2.217 3.227 67 HH12 ARG 9 2HH1 ARG 9 14.821 1.612 4.167 68 HH21 ARG 9 1HH2 ARG 9 17.112 1.230 1.520 69 HH22 ARG 9 2HH2 ARG 9 16.833 1.036 3.196 70 H GLY 10 H GLY 10 10.775 -0.995 -3.526 71 HA2 GLY 10 2HA GLY 10 11.116 -3.124 -4.492 72 HA3 GLY 10 1HA GLY 10 12.592 -3.285 -3.552 73 H ASP 11 H ASP 11 10.637 -2.156 -1.313 74 HA ASP 11 HA ASP 11 9.751 -4.818 -0.489 75 HB2 ASP 11 2HB ASP 11 11.109 -3.605 1.176 76 HB3 ASP 11 1HB ASP 11 10.001 -2.240 1.096 77 H CYS 12 H CYS 12 7.613 -5.256 -0.488 78 HA CYS 12 HA CYS 12 6.018 -2.998 -1.337 79 HB2 CYS 12 2HB CYS 12 5.399 -5.895 -1.742 80 HB3 CYS 12 1HB CYS 12 4.479 -4.539 -2.367 81 H ARG 13 H ARG 13 4.254 -2.450 -0.508 82 HA ARG 13 HA ARG 13 3.436 -3.795 1.979 83 HB2 ARG 13 2HB ARG 13 4.609 -1.576 2.359 84 HB3 ARG 13 1HB ARG 13 3.279 -0.806 1.500 85 HG2 ARG 13 2HG ARG 13 2.871 -0.594 3.844 86 HG3 ARG 13 1HG ARG 13 1.720 -1.767 3.198 87 HD2 ARG 13 2HD ARG 13 2.547 -2.678 5.229 88 HD3 ARG 13 1HD ARG 13 3.332 -3.585 3.946 89 HE ARG 13 HE ARG 13 4.512 -1.547 5.658 90 HH11 ARG 13 1HH1 ARG 13 5.140 -4.040 3.146 91 HH12 ARG 13 2HH1 ARG 13 6.807 -4.068 3.490 92 HH21 ARG 13 1HH2 ARG 13 6.791 -1.757 6.116 93 HH22 ARG 13 2HH2 ARG 13 7.740 -2.845 5.235 94 H CYS 14 H CYS 14 1.284 -4.295 2.052 95 HA CYS 14 HA CYS 14 -0.223 -3.273 -0.175 96 HB2 CYS 14 2HB CYS 14 -0.733 -5.766 1.454 97 HB3 CYS 14 1HB CYS 14 -1.663 -5.246 0.052 98 H ILE 15 H ILE 15 -1.724 -1.889 0.157 99 HA ILE 15 HA ILE 15 -2.796 -1.576 2.843 100 HB ILE 15 HB ILE 15 -3.428 0.649 2.088 101 HG12 ILE 15 2HG1 ILE 15 -1.773 0.075 -0.373 102 HG13 ILE 15 1HG1 ILE 15 -3.526 0.220 -0.334 103 HG21 ILE 15 1HG2 ILE 15 -1.152 1.664 2.139 104 HG22 ILE 15 2HG2 ILE 15 -0.471 0.059 1.871 105 HG23 ILE 15 3HG2 ILE 15 -1.372 0.399 3.349 106 HD11 ILE 15 3HD1 ILE 15 -1.554 2.412 0.285 107 HD12 ILE 15 1HD1 ILE 15 -3.312 2.565 0.334 108 HD13 ILE 15 2HD1 ILE 15 -2.495 2.241 -1.195 109 H CYS 16 H CYS 16 -5.128 -0.774 2.704 110 HA CYS 16 HA CYS 16 -6.401 -1.923 0.374 111 HB2 CYS 16 2HB CYS 16 -7.361 -2.388 3.210 112 HB3 CYS 16 1HB CYS 16 -8.147 -2.977 1.747 113 H THR 17 H THR 17 -7.814 -0.730 -0.569 114 HA THR 17 HA THR 17 -8.711 1.696 0.815 115 HB THR 17 HB THR 17 -8.208 1.408 -2.110 116 HG1 THR 17 1HG THR 17 -6.381 1.990 -0.002 117 HG21 THR 17 3HG2 THR 17 -9.513 3.335 -1.397 118 HG22 THR 17 1HG2 THR 17 -7.947 3.872 -2.010 119 HG23 THR 17 2HG2 THR 17 -8.237 3.805 -0.273 120 H ARG 18 H ARG 18 -10.859 1.815 0.804 121 HA ARG 18 HA ARG 18 -13.075 1.472 0.456 122 HB2 ARG 18 2HB ARG 18 -12.157 0.985 -2.348 123 HB3 ARG 18 1HB ARG 18 -13.835 1.227 -1.868 124 HG2 ARG 18 2HG ARG 18 -11.620 3.249 -1.557 125 HG3 ARG 18 1HG ARG 18 -12.853 3.274 -2.818 126 HD2 ARG 18 2HD ARG 18 -14.589 3.537 -1.152 127 HD3 ARG 18 1HD ARG 18 -13.400 3.410 0.144 128 HE ARG 18 HE ARG 18 -12.847 5.497 -1.709 129 HH11 ARG 18 1HH1 ARG 18 -14.638 4.643 1.234 130 HH12 ARG 18 2HH1 ARG 18 -14.735 6.237 1.811 131 HH21 ARG 18 1HH2 ARG 18 -12.983 7.717 -0.886 132 HH22 ARG 18 2HH2 ARG 18 -13.837 7.997 0.566 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -10.387 0.613 0.463 2 HA2 GLY 1 2HA GLY 1 -11.927 -0.671 1.793 3 HA3 GLY 1 1HA GLY 1 -13.066 -0.602 0.457 4 H ASP 2 H ASP 2 -10.346 -1.186 -1.122 5 HA ASP 2 HA ASP 2 -10.656 -4.098 -0.857 6 HB2 ASP 2 2HB ASP 2 -11.708 -3.193 -2.918 7 HB3 ASP 2 1HB ASP 2 -10.159 -2.503 -3.378 8 H CYS 3 H CYS 3 -8.731 -5.288 -0.933 9 HA CYS 3 HA CYS 3 -6.493 -3.559 -0.426 10 HB2 CYS 3 2HB CYS 3 -6.728 -6.456 0.264 11 HB3 CYS 3 1HB CYS 3 -5.462 -5.353 0.789 12 H ARG 4 H ARG 4 -4.589 -3.570 -1.354 13 HA ARG 4 HA ARG 4 -4.143 -5.288 -3.695 14 HB2 ARG 4 2HB ARG 4 -3.932 -2.273 -3.742 15 HB3 ARG 4 1HB ARG 4 -3.607 -3.383 -5.062 16 HG2 ARG 4 2HG ARG 4 -5.994 -3.992 -5.093 17 HG3 ARG 4 1HG ARG 4 -6.287 -2.783 -3.839 18 HD2 ARG 4 2HD ARG 4 -5.177 -2.296 -6.589 19 HD3 ARG 4 1HD ARG 4 -6.791 -1.861 -6.020 20 HE ARG 4 HE ARG 4 -5.140 -0.592 -4.300 21 HH11 ARG 4 1HH1 ARG 4 -5.376 -0.658 -7.843 22 HH12 ARG 4 2HH1 ARG 4 -4.777 0.921 -8.047 23 HH21 ARG 4 1HH2 ARG 4 -4.273 1.612 -4.601 24 HH22 ARG 4 2HH2 ARG 4 -4.150 2.234 -6.163 25 H CYS 5 H CYS 5 -1.833 -4.726 -4.520 26 HA CYS 5 HA CYS 5 -0.348 -4.209 -2.119 27 HB2 CYS 5 2HB CYS 5 0.565 -6.000 -4.337 28 HB3 CYS 5 1HB CYS 5 1.332 -5.745 -2.775 29 H LEU 6 H LEU 6 1.199 -2.867 -2.015 30 HA LEU 6 HA LEU 6 1.713 -1.194 -4.386 31 HB2 LEU 6 2HB LEU 6 1.460 -0.357 -1.496 32 HB3 LEU 6 1HB LEU 6 1.792 0.703 -2.847 33 HG LEU 6 HG LEU 6 -0.791 -0.790 -2.377 34 HD11 LEU 6 1HD1 LEU 6 -0.433 1.007 -0.775 35 HD12 LEU 6 2HD1 LEU 6 -1.721 1.413 -1.906 36 HD13 LEU 6 3HD1 LEU 6 -0.117 2.130 -2.093 37 HD21 LEU 6 3HD2 LEU 6 -0.050 1.248 -4.474 38 HD22 LEU 6 1HD2 LEU 6 -1.656 0.562 -4.229 39 HD23 LEU 6 2HD2 LEU 6 -0.324 -0.465 -4.758 40 H CYS 7 H CYS 7 3.852 -0.083 -4.177 41 HA CYS 7 HA CYS 7 5.535 -1.654 -2.443 42 HB2 CYS 7 2HB CYS 7 6.359 -0.469 -5.101 43 HB3 CYS 7 1HB CYS 7 7.357 -1.476 -4.057 44 H ARG 8 H ARG 8 6.900 -0.737 -1.150 45 HA ARG 8 HA ARG 8 6.836 2.179 -1.003 46 HB2 ARG 8 2HB ARG 8 5.696 0.818 0.794 47 HB3 ARG 8 1HB ARG 8 7.271 0.170 1.199 48 HG2 ARG 8 2HG ARG 8 8.057 2.385 1.806 49 HG3 ARG 8 1HG ARG 8 6.509 3.080 1.327 50 HD2 ARG 8 2HD ARG 8 6.989 1.114 3.568 51 HD3 ARG 8 1HD ARG 8 6.533 2.806 3.724 52 HE ARG 8 HE ARG 8 4.675 1.248 2.182 53 HH11 ARG 8 1HH1 ARG 8 5.501 2.261 5.468 54 HH12 ARG 8 2HH1 ARG 8 3.949 1.971 6.093 55 HH21 ARG 8 1HH2 ARG 8 2.587 0.819 3.020 56 HH22 ARG 8 2HH2 ARG 8 2.224 1.105 4.670 57 H ARG 9 H ARG 9 8.672 2.650 -2.081 58 HA ARG 9 HA ARG 9 10.866 3.044 -2.475 59 HB2 ARG 9 2HB ARG 9 11.267 1.906 0.278 60 HB3 ARG 9 1HB ARG 9 12.489 2.757 -0.653 61 HG2 ARG 9 2HG ARG 9 11.084 4.774 -0.605 62 HG3 ARG 9 1HG ARG 9 9.919 3.910 0.403 63 HD2 ARG 9 2HD ARG 9 11.690 3.518 2.067 64 HD3 ARG 9 1HD ARG 9 12.805 4.440 1.070 65 HE ARG 9 HE ARG 9 10.673 6.096 1.504 66 HH11 ARG 9 1HH1 ARG 9 13.046 4.437 3.548 67 HH12 ARG 9 2HH1 ARG 9 13.006 5.619 4.762 68 HH21 ARG 9 1HH2 ARG 9 10.605 7.676 3.189 69 HH22 ARG 9 2HH2 ARG 9 11.579 7.507 4.570 70 H GLY 10 H GLY 10 9.685 0.278 -2.875 71 HA2 GLY 10 2HA GLY 10 10.953 -1.230 -4.384 72 HA3 GLY 10 1HA GLY 10 12.252 -1.158 -3.205 73 H ASP 11 H ASP 11 10.215 -1.295 -0.994 74 HA ASP 11 HA ASP 11 9.978 -4.192 -0.921 75 HB2 ASP 11 2HB ASP 11 10.740 -3.135 1.121 76 HB3 ASP 11 1HB ASP 11 9.384 -2.019 1.093 77 H CYS 12 H CYS 12 8.249 -5.093 -1.815 78 HA CYS 12 HA CYS 12 5.865 -3.470 -1.979 79 HB2 CYS 12 2HB CYS 12 6.291 -6.150 -3.188 80 HB3 CYS 12 1HB CYS 12 4.972 -5.057 -3.524 81 H ARG 13 H ARG 13 4.190 -3.685 -1.031 82 HA ARG 13 HA ARG 13 3.759 -5.911 0.796 83 HB2 ARG 13 2HB ARG 13 5.351 -4.264 1.846 84 HB3 ARG 13 1HB ARG 13 4.047 -3.089 1.815 85 HG2 ARG 13 2HG ARG 13 2.826 -4.238 3.422 86 HG3 ARG 13 1HG ARG 13 3.743 -5.730 3.172 87 HD2 ARG 13 2HD ARG 13 4.793 -3.169 4.362 88 HD3 ARG 13 1HD ARG 13 4.449 -4.661 5.239 89 HE ARG 13 HE ARG 13 6.629 -4.232 3.300 90 HH11 ARG 13 1HH1 ARG 13 5.164 -6.295 5.795 91 HH12 ARG 13 2HH1 ARG 13 6.525 -7.297 5.959 92 HH21 ARG 13 1HH2 ARG 13 8.435 -5.599 3.471 93 HH22 ARG 13 2HH2 ARG 13 8.471 -6.879 4.606 94 H CYS 14 H CYS 14 1.583 -5.950 1.590 95 HA CYS 14 HA CYS 14 -0.042 -4.513 -0.271 96 HB2 CYS 14 2HB CYS 14 -0.868 -6.863 1.415 97 HB3 CYS 14 1HB CYS 14 -1.740 -6.196 0.029 98 H ILE 15 H ILE 15 -1.578 -3.155 0.038 99 HA ILE 15 HA ILE 15 -2.177 -2.213 2.749 100 HB ILE 15 HB ILE 15 -1.300 -0.538 0.364 101 HG12 ILE 15 2HG1 ILE 15 0.618 -1.536 1.486 102 HG13 ILE 15 1HG1 ILE 15 0.588 0.203 1.753 103 HG21 ILE 15 1HG2 ILE 15 -3.056 0.639 1.548 104 HG22 ILE 15 2HG2 ILE 15 -1.509 1.451 1.779 105 HG23 ILE 15 3HG2 ILE 15 -2.179 0.460 3.070 106 HD11 ILE 15 3HD1 ILE 15 -0.253 -1.916 3.728 107 HD12 ILE 15 1HD1 ILE 15 -0.315 -0.171 4.004 108 HD13 ILE 15 2HD1 ILE 15 1.236 -0.972 3.764 109 H CYS 16 H CYS 16 -4.285 -1.168 2.768 110 HA CYS 16 HA CYS 16 -5.806 -2.038 0.483 111 HB2 CYS 16 2HB CYS 16 -6.880 -1.280 3.196 112 HB3 CYS 16 1HB CYS 16 -7.780 -2.054 1.889 113 H THR 17 H THR 17 -7.246 -0.811 -0.674 114 HA THR 17 HA THR 17 -7.075 2.075 -0.238 115 HB THR 17 HB THR 17 -6.845 0.792 -2.929 116 HG1 THR 17 1HG THR 17 -4.905 1.115 -0.967 117 HG21 THR 17 3HG2 THR 17 -7.471 3.145 -2.893 118 HG22 THR 17 1HG2 THR 17 -5.846 2.968 -3.554 119 HG23 THR 17 2HG2 THR 17 -6.069 3.520 -1.892 120 H ARG 18 H ARG 18 -9.067 2.886 -0.434 121 HA ARG 18 HA ARG 18 -11.259 3.178 -0.809 122 HB2 ARG 18 2HB ARG 18 -10.497 1.713 -3.288 123 HB3 ARG 18 1HB ARG 18 -12.077 2.460 -3.062 124 HG2 ARG 18 2HG ARG 18 -11.098 4.631 -2.837 125 HG3 ARG 18 1HG ARG 18 -9.474 3.949 -2.856 126 HD2 ARG 18 2HD ARG 18 -9.739 3.270 -5.146 127 HD3 ARG 18 1HD ARG 18 -11.429 3.791 -5.136 128 HE ARG 18 HE ARG 18 -10.539 6.041 -4.669 129 HH11 ARG 18 1HH1 ARG 18 -8.557 3.732 -6.499 130 HH12 ARG 18 2HH1 ARG 18 -7.677 4.923 -7.311 131 HH21 ARG 18 1HH2 ARG 18 -9.311 7.687 -5.777 132 HH22 ARG 18 2HH2 ARG 18 -8.125 7.225 -6.903 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -11.648 -1.151 0.788 2 HA2 GLY 1 2HA GLY 1 -12.768 -3.164 0.162 3 HA3 GLY 1 1HA GLY 1 -13.744 -2.231 -0.960 4 H ASP 2 H ASP 2 -10.706 -1.142 -1.417 5 HA ASP 2 HA ASP 2 -10.175 -3.209 -3.429 6 HB2 ASP 2 2HB ASP 2 -10.786 -1.070 -4.487 7 HB3 ASP 2 1HB