NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
578725 | 2mn9 | 19883 | 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 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 3.125 0.091 -1.027 3 HA3 GLY 1 HA3 GLY 1 1.899 -0.936 -1.756 4 H LEU 2 H LEU 2 -0.212 0.446 -2.244 5 HA LEU 2 HA LEU 2 0.674 2.486 -4.105 6 HB2 LEU 2 HB2 LEU 2 -2.149 1.575 -3.621 7 HB3 LEU 2 HB3 LEU 2 -1.493 2.361 -5.056 8 HG LEU 2 HG LEU 2 -0.016 0.135 -5.091 9 HD11 LEU 2 HD11 LEU 2 -1.871 -0.404 -3.056 10 HD12 LEU 2 HD12 LEU 2 -0.750 -1.527 -3.823 11 HD13 LEU 2 HD13 LEU 2 -2.385 -1.344 -4.457 12 HD21 LEU 2 HD21 LEU 2 -1.732 1.171 -6.748 13 HD22 LEU 2 HD22 LEU 2 -2.822 -0.058 -6.104 14 HD23 LEU 2 HD23 LEU 2 -1.311 -0.536 -6.881 15 H PHE 3 H PHE 3 -0.456 2.373 -0.936 16 HA PHE 3 HA PHE 3 -2.115 4.575 -0.690 17 HB2 PHE 3 HB2 PHE 3 -0.305 3.086 1.104 18 HB3 PHE 3 HB3 PHE 3 -0.680 4.728 1.614 19 HD1 PHE 3 HD1 PHE 3 -2.801 2.222 -0.133 20 HD2 PHE 3 HD2 PHE 3 -2.142 4.515 3.392 21 HE1 PHE 3 HE1 PHE 3 -4.952 1.443 0.771 22 HE2 PHE 3 HE2 PHE 3 -4.292 3.739 4.302 23 HZ PHE 3 HZ PHE 3 -5.700 2.201 2.992 24 H GLY 4 H GLY 4 1.309 4.435 -1.264 25 HA2 GLY 4 HA2 GLY 4 1.635 7.288 -0.710 26 HA3 GLY 4 HA3 GLY 4 2.920 6.151 -1.091 27 H VAL 5 H VAL 5 0.973 5.241 -3.352 28 HA VAL 5 HA VAL 5 2.094 7.068 -5.325 29 HB VAL 5 HB VAL 5 0.457 4.583 -5.831 30 HG11 VAL 5 HG11 VAL 5 0.820 4.913 -8.014 31 HG12 VAL 5 HG12 VAL 5 1.214 6.572 -7.558 32 HG13 VAL 5 HG13 VAL 5 2.501 5.381 -7.757 33 HG21 VAL 5 HG21 VAL 5 2.394 3.985 -4.500 34 HG22 VAL 5 HG22 VAL 5 2.609 3.430 -6.160 35 HG23 VAL 5 HG23 VAL 5 3.451 4.873 -5.596 36 H LEU 6 H LEU 6 -1.014 6.082 -4.029 37 HA LEU 6 HA LEU 6 -2.606 7.403 -5.981 38 HB2 LEU 6 HB2 LEU 6 -3.071 5.651 -3.914 39 HB3 LEU 6 HB3 LEU 6 -3.795 7.147 -3.328 40 HG LEU 6 HG LEU 6 -4.576 6.566 -6.061 41 HD11 LEU 6 HD11 LEU 6 -6.142 4.689 -5.223 42 HD12 LEU 6 HD12 LEU 6 -4.922 4.454 -3.972 43 HD13 LEU 6 HD13 LEU 6 -4.485 4.285 -5.672 44 HD21 LEU 6 HD21 LEU 6 -6.462 7.553 -5.372 45 HD22 LEU 6 HD22 LEU 6 -5.549 7.956 -3.918 46 HD23 LEU 6 HD23 LEU 6 -6.587 6.530 -3.941 47 H ALA 7 H ALA 7 -1.469 8.296 -2.743 48 HA ALA 7 HA ALA 7 -2.804 10.712 -2.449 49 HB1 