ASP 2 -9.524 -0.260 -3.562 8 H CYS 3 H CYS 3 -8.346 -4.257 -3.167 9 HA CYS 3 HA CYS 3 -6.466 -3.122 -1.271 10 HB2 CYS 3 2HB CYS 3 -6.781 -5.978 -2.113 11 HB3 CYS 3 1HB CYS 3 -5.611 -5.374 -0.954 12 H ARG 4 H ARG 4 -4.476 -2.790 -1.712 13 HA ARG 4 HA ARG 4 -3.466 -3.558 -4.362 14 HB2 ARG 4 2HB ARG 4 -3.440 -0.730 -3.290 15 HB3 ARG 4 1HB ARG 4 -2.589 -1.266 -4.729 16 HG2 ARG 4 2HG ARG 4 -4.701 -1.800 -5.797 17 HG3 ARG 4 1HG ARG 4 -5.573 -1.346 -4.336 18 HD2 ARG 4 2HD ARG 4 -3.902 0.479 -6.060 19 HD3 ARG 4 1HD ARG 4 -5.659 0.423 -6.005 20 HE ARG 4 HE ARG 4 -3.858 1.468 -3.966 21 HH11 ARG 4 1HH1 ARG 4 -7.232 0.717 -4.794 22 HH12 ARG 4 2HH1 ARG 4 -7.898 2.047 -3.995 23 HH21 ARG 4 1HH2 ARG 4 -4.772 3.301 -2.801 24 HH22 ARG 4 2HH2 ARG 4 -6.452 3.563 -2.810 25 H CYS 5 H CYS 5 -1.382 -4.171 -4.293 26 HA CYS 5 HA CYS 5 0.023 -3.548 -1.855 27 HB2 CYS 5 2HB CYS 5 0.719 -5.551 -3.966 28 HB3 CYS 5 1HB CYS 5 1.692 -5.226 -2.551 29 H LEU 6 H LEU 6 1.397 -2.240 -1.805 30 HA LEU 6 HA LEU 6 2.319 -0.908 -4.278 31 HB2 LEU 6 2HB LEU 6 0.999 0.516 -2.816 32 HB3 LEU 6 1HB LEU 6 2.051 0.147 -1.469 33 HG LEU 6 HG LEU 6 3.903 1.303 -2.649 34 HD11 LEU 6 1HD1 LEU 6 1.758 2.105 -4.604 35 HD12 LEU 6 2HD1 LEU 6 3.149 1.068 -4.937 36 HD13 LEU 6 3HD1 LEU 6 3.390 2.765 -4.535 37 HD21 LEU 6 3HD2 LEU 6 3.063 3.568 -2.237 38 HD22 LEU 6 1HD2 LEU 6 2.593 2.454 -0.955 39 HD23 LEU 6 2HD2 LEU 6 1.419 2.938 -2.176 40 H CYS 7 H CYS 7 4.321 -1.654 -4.782 41 HA CYS 7 HA CYS 7 6.100 -2.050 -2.562 42 HB2 CYS 7 2HB CYS 7 6.524 -2.684 -5.500 43 HB3 CYS 7 1HB CYS 7 7.689 -3.025 -4.224 44 H ARG 8 H ARG 8 7.373 -0.590 -1.908 45 HA ARG 8 HA ARG 8 7.915 1.696 -3.646 46 HB2 ARG 8 2HB ARG 8 6.395 2.126 -1.736 47 HB3 ARG 8 1HB ARG 8 7.654 1.577 -0.641 48 HG2 ARG 8 2HG ARG 8 9.075 3.440 -1.396 49 HG3 ARG 8 1HG ARG 8 7.766 4.004 -2.426 50 HD2 ARG 8 2HD ARG 8 7.723 5.241 -0.349 51 HD3 ARG 8 1HD ARG 8 6.310 4.188 -0.443 52 HE ARG 8 HE ARG 8 8.665 3.229 0.973 53 HH11 ARG 8 1HH1 ARG 8 5.362 4.492 1.188 54 HH12 ARG 8 2HH1 ARG 8 5.118 3.983 2.780 55 HH21 ARG 8 1HH2 ARG 8 8.340 2.545 3.171 56 HH22 ARG 8 2HH2 ARG 8 6.865 2.860 3.967 57 H ARG 9 H ARG 9 9.920 1.326 -4.370 58 HA ARG 9 HA ARG 9 12.159 1.059 -4.456 59 HB2 ARG 9 2HB ARG 9 11.790 1.963 -1.681 60 HB3 ARG 9 1HB ARG 9 13.407 1.568 -2.261 61 HG2 ARG 9 2HG ARG 9 11.585 3.628 -3.529 62 HG3 ARG 9 1HG ARG 9 12.893 4.012 -2.405 63 HD2 ARG 9 2HD ARG 9 13.182 2.678 -5.115 64 HD3 ARG 9 1HD ARG 9 13.653 4.322 -4.689 65 HE ARG 9 HE ARG 9 15.005 2.860 -2.902 66 HH11 ARG 9 1HH1 ARG 9 14.871 2.589 -6.484 67 HH12 ARG 9 2HH1 ARG 9 16.443 1.942 -6.578 68 HH21 ARG 9 1HH2 ARG 9 17.165 1.999 -3.141 69 HH22 ARG 9 2HH2 ARG 9 17.754 1.608 -4.686 70 H GLY 10 H GLY 10 10.502 -1.110 -3.799 71 HA2 GLY 10 2HA GLY 10 11.309 -3.386 -3.938 72 HA3 GLY 10 1HA GLY 10 12.638 -2.914 -2.891 73 H ASP 11 H ASP 11 10.548 -1.401 -1.208 74 HA ASP 11 HA ASP 11 9.973 -3.745 0.407 75 HB2 ASP 11 2HB ASP 11 10.976 -1.786 1.533 76 HB3 ASP 11 1HB ASP 11 9.583 -0.816 1.051 77 H CYS 12 H CYS 12 8.057 -4.677 0.332 78 HA CYS 12 HA CYS 12 6.002 -3.164 -1.025 79 HB2 CYS 12 2HB CYS 12 6.032 -6.090 -0.530 80 HB3 CYS 12 1HB CYS 12 4.884 -5.211 -1.502 81 H ARG 13 H ARG 13 4.404 -2.561 -0.330 82 HA ARG 13 HA ARG 13 3.573 -3.245 2.426 83 HB2 ARG 13 2HB ARG 13 4.340 -0.922 2.196 84 HB3 ARG 13 1HB ARG 13 3.216 -0.668 0.877 85 HG2 ARG 13 2HG ARG 13 2.311 0.346 2.846 86 HG3 ARG 13 1HG ARG 13 1.339 -1.073 2.459 87 HD2 ARG 13 2HD ARG 13 1.762 -0.932 4.853 88 HD3 ARG 13 1HD ARG 13 2.551 -2.353 4.167 89 HE ARG 13 HE ARG 13 4.407 -0.328 4.091 90 HH11 ARG 13 1HH1 ARG 13 2.616 -2.044 6.654 91 HH12 ARG 13 2HH1 ARG 13 3.857 -1.853 7.785 92 HH21 ARG 13 1HH2 ARG 13 6.063 -0.077 5.668 93 HH22 ARG 13 2HH2 ARG 13 5.865 -0.714 7.245 94 H CYS 14 H CYS 14 1.757 -4.455 2.312 95 HA CYS 14 HA CYS 14 0.027 -3.916 0.079 96 HB2 CYS 14 2HB CYS 14 0.059 -6.277 1.974 97 HB3 CYS 14 1HB CYS 14 -1.209 -6.022 0.777 98 H ILE 15 H ILE 15 -1.804 -2.842 0.315 99 HA ILE 15 HA ILE 15 -2.857 -2.501 3.002 100 HB ILE 15 HB ILE 15 -1.367 -0.611 2.713 101 HG12 ILE 15 2HG1 ILE 15 -4.255 0.247 2.337 102 HG13 ILE 15 1HG1 ILE 15 -3.479 -0.145 3.864 103 HG21 ILE 15 1HG2 ILE 15 -2.807 -0.038 0.133 104 HG22 ILE 15 2HG2 ILE 15 -1.135 -0.576 0.320 105 HG23 ILE 15 3HG2 ILE 15 -1.615 1.020 0.892 106 HD11 ILE 15 3HD1 ILE 15 -3.719 2.247 3.554 107 HD12 ILE 15 1HD1 ILE 15 -2.772 2.157 2.073 108 HD13 ILE 15 2HD1 ILE 15 -2.018 1.781 3.623 109 H CYS 16 H CYS 16 -5.051 -2.093 3.058 110 HA CYS 16 HA CYS 16 -6.352 -2.274 0.480 111 HB2 CYS 16 2HB CYS 16 -7.338 -3.249 3.172 112 HB3 CYS 16 1HB CYS 16 -8.319 -3.222 1.715 113 H THR 17 H THR 17 -8.038 -0.823 0.062 114 HA THR 17 HA THR 17 -8.829 0.953 2.210 115 HB THR 17 HB THR 17 -7.843 2.000 -0.394 116 HG1 THR 17 1HG THR 17 -6.488 1.279 1.853 117 HG21 THR 17 3HG2 THR 17 -8.666 3.373 2.162 118 HG22 THR 17 1HG2 THR 17 -9.460 3.456 0.593 119 HG23 THR 17 2HG2 THR 17 -7.881 4.213 0.822 120 H ARG 18 H ARG 18 -10.853 1.100 2.113 121 HA ARG 18 HA ARG 18 -13.039 1.178 1.533 122 HB2 ARG 18 2HB ARG 18 -11.815 2.455 -0.826 123 HB3 ARG 18 1HB ARG 18 -13.552 2.536 -0.479 124 HG2 ARG 18 2HG ARG 18 -13.100 3.646 1.625 125 HG3 ARG 18 1HG ARG 18 -11.366 3.525 1.351 126 HD2 ARG 18 2HD ARG 18 -11.640 4.956 -0.642 127 HD3 ARG 18 1HD ARG 18 -13.357 5.109 -0.247 128 HE ARG 18 HE ARG 18 -11.982 5.801 2.016 129 HH11 ARG 18 1HH1 ARG 18 -12.279 7.047 -1.277 130 HH12 ARG 18 2HH1 ARG 18 -11.940 8.663 -0.854 131 HH21 ARG 18 1HH2 ARG 18 -11.532 8.053 2.606 132 HH22 ARG 18 2HH2 ARG 18 -11.538 9.235 1.375 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -11.545 -0.982 1.106 2 HA2 GLY 1 2HA GLY 1 -12.345 -3.117 1.781 3 HA3 GLY 1 1HA GLY 1 -13.571 -3.018 0.528 4 H ASP 2 H ASP 2 -11.003 -1.870 -1.030 5 HA ASP 2 HA ASP 2 -10.320 -4.550 -2.009 6 HB2 ASP 2 2HB ASP 2 -11.490 -3.104 -3.662 7 HB3 ASP 2 1HB ASP 2 -10.207 -1.911 -3.490 8 H CYS 3 H CYS 3 -8.189 -5.075 -2.188 9 HA CYS 3 HA CYS 3 -6.466 -3.162 -0.901 10 HB2 CYS 3 2HB CYS 3 -6.054 -6.110 -1.226 11 HB3 CYS 3 1HB CYS 3 -4.962 -5.020 -0.396 12 H ARG 4 H ARG 4 -4.766 -2.403 -1.746 13 HA ARG 4 HA ARG 4 -4.113 -3.165 -4.515 14 HB2 ARG 4 2HB ARG 4 -3.636 -0.461 -3.226 15 HB3 ARG 4 1HB ARG 4 -3.455 -0.879 -4.920 16 HG2 ARG 4 2HG ARG 4 -6.011 -0.526 -3.357 17 HG3 ARG 4 1HG ARG 4 -5.413 0.453 -4.693 18 HD2 ARG 4 2HD ARG 4 -6.401 -2.396 -4.817 19 HD3 ARG 4 1HD ARG 4 -7.202 -0.971 -5.464 20 HE ARG 4 HE ARG 4 -4.701 -1.129 -6.649 21 HH11 ARG 4 1HH1 ARG 4 -7.737 -2.984 -6.589 22 HH12 ARG 4 2HH1 ARG 4 -7.465 -3.670 -8.137 23 HH21 ARG 4 1HH2 ARG 4 -4.365 -2.136 -8.749 24 HH22 ARG 4 2HH2 ARG 4 -5.565 -3.200 -9.350 25 H CYS 5 H CYS 5 -1.765 -3.172 -4.928 26 HA CYS 5 HA CYS 5 -0.353 -3.145 -2.427 27 HB2 CYS 5 2HB CYS 5 0.122 -5.003 -4.728 28 HB3 CYS 5 1HB CYS 5 1.122 -4.909 -3.288 29 H LEU 6 H LEU 6 1.559 -2.263 -2.263 30 HA LEU 6 HA LEU 6 2.393 -0.564 -4.506 31 HB2 LEU 6 2HB LEU 6 1.139 0.650 -2.772 32 HB3 LEU 6 1HB LEU 6 2.221 0.032 -1.551 33 HG LEU 6 HG LEU 6 4.075 1.307 -2.634 34 HD11 LEU 6 1HD1 LEU 6 1.848 2.563 -4.212 35 HD12 LEU 6 2HD1 LEU 6 3.031 1.441 -4.861 36 HD13 LEU 6 3HD1 LEU 6 3.556 3.011 -4.244 37 HD21 LEU 6 3HD2 LEU 6 2.935 2.196 -0.689 38 HD22 LEU 6 1HD2 LEU 6 1.668 2.874 -1.723 39 HD23 LEU 6 2HD2 LEU 6 3.312 3.491 -1.830 40 H CYS 7 H CYS 7 4.671 -0.372 -4.670 41 HA CYS 7 HA CYS 7 6.127 -1.797 -2.634 42 HB2 CYS 7 2HB CYS 7 6.623 -2.040 -5.618 43 HB3 CYS 7 1HB CYS 7 7.723 -2.653 -4.396 44 H ARG 8 H ARG 8 7.790 -0.563 -1.849 45 HA ARG 8 HA ARG 8 8.868 1.496 -3.576 46 HB2 ARG 8 2HB ARG 8 8.763 3.175 -1.768 47 HB3 ARG 8 1HB ARG 8 7.174 2.665 -2.314 48 HG2 ARG 8 2HG ARG 8 7.012 1.193 -0.339 49 HG3 ARG 8 1HG ARG 8 8.567 1.801 0.217 50 HD2 ARG 8 2HD ARG 8 6.001 3.328 -0.139 51 HD3 ARG 8 1HD ARG 8 6.858 3.009 1.362 52 HE ARG 8 HE ARG 8 8.253 4.561 -0.664 53 HH11 ARG 8 1HH1 ARG 8 6.509 4.603 2.445 54 HH12 ARG 8 2HH1 ARG 8 6.945 6.197 2.815 55 HH21 ARG 8 1HH2 ARG 8 8.782 6.773 -0.149 56 HH22 ARG 8 2HH2 ARG 8 8.282 7.437 1.344 57 H ARG 9 H ARG 9 10.944 1.445 -3.628 58 HA ARG 9 HA ARG 9 13.128 1.073 -3.222 59 HB2 ARG 9 2HB ARG 9 12.283 1.222 -0.355 60 HB3 ARG 9 1HB ARG 9 13.963 1.226 -0.888 61 HG2 ARG 9 2HG ARG 9 13.474 3.290 -2.199 62 HG3 ARG 9 1HG ARG 9 11.870 3.304 -1.486 63 HD2 ARG 9 2HD ARG 9 13.364 4.823 -0.307 64 HD3 ARG 9 1HD ARG 9 12.835 3.508 0.734 65 HE ARG 9 HE ARG 9 15.107 2.513 -0.071 66 HH11 ARG 9 1HH1 ARG 9 14.475 5.879 0.817 67 HH12 ARG 9 2HH1 ARG 9 16.012 6.138 1.486 68 HH21 ARG 9 1HH2 ARG 9 17.171 2.840 0.839 69 HH22 ARG 9 2HH2 ARG 9 17.599 4.359 1.520 70 H GLY 10 H GLY 10 11.169 -1.110 -3.286 71 HA2 GLY 10 2HA GLY 10 11.814 -3.389 -3.690 72 HA3 GLY 10 1HA GLY 10 13.022 -3.220 -2.418 73 H ASP 11 H ASP 11 10.774 -1.695 -0.966 74 HA ASP 11 HA ASP 11 9.867 -4.024 0.480 75 HB2 ASP 11 2HB ASP 11 10.698 -2.185 1.802 76 HB3 ASP 11 1HB ASP 11 9.606 -1.063 1.006 77 H CYS 12 H CYS 12 8.145 -5.004 -0.282 78 HA CYS 12 HA CYS 12 6.054 -3.372 -1.461 79 HB2 CYS 12 2HB CYS 12 6.332 -6.341 -1.441 80 HB3 CYS 12 1HB CYS 12 5.000 -5.473 -2.161 81 H ARG 13 H ARG 13 4.314 -3.080 -0.726 82 HA ARG 13 HA ARG 13 3.341 -4.497 1.673 83 HB2 ARG 13 2HB ARG 13 4.699 -2.544 2.439 84 HB3 ARG 13 1HB ARG 13 3.591 -1.490 1.581 85 HG2 ARG 13 2HG ARG 13 1.773 -2.163 3.010 86 HG3 ARG 13 1HG ARG 13 2.813 -3.310 3.851 87 HD2 ARG 13 2HD ARG 13 2.659 -1.332 5.184 88 HD3 ARG 13 1HD ARG 13 4.280 -1.399 4.489 89 HE ARG 13 HE ARG 13 2.092 0.305 3.521 90 HH11 ARG 13 1HH1 ARG 13 5.595 -0.281 3.790 91 HH12 ARG 13 2HH1 ARG 13 6.010 1.318 3.398 92 HH21 ARG 13 1HH2 ARG 13 2.690 2.455 2.958 93 HH22 ARG 13 2HH2 ARG 13 4.315 2.936 2.903 94 H CYS 14 H CYS 14 1.106 -4.644 1.716 95 HA CYS 14 HA CYS 14 -0.172 -3.284 -0.486 96 HB2 CYS 14 2HB CYS 14 -1.182 -5.645 1.117 97 HB3 CYS 14 1HB CYS 14 -2.005 -4.920 -0.262 98 H ILE 15 H ILE 15 -1.982 -2.067 -0.273 99 HA ILE 15 HA ILE 15 -2.690 -1.282 2.454 100 HB ILE 15 HB ILE 15 -1.289 0.499 1.510 101 HG12 ILE 15 2HG1 ILE 15 -4.212 1.322 1.461 102 HG13 ILE 15 1HG1 ILE 15 -3.212 1.191 2.900 103 HG21 ILE 15 1HG2 ILE 15 -3.186 0.559 -0.834 104 HG22 ILE 15 2HG2 ILE 15 -1.508 0.025 -0.849 105 HG23 ILE 15 3HG2 ILE 15 -1.889 1.720 -0.536 106 HD11 ILE 15 3HD1 ILE 15 -3.485 3.509 2.202 107 HD12 ILE 15 1HD1 ILE 15 -2.798 3.126 0.627 108 HD13 ILE 15 2HD1 ILE 15 -1.798 3.009 2.074 109 H CYS 16 H CYS 16 -4.877 -1.144 2.804 110 HA CYS 16 HA CYS 16 -6.467 -1.787 0.458 111 HB2 CYS 16 2HB CYS 16 -7.154 -2.400 3.332 112 HB3 CYS 16 1HB CYS 16 -8.002 -2.955 1.895 113 H THR 17 H THR 17 -8.237 -0.714 -0.088 114 HA THR 17 HA THR 17 -9.202 1.411 1.639 115 HB THR 17 HB THR 17 -8.352 2.030 -1.200 116 HG1 THR 17 1HG THR 17 -6.898 1.944 1.163 117 HG21 THR 17 3HG2 THR 17 -10.059 3.499 -0.194 118 HG22 THR 17 1HG2 THR 17 -8.544 4.367 -0.445 119 HG23 THR 17 2HG2 THR 17 -8.986 3.803 1.165 120 H ARG 18 H ARG 18 -11.345 1.716 1.293 121 HA ARG 18 HA ARG 18 -13.466 1.388 0.689 122 HB2 ARG 18 2HB ARG 18 -12.397 0.977 -2.111 123 HB3 ARG 18 1HB ARG 18 -14.060 1.326 -1.655 124 HG2 ARG 18 2HG ARG 18 -11.709 3.173 -1.277 125 HG3 ARG 18 1HG ARG 18 -12.935 3.311 -2.528 126 HD2 ARG 18 2HD ARG 18 -14.645 3.682 -0.837 127 HD3 ARG 18 1HD ARG 18 -13.449 3.479 0.447 128 HE ARG 18 HE ARG 18 -12.706 5.496 -1.405 129 HH11 ARG 18 1HH1 ARG 18 -14.762 4.942 1.403 130 HH12 ARG 18 2HH1 ARG 18 -14.797 6.576 1.874 131 HH21 ARG 18 1HH2 ARG 18 -12.748 7.703 -0.757 132 HH22 ARG 18 2HH2 ARG 18 -13.624 8.175 0.631 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -11.107 -2.312 1.291 2 HA2 GLY 1 2HA GLY 1 -11.916 -4.660 1.089 3 HA3 GLY 1 1HA GLY 1 -13.110 -4.027 -0.029 4 H ASP 2 H ASP 2 -10.742 -2.191 -0.988 5 HA ASP 2 HA ASP 2 -9.828 -4.191 -2.926 6 HB2 ASP 2 2HB ASP 2 -10.984 -2.257 -3.916 7 HB3 ASP 2 1HB ASP 2 -9.852 -1.166 -3.124 8 H CYS 3 H CYS 3 -7.780 -4.857 -2.771 9 HA CYS 3 HA CYS 3 -6.062 -3.114 -1.245 10 HB2 CYS 3 2HB CYS 3 -5.711 -5.976 -1.914 11 HB3 CYS 3 1HB CYS 3 -4.461 -5.037 -1.145 12 H ARG 4 H ARG 4 -4.828 -2.016 -2.133 13 HA ARG 4 HA ARG 4 -3.861 -2.584 -4.867 14 HB2 ARG 4 2HB ARG 4 -5.414 -0.563 -4.384 15 HB3 ARG 4 1HB ARG 4 -4.024 0.145 -3.591 16 HG2 ARG 4 2HG ARG 4 -4.245 0.997 -5.847 17 HG3 ARG 4 1HG ARG 4 -2.770 0.046 -5.686 18 HD2 ARG 4 2HD ARG 4 -4.065 -0.382 -7.786 19 HD3 ARG 4 1HD ARG 4 -3.749 -1.820 -6.823 20 HE ARG 4 HE ARG 4 -6.191 -1.151 -5.955 21 HH11 ARG 4 1HH1 ARG 4 -5.020 -1.243 -9.291 22 HH12 ARG 4 2HH1 ARG 4 -6.485 -1.836 -9.926 23 HH21 ARG 4 1HH2 ARG 4 -8.146 -1.981 -6.802 24 HH22 ARG 4 2HH2 ARG 4 -8.297 -2.304 -8.480 25 H CYS 5 H CYS 5 -1.853 -3.412 -4.556 26 HA CYS 5 HA CYS 5 -0.338 -2.394 -2.327 27 HB2 CYS 5 2HB CYS 5 0.268 -4.796 -4.022 28 HB3 CYS 5 1HB CYS 5 1.095 -4.328 -2.545 29 H LEU 6 H LEU 6 1.445 -1.429 -2.355 30 HA LEU 6 HA LEU 6 2.599 -0.670 -4.972 31 HB2 LEU 6 2HB LEU 6 2.237 1.096 -2.541 32 HB3 LEU 6 1HB LEU 6 3.008 1.573 -4.040 33 HG LEU 6 HG LEU 6 0.086 0.852 -3.760 34 HD11 LEU 6 1HD1 LEU 6 1.420 3.531 -4.050 35 HD12 LEU 6 2HD1 LEU 6 0.622 2.920 -2.601 36 HD13 LEU 6 3HD1 LEU 6 -0.319 3.237 -4.060 37 HD21 LEU 6 3HD2 LEU 6 1.635 2.012 -6.081 38 HD22 LEU 6 1HD2 LEU 6 -0.113 1.793 -6.014 39 HD23 LEU 6 2HD2 LEU 6 0.948 0.388 -5.991 40 H CYS 7 H CYS 7 4.882 -0.624 -4.994 41 HA CYS 7 HA CYS 7 6.025 -1.554 -2.488 42 HB2 CYS 7 2HB CYS 7 6.941 -2.320 -5.267 43 HB3 CYS 7 1HB CYS 7 7.628 -2.905 -3.756 44 H ARG 8 H ARG 8 8.060 -0.845 -1.886 45 HA ARG 8 HA ARG 8 9.186 1.388 -3.413 46 HB2 ARG 8 2HB ARG 8 7.685 2.079 -1.485 47 HB3 ARG 8 1HB ARG 8 8.807 1.241 -0.432 48 HG2 ARG 8 2HG ARG 8 9.390 3.500 -0.239 49 HG3 ARG 8 1HG ARG 8 10.590 2.835 -1.342 50 HD2 ARG 8 2HD ARG 8 8.091 4.260 -2.247 51 HD3 ARG 8 1HD ARG 8 9.625 5.075 -1.992 52 HE ARG 8 HE ARG 8 10.442 3.348 -3.713 53 HH11 ARG 8 1HH1 ARG 8 7.223 4.871 -3.805 54 HH12 ARG 8 2HH1 ARG 8 7.183 4.951 -5.499 55 HH21 ARG 8 1HH2 ARG 8 10.335 3.468 -6.029 56 HH22 ARG 8 2HH2 ARG 8 8.962 4.139 -6.793 57 H ARG 9 H ARG 9 11.089 0.417 -3.996 58 HA ARG 9 HA ARG 9 13.226 -0.335 -3.850 59 HB2 ARG 9 2HB ARG 9 12.886 0.299 -0.945 60 HB3 ARG 9 1HB ARG 9 14.429 -0.111 -1.690 61 HG2 ARG 9 2HG ARG 9 14.262 1.854 -3.113 62 HG3 ARG 9 1HG ARG 9 12.706 2.249 -2.375 63 HD2 ARG 9 2HD ARG 9 13.764 2.468 -0.218 64 HD3 ARG 9 1HD ARG 9 15.322 2.028 -0.918 65 HE ARG 9 HE ARG 9 14.435 4.152 -2.373 66 HH11 ARG 9 1HH1 ARG 9 15.023 3.555 1.049 67 HH12 ARG 9 2HH1 ARG 9 15.568 5.123 1.395 68 HH21 ARG 9 1HH2 ARG 9 15.176 6.352 -1.922 69 HH22 ARG 9 2HH2 ARG 9 15.665 6.748 -0.339 70 H GLY 10 H GLY 10 10.926 -2.103 -3.302 71 HA2 GLY 10 2HA GLY 10 11.302 -4.491 -3.509 72 HA3 GLY 10 1HA GLY 10 12.554 -4.330 -2.288 73 H ASP 11 H ASP 11 10.706 -2.474 -0.656 74 HA ASP 11 HA ASP 11 9.310 -4.704 0.501 75 HB2 ASP 11 2HB ASP 11 8.904 -3.219 2.422 76 HB3 ASP 11 1HB ASP 11 10.616 -3.436 2.119 77 H CYS 12 H CYS 12 7.175 -4.905 0.526 78 HA CYS 12 HA CYS 12 5.823 -2.844 -1.015 79 HB2 CYS 12 2HB CYS 12 5.025 -5.711 -0.755 80 HB3 CYS 12 1HB CYS 12 4.211 -4.498 -1.712 81 H ARG 13 H ARG 13 4.139 -1.960 -0.440 82 HA ARG 13 HA ARG 13 2.962 -2.591 2.196 83 HB2 ARG 13 2HB ARG 13 4.121 -0.408 2.273 84 HB3 ARG 13 1HB ARG 13 3.237 0.121 0.849 85 HG2 ARG 13 2HG ARG 13 2.311 1.136 2.840 86 HG3 ARG 13 1HG ARG 13 1.143 0.012 2.141 87 HD2 ARG 13 2HD ARG 13 1.937 -1.701 3.776 88 HD3 ARG 13 1HD ARG 13 2.919 -0.451 4.530 89 HE ARG 13 HE ARG 13 0.344 0.542 4.433 90 HH11 ARG 13 1HH1 ARG 13 1.937 -2.259 5.898 91 HH12 ARG 13 2HH1 ARG 13 0.887 -2.323 7.236 92 HH21 ARG 13 1HH2 ARG 13 -1.132 0.399 6.251 93 HH22 ARG 13 2HH2 ARG 13 -0.897 -0.822 7.419 94 H CYS 14 H CYS 14 0.761 -2.855 2.184 95 HA CYS 14 HA CYS 14 -0.372 -2.431 -0.401 96 HB2 CYS 14 2HB CYS 14 -1.235 -4.339 1.752 97 HB3 CYS 14 1HB CYS 14 -2.194 -4.021 0.313 98 H ILE 15 H ILE 15 -1.979 -1.080 -0.723 99 HA ILE 15 HA ILE 15 -2.981 0.367 1.591 100 HB ILE 15 HB ILE 15 -3.162 0.991 -1.385 101 HG12 ILE 15 2HG1 ILE 15 -0.834 1.168 -0.640 102 HG13 ILE 15 1HG1 ILE 15 -1.485 2.761 -0.990 103 HG21 ILE 15 1HG2 ILE 15 -3.869 2.719 0.984 104 HG22 ILE 15 2HG2 ILE 15 -5.004 1.965 -0.132 105 HG23 ILE 15 3HG2 ILE 15 -3.911 3.224 -0.707 106 HD11 ILE 15 3HD1 ILE 15 -1.777 3.155 1.412 107 HD12 ILE 15 1HD1 ILE 15 -0.098 2.796 1.002 108 HD13 ILE 15 2HD1 ILE 15 -1.105 1.558 1.747 109 H CYS 16 H CYS 16 -4.516 -1.021 2.268 110 HA CYS 16 HA CYS 16 -6.400 -1.981 0.289 111 HB2 CYS 16 2HB CYS 16 -6.057 -2.778 3.182 112 HB3 CYS 16 1HB CYS 16 -7.273 -3.421 2.083 113 H THR 17 H THR 17 -8.024 -0.872 -0.092 114 HA THR 17 HA THR 17 -9.110 0.676 2.094 115 HB THR 17 HB THR 17 -7.873 2.139 0.883 116 HG1 THR 17 1HG THR 17 -9.401 3.637 0.849 117 HG21 THR 17 3HG2 THR 17 -8.225 2.675 -1.544 118 HG22 THR 17 1HG2 THR 17 -9.307 1.286 -1.633 119 HG23 THR 17 2HG2 THR 17 -7.602 1.051 -1.254 120 H ARG 18 H ARG 18 -10.908 0.193 2.531 121 HA ARG 18 HA ARG 18 -13.106 -0.432 2.594 122 HB2 ARG 18 2HB ARG 18 -13.128 0.662 -0.196 123 HB3 ARG 18 1HB ARG 18 -14.531 0.417 0.844 124 HG2 ARG 18 2HG ARG 18 -13.709 2.091 2.391 125 HG3 ARG 18 1HG ARG 18 -12.259 2.310 1.412 126 HD2 ARG 18 2HD ARG 18 -15.096 2.883 0.576 127 HD3 ARG 18 1HD ARG 18 -13.858 4.080 0.949 128 HE ARG 18 HE ARG 18 -13.785 2.227 -1.336 129 HH11 ARG 18 1HH1 ARG 18 -12.848 5.318 0.120 130 HH12 ARG 18 2HH1 ARG 18 -12.309 6.003 -1.336 131 HH21 ARG 18 1HH2 ARG 18 -13.032 3.199 -3.362 132 HH22 ARG 18 2HH2 ARG 18 -12.447 4.789 -3.341 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -11.246 -1.226 1.231 2 HA2 GLY 1 2HA GLY 1 -11.509 -3.474 1.986 3 HA3 GLY 1 1HA GLY 1 -12.899 -3.631 0.911 4 H ASP 2 H ASP 2 -10.983 -2.147 -1.063 5 HA ASP 2 HA ASP 2 -9.982 -4.593 -2.256 6 HB2 ASP 2 2HB ASP 2 -10.157 -1.739 -3.267 7 HB3 ASP 2 1HB ASP 2 -9.440 -3.062 -4.173 8 H CYS 3 H CYS 3 -7.984 -5.186 -1.668 9 HA CYS 3 HA CYS 3 -6.253 -3.049 -0.807 10 HB2 CYS 3 2HB CYS 3 -5.743 -5.972 -0.566 11 HB3 CYS 3 1HB CYS 3 -4.845 -4.689 0.210 12 H ARG 4 H ARG 4 -4.949 -2.251 -1.835 13 HA ARG 4 HA ARG 4 -3.985 -3.493 -4.317 14 HB2 ARG 4 2HB ARG 4 -3.621 -1.153 -5.155 15 HB3 ARG 4 1HB ARG 4 -5.300 -1.576 -4.881 16 HG2 ARG 4 2HG ARG 4 -5.036 -0.408 -2.615 17 HG3 ARG 4 1HG ARG 4 -3.535 0.247 -3.278 18 HD2 ARG 4 2HD ARG 4 -5.412 1.802 -3.566 19 HD3 ARG 4 1HD ARG 4 -4.786 1.251 -5.129 20 HE ARG 4 HE ARG 4 -6.718 -0.495 -4.764 21 HH11 ARG 4 1HH1 ARG 4 -6.917 3.018 -4.298 22 HH12 ARG 4 2HH1 ARG 4 -8.577 3.084 -4.657 23 HH21 ARG 4 1HH2 ARG 4 -8.927 -0.383 -5.249 24 HH22 ARG 4 2HH2 ARG 4 -9.736 1.126 -5.204 25 H