ALA 7 HB1 ALA 7 -0.278 9.586 -1.359 50 HB2 ALA 7 HB2 ALA 7 -0.604 11.302 -1.117 51 HB3 ALA 7 HB3 ALA 7 -1.744 10.096 -0.522 52 H LYS 8 H LYS 8 0.161 9.971 -4.198 53 HA LYS 8 HA LYS 8 1.078 12.552 -4.691 54 HB2 LYS 8 HB2 LYS 8 1.440 9.897 -5.922 55 HB3 LYS 8 HB3 LYS 8 1.757 11.258 -6.989 56 HG2 LYS 8 HG2 LYS 8 3.050 11.908 -4.615 57 HG3 LYS 8 HG3 LYS 8 3.357 10.185 -4.844 58 HD2 LYS 8 HD2 LYS 8 3.703 12.115 -7.111 59 HD3 LYS 8 HD3 LYS 8 4.976 11.905 -5.906 60 HE2 LYS 8 HE2 LYS 8 4.808 9.417 -6.382 61 HE3 LYS 8 HE3 LYS 8 3.821 9.851 -7.777 62 HZ1 LYS 8 HZ1 LYS 8 6.132 9.570 -8.398 63 HZ2 LYS 8 HZ2 LYS 8 6.610 10.745 -7.280 64 HZ3 LYS 8 HZ3 LYS 8 5.663 11.181 -8.613 65 H VAL 9 H VAL 9 -1.439 10.689 -6.282 66 HA VAL 9 HA VAL 9 -1.795 12.537 -8.442 67 HB VAL 9 HB VAL 9 -3.711 10.422 -7.451 68 HG11 VAL 9 HG11 VAL 9 -4.689 12.148 -8.929 69 HG12 VAL 9 HG12 VAL 9 -3.495 11.731 -10.160 70 HG13 VAL 9 HG13 VAL 9 -4.692 10.539 -9.651 71 HG21 VAL 9 HG21 VAL 9 -1.472 9.525 -8.012 72 HG22 VAL 9 HG22 VAL 9 -2.740 8.944 -9.091 73 HG23 VAL 9 HG23 VAL 9 -1.636 10.209 -9.630 74 H ALA 10 H ALA 10 -3.119 12.142 -5.238 75 HA ALA 10 HA ALA 10 -5.343 13.905 -5.623 76 HB1 ALA 10 HB1 ALA 10 -5.773 12.470 -3.895 77 HB2 ALA 10 HB2 ALA 10 -4.112 12.509 -3.302 78 HB3 ALA 10 HB3 ALA 10 -5.191 13.870 -2.994 79 H ALA 11 H ALA 11 -2.003 14.326 -5.004 80 HA ALA 11 HA ALA 11 -2.333 16.983 -3.860 81 HB1 ALA 11 HB1 ALA 11 0.135 15.376 -4.505 82 HB2 ALA 11 HB2 ALA 11 0.146 16.981 -3.772 83 HB3 ALA 11 HB3 ALA 11 -0.588 15.625 -2.916 84 H HIS 12 H HIS 12 -2.261 15.629 -6.910 85 HA HIS 12 HA HIS 12 -0.814 17.727 -8.255 86 HB2 HIS 12 HB2 HIS 12 -1.904 15.147 -8.942 87 HB3 HIS 12 HB3 HIS 12 -2.406 16.350 -10.126 88 HD1 HIS 12 HD1 HIS 12 -0.764 16.846 -11.917 89 HD2 HIS 12 HD2 HIS 12 1.034 15.123 -8.592 90 HE1 HIS 12 HE1 HIS 12 1.637 16.475 -12.568 91 HB2 I4G 13 HB2 I4G 13 -0.733 18.588 -10.195 92 HB3 I4G 13 HB3 I4G 13 -1.375 19.999 -11.037 93 HG I4G 13 HG I4G 13 -0.896 20.696 -8.242 94 HD13 I4G 13 HD13 I4G 13 1.529 19.528 -9.721 95 HD11 I4G 13 HD11 I4G 13 1.603 20.466 -8.217 96 HD12 I4G 13 HD12 I4G 13 0.817 18.884 -8.235 97 HD23 I4G 13 HD23 I4G 13 -1.040 22.300 -10.138 98 