CYS 5 H CYS 5 -1.801 -3.539 -4.722 26 HA CYS 5 HA CYS 5 -0.334 -2.946 -2.318 27 HB2 CYS 5 2HB CYS 5 0.321 -4.970 -4.435 28 HB3 CYS 5 1HB CYS 5 1.274 -4.673 -2.987 29 H LEU 6 H LEU 6 1.570 -1.947 -2.259 30 HA LEU 6 HA LEU 6 2.401 -0.499 -4.683 31 HB2 LEU 6 2HB LEU 6 2.474 0.471 -1.823 32 HB3 LEU 6 1HB LEU 6 2.932 1.379 -3.242 33 HG LEU 6 HG LEU 6 0.135 0.535 -2.500 34 HD11 LEU 6 1HD1 LEU 6 1.465 3.236 -2.488 35 HD12 LEU 6 2HD1 LEU 6 1.037 2.276 -1.076 36 HD13 LEU 6 3HD1 LEU 6 -0.232 2.911 -2.122 37 HD21 LEU 6 3HD2 LEU 6 1.129 2.197 -4.821 38 HD22 LEU 6 1HD2 LEU 6 -0.563 1.957 -4.380 39 HD23 LEU 6 2HD2 LEU 6 0.405 0.589 -4.912 40 H CYS 7 H CYS 7 4.752 0.004 -4.580 41 HA CYS 7 HA CYS 7 6.091 -1.588 -2.559 42 HB2 CYS 7 2HB CYS 7 6.944 -1.516 -5.474 43 HB3 CYS 7 1HB CYS 7 7.764 -2.382 -4.184 44 H ARG 8 H ARG 8 7.807 -0.646 -1.598 45 HA ARG 8 HA ARG 8 8.996 1.664 -2.891 46 HB2 ARG 8 2HB ARG 8 7.342 2.579 -1.274 47 HB3 ARG 8 1HB ARG 8 8.067 1.621 0.004 48 HG2 ARG 8 2HG ARG 8 10.033 2.913 0.019 49 HG3 ARG 8 1HG ARG 8 9.647 3.672 -1.523 50 HD2 ARG 8 2HD ARG 8 9.297 5.217 0.338 51 HD3 ARG 8 1HD ARG 8 7.778 4.850 -0.466 52 HE ARG 8 HE ARG 8 8.126 3.104 1.696 53 HH11 ARG 8 1HH1 ARG 8 7.506 6.558 1.110 54 HH12 ARG 8 2HH1 ARG 8 6.637 6.793 2.541 55 HH21 ARG 8 1HH2 ARG 8 6.912 3.440 3.665 56 HH22 ARG 8 2HH2 ARG 8 6.259 4.969 4.020 57 H ARG 9 H ARG 9 11.089 1.440 -2.992 58 HA ARG 9 HA ARG 9 13.228 0.802 -2.600 59 HB2 ARG 9 2HB ARG 9 12.240 0.037 0.132 60 HB3 ARG 9 1HB ARG 9 13.930 0.100 -0.325 61 HG2 ARG 9 2HG ARG 9 13.756 2.495 -0.654 62 HG3 ARG 9 1HG ARG 9 12.037 2.439 -0.254 63 HD2 ARG 9 2HD ARG 9 12.651 1.466 1.947 64 HD3 ARG 9 1HD ARG 9 14.345 1.742 1.544 65 HE ARG 9 HE ARG 9 13.525 4.149 1.245 66 HH11 ARG 9 1HH1 ARG 9 12.223 1.908 3.673 67 HH12 ARG 9 2HH1 ARG 9 12.007 3.133 4.846 68 HH21 ARG 9 1HH2 ARG 9 13.184 5.801 2.872 69 HH22 ARG 9 2HH2 ARG 9 12.548 5.361 4.383 70 H GLY 10 H GLY 10 11.013 -1.075 -3.378 71 HA2 GLY 10 2HA GLY 10 11.172 -3.245 -4.266 72 HA3 GLY 10 1HA GLY 10 12.614 -3.509 -3.285 73 H ASP 11 H ASP 11 10.571 -2.185 -1.189 74 HA ASP 11 HA ASP 11 9.740 -4.784 -0.134 75 HB2 ASP 11 2HB ASP 11 11.041 -3.115 1.272 76 HB3 ASP 11 1HB ASP 11 9.668 -2.030 1.150 77 H CYS 12 H CYS 12 7.747 -5.361 -0.814 78 HA CYS 12 HA CYS 12 5.931 -3.245 -1.558 79 HB2 CYS 12 2HB CYS 12 5.592 -6.176 -1.937 80 HB3 CYS 12 1HB CYS 12 4.574 -4.926 -2.609 81 H ARG 13 H ARG 13 4.264 -2.742 -0.723 82 HA ARG 13 HA ARG 13 3.258 -4.133 1.684 83 HB2 ARG 13 2HB ARG 13 3.795 -1.148 1.498 84 HB3 ARG 13 1HB ARG 13 3.066 -1.973 2.875 85 HG2 ARG 13 2HG ARG 13 5.075 -3.230 3.246 86 HG3 ARG 13 1HG ARG 13 5.812 -2.545 1.808 87 HD2 ARG 13 2HD ARG 13 5.739 -0.326 2.875 88 HD3 ARG 13 1HD ARG 13 5.066 -1.075 4.335 89 HE ARG 13 HE ARG 13 7.414 -2.371 3.421 90 HH11 ARG 13 1HH1 ARG 13 6.391 0.470 5.261 91 HH12 ARG 13 2HH1 ARG 13 7.777 0.522 6.246 92 HH21 ARG 13 1HH2 ARG 13 9.317 -2.299 4.714 93 HH22 ARG 13 2HH2 ARG 13 9.546 -1.116 5.902 94 H CYS 14 H CYS 14 0.966 -3.784 2.052 95 HA CYS 14 HA CYS 14 -0.204 -2.737 -0.384 96 HB2 CYS 14 2HB CYS 14 -1.328 -4.976 1.292 97 HB3 CYS 14 1HB CYS 14 -1.962 -4.399 -0.239 98 H ILE 15 H ILE 15 -1.994 -1.554 -0.347 99 HA ILE 15 HA ILE 15 -2.821 -0.606 2.287 100 HB ILE 15 HB ILE 15 -1.564 1.165 1.196 101 HG12 ILE 15 2HG1 ILE 15 -4.519 1.770 0.949 102 HG13 ILE 15 1HG1 ILE 15 -3.595 1.824 2.444 103 HG21 ILE 15 1HG2 ILE 15 -2.167 2.106 -0.974 104 HG22 ILE 15 2HG2 ILE 15 -3.398 0.856 -1.166 105 HG23 ILE 15 3HG2 ILE 15 -1.695 0.409 -1.101 106 HD11 ILE 15 3HD1 ILE 15 -3.963 4.047 1.519 107 HD12 ILE 15 1HD1 ILE 15 -3.145 3.570 0.032 108 HD13 ILE 15 2HD1 ILE 15 -2.247 3.649 1.548 109 H CYS 16 H CYS 16 -4.943 -0.694 2.691 110 HA CYS 16 HA CYS 16 -6.561 -1.721 0.527 111 HB2 CYS 16 2HB CYS 16 -7.121 -1.735 3.492 112 HB3 CYS 16 1HB CYS 16 -8.106 -2.513 2.255 113 H THR 17 H THR 17 -8.267 -0.743 -0.302 114 HA THR 17 HA THR 17 -9.276 1.646 1.040 115 HB THR 17 HB THR 17 -8.745 1.514 -1.894 116 HG1 THR 17 1HG THR 17 -6.976 1.791 0.088 117 HG21 THR 17 3HG2 THR 17 -9.244 3.832 -0.021 118 HG22 THR 17 1HG2 THR 17 -10.397 3.147 -1.167 119 HG23 THR 17 2HG2 THR 17 -8.957 3.979 -1.755 120 H ARG 18 H ARG 18 -11.384 1.457 1.090 121 HA ARG 18 HA ARG 18 -13.508 0.730 0.832 122 HB2 ARG 18 2HB ARG 18 -12.592 0.470 -2.011 123 HB3 ARG 18 1HB ARG 18 -14.250 0.197 -1.486 124 HG2 ARG 18 2HG ARG 18 -12.769 2.798 -1.127 125 HG3 ARG 18 1HG ARG 18 -13.880 2.461 -2.460 126 HD2 ARG 18 2HD ARG 18 -15.650 1.992 -0.775 127 HD3 ARG 18 1HD ARG 18 -14.540 2.507 0.486 128 HE ARG 18 HE ARG 18 -14.490 4.663 -0.934 129 HH11 ARG 18 1HH1 ARG 18 -17.357 2.621 -0.409 130 HH12 ARG 18 2HH1 ARG 18 -18.442 3.927 -0.420 131 HH21 ARG 18 1HH2 ARG 18 -16.022 6.430 -0.976 132 HH22 ARG 18 2HH2 ARG 18 -17.683 6.139 -0.752 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -11.224 -0.797 1.121 2 HA2 GLY 1 2HA GLY 1 -12.182 -2.981 1.281 3 HA3 GLY 1 1HA GLY 1 -13.394 -2.492 0.105 4 H ASP 2 H ASP 2 -10.595 -1.387 -1.163 5 HA ASP 2 HA ASP 2 -10.202 -3.848 -2.674 6 HB2 ASP 2 2HB ASP 2 -9.771 -0.943 -3.386 7 HB3 ASP 2 1HB ASP 2 -9.087 -2.256 -4.332 8 H CYS 3 H CYS 3 -8.430 -4.900 -2.127 9 HA CYS 3 HA CYS 3 -6.390 -3.390 -0.784 10 HB2 CYS 3 2HB CYS 3 -6.636 -6.331 -1.164 11 HB3 CYS 3 1HB CYS 3 -5.371 -5.552 -0.240 12 H ARG 4 H ARG 4 -4.748 -2.801 -1.588 13 HA ARG 4 HA ARG 4 -4.015 -3.700 -4.304 14 HB2 ARG 4 2HB ARG 4 -3.971 -0.913 -3.145 15 HB3 ARG 4 1HB ARG 4 -3.389 -1.352 -4.742 16 HG2 ARG 4 2HG ARG 4 -5.597 -1.927 -5.467 17 HG3 ARG 4 1HG ARG 4 -6.231 -1.756 -3.831 18 HD2 ARG 4 2HD ARG 4 -6.778 0.179 -5.225 19 HD3 ARG 4 1HD ARG 4 -5.746 0.615 -3.864 20 HE ARG 4 HE ARG 4 -4.400 0.045 -6.349 21 HH11 ARG 4 1HH1 ARG 4 -5.782 2.557 -4.246 22 HH12 ARG 4 2HH1 ARG 4 -4.843 3.803 -4.917 23 HH21 ARG 4 1HH2 ARG 4 -3.155 1.806 -7.275 24 HH22 ARG 4 2HH2 ARG 4 -3.316 3.380 -6.654 25 H CYS 5 H CYS 5 -1.919 -4.339 -4.453 26 HA CYS 5 HA CYS 5 -0.266 -3.591 -2.220 27 HB2 CYS 5 2HB CYS 5 0.189 -5.755 -4.253 28 HB3 CYS 5 1HB CYS 5 1.267 -5.393 -2.915 29 H LEU 6 H LEU 6 1.481 -2.536 -2.371 30 HA LEU 6 HA LEU 6 2.245 -1.426 -4.996 31 HB2 LEU 6 2HB LEU 6 0.844 0.172 -3.796 32 HB3 LEU 6 1HB LEU 6 1.882 0.049 -2.392 33 HG LEU 6 HG LEU 6 3.731 1.028 -3.742 34 HD11 LEU 6 1HD1 LEU 6 3.186 2.194 -5.814 35 HD12 LEU 6 2HD1 LEU 6 1.564 1.496 -5.781 36 HD13 LEU 6 3HD1 LEU 6 2.973 0.450 -5.967 37 HD21 LEU 6 3HD2 LEU 6 2.398 2.380 -2.225 38 HD22 LEU 6 1HD2 LEU 6 1.228 2.686 -3.508 39 HD23 LEU 6 2HD2 LEU 6 2.876 3.303 -3.647 40 H CYS 7 H CYS 7 4.438 -1.337 -5.290 41 HA CYS 7 HA CYS 7 5.998 -2.115 -2.985 42 HB2 CYS 7 2HB CYS 7 6.736 -2.321 -5.913 43 HB3 CYS 7 1HB CYS 7 7.735 -2.868 -4.568 44 H ARG 8 H ARG 8 7.416 -0.824 -2.094 45 HA ARG 8 HA ARG 8 8.257 1.580 -3.487 46 HB2 ARG 8 2HB ARG 8 6.083 2.035 -2.241 47 HB3 ARG 8 1HB ARG 8 6.940 1.658 -0.757 48 HG2 ARG 8 2HG ARG 8 6.895 4.021 -0.948 49 HG3 ARG 8 1HG ARG 8 8.536 3.515 -1.339 50 HD2 ARG 8 2HD ARG 8 7.877 5.170 -2.932 51 HD3 ARG 8 1HD ARG 8 7.944 3.615 -3.748 52 HE ARG 8 HE ARG 8 5.374 4.538 -2.732 53 HH11 ARG 8 1HH1 ARG 8 7.406 3.805 -5.551 54 HH12 ARG 8 2HH1 ARG 8 6.184 4.046 -6.695 55 HH21 ARG 8 1HH2 ARG 8 3.659 4.918 -4.335 56 HH22 ARG 8 2HH2 ARG 8 4.005 4.735 -5.982 57 H ARG 9 H ARG 9 10.322 2.089 -2.892 58 HA ARG 9 HA ARG 9 12.360 2.077 -1.908 59 HB2 ARG 9 2HB ARG 9 11.060 0.986 0.589 60 HB3 ARG 9 1HB ARG 9 12.598 1.831 0.493 61 HG2 ARG 9 2HG ARG 9 9.832 2.990 0.153 62 HG3 ARG 9 1HG ARG 9 10.968 3.295 1.455 63 HD2 ARG 9 2HD ARG 9 12.475 4.422 -0.083 64 HD3 ARG 9 1HD ARG 9 11.392 4.056 -1.430 65 HE ARG 9 HE ARG 9 10.623 5.722 0.856 66 HH11 ARG 9 1HH1 ARG 9 10.727 5.233 -2.692 67 HH12 ARG 9 2HH1 ARG 9 9.755 6.582 -3.031 68 HH21 ARG 9 1HH2 ARG 9 9.303 7.577 0.345 69 HH22 ARG 9 2HH2 ARG 9 8.915 7.954 -1.258 70 H GLY 10 H GLY 10 11.033 -0.303 -3.082 71 HA2 GLY 10 2HA GLY 10 12.065 -2.282 -3.831 72 HA3 GLY 10 1HA GLY 10 13.140 -2.215 -2.443 73 H ASP 11 H ASP 11 10.410 -1.667 -0.938 74 HA ASP 11 HA ASP 11 10.015 -4.528 -0.364 75 HB2 ASP 11 2HB ASP 11 10.821 -3.102 1.499 76 HB3 ASP 11 1HB ASP 11 9.413 -2.071 1.311 77 H CYS 12 H CYS 12 7.829 -5.324 -0.312 78 HA CYS 12 HA CYS 12 6.047 -3.417 -1.553 79 HB2 CYS 12 2HB CYS 12 5.754 -6.376 -1.599 80 HB3 CYS 12 1HB CYS 12 4.764 -5.227 -2.452 81 H ARG 13 H ARG 13 4.394 -2.821 -0.796 82 HA ARG 13 HA ARG 13 3.548 -3.765 1.886 83 HB2 ARG 13 2HB ARG 13 3.374 -1.008 0.656 84 HB3 ARG 13 1HB ARG 13 2.657 -1.455 2.183 85 HG2 ARG 13 2HG ARG 13 5.619 -1.469 1.599 86 HG3 ARG 13 1HG ARG 13 4.754 -0.153 2.387 87 HD2 ARG 13 2HD ARG 13 5.697 -1.369 4.150 88 HD3 ARG 13 1HD ARG 13 4.026 -1.906 4.104 89 HE ARG 13 HE ARG 13 6.211 -3.430 2.848 90 HH11 ARG 13 1HH1 ARG 13 3.357 -3.392 4.983 91 HH12 ARG 13 2HH1 ARG 13 3.479 -5.048 5.352 92 HH21 ARG 13 1HH2 ARG 13 6.325 -5.634 3.360 93 HH22 ARG 13 2HH2 ARG 13 5.214 -6.353 4.452 94 H CYS 14 H CYS 14 1.333 -4.162 2.110 95 HA CYS 14 HA CYS 14 -0.161 -3.551 -0.275 96 HB2 CYS 14 2HB CYS 14 -0.686 -5.793 1.692 97 HB3 CYS 14 1HB CYS 14 -1.724 -5.407 0.324 98 H ILE 15 H ILE 15 -1.779 -2.199 -0.147 99 HA ILE 15 HA ILE 15 -2.631 -1.380 2.523 100 HB ILE 15 HB ILE 15 -1.264 0.369 1.547 101 HG12 ILE 15 2HG1 ILE 15 -4.197 1.128 1.371 102 HG13 ILE 15 1HG1 ILE 15 -3.220 1.096 2.831 103 HG21 ILE 15 1HG2 ILE 15 -1.377 -0.208 -0.792 104 HG22 ILE 15 2HG2 ILE 15 -1.815 1.488 -0.577 105 HG23 ILE 15 3HG2 ILE 15 -3.068 0.285 -0.866 106 HD11 ILE 15 3HD1 ILE 15 -2.785 2.912 0.472 107 HD12 ILE 15 1HD1 ILE 15 -1.835 2.898 1.956 108 HD13 ILE 15 2HD1 ILE 15 -3.538 3.364 1.998 109 H CYS 16 H CYS 16 -4.749 -1.565 2.905 110 HA CYS 16 HA CYS 16 -6.444 -2.062 0.609 111 HB2 CYS 16 2HB CYS 16 -7.026 -2.574 3.541 112 HB3 CYS 16 1HB CYS 16 -8.091 -2.944 2.190 113 H THR 17 H THR 17 -7.712 -0.619 -0.148 114 HA THR 17 HA THR 17 -8.483 1.592 1.626 115 HB THR 17 HB THR 17 -7.837 1.970 -1.252 116 HG1 THR 17 1HG THR 17 -6.104 1.900 1.001 117 HG21 THR 17 3HG2 THR 17 -9.090 3.744 -0.178 118 HG22 THR 17 1HG2 THR 17 -7.467 4.325 -0.544 119 HG23 THR 17 2HG2 THR 17 -7.888 3.862 1.108 120 H ARG 18 H ARG 18 -10.580 1.784 1.609 121 HA ARG 18 HA ARG 18 -12.788 1.640 1.158 122 HB2 ARG 18 2HB ARG 18 -11.816 1.943 -1.637 123 HB3 ARG 18 1HB ARG 18 -13.495 2.144 -1.137 124 HG2 ARG 18 2HG ARG 18 -12.791 4.010 0.339 125 HG3 ARG 18 1HG ARG 18 -11.155 3.857 -0.301 126 HD2 ARG 18 2HD ARG 18 -12.327 5.644 -1.442 127 HD3 ARG 18 1HD ARG 18 -12.026 4.308 -2.555 128 HE ARG 18 HE ARG 18 -14.560 4.116 -1.282 129 HH11 ARG 18 1HH1 ARG 18 -12.873 5.728 -3.942 130 HH12 ARG 18 2HH1 ARG 18 -14.270 5.976 -4.883 131 HH21 ARG 18 1HH2 ARG 18 -16.496 4.437 -2.583 132 HH22 ARG 18 2HH2 ARG 18 -16.385 5.201 -4.090 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -11.674 -1.527 1.174 2 HA2 GLY 1 2HA GLY 1 -11.891 -3.861 1.361 3 HA3 GLY 1 1HA GLY 1 -13.178 -3.800 0.163 4 H ASP 2 H ASP 2 -10.815 -2.049 -1.209 5 HA ASP 2 HA ASP 2 -9.839 -4.369 -2.698 6 HB2 ASP 2 2HB ASP 2 -11.040 -2.633 -4.002 7 HB3 ASP 2 1HB ASP 2 -9.869 -1.437 -3.461 8 H CYS 3 H CYS 3 -7.746 -4.859 -2.552 9 HA CYS 3 HA CYS 3 -6.204 -3.026 -0.963 10 HB2 CYS 3 2HB CYS 3 -5.615 -5.882 -1.580 11 HB3 CYS 3 1HB CYS 3 -4.697 -4.861 -0.492 12 H ARG 4 H ARG 4 -4.645 -2.014 -1.615 13 HA ARG 4 HA ARG 4 -3.772 -2.290 -4.419 14 HB2 ARG 4 2HB ARG 4 -3.770 0.145 -2.618 15 HB3 ARG 4 1HB ARG 4 -3.269 0.116 -4.299 16 HG2 ARG 4 2HG ARG 4 -5.534 -0.351 -5.002 17 HG3 ARG 4 1HG ARG 4 -6.061 -0.457 -3.322 18 HD2 ARG 4 2HD ARG 4 -6.652 1.712 -4.210 19 HD3 ARG 4 1HD ARG 4 -5.391 1.885 -2.992 20 HE ARG 4 HE ARG 4 -4.478 1.696 -5.716 21 HH11 ARG 4 1HH1 ARG 4 -5.259 3.873 -3.033 22 HH12 ARG 4 2HH1 ARG 4 -4.567 5.256 -3.750 23 HH21 ARG 4 1HH2 ARG 4 -3.506 3.645 -6.709 24 HH22 ARG 4 2HH2 ARG 4 -3.598 5.127 -5.862 25 H CYS 5 H CYS 5 -1.632 -2.751 -4.646 26 HA CYS 5 HA CYS 5 -0.155 -2.655 -2.179 27 HB2 CYS 5 2HB CYS 5 0.449 -4.283 -4.608 28 HB3 CYS 5 1HB CYS 5 1.393 -4.288 -3.132 29 H LEU 6 H LEU 6 1.434 -1.565 -1.875 30 HA LEU 6 HA LEU 6 2.474 0.149 -4.031 31 HB2 LEU 6 2HB LEU 6 1.361 1.353 -2.204 32 HB3 LEU 6 1HB LEU 6 2.402 0.564 -1.039 33 HG LEU 6 HG LEU 6 4.347 1.697 -2.141 34 HD11 LEU 6 1HD1 LEU 6 3.385 2.195 -4.292 35 HD12 LEU 6 2HD1 LEU 6 3.883 3.688 -3.494 36 HD13 LEU 6 3HD1 LEU 6 2.178 3.237 -3.538 37 HD21 LEU 6 3HD2 LEU 6 3.451 2.515 -0.058 38 HD22 LEU 6 1HD2 LEU 6 2.201 3.411 -0.926 39 HD23 LEU 6 2HD2 LEU 6 3.903 3.876 -1.083 40 H CYS 7 H CYS 7 4.433 -0.540 -4.662 41 HA CYS 7 HA CYS 7 6.058 -1.738 -2.590 42 HB2 CYS 7 2HB CYS 7 6.170 -2.245 -5.579 43 HB3 CYS 7 1HB CYS 7 7.338 -2.886 -4.430 44 H ARG 8 H ARG 8 7.838 -0.561 -2.044 45 HA ARG 8 HA ARG 8 8.975 1.219 -4.055 46 HB2 ARG 8 2HB ARG 8 8.346 1.968 -1.200 47 HB3 ARG 8 1HB ARG 8 9.458 2.883 -2.202 48 HG2 ARG 8 2HG ARG 8 7.654 3.333 -3.794 49 HG3 ARG 8 1HG ARG 8 6.531 2.425 -2.779 50 HD2 ARG 8 2HD ARG 8 6.883 4.026 -0.971 51 HD3 ARG 8 1HD ARG 8 8.042 4.909 -1.962 52 HE ARG 8 HE ARG 8 5.817 4.886 -3.475 53 HH11 ARG 8 1HH1 ARG 8 6.462 5.935 -0.155 54 HH12 ARG 8 2HH1 ARG 8 5.206 7.084 -0.125 55 HH21 ARG 8 1HH2 ARG 8 4.071 6.485 -3.420 56 HH22 ARG 8 2HH2 ARG 8 3.817 7.396 -2.010 57 H ARG 9 H ARG 9 10.835 0.496 -4.491 58 HA ARG 9 HA ARG 9 13.000 -0.087 -4.400 59 HB2 ARG 9 2HB ARG 9 12.867 0.906 -1.587 60 HB3 ARG 9 1HB ARG 9 14.358 0.621 -2.473 61 HG2 ARG 9 2HG ARG 9 12.273 2.725 -3.033 62 HG3 ARG 9 1HG ARG 9 13.916 2.977 -2.445 63 HD2 ARG 9 2HD ARG 9 13.117 1.917 -5.161 64 HD3 ARG 9 1HD ARG 9 13.740 3.526 -4.816 65 HE ARG 9 HE ARG 9 15.404 1.248 -4.111 66 HH11 ARG 9 1HH1 ARG 9 14.835 3.959 -6.346 67 HH12 ARG 9 2HH1 ARG 9 16.370 3.853 -7.060 68 HH21 ARG 9 1HH2 ARG 9 17.461 1.093 -5.108 69 HH22 ARG 9 2HH2 ARG 9 17.915 2.171 -6.338 70 H GLY 10 H GLY 10 10.939 -1.914 -3.512 71 HA2 GLY 10 2HA GLY 10 11.568 -4.270 -3.405 72 HA3 GLY 10 1HA GLY 10 12.715 -3.821 -2.146 73 H ASP 11 H ASP 11 10.659 -1.950 -1.017 74 HA ASP 11 HA ASP 11 9.473 -3.960 0.705 75 HB2 ASP 11 2HB ASP 11 10.477 -2.059 1.818 76 HB3 ASP 11 1HB ASP 11 9.480 -0.946 0.880 77 H CYS 12 H CYS 12 7.698 -4.898 -0.041 78 HA CYS 12 HA CYS 12 5.717 -3.195 -1.296 79 HB2 CYS 12 2HB CYS 12 5.763 -6.154 -1.013 80 HB3 CYS 12 1HB CYS 12 4.480 -5.254 -1.765 81 H ARG 13 H ARG 13 4.202 -2.580 -0.491 82 HA ARG 13 HA ARG 13 3.196 -3.649 2.090 83 HB2 ARG 13 2HB ARG 13 4.468 -1.547 2.435 84 HB3 ARG 13 1HB ARG 13 3.371 -0.723 1.342 85 HG2 ARG 13 2HG ARG 13 2.779 -0.211 3.618 86 HG3 ARG 13 1HG ARG 13 1.511 -1.208 2.900 87 HD2 ARG 13 2HD ARG 13 2.417 -3.178 3.994 88 HD3 ARG 13 1HD ARG 13 3.728 -2.228 4.683 89 HE ARG 13 HE ARG 13 0.883 -1.890 5.322 90 HH11 ARG 13 1HH1 ARG 13 4.287 -1.681 6.292 91 HH12 ARG 13 2HH1 ARG 13 3.946 -1.421 7.939 92 HH21 ARG 13 1HH2 ARG 13 0.424 -1.527 7.581 93 HH22 ARG 13 2HH2 ARG 13 1.696 -1.323 8.695 94 H CYS 14 H CYS 14 1.138 -4.315 1.837 95 HA CYS 14 HA CYS 14 -0.348 -3.059 -0.292 96 HB2 CYS 14 2HB CYS 14 -0.870 -5.677 1.111 97 HB3 CYS 14 1HB CYS 14 -1.876 -5.017 -0.183 98 H ILE 15 H ILE 15 -1.742 -1.628 0.121 99 HA ILE 15 HA ILE 15 -2.843 -1.450 2.856 100 HB ILE 15 HB ILE 15 -2.586 0.772 0.789 101 HG12 ILE 15 2HG1 ILE 15 -0.927 0.288 3.288 102 HG13 ILE 15 1HG1 ILE 15 -0.379 -0.015 1.646 103 HG21 ILE 15 1HG2 ILE 15 -3.139 2.260 2.670 104 HG22 ILE 15 2HG2 ILE 15 -3.354 0.855 3.713 105 HG23 ILE 15 3HG2 ILE 15 -4.441 1.113 2.349 106 HD11 ILE 15 3HD1 ILE 15 -1.130 2.666 2.788 107 HD12 ILE 15 1HD1 ILE 15 -0.566 2.366 1.144 108 HD13 ILE 15 2HD1 ILE 15 0.509 2.074 2.514 109 H CYS 16 H CYS 16 -5.106 -1.306 3.060 110 HA CYS 16 HA CYS 16 -6.475 -1.833 0.548 111 HB2 CYS 16 2HB CYS 16 -7.302 -2.777 3.290 112 HB3 CYS 16 1HB CYS 16 -8.075 -3.195 1.765 113 H THR 17 H THR 17 -8.194 -0.799 -0.051 114 HA THR 17 HA THR 17 -9.467 1.088 1.768 115 HB THR 17 HB THR 17 -8.450 1.812 -0.958 116 HG1 THR 17 1HG THR 17 -7.372 2.032 1.606 117 HG21 THR 17 3HG2 THR 17 -10.416 3.084 -0.350 118 HG22 THR 17 1HG2 THR 17 -9.014 4.147 -0.286 119 HG23 THR 17 2HG2 THR 17 -9.714 3.506 1.206 120 H ARG 18 H ARG 18 -11.579 1.127 1.379 121 HA ARG 18 HA ARG 18 -13.660 0.493 0.667 122 HB2 ARG 18 2HB ARG 18 -12.312 0.735 -1.979 123 HB3 ARG 18 1HB ARG 18 -14.052 0.556 -1.764 124 HG2 ARG 18 2HG ARG 18 -14.168 2.663 -0.598 125 HG3 ARG 18 1HG ARG 18 -12.413 2.826 -0.671 126 HD2 ARG 18 2HD ARG 18 -12.517 2.934 -3.093 127 HD3 ARG 18 1HD ARG 18 -14.267 2.735 -3.035 128 HE ARG 18 HE ARG 18 -14.199 4.831 -1.642 129 HH11 ARG 18 1HH1 ARG 18 -11.777 4.207 -4.166 130 HH12 ARG 18 2HH1 ARG 18 -11.567 5.840 -4.557 131 HH21 ARG 18 1HH2 ARG 18 -13.907 7.042 -2.165 132 HH22 ARG 18 2HH2 ARG 18 -12.844 7.539 -3.385 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -11.979 -1.175 -0.326 2 HA2 GLY 1 2HA GLY 1 -12.464 -3.752 0.879 3 HA3 GLY 1 1HA GLY 1 -13.591 -3.433 -0.436 4 H ASP 2 H ASP 2 -10.863 -1.834 -1.431 5 HA ASP 2 HA ASP 2 -9.995 -4.105 -3.023 6 HB2 ASP 2 2HB ASP 2 -9.610 -1.129 -3.409 7 HB3 ASP 2 1HB ASP 2 -9.064 -2.386 -4.500 8 H CYS 3 H CYS 3 -8.005 -4.845 -2.538 9 HA CYS 3 HA CYS 3 -6.354 -3.035 -1.001 10 HB2 CYS 3 2HB CYS 3 -6.032 -5.987 -1.326 11 HB3 CYS 3 1HB CYS 3 -4.990 -4.966 -0.359 12 H ARG 4 H ARG 4 -4.780 -2.200 -1.718 13 HA ARG 4 HA ARG 4 -3.914 -2.820 -4.469 14 HB2 ARG 4 2HB ARG 4 -4.003 -0.144 -3.059 15 HB3 ARG 4 1HB ARG 4 -3.467 -0.410 -4.714 16 HG2 ARG 4 2HG ARG 4 -5.728 -1.206 -5.297 17 HG3 ARG 4 1HG ARG 4 -6.243 -0.913 -3.645 18 HD2 ARG 4 2HD ARG 4 -5.788 1.475 -3.914 19 HD3 ARG 4 1HD ARG 4 -5.247 1.191 -5.568 20 HE ARG 4 HE ARG 4 -7.719 0.131 -5.550 21 HH11 ARG 4 1HH1 ARG 4 -6.467 3.374 -4.807 22 HH12 ARG 4 2HH1 ARG 4 -7.951 4.160 -5.074 23 HH21 ARG 4 1HH2 ARG 4 -9.808 1.295 -5.968 24 HH22 ARG 4 2HH2 ARG 4 -9.820 2.980 -5.748 25 H CYS 5 H CYS 5 -1.811 -3.419 -4.624 26 HA CYS 5 HA CYS 5 -0.238 -2.883 -2.258 27 HB2 CYS 5 2HB CYS 5 0.231 -4.992 -4.327 28 HB3 CYS 5 1HB CYS 5 1.188 -4.752 -2.881 29 H LEU 6 H LEU 6 1.501 -1.855 -2.249 30 HA LEU 6 HA LEU 6 2.557 -0.814 -4.793 31 HB2 LEU 6 2HB LEU 6 2.293 0.667 -2.170 32 HB3 LEU 6 1HB LEU 6 3.245 1.249 -3.515 33 HG LEU 6 HG LEU 6 1.250 2.473 -3.522 34 HD11 LEU 6 1HD1 LEU 6 1.948 1.843 -5.715 35 HD12 LEU 6 2HD1 LEU 6 0.192 1.937 -5.635 36 HD13 LEU 6 3HD1 LEU 6 0.986 0.365 -5.631 37 HD21 LEU 6 3HD2 LEU 6 -0.117 1.075 -2.083 38 HD22 LEU 6 1HD2 LEU 6 -0.302 -0.110 -3.375 39 HD23 LEU 6 2HD2 LEU 6 -1.004 1.497 -3.545 40 H CYS 7 H CYS 7 4.684 -1.052 -5.107 41 HA CYS 7 HA CYS 7 6.158 -1.975 -2.788 42 HB2 CYS 7 2HB CYS 7 6.837 -2.348 -5.715 43 HB3 