HD22 I4G 13 HD22 I4G 13 0.435 21.620 -10.842 99 HD21 I4G 13 HD21 I4G 13 0.501 22.468 -9.286 100 HA2 I4G 13 HA2 I4G 13 -4.290 20.451 -8.936 101 HA3 I4G 13 HA3 I4G 13 -3.007 21.383 -9.729 102 H VAL 14 H VAL 14 -4.161 22.302 -11.232 103 HA VAL 14 HA VAL 14 -5.021 20.582 -13.432 104 HB VAL 14 HB VAL 14 -6.786 22.834 -12.481 105 HG11 VAL 14 HG11 VAL 14 -6.737 21.884 -14.914 106 HG12 VAL 14 HG12 VAL 14 -7.644 20.550 -14.200 107 HG13 VAL 14 HG13 VAL 14 -8.277 22.194 -14.114 108 HG21 VAL 14 HG21 VAL 14 -7.103 19.878 -11.965 109 HG22 VAL 14 HG22 VAL 14 -6.726 21.106 -10.756 110 HG23 VAL 14 HG23 VAL 14 -8.288 21.125 -11.576 111 H GLY 15 H GLY 15 -2.723 21.808 -13.642 112 HA2 GLY 15 HA2 GLY 15 -3.004 24.495 -14.695 113 HA3 GLY 15 HA3 GLY 15 -1.515 23.569 -14.577 114 H ALA 16 H ALA 16 -1.439 21.623 -16.102 115 HA ALA 16 HA ALA 16 -1.569 22.542 -18.744 116 HB1 ALA 16 HB1 ALA 16 -0.639 20.538 -19.350 117 HB2 ALA 16 HB2 ALA 16 -0.224 20.577 -17.636 118 HB3 ALA 16 HB3 ALA 16 -1.595 19.616 -18.190 119 H ILE 17 H ILE 17 -3.791 20.543 -16.868 120 HA ILE 17 HA ILE 17 -5.484 19.734 -18.942 121 HB ILE 17 HB ILE 17 -6.294 20.322 -16.093 122 HG12 ILE 17 HG12 ILE 17 -5.213 17.776 -17.321 123 HG13 ILE 17 HG13 ILE 17 -4.360 18.811 -16.181 124 HG21 ILE 17 HG21 ILE 17 -7.642 18.100 -17.238 125 HG22 ILE 17 HG22 ILE 17 -8.316 19.632 -16.684 126 HG23 ILE 17 HG23 ILE 17 -7.772 19.460 -18.353 127 HD11 ILE 17 HD11 ILE 17 -6.507 16.844 -15.722 128 HD12 ILE 17 HD12 ILE 17 -5.127 17.284 -14.715 129 HD13 ILE 17 HD13 ILE 17 -6.558 18.314 -14.749 130 H ALA 18 H ALA 18 -5.497 22.656 -16.953 131 HA ALA 18 HA ALA 18 -7.937 23.721 -17.830 132 HB1 ALA 18 HB1 ALA 18 -5.510 24.799 -16.517 133 HB2 ALA 18 HB2 ALA 18 -6.606 25.957 -17.272 134 HB3 ALA 18 HB3 ALA 18 -7.200 24.871 -16.016 135 H GLU 19 H GLU 19 -4.666 23.996 -19.142 136 HA GLU 19 HA GLU 19 -5.297 25.906 -21.138 137 HB2 GLU 19 HB2 GLU 19 -2.983 24.876 -20.176 138 HB3 GLU 19 HB3 GLU 19 -3.110 23.999 -21.694 139 HG2 GLU 19 HG2 GLU 19 -2.582 25.791 -22.906 140 HG3 GLU 19 HG3 GLU 19 -3.635 26.850 -21.969 141 H HIS 20 H HIS 20 -5.813 22.521 -20.882 142 HA HIS 20 HA HIS 20 -5.895 21.872 -23.641 143 HB2 HIS 20 HB2 HIS 20 -6.227 