CYS 7 1HB CYS 7 7.859 -2.882 -4.389 44 H ARG 8 H ARG 8 7.770 -0.771 -1.997 45 HA ARG 8 HA ARG 8 8.673 1.512 -3.577 46 HB2 ARG 8 2HB ARG 8 7.946 1.472 -0.637 47 HB3 ARG 8 1HB ARG 8 8.759 2.810 -1.437 48 HG2 ARG 8 2HG ARG 8 6.829 3.140 -2.889 49 HG3 ARG 8 1HG ARG 8 6.022 1.766 -2.142 50 HD2 ARG 8 2HD ARG 8 6.824 4.322 -0.746 51 HD3 ARG 8 1HD ARG 8 5.200 3.907 -1.285 52 HE ARG 8 HE ARG 8 6.685 2.444 0.801 53 HH11 ARG 8 1HH1 ARG 8 3.603 3.774 -0.399 54 HH12 ARG 8 2HH1 ARG 8 2.695 3.156 0.911 55 HH21 ARG 8 1HH2 ARG 8 5.450 1.689 2.539 56 HH22 ARG 8 2HH2 ARG 8 3.750 1.900 2.603 57 H ARG 9 H ARG 9 10.623 0.904 -4.146 58 HA ARG 9 HA ARG 9 12.844 0.474 -4.089 59 HB2 ARG 9 2HB ARG 9 12.583 1.547 -1.338 60 HB3 ARG 9 1HB ARG 9 14.126 1.352 -2.164 61 HG2 ARG 9 2HG ARG 9 11.877 3.216 -2.945 62 HG3 ARG 9 1HG ARG 9 13.454 3.682 -2.299 63 HD2 ARG 9 2HD ARG 9 14.532 2.773 -4.303 64 HD3 ARG 9 1HD ARG 9 12.951 2.293 -4.919 65 HE ARG 9 HE ARG 9 13.475 5.087 -4.319 66 HH11 ARG 9 1HH1 ARG 9 12.875 2.561 -6.750 67 HH12 ARG 9 2HH1 ARG 9 12.485 3.632 -8.000 68 HH21 ARG 9 1HH2 ARG 9 12.957 6.580 -6.067 69 HH22 ARG 9 2HH2 ARG 9 12.509 5.964 -7.596 70 H GLY 10 H GLY 10 11.134 -1.632 -3.192 71 HA2 GLY 10 2HA GLY 10 12.295 -3.834 -3.076 72 HA3 GLY 10 1HA GLY 10 13.181 -3.156 -1.719 73 H ASP 11 H ASP 11 10.657 -1.826 -0.618 74 HA ASP 11 HA ASP 11 9.710 -4.303 0.476 75 HB2 ASP 11 2HB ASP 11 8.849 -3.042 2.334 76 HB3 ASP 11 1HB ASP 11 10.555 -2.694 2.139 77 H CYS 12 H CYS 12 7.825 -5.097 0.008 78 HA CYS 12 HA CYS 12 6.020 -3.318 -1.392 79 HB2 CYS 12 2HB CYS 12 5.951 -6.299 -1.282 80 HB3 CYS 12 1HB CYS 12 4.875 -5.275 -2.192 81 H ARG 13 H ARG 13 4.341 -2.788 -0.694 82 HA ARG 13 HA ARG 13 3.269 -4.010 1.763 83 HB2 ARG 13 2HB ARG 13 3.856 -1.080 1.375 84 HB3 ARG 13 1HB ARG 13 2.815 -1.685 2.657 85 HG2 ARG 13 2HG ARG 13 4.644 -2.954 3.600 86 HG3 ARG 13 1HG ARG 13 5.687 -2.497 2.255 87 HD2 ARG 13 2HD ARG 13 6.140 -1.198 4.274 88 HD3 ARG 13 1HD ARG 13 5.592 -0.190 2.937 89 HE ARG 13 HE ARG 13 3.340 -0.821 4.383 90 HH11 ARG 13 1HH1 ARG 13 6.423 0.761 5.115 91 HH12 ARG 13 2HH1 ARG 13 5.740 1.910 6.162 92 HH21 ARG 13 1HH2 ARG 13 2.413 0.779 5.849 93 HH22 ARG 13 2HH2 ARG 13 3.431 1.923 6.609 94 H CYS 14 H CYS 14 1.046 -3.811 2.081 95 HA CYS 14 HA CYS 14 -0.292 -2.910 -0.321 96 HB2 CYS 14 2HB CYS 14 -1.132 -5.163 1.505 97 HB3 CYS 14 1HB CYS 14 -2.013 -4.627 0.085 98 H ILE 15 H ILE 15 -1.877 -1.548 -0.163 99 HA ILE 15 HA ILE 15 -2.804 -0.853 2.527 100 HB ILE 15 HB ILE 15 -1.577 1.018 1.455 101 HG12 ILE 15 2HG1 ILE 15 -3.362 2.779 1.569 102 HG13 ILE 15 1HG1 ILE 15 -4.550 1.487 1.687 103 HG21 ILE 15 1HG2 ILE 15 -2.426 2.159 -0.532 104 HG22 ILE 15 2HG2 ILE 15 -3.645 0.901 -0.725 105 HG23 ILE 15 3HG2 ILE 15 -1.936 0.498 -0.881 106 HD11 ILE 15 3HD1 ILE 15 -2.333 2.039 3.645 107 HD12 ILE 15 1HD1 ILE 15 -3.514 0.736 3.771 108 HD13 ILE 15 2HD1 ILE 15 -4.043 2.414 3.864 109 H CYS 16 H CYS 16 -4.981 -1.033 2.885 110 HA CYS 16 HA CYS 16 -6.510 -1.832 0.553 111 HB2 CYS 16 2HB CYS 16 -7.044 -2.428 3.472 112 HB3 CYS 16 1HB CYS 16 -8.106 -2.901 2.150 113 H THR 17 H THR 17 -8.255 -0.786 -0.086 114 HA THR 17 HA THR 17 -9.118 1.501 1.531 115 HB THR 17 HB THR 17 -9.089 1.425 -1.413 116 HG1 THR 17 1HG THR 17 -7.038 2.234 0.409 117 HG21 THR 17 3HG2 THR 17 -10.444 3.151 -0.412 118 HG22 THR 17 1HG2 THR 17 -9.044 3.897 -1.180 119 HG23 THR 17 2HG2 THR 17 -9.087 3.698 0.573 120 H ARG 18 H ARG 18 -11.032 0.990 2.064 121 HA ARG 18 HA ARG 18 -13.269 0.621 2.158 122 HB2 ARG 18 2HB ARG 18 -13.198 0.607 -0.857 123 HB3 ARG 18 1HB ARG 18 -14.610 0.779 0.184 124 HG2 ARG 18 2HG ARG 18 -13.884 2.912 0.952 125 HG3 ARG 18 1HG ARG 18 -12.330 2.732 0.140 126 HD2 ARG 18 2HD ARG 18 -13.557 2.601 -2.016 127 HD3 ARG 18 1HD ARG 18 -15.035 2.975 -1.138 128 HE ARG 18 HE ARG 18 -13.594 5.019 -0.415 129 HH11 ARG 18 1HH1 ARG 18 -13.613 3.526 -3.613 130 HH12 ARG 18 2HH1 ARG 18 -13.439 4.992 -4.465 131 HH21 ARG 18 1HH2 ARG 18 -13.336 7.051 -1.590 132 HH22 ARG 18 2HH2 ARG 18 -13.310 7.017 -3.300 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -11.114 -0.670 1.082 2 HA2 GLY 1 2HA GLY 1 -12.073 -2.734 1.776 3 HA3 GLY 1 1HA GLY 1 -13.284 -2.529 0.522 4 H ASP 2 H ASP 2 -10.735 -1.716 -1.157 5 HA ASP 2 HA ASP 2 -10.223 -4.483 -1.902 6 HB2 ASP 2 2HB ASP 2 -10.312 -1.979 -3.542 7 HB3 ASP 2 1HB ASP 2 -9.472 -3.413 -4.110 8 H CYS 3 H CYS 3 -8.293 -5.238 -1.714 9 HA CYS 3 HA CYS 3 -6.296 -3.410 -0.777 10 HB2 CYS 3 2HB CYS 3 -6.183 -6.397 -0.904 11 HB3 CYS 3 1HB CYS 3 -5.060 -5.348 -0.053 12 H ARG 4 H ARG 4 -4.617 -2.834 -1.648 13 HA ARG 4 HA ARG 4 -4.003 -3.806 -4.339 14 HB2 ARG 4 2HB ARG 4 -3.786 -1.466 -5.106 15 HB3 ARG 4 1HB ARG 4 -5.423 -1.837 -4.597 16 HG2 ARG 4 2HG ARG 4 -4.723 -0.780 -2.345 17 HG3 ARG 4 1HG ARG 4 -3.372 -0.109 -3.254 18 HD2 ARG 4 2HD ARG 4 -5.080 1.538 -3.283 19 HD3 ARG 4 1HD ARG 4 -5.086 0.797 -4.883 20 HE ARG 4 HE ARG 4 -6.907 -0.417 -3.016 21 HH11 ARG 4 1HH1 ARG 4 -6.590 2.055 -5.536 22 HH12 ARG 4 2HH1 ARG 4 -8.265 2.292 -5.729 23 HH21 ARG 4 1HH2 ARG 4 -9.272 -0.036 -3.256 24 HH22 ARG 4 2HH2 ARG 4 -9.789 1.085 -4.420 25 H CYS 5 H CYS 5 -1.807 -3.757 -4.840 26 HA CYS 5 HA CYS 5 -0.233 -3.340 -2.450 27 HB2 CYS 5 2HB CYS 5 0.438 -5.095 -4.766 28 HB3 CYS 5 1HB CYS 5 1.300 -4.991 -3.238 29 H LEU 6 H LEU 6 1.227 -2.066 -2.290 30 HA LEU 6 HA LEU 6 2.341 -0.758 -4.675 31 HB2 LEU 6 2HB LEU 6 1.516 0.576 -2.085 32 HB3 LEU 6 1HB LEU 6 2.621 1.324 -3.210 33 HG LEU 6 HG LEU 6 0.514 2.332 -3.518 34 HD11 LEU 6 1HD1 LEU 6 -0.055 1.869 -5.823 35 HD12 LEU 6 2HD1 LEU 6 0.892 0.389 -5.766 36 HD13 LEU 6 3HD1 LEU 6 1.687 1.953 -5.566 37 HD21 LEU 6 3HD2 LEU 6 -1.547 1.098 -4.092 38 HD22 LEU 6 1HD2 LEU 6 -0.947 0.713 -2.477 39 HD23 LEU 6 2HD2 LEU 6 -0.689 -0.416 -3.809 40 H CYS 7 H CYS 7 4.532 -0.439 -4.655 41 HA CYS 7 HA CYS 7 5.831 -1.489 -2.274 42 HB2 CYS 7 2HB CYS 7 6.750 -1.861 -5.137 43 HB3 CYS 7 1HB CYS 7 7.541 -2.504 -3.704 44 H ARG 8 H ARG 8 7.622 -0.347 -1.549 45 HA ARG 8 HA ARG 8 8.595 1.856 -3.221 46 HB2 ARG 8 2HB ARG 8 8.139 2.039 -0.221 47 HB3 ARG 8 1HB ARG 8 8.878 3.266 -1.221 48 HG2 ARG 8 2HG ARG 8 6.729 4.073 -0.783 49 HG3 ARG 8 1HG ARG 8 6.607 3.402 -2.409 50 HD2 ARG 8 2HD ARG 8 5.572 1.392 -1.528 51 HD3 ARG 8 1HD ARG 8 5.812 1.978 0.119 52 HE ARG 8 HE ARG 8 4.241 3.679 -1.602 53 HH11 ARG 8 1HH1 ARG 8 4.204 1.113 0.830 54 HH12 ARG 8 2HH1 ARG 8 2.597 1.452 1.331 55 HH21 ARG 8 1HH2 ARG 8 2.041 4.086 -0.939 56 HH22 ARG 8 2HH2 ARG 8 1.342 3.160 0.315 57 H ARG 9 H ARG 9 10.771 1.806 -3.367 58 HA ARG 9 HA ARG 9 12.973 1.287 -3.017 59 HB2 ARG 9 2HB ARG 9 12.073 0.740 -0.185 60 HB3 ARG 9 1HB ARG 9 13.744 0.800 -0.701 61 HG2 ARG 9 2HG ARG 9 13.541 3.141 -1.224 62 HG3 ARG 9 1HG ARG 9 11.810 3.094 -0.882 63 HD2 ARG 9 2HD ARG 9 13.950 2.439 1.134 64 HD3 ARG 9 1HD ARG 9 13.186 4.019 0.983 65 HE ARG 9 HE ARG 9 11.133 2.201 1.249 66 HH11 ARG 9 1HH1 ARG 9 13.886 3.163 3.237 67 HH12 ARG 9 2HH1 ARG 9 13.060 2.930 4.714 68 HH21 ARG 9 1HH2 ARG 9 10.019 1.899 3.279 69 HH22 ARG 9 2HH2 ARG 9 10.837 2.217 4.740 70 H GLY 10 H GLY 10 10.783 -0.899 -3.423 71 HA2 GLY 10 2HA GLY 10 11.213 -3.128 -4.128 72 HA3 GLY 10 1HA GLY 10 12.614 -3.162 -3.063 73 H ASP 11 H ASP 11 10.653 -1.744 -1.118 74 HA ASP 11 HA ASP 11 9.821 -4.171 0.230 75 HB2 ASP 11 2HB ASP 11 10.901 -2.576 1.636 76 HB3 ASP 11 1HB ASP 11 9.916 -1.262 1.016 77 H CYS 12 H CYS 12 7.898 -4.971 -0.165 78 HA CYS 12 HA CYS 12 5.903 -3.215 -1.308 79 HB2 CYS 12 2HB CYS 12 5.998 -6.182 -1.182 80 HB3 CYS 12 1HB CYS 12 4.703 -5.247 -1.898 81 H ARG 13 H ARG 13 4.019 -2.924 -0.618 82 HA ARG 13 HA ARG 13 3.112 -4.266 1.824 83 HB2 ARG 13 2HB ARG 13 4.099 -2.169 2.577 84 HB3 ARG 13 1HB ARG 13 3.141 -1.276 1.405 85 HG2 ARG 13 2HG ARG 13 1.099 -1.969 2.550 86 HG3 ARG 13 1HG ARG 13 2.070 -2.844 3.736 87 HD2 ARG 13 2HD ARG 13 3.092 -0.799 4.471 88 HD3 ARG 13 1HD ARG 13 2.267 0.114 3.200 89 HE ARG 13 HE ARG 13 0.431 -1.302 4.772 90 HH11 ARG 13 1HH1 ARG 13 2.488 1.555 4.916 91 HH12 ARG 13 2HH1 ARG 13 1.483 2.413 5.982 92 HH21 ARG 13 1HH2 ARG 13 -0.961 -0.166 6.228 93 HH22 ARG 13 2HH2 ARG 13 -0.541 1.386 6.788 94 H CYS 14 H CYS 14 1.021 -4.864 1.646 95 HA CYS 14 HA CYS 14 -0.364 -3.668 -0.563 96 HB2 CYS 14 2HB CYS 14 -1.059 -6.190 0.964 97 HB3 CYS 14 1HB CYS 14 -1.981 -5.548 -0.391 98 H ILE 15 H ILE 15 -1.592 -2.067 -0.188 99 HA ILE 15 HA ILE 15 -2.620 -1.723 2.523 100 HB ILE 15 HB ILE 15 -1.147 0.092 1.834 101 HG12 ILE 15 2HG1 ILE 15 -2.688 2.064 2.015 102 HG13 ILE 15 1HG1 ILE 15 -4.043 0.960 1.823 103 HG21 ILE 15 1HG2 ILE 15 -2.937 0.486 -0.542 104 HG22 ILE 15 2HG2 ILE 15 -1.283 -0.114 -0.547 105 HG23 ILE 15 3HG2 ILE 15 -1.610 1.548 -0.063 106 HD11 ILE 15 3HD1 ILE 15 -3.693 1.527 4.158 107 HD12 ILE 15 1HD1 ILE 15 -2.042 0.913 4.073 108 HD13 ILE 15 2HD1 ILE 15 -3.399 -0.192 3.878 109 H CYS 16 H CYS 16 -4.766 -1.502 2.849 110 HA CYS 16 HA CYS 16 -6.346 -2.028 0.504 111 HB2 CYS 16 2HB CYS 16 -7.150 -2.323 3.397 112 HB3 CYS 16 1HB CYS 16 -8.027 -2.897 1.977 113 H THR 17 H THR 17 -7.866 -0.792 -0.242 114 HA THR 17 HA THR 17 -8.536 1.613 1.254 115 HB THR 17 HB THR 17 -7.747 1.734 -1.651 116 HG1 THR 17 1HG THR 17 -6.163 1.763 0.658 117 HG21 THR 17 3HG2 THR 17 -9.147 3.557 -0.798 118 HG22 THR 17 1HG2 THR 17 -7.529 4.145 -1.184 119 HG23 THR 17 2HG2 THR 17 -7.979 3.854 0.494 120 H ARG 18 H ARG 18 -10.629 2.031 0.991 121 HA ARG 18 HA ARG 18 -12.795 1.793 0.525 122 HB2 ARG 18 2HB ARG 18 -11.749 1.283 -2.225 123 HB3 ARG 18 1HB ARG 18 -13.449 1.517 -1.843 124 HG2 ARG 18 2HG ARG 18 -12.916 3.776 -1.005 125 HG3 ARG 18 1HG ARG 18 -11.236 3.530 -1.488 126 HD2 ARG 18 2HD ARG 18 -12.452 4.786 -3.188 127 HD3 ARG 18 1HD ARG 18 -11.956 3.209 -3.802 128 HE ARG 18 HE ARG 18 -14.607 3.300 -2.679 129 HH11 ARG 18 1HH1 ARG 18 -12.686 3.613 -5.642 130 HH12 ARG 18 2HH1 ARG 18 -14.004 3.371 -6.691 131 HH21 ARG 18 1HH2 ARG 18 -16.429 2.954 -4.169 132 HH22 ARG 18 2HH2 ARG 18 -16.128 3.004 -5.854 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -11.366 -0.504 0.514 2 HA2 GLY 1 2HA GLY 1 -11.882 -2.634 2.176 3 HA3 GLY 1 1HA GLY 1 -13.352 -2.474 1.224 4 H ASP 2 H ASP 2 -11.132 -1.419 -0.927 5 HA ASP 2 HA ASP 2 -10.715 -4.097 -1.999 6 HB2 ASP 2 2HB ASP 2 -11.930 -2.659 -3.528 7 HB3 ASP 2 1HB ASP 2 -10.766 -1.358 -3.298 8 H CYS 3 H CYS 3 -8.635 -4.747 -2.488 9 HA CYS 3 HA CYS 3 -6.677 -3.002 -1.279 10 HB2 CYS 3 2HB CYS 3 -6.643 -6.003 -1.494 11 HB3 CYS 3 1HB CYS 3 -5.348 -5.030 -0.802 12 H ARG 4 H ARG 4 -4.620 -2.752 -2.166 13 HA ARG 4 HA ARG 4 -4.182 -3.818 -4.855 14 HB2 ARG 4 2HB ARG 4 -5.076 -1.533 -5.097 15 HB3 ARG 4 1HB ARG 4 -3.832 -0.931 -4.017 16 HG2 ARG 4 2HG ARG 4 -2.114 -1.629 -5.644 17 HG3 ARG 4 1HG ARG 4 -3.398 -2.154 -6.734 18 HD2 ARG 4 2HD ARG 4 -4.254 0.092 -6.878 19 HD3 ARG 4 1HD ARG 4 -3.081 0.643 -5.677 20 HE ARG 4 HE ARG 4 -2.207 -0.506 -8.221 21 HH11 ARG 4 1HH1 ARG 4 -2.446 2.321 -6.085 22 HH12 ARG 4 2HH1 ARG 4 -1.205 3.196 -6.831 23 HH21 ARG 4 1HH2 ARG 4 -0.499 0.767 -9.318 24 HH22 ARG 4 2HH2 ARG 4 -0.105 2.311 -8.731 25 H CYS 5 H CYS 5 -2.119 -4.535 -5.077 26 HA CYS 5 HA CYS 5 -0.389 -4.052 -2.819 27 HB2 CYS 5 2HB CYS 5 -0.114 -6.075 -5.024 28 HB3 CYS 5 1HB CYS 5 1.012 -5.885 -3.697 29 H LEU 6 H LEU 6 1.611 -3.218 -2.918 30 HA LEU 6 HA LEU 6 2.706 -2.470 -5.454 31 HB2 LEU 6 2HB LEU 6 2.957 -0.045 -4.791 32 HB3 LEU 6 1HB LEU 6 1.353 -0.551 -5.255 33 HG LEU 6 HG LEU 6 0.798 -0.652 -2.771 34 HD11 LEU 6 1HD1 LEU 6 3.032 -0.737 -1.841 35 HD12 LEU 6 2HD1 LEU 6 2.164 0.675 -1.243 36 HD13 LEU 6 3HD1 LEU 6 3.389 0.859 -2.500 37 HD21 LEU 6 3HD2 LEU 6 1.562 2.006 -3.962 38 HD22 LEU 6 1HD2 LEU 6 0.462 1.762 -2.604 39 HD23 LEU 6 2HD2 LEU 6 0.039 1.147 -4.201 40 H CYS 7 H CYS 7 4.874 -1.512 -5.236 41 HA CYS 7 HA CYS 7 6.026 -2.258 -2.703 42 HB2 CYS 7 2HB CYS 7 7.277 -2.671 -5.439 43 HB3 CYS 7 1HB CYS 7 8.083 -2.983 -3.907 44 H ARG 8 H ARG 8 7.513 -0.763 -1.922 45 HA ARG 8 HA ARG 8 8.260 1.417 -3.641 46 HB2 ARG 8 2HB ARG 8 6.048 2.047 -2.736 47 HB3 ARG 8 1HB ARG 8 6.668 1.851 -1.109 48 HG2 ARG 8 2HG ARG 8 8.161 3.714 -1.401 49 HG3 ARG 8 1HG ARG 8 7.713 3.849 -3.104 50 HD2 ARG 8 2HD ARG 8 5.856 4.222 -0.758 51 HD3 ARG 8 1HD ARG 8 6.570 5.515 -1.719 52 HE ARG 8 HE ARG 8 5.146 3.630 -3.324 53 HH11 ARG 8 1HH1 ARG 8 4.691 6.501 -1.301 54 HH12 ARG 8 2HH1 ARG 8 3.217 6.946 -2.031 55 HH21 ARG 8 1HH2 ARG 8 3.173 4.215 -4.291 56 HH22 ARG 8 2HH2 ARG 8 2.305 5.594 -3.781 57 H ARG 9 H ARG 9 10.190 2.183 -3.118 58 HA ARG 9 HA ARG 9 12.184 2.537 -2.133 59 HB2 ARG 9 2HB ARG 9 10.611 2.104 0.384 60 HB3 ARG 9 1HB ARG 9 12.306 2.560 0.395 61 HG2 ARG 9 2HG ARG 9 10.039 4.186 -0.773 62 HG3 ARG 9 1HG ARG 9 10.880 4.506 0.745 63 HD2 ARG 9 2HD ARG 9 12.050 4.586 -2.035 64 HD3 ARG 9 1HD ARG 9 11.745 5.958 -0.972 65 HE ARG 9 HE ARG 9 13.375 4.767 0.572 66 HH11 ARG 9 1HH1 ARG 9 13.648 4.783 -2.955 67 HH12 ARG 9 2HH1 ARG 9 15.318 4.504 -2.982 68 HH21 ARG 9 1HH2 ARG 9 15.658 4.362 0.552 69 HH22 ARG 9 2HH2 ARG 9 16.499 4.237 -0.924 70 H GLY 10 H GLY 10 11.121 -0.278 -2.645 71 HA2 GLY 10 2HA GLY 10 12.574 -2.149 -2.923 72 HA3 GLY 10 1HA GLY 10 13.513 -1.581 -1.551 73 H ASP 11 H ASP 11 10.330 -1.260 -0.792 74 HA ASP 11 HA ASP 11 10.218 -3.915 0.460 75 HB2 ASP 11 2HB ASP 11 10.665 -2.420 2.241 76 HB3 ASP 11 1HB ASP 11 9.589 -1.192 1.591 77 H CYS 12 H CYS 12 8.276 -4.974 0.332 78 HA CYS 12 HA CYS 12 6.293 -3.613 -1.322 79 HB2 CYS 12 2HB CYS 12 6.678 -6.560 -0.961 80 HB3 CYS 12 1HB CYS 12 5.448 -5.805 -1.943 81 H ARG 13 H ARG 13 4.255 -3.583 -0.857 82 HA ARG 13 HA ARG 13 3.224 -4.998 1.450 83 HB2 ARG 13 2HB ARG 13 2.462 -3.000 2.664 84 HB3 ARG 13 1HB ARG 13 4.211 -3.076 2.564 85 HG2 ARG 13 2HG ARG 13 4.174 -1.428 0.755 86 HG3 ARG 13 1HG ARG 13 2.415 -1.340 0.886 87 HD2 ARG 13 2HD ARG 13 4.376 -0.697 3.079 88 HD3 ARG 13 1HD ARG 13 3.543 0.496 2.083 89 HE ARG 13 HE ARG 13 1.650 -1.184 3.306 90 HH11 ARG 13 1HH1 ARG 13 4.003 1.294 4.262 91 HH12 ARG 13 2HH1 ARG 13 3.050 1.881 5.551 92 HH21 ARG 13 1HH2 ARG 13 0.371 -0.394 5.110 93 HH22 ARG 13 2HH2 ARG 13 0.958 0.906 6.038 94 H CYS 14 H CYS 14 0.927 -4.980 1.551 95 HA CYS 14 HA CYS 14 -0.189 -3.916 -0.889 96 HB2 CYS 14 2HB CYS 14 -1.228 -6.187 0.818 97 HB3 CYS 14 1HB CYS 14 -2.013 -5.580 -0.638 98 H ILE 15 H ILE 15 -1.482 -2.269 -0.743 99 HA ILE 15 HA ILE 15 -2.369 -1.532 1.945 100 HB ILE 15 HB ILE 15 -0.819 0.090 0.910 101 HG12 ILE 15 2HG1 ILE 15 -3.643 1.191 1.039 102 HG13 ILE 15 1HG1 ILE 15 -2.593 0.934 2.423 103 HG21 ILE 15 1HG2 ILE 15 -1.460 1.381 -1.084 104 HG22 ILE 15 2HG2 ILE 15 -2.855 0.324 -1.295 105 HG23 ILE 15 3HG2 ILE 15 -1.226 -0.335 -1.423 106 HD11 ILE 15 3HD1 ILE 15 -2.095 2.856 0.155 107 HD12 ILE 15 1HD1 ILE 15 -1.041 2.615 1.549 108 HD13 ILE 15 2HD1 ILE 15 -2.663 3.273 1.775 109 H CYS 16 H CYS 16 -4.514 -0.922 2.243 110 HA CYS 16 HA CYS 16 -6.183 -1.594 -0.028 111 HB2 CYS 16 2HB CYS 16 -6.872 -2.003 2.889 112 HB3 CYS 16 1HB CYS 16 -7.867 -2.460 1.514 113 H THR 17 H THR 17 -8.194 -0.456 -0.214 114 HA THR 17 HA THR 17 -8.409 1.931 1.441 115 HB THR 17 HB THR 17 -8.556 2.040 -1.549 116 HG1 THR 17 1HG THR 17 -6.432 2.142 0.171 117 HG21 THR 17 3HG2 THR 17 -8.484 4.495 -1.235 118 HG22 THR 17 1HG2 THR 17 -8.434 4.257 0.513 119 HG23 THR 17 2HG2 THR 17 -9.858 3.768 -0.404 120 H ARG 18 H ARG 18 -10.424 2.274 1.930 121 HA ARG 18 HA ARG 18 -12.605 2.025 2.308 122 HB2 ARG 18 2HB ARG 18 -12.783 1.467 -0.651 123 HB3 ARG 18 1HB ARG 18 -14.145 1.737 0.429 124 HG2 ARG 18 2HG ARG 18 -13.331 3.984 0.916 125 HG3 ARG 18 1HG ARG 18 -11.976 3.726 -0.187 126 HD2 ARG 18 2HD ARG 18 -13.521 3.434 -2.031 127 HD3 ARG 18 1HD ARG 18 -14.892 3.617 -0.948 128 HE ARG 18 HE ARG 18 -12.906 5.739 -1.370 129 HH11 ARG 18 1HH1 ARG 18 -16.299 4.726 -1.104 130 HH12 ARG 18 2HH1 ARG 18 -16.933 6.251 -1.495 131 HH21 ARG 18 1HH2 ARG 18 -13.822 7.893 -1.847 132 HH22 ARG 18 2HH2 ARG 18 -15.512 8.061 -1.916 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.209 -0.680 0.227 2 HA2 GLY 1 2HA GLY 1 -13.041 -2.314 0.355 3 HA3 GLY 1 1HA GLY 1 -13.569 -1.710 -1.205 4 H ASP 2 H ASP 2 -10.291 -1.734 -1.438 5 HA ASP 2 HA ASP 2 -10.164 -4.589 -2.085 6 HB2 ASP 2 2HB ASP 2 -10.735 -3.323 -4.165 7 HB3 ASP 2 1HB ASP 2 -9.252 -2.397 -3.963 8 H CYS 3 H CYS 3 -8.068 -5.474 -1.867 9 HA CYS 3 HA CYS 3 -6.322 -3.599 -0.540 10 HB2 CYS 3 2HB CYS 3 -6.039 -6.568 -0.618 11 HB3 CYS 3 1HB CYS 3 -5.095 -5.466 0.367 12 H ARG 4 H ARG 4 -4.798 -2.819 -1.285 13 HA ARG 4 HA ARG 4 -3.983 -3.486 -4.038 14 HB2 ARG 4 2HB ARG 4 -5.206 -1.356 -3.680 15 HB3 ARG 4 1HB ARG 4 -3.971 -0.860 -2.542 16 HG2 ARG 4 2HG ARG 4 -3.627 0.244 -4.636 17 HG3 ARG 4 1HG ARG 4 -2.322 -0.919 -4.381 18 HD2 ARG 4 2HD ARG 4 -3.467 -2.512 -5.824 19 HD3 ARG 4 1HD ARG 4 -4.773 -1.348 -6.052 20 HE ARG 4 HE ARG 4 -2.370 -0.151 -6.754 21 HH11 ARG 4 1HH1 ARG 4 -4.515 -2.718 -7.850 22 HH12 ARG 4 2HH1 ARG 4 -4.111 -2.549 -9.501 23 HH21 ARG 4 1HH2 ARG 4 -1.815 0.098 -9.060 24 HH22 ARG 4 2HH2 ARG 4 -2.568 -0.934 -10.183 25 H CYS 5 H CYS 5 -1.667 -3.532 -4.427 26 HA CYS 5 HA CYS 5 -0.228 -3.266 -1.961 27 HB2 CYS 5 2HB CYS 5 0.526 -4.913 -4.328 28 HB3 CYS 5 1HB CYS 5 1.448 -4.785 -2.843 29 H LEU 6 H LEU 6 1.264 -1.993 -1.713 30 HA LEU 6 HA LEU 6 2.015 -0.252 -3.939 31 HB2 LEU 6 2HB LEU 6 0.677 0.799 -2.112 32 HB3 LEU 6 1HB LEU 6 1.924 0.342 -0.977 33 HG LEU 6 HG LEU 6 3.523 1.812 -2.194 34 HD11 LEU 6 1HD1 LEU 6 1.062 2.628 -3.733 35 HD12 LEU 6 2HD1 LEU 6 2.487 1.812 -4.380 36 HD13 LEU 6 3HD1 LEU 6 2.613 3.460 -3.761 37 HD21 LEU 6 3HD2 LEU 6 1.004 3.146 -1.201 38 HD22 LEU 6 1HD2 LEU 6 2.576 3.920 -1.377 39 HD23 LEU 6 2HD2 LEU 6 2.364 2.621 -0.207 40 H CYS 7 H CYS 7 4.065 -0.662 -4.561 41 HA CYS 7 HA CYS 7 5.839 -1.627 -2.477 42 HB2 CYS 7 2HB CYS 7 6.265 -1.843 -5.470 43 HB3 CYS 7 1HB CYS 7 7.207 -2.618 -4.206 44 H ARG 8 H ARG 8 7.521 -0.434 -1.895 45 HA ARG 8 HA ARG 8 8.391 1.704 -3.631 46 HB2 ARG 8 2HB ARG 8 6.622 2.586 -2.028 47 HB3 ARG 8 1HB ARG 8 7.727 2.182 -0.718 48 HG2 ARG 8 2HG ARG 8 9.353 3.746 -1.570 49 HG3 ARG 8 1HG ARG 8 8.326 4.081 -2.968 50 HD2 ARG 8 2HD ARG 8 6.576 4.908 -1.417 51 HD3 ARG 8 1HD ARG 8 7.700 4.679 -0.078 52 HE ARG 8 HE ARG 8 8.753 6.280 -2.191 53 HH11 ARG 8 1HH1 ARG 8 6.765 6.376 0.717 54 HH12 ARG 8 2HH1 ARG 8 7.037 8.024 1.038 55 HH21 ARG 8 1HH2 ARG 8 9.113 8.573 -1.793 56 HH22 ARG 8 2HH2 ARG 8 8.384 9.310 -0.451 57 H ARG 9 H ARG 9 10.526 1.920 -3.545 58 HA ARG 9 HA ARG 9 12.715 1.655 -3.047 59 HB2 ARG 9 2HB ARG 9 11.796 0.699 -0.319 60 HB3 ARG 9 1HB ARG 9 13.460 1.021 -0.761 61 HG2 ARG 9 2HG ARG 9 11.240 3.051 -0.699 62 HG3 ARG 9 1HG ARG 9 12.452 2.822 0.556 63 HD2 ARG 9 2HD ARG 9 14.211 3.387 -1.036 64 HD3 ARG 9 1HD ARG 9 13.000 3.599 -2.301 65 HE ARG 9 HE ARG 9 12.234 5.216 -0.230 66 HH11 ARG 9 1HH1 ARG 9 15.103 4.983 -2.283 67 HH12 ARG 9 2HH1 ARG 9 15.392 6.660 -2.273 68 HH21 ARG 9 1HH2 ARG 9 12.654 7.469 -0.211 69 HH22 ARG 9 2HH2 ARG 9 13.992 8.111 -1.066 70 H GLY 10 H GLY 10 10.565 -0.757 -3.366 71 HA2 GLY 10 2HA GLY 10 11.309 -2.771 -4.469 72 HA3 GLY 10 1HA GLY 10 12.641 -2.825 -3.318 73 H ASP 11 H ASP 11 10.430 -1.787 -1.338 74 HA ASP 11 HA ASP 11 9.755 -4.500 -0.476 75 HB2 ASP 11 2HB ASP 11 10.942 -3.046 1.136 76 HB3 ASP 11 1HB ASP 11 9.623 -1.884 1.050 77 H CYS 12 H CYS 12 7.729 -5.250 -0.672 78 HA CYS 12 HA CYS 12 5.739 -3.311 -1.485 79 HB2 CYS 12 2HB CYS 12 5.577 -6.274 -1.541 80 HB3 CYS 12 1HB CYS 12 4.355 -5.186 -2.132 81 H ARG 13 H ARG 13 4.174 -2.780 -0.496 82 HA ARG 13 HA ARG 13 3.446 -4.073 2.061 83 HB2 ARG 13 2HB ARG 13 4.639 -1.966 2.494 84 HB3 ARG 13 1HB ARG 13 3.541 -1.110 1.431 85 HG2 ARG 13 2HG ARG 13 2.935 -0.664 3.708 86 HG3 ARG 13 1HG ARG 13 1.688 -1.656 2.965 87 HD2 ARG 13 2HD ARG 13 2.655 -3.651 4.029 88 HD3 ARG 13 1HD ARG 13 3.876 -2.635 4.795 89 HE ARG 13 HE ARG 13 1.041 -2.088 5.269 90 HH11 ARG 13 1HH1 ARG 13 4.142 -3.223 6.555 91 HH12 ARG 13 2HH1 ARG 13 3.664 -3.101 8.176 92 HH21 ARG 13 1HH2 ARG 13 0.406 -1.906 7.473 93 HH22 ARG 13 2HH2 ARG 13 1.498 -2.299 8.726 94 H CYS 14 H CYS 14 1.383 -4.778 1.961 95 HA CYS 14 HA CYS 14 -0.280 -3.560 -0.056 96 HB2 CYS 14 2HB CYS 14 -0.751 -6.134 1.438 97 HB3 CYS 14 1HB CYS 14 -1.722 -5.524 0.097 98 H ILE 15 H ILE 15 -1.912 -2.391 0.266 99 HA ILE 15 HA ILE 15 -2.700 -1.811 3.055 100 HB ILE 15 HB ILE 15 -2.739 0.049 0.650 101 HG12 ILE 15 2HG1 ILE 15 -0.405 -0.431 1.279 102 HG13 ILE 15 1HG1 ILE 15 -0.826 1.239 1.629 103 HG21 ILE 15 1HG2 ILE 15 -3.140 1.839 2.277 104 HG22 ILE 15 2HG2 ILE 15 -3.179 0.642 3.568 105 HG23 ILE 15 3HG2 ILE 15 -4.412 0.615 2.309 106 HD11 ILE 15 3HD1 ILE 15 0.528 0.295 3.394 107 HD12 ILE 15 1HD1 ILE 15 -0.637 -1.012 3.621 108 HD13 ILE 15 2HD1 ILE 15 -1.092 0.653 3.992 109 H CYS 16 H CYS 16 -4.979 -1.772 3.372 110 HA CYS 16 HA CYS 16 -6.456 -2.480 0.998 111 HB2 CYS 16 2HB CYS 16 -7.305 -2.725 3.890 112 HB3 CYS 16 1HB CYS 16 -8.272 -3.222 2.506 113 H THR 17 H THR 17 -7.542 -1.108 -0.081 114 HA THR 17 HA THR 17 -8.167 1.421 1.253 115 HB THR 17 HB THR 17 -7.068 1.184 -1.509 116 HG1 THR 17 1HG THR 17 -5.815 0.954 0.896 117 HG21 THR 17 3HG2 THR 17 -6.417 3.547 -1.061 118 HG22 THR 17 1HG2 THR 17 -7.307 3.457 0.452 119 HG23 THR 17 2HG2 THR 17 -8.152 3.267 -1.099 120 H ARG 18 H ARG 18 -10.116 1.975 0.880 121 HA ARG 18 HA ARG 18 -12.230 2.264 0.138 122 HB2 ARG 18 2HB ARG 18 -10.859 2.057 -2.504 123 HB3 ARG 18 1HB ARG 18 -12.490 2.675 -2.269 124 HG2 ARG 18 2HG ARG 18 -11.603 4.462 -0.853 125 HG3 ARG 18 1HG ARG 18 -9.972 3.865 -1.110 126 HD2 ARG 18 2HD ARG 18 -10.347 5.696 -2.597 127 HD3 ARG 18 1HD ARG 18 -10.309 4.211 -3.551 128 HE ARG 18 HE ARG 18 -12.931 4.906 -2.728 129 HH11 ARG 18 1HH1 ARG 18 -10.496 5.457 -5.218 130 HH12 ARG 18 2HH1 ARG 18 -11.553 6.166 -6.332 131 HH21 ARG 18 1HH2 ARG 18 -14.434 5.832 -4.229 132 HH22 ARG 18 2HH2 ARG 18 -13.898 6.399 -5.738 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -11.672 -1.148 1.086 2 HA2 GLY 1 2HA GLY 1 -12.534 -3.321 1.307 3 HA3 GLY 1 1HA GLY 1 -13.764 -2.928 0.114 4 H ASP 2 H ASP 2 -10.695 -1.952 -0.918 5 HA ASP 2 HA ASP 2 -10.254 -4.449 -2.393 6 HB2 ASP 2 2HB ASP 2 -11.323 -2.928 -3.958 7 HB3 ASP 2 1HB ASP 2 -10.263 -1.615 -3.480 8 H CYS 3 H CYS 3 -8.096 -5.022 -2.499 9 HA CYS 3 HA CYS 3 -6.409 -3.212 -1.013 10 HB2 CYS 3 2HB CYS 3 -5.976 -6.129 -1.554 11 HB3 CYS 3 1HB CYS 3 -4.897 -5.099 -0.638 12 H ARG 4 H ARG 4 -4.738 -2.357 -1.735 13 HA ARG 4 HA ARG 4 -3.831 -2.985 -4.460 14 HB2 ARG 4 2HB ARG 4 -5.047 -0.873 -4.476 15 HB3 ARG 4 1HB ARG 4 -4.087 -0.279 -3.130 16 HG2 ARG 4 2HG ARG 4 -2.080 -0.342 -4.551 17 HG3 ARG 4 1HG ARG 4 -3.070 -0.896 -5.900 18 HD2 ARG 4 2HD ARG 4 -2.648 1.519 -5.991 19 HD3 ARG 4 1HD ARG 4 -4.359 1.145 -5.837 20 HE ARG 4 HE ARG 4 -3.186 1.550 -3.306 21 HH11 ARG 4 1HH1 ARG 4 -4.339 3.333 -6.132 22 HH12 ARG 4 2HH1 ARG 4 -4.676 4.768 -5.284 23 HH21 ARG 4 1HH2 ARG 4 -3.680 3.563 -2.103 24 HH22 ARG 4 2HH2 ARG 4 -4.265 4.899 -2.972 25 H CYS 5 H CYS 5 -1.872 -3.817 -4.306 26 HA CYS 5 HA CYS 5 -0.246 -3.022 -2.079 27 HB2 CYS 5 2HB CYS 5 0.236 -5.215 -4.076 28 HB3 CYS 5 1HB CYS 5 1.183 -4.910 -2.626 29 H LEU 6 H LEU 6 1.436 -1.987 -2.150 30 HA LEU 6 HA LEU 6 2.326 -0.940 -4.767 31 HB2 LEU 6 2HB LEU 6 0.966 0.702 -3.516 32 HB3 LEU 6 1HB LEU 6 2.067 0.571 -2.162 33 HG LEU 6 HG LEU 6 3.868 1.523 -3.594 34 HD11 LEU 6 1HD1 LEU 6 1.630 1.917 -5.569 35 HD12 LEU 6 2HD1 LEU 6 3.027 0.860 -5.771 36 HD13 LEU 6 3HD1 LEU 6 3.246 2.609 -5.694 37 HD21 LEU 6 3HD2 LEU 6 1.367 3.191 -3.352 38 HD22 LEU 6 1HD2 LEU 6 3.005 3.809 -3.578 39 HD23 LEU 6 2HD2 LEU 6 2.583 2.949 -2.095 40 H CYS 7 H CYS 7 4.541 -1.017 -5.047 41 HA CYS 7 HA CYS 7 6.006 -1.835 -2.682 42 HB2 CYS 7 2HB CYS 7 6.769 -2.345 -5.561 43 HB3 CYS 7 1HB CYS 7 7.625 -2.922 -4.137 44 H ARG 8 H ARG 8 7.768 -0.819 -2.044 45 HA ARG 8 HA ARG 8 8.676 1.508 -3.519 46 HB2 ARG 8 2HB ARG 8 6.854 2.315 -2.122 47 HB3 ARG 8 1HB ARG 8 7.522 1.499 -0.730 48 HG2 ARG 8 2HG ARG 8 9.279 3.038 -0.539 49 HG3 ARG 8 1HG ARG 8 8.966 3.726 -2.140 50 HD2 ARG 8 2HD ARG 8 7.045 3.810 0.184 51 HD3 ARG 8 1HD ARG 8 8.130 5.127 -0.252 52 HE ARG 8 HE ARG 8 6.937 4.836 -2.536 53 HH11 ARG 8 1HH1 ARG 8 5.324 4.644 0.622 54 HH12 ARG 8 2HH1 ARG 8 3.885 5.367 0.089 55 HH21 ARG 8 1HH2 ARG 8 4.961 5.818 -3.257 56 HH22 ARG 8 2HH2 ARG 8 3.653 6.025 -2.197 57 H ARG 9 H ARG 9 10.792 1.491 -3.509 58 HA ARG 9 HA ARG 9 12.986 1.266 -2.966 59 HB2 ARG 9 2HB ARG 9 12.053 0.814 -0.139 60 HB3 ARG 9 1HB ARG 9 13.689 1.228 -0.618 61 HG2 ARG 9 2HG ARG 9 11.248 2.980 -0.871 62 HG3 ARG 9 1HG ARG 9 12.530 3.146 0.327 63 HD2 ARG 9 2HD ARG 9 12.887 3.399 -2.653 64 HD3 ARG 9 1HD ARG 9 12.688 4.752 -1.541 65 HE ARG 9 HE ARG 9 14.836 3.054 -0.786 66 HH11 ARG 9 1HH1 ARG 9 13.953 5.616 -3.054 67 HH12 ARG 9 2HH1 ARG 9 15.530 6.245 -3.172 68 HH21 ARG 9 1HH2 ARG 9 16.988 3.896 -0.953 69 HH22 ARG 9 2HH2 ARG 9 17.320 5.233 -1.958 70 H GLY 10 H GLY 10 11.163 -1.082 -3.421 71 HA2 GLY 10 2HA GLY 10 11.862 -3.278 -3.968 72 HA3 GLY 10 1HA GLY 10 13.170 -3.127 -2.806 73 H ASP 11 H ASP 11 10.576 -1.970 -1.237 74 HA ASP 11 HA ASP 11 9.928 -4.581 -0.051 75 HB2 ASP 11 2HB ASP 11 10.979 -3.060 1.550 76 HB3 ASP 11 1HB ASP 11 9.857 -1.780 1.112 77 H CYS 12 H CYS 12 7.756 -5.166 0.047 78 HA CYS 12 HA CYS 12 6.052 -3.280 -1.346 79 HB2 CYS 12 2HB CYS 12 5.656 -6.234 -1.118 80 HB3 CYS 12 1HB CYS 12 4.584 -5.133 -1.942 81 H ARG 13 H ARG 13 4.267 -2.646 -0.689 82 HA ARG 13 HA ARG 13 3.439 -3.260 2.073 83 HB2 ARG 13 2HB ARG 13 4.488 -1.108 2.076 84 HB3 ARG 13 1HB ARG 13 3.637 -0.629 0.620 85 HG2 ARG 13 2HG ARG 13 1.507 -0.731 1.887 86 HG3 ARG 13 1HG ARG 13 2.439 -1.069 3.341 87 HD2 ARG 13 2HD ARG 13 3.558 1.064 3.163 88 HD3 ARG 13 1HD ARG 13 2.794 1.363 1.601 89 HE ARG 13 HE ARG 13 0.987 0.924 3.794 90 HH11 ARG 13 1HH1 ARG 13 2.821 3.325 1.962 91 HH12 ARG 13 2HH1 ARG 13 1.793 4.629 2.322 92 HH21 ARG 13 1HH2 ARG 13 -0.474 2.741 4.279 93 HH22 ARG 13 2HH2 ARG 13 -0.134 4.279 3.628 94 H CYS 14 H CYS 14 1.413 -4.097 2.040 95 HA CYS 14 HA CYS 14 -0.175 -3.375 -0.201 96 HB2 CYS 14 2HB CYS 14 -0.575 -5.544 1.853 97 HB3 CYS 14 1HB CYS 14 -1.803 -5.159 0.653 98 H ILE 15 H ILE 15 -1.821 -1.984 -0.159 99 HA ILE 15 HA ILE 15 -2.653 -0.951 2.465 100 HB ILE 15 HB ILE 15 -2.819 0.482 -0.202 101 HG12 ILE 15 2HG1 ILE 15 -0.660 0.853 1.892 102 HG13 ILE 15 1HG1 ILE 15 -0.433 -0.043 0.391 103 HG21 ILE 15 1HG2 ILE 15 -4.311 1.318 1.515 104 HG22 ILE 15 2HG2 ILE 15 -2.995 2.480 1.276 105 HG23 ILE 15 3HG2 ILE 15 -2.978 1.403 2.665 106 HD11 ILE 15 3HD1 ILE 15 -0.865 1.985 -0.889 107 HD12 ILE 15 1HD1 ILE 15 0.463 2.218 0.247 108 HD13 ILE 15 2HD1 ILE 15 -1.133 2.882 0.606 109 H CYS 16 H CYS 16 -4.773 -1.440 2.885 110 HA CYS 16 HA CYS 16 -6.419 -2.041 0.568 111 HB2 CYS 16 2HB CYS 16 -6.847 -2.895 3.437 112 HB3 CYS 16 1HB CYS 16 -7.881 -3.326 2.081 113 H THR 17 H THR 17 -7.965 -0.719 0.014 114 HA THR 17 HA THR 17 -9.200 0.927 2.026 115 HB THR 17 HB THR 17 -7.317 2.169 1.152 116 HG1 THR 17 1HG THR 17 -9.375 3.208 1.731 117 HG21 THR 17 3HG2 THR 17 -8.703 2.008 -1.523 118 HG22 THR 17 1HG2 THR 17 -7.131 1.329 -1.111 119 HG23 THR 17 2HG2 THR 17 -7.343 3.079 -1.179 120 H ARG 18 H ARG 18 -11.205 1.544 1.477 121 HA ARG 18 HA ARG 18 -13.302 1.414 0.627 122 HB2 ARG 18 2HB ARG 18 -11.884 1.180 -2.018 123 HB3 ARG 18 1HB ARG 18 -13.565 1.648 -1.775 124 HG2 ARG 18 2HG ARG 18 -12.880 3.682 -0.657 125 HG3 ARG 18 1HG ARG 18 -11.187 3.198 -0.769 126 HD2 ARG 18 2HD ARG 18 -11.417 3.202 -3.243 127 HD3 ARG 18 1HD ARG 18 -13.051 3.834 -3.048 128 HE ARG 18 HE ARG 18 -11.369 5.493 -1.631 129 HH11 ARG 18 1HH1 ARG 18 -11.829 4.575 -5.019 130 HH12 ARG 18 2HH1 ARG 18 -11.187 5.995 -5.670 131 HH21 ARG 18 1HH2 ARG 18 -10.460 7.494 -2.503 132 HH22 ARG 18 2HH2 ARG 18 -10.397 7.707 -4.178
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