20.504 -21.188 144 HB3 HIS 20 HB3 HIS 20 -7.697 20.230 -22.119 145 HD1 HIS 20 HD1 HIS 20 -6.924 19.649 -24.840 146 HD2 HIS 20 HD2 HIS 20 -4.473 18.526 -21.680 147 HE1 HIS 20 HE1 HIS 20 -5.469 17.806 -25.740 148 H PHE 21 H PHE 21 -8.189 23.281 -21.430 149 HA PHE 21 HA PHE 21 -10.420 22.945 -23.248 150 HB2 PHE 21 HB2 PHE 21 -10.109 24.251 -20.550 151 HB3 PHE 21 HB3 PHE 21 -11.589 24.405 -21.491 152 HD1 PHE 21 HD2 PHE 21 -9.460 22.127 -19.581 153 HD2 PHE 21 HD1 PHE 21 -13.068 22.529 -21.803 154 HE1 PHE 21 HE2 PHE 21 -10.251 19.979 -18.680 155 HE2 PHE 21 HE1 PHE 21 -13.866 20.382 -20.904 156 HZ PHE 21 HZ PHE 21 -12.456 19.103 -19.341 157 HN1 NH2 22 HN1 NH2 22 -7.826 25.307 -22.525 158 HN2 NH2 22 HN2 NH2 22 -8.420 26.654 -23.545 Start of MODEL 2 1 H1 GLY 1 H GLY 1 6.239 1.690 -3.790 2 HA2 GLY 1 HA2 GLY 1 4.567 0.162 -2.398 3 HA3 GLY 1 HA3 GLY 1 4.877 1.434 -1.225 4 H LEU 2 H LEU 2 2.325 0.956 -2.118 5 HA LEU 2 HA LEU 2 1.699 2.816 -4.244 6 HB2 LEU 2 HB2 LEU 2 -0.247 1.436 -2.415 7 HB3 LEU 2 HB3 LEU 2 -0.547 2.092 -4.023 8 HG LEU 2 HG LEU 2 1.289 0.236 -4.642 9 HD11 LEU 2 HD11 LEU 2 1.619 -1.322 -3.101 10 HD12 LEU 2 HD12 LEU 2 -0.118 -1.561 -2.908 11 HD13 LEU 2 HD13 LEU 2 0.714 -0.332 -1.956 12 HD21 LEU 2 HD21 LEU 2 -0.628 -1.245 -5.197 13 HD22 LEU 2 HD22 LEU 2 -0.846 0.425 -5.721 14 HD23 LEU 2 HD23 LEU 2 -1.677 -0.164 -4.280 15 H PHE 3 H PHE 3 2.214 2.998 -0.923 16 HA PHE 3 HA PHE 3 0.341 4.821 -0.008 17 HB2 PHE 3 HB2 PHE 3 3.088 4.053 0.755 18 HB3 PHE 3 HB3 PHE 3 2.574 5.644 1.307 19 HD1 PHE 3 HD2 PHE 3 0.623 2.501 0.920 20 HD2 PHE 3 HD1 PHE 3 2.198 5.429 3.577 21 HE1 PHE 3 HE2 PHE 3 -0.593 1.456 2.786 22 HE2 PHE 3 HE1 PHE 3 0.986 4.388 5.448 23 HZ PHE 3 HZ PHE 3 -0.413 2.400 5.054 24 H GLY 4 H GLY 4 3.026 5.295 -2.160 25 HA2 GLY 4 HA2 GLY 4 2.819 8.206 -1.963 26 HA3 GLY 4 HA3 GLY 4 4.031 7.311 -2.868 27 H VAL 5 H VAL 5 1.573 5.663 -3.856 28 HA VAL 5 HA VAL 5 1.145 7.338 -6.202 29 HB VAL 5 HB VAL 5 0.182 4.513 -5.752 30 HG11 VAL 5 HG11 VAL 5 -0.981 5.584 -7.547 31 HG12 VAL 5 HG12 VAL 5 0.526 6.207 -8.221 32 HG13 VAL 5 HG13 VAL 5 0.196 4.474 -8.247 33 HG21 VAL 5 HG21 VAL 5 2.422 4.119 -5.626 34 HG22 VAL 5 HG22 VAL 5 2.249 4.150 -7.381 35 HG23 VAL 5 HG23 VAL 5 2.843 5.575 -6.529 36 H LEU 6 H LEU 6 -0.818 5.522 -3.851 37 HA LEU 6 HA LEU 6 -3.326 6.348 -4.768 38 HB2 LEU 6 HB2 LEU 6 -2.610 4.573 -2.986 39 HB3 LEU 6 HB3 LEU 6 -2.819 5.911 -1.858 40 HG LEU 6 HG LEU 6 -5.161 5.902 -3.353 41 HD11 LEU 6 HD11 LEU 6 -4.313 3.609 -4.125 42 HD12 LEU 6 HD12 LEU 6 -5.959 3.718 -3.502 43 HD13 LEU 6 HD13 LEU 6 -4.671 3.076 -2.483 44 HD21 LEU 6 HD21 LEU 6 -4.330 5.104 -0.614 45 HD22 LEU 6 HD22 LEU 6 -5.963 4.696 -1.140 46 HD23 LEU 6 HD23 LEU 6 -5.432 6.378 -1.138 47 H ALA 7 H ALA 7 -1.116 7.825 -2.443 48 HA ALA 7 HA ALA 7 -2.877 9.893 -1.621 49 HB1 ALA 7 HB1 ALA 7 -1.233 9.747 -0.083 50 HB2 ALA 7 HB2 ALA 7 -0.022 9.249 -1.265 51 HB3 ALA 7 HB3 ALA 7 -0.457 10.951 -1.112 52 H LYS 8 H LYS 8 -0.539 9.581 -4.222 53 HA LYS 8 HA LYS 8 -0.324 12.262 -4.975 54 HB2 LYS 8 HB2 LYS 8 0.172 9.646 -6.241 55 HB3 LYS 8 HB3 LYS 8 -0.123 10.968 -7.362 56 HG2 LYS 8 HG2 LYS 8 1.710 11.807 -5.323 57 HG3 LYS 8 HG3 LYS 8 2.273 10.312 -6.074 58 HD2 LYS 8 HD2 LYS 8 2.349 11.278 -8.206 59 HD3 LYS 8 HD3 LYS 8 1.323 12.632 -7.726 60 HE2 LYS 8 HE2 LYS 8 3.088 13.548 -6.367 61 HE3 LYS 8 HE3 LYS 8 4.101 12.136 -6.663 62 HZ1 LYS 8 HZ1 LYS 8 4.845 13.854 -8.087 63 HZ2 LYS 8 HZ2 LYS 8 3.278 14.205 -8.620 64 HZ3 LYS 8 HZ3 LYS 8 4.017 12.751 -9.067 65 H VAL 9 H VAL 9 -2.882 9.967 -5.446 66 HA VAL 9 HA VAL 9 -4.201 11.251 -7.598 67 HB VAL 9 HB VAL 9 -5.434 9.518 -5.453 68 HG11 VAL 9 HG11 VAL 9 -6.346 10.066 -8.275 69 HG12 VAL 9 HG12 VAL 9 -7.168 9.070 -7.072 70 HG13 VAL 9 HG13 VAL 9 -7.029 10.811 -6.830 71 HG21 VAL 9 HG21 VAL 9 -4.306 8.692 -8.126 72 HG22 VAL 9 HG22 VAL 9 -3.502 8.450 -6.575 73 HG23 VAL 9 HG23 VAL 9 -5.031 7.637 -6.912 74 H ALA 10 H ALA 10 -4.200 11.746 -4.144 75 HA ALA 10 HA ALA 10 -6.494 13.515 -4.212 76 HB1 ALA 10 HB1 ALA 10 -6.427 13.514 -1.910 77 HB2 ALA 10 HB2 ALA 10 -5.734 11.935 -2.283 78 HB3 ALA 10 HB3 ALA 10 -4.679 13.282 -1.853 79 H ALA 11 H ALA 11 -3.098 13.747 -4.583 80 HA ALA 11 HA ALA 11 -3.001 16.572 -3.887 81 HB1 ALA 11 HB1 ALA 11 -0.965 14.507 -4.593 82 HB2 ALA 11 HB2 ALA 11 -0.563 16.218 -4.751 83 HB3 ALA 11 HB3 ALA 11 -1.052 15.568 -3.186 84 H HIS 12 H HIS 12 -3.827 14.744 -6.553 85 HA HIS 12 HA HIS 12 -2.694 16.368 -8.618 86 HB2 HIS 12 HB2 HIS 12 -4.263 13.957 -8.445 87 HB3 HIS 12 HB3 HIS 12 -4.967 15.047 -9.636 88 HD1 HIS 12 HD1 HIS 12 -3.945 14.976 -11.894 89 HD2 HIS 12 HD2 HIS 12 -1.395 13.463 -8.983 90 HE1 HIS 12 HE1 HIS 12 -1.949 14.093 -13.142 91 HB2 I4G 13 HB2 I4G 13 -3.118 16.913 -10.624 92 HB3 I4G 13 HB3 I4G 13 -3.804 18.282 -11.500 93 HG I4G 13 HG I4G 13 -2.376 19.264 -9.146 94 HD13 I4G 13 HD13 I4G 13 -0.723 17.496 -11.037 95 HD11 I4G 13 HD11 I4G 13 -0.052 18.601 -9.823 96 HD12 I4G 13 HD12 I4G 13 -0.992 17.195 -9.315 97 HD23 I4G 13 HD23 I4G 13 -2.921 20.596 -11.175 98 HD22 I4G 13 HD22 I4G 13 -1.848 19.577 -12.148 99 HD21 I4G 13 HD21 I4G 13 -1.179 20.603 -10.866 100 HA2 I4G 13 HA2 I4G 13 -6.164 19.284 -8.989 101 HA3 I4G 13 HA3 I4G 13 -4.754 20.179 -9.587 102 H VAL 14 H VAL 14 -5.134 21.172 -11.332 103 HA VAL 14 HA VAL 14 -6.480 19.800 -13.533 104 HB VAL 14 HB VAL 14 -7.280 22.605 -12.770 105 HG11 VAL 14 HG11 VAL 14 -8.111 20.638 -14.856 106 HG12 VAL 14 HG12 VAL 14 -9.277 21.820 -14.257 107 HG13 VAL 14 HG13 VAL 14 -7.775 22.362 -15.007 108 HG21 VAL 14 HG21 VAL 14 -9.391 21.627 -11.954 109 HG22 VAL 14 HG22 VAL 14 -8.706 20.016 -12.162 110 HG23 VAL 14 HG23 VAL 14 -8.002 21.128 -10.989 111 H GLY 15 H GLY 15 -3.878 20.034 -13.624 112 HA2 GLY 15 HA2 GLY 15 -3.041 22.561 -14.771 113 HA3 GLY 15 HA3 GLY 15 -2.038 21.139 -14.528 114 H ALA 16 H ALA 16 -3.446 19.221 -15.914 115 HA ALA 16 HA ALA 16 -2.549 19.510 -18.507 116 HB1 ALA 16 HB1 ALA 16 -3.913 17.553 -17.042 117 HB2 ALA 16 HB2 ALA 16 -4.891 17.845 -18.481 118 HB3 ALA 16 HB3 ALA 16 -3.195 17.390 -18.645 119 H ILE 17 H ILE 17 -5.861 20.014 -17.298 120 HA ILE 17 HA ILE 17 -7.016 20.752 -19.737 121 HB ILE 17 HB ILE 17 -7.814 21.749 -17.001 122 HG12 ILE 17 HG12 ILE 17 -8.671 19.256 -18.488 123 HG13 ILE 17 HG13 ILE 17 -7.656 19.299 -17.050 124 HG21 ILE 17 HG21 ILE 17 -9.459 22.815 -18.037 125 HG22 ILE 17 HG22 ILE 17 -8.823 22.288 -19.594 126 HG23 ILE 17 HG23 ILE 17 -10.009 21.297 -18.744 127 HD11 ILE 17 HD11 ILE 17 -10.492 19.224 -17.243 128 HD12 ILE 17 HD12 ILE 17 -9.472 19.163 -15.805 129 HD13 ILE 17 HD13 ILE 17 -10.011 20.718 -16.438 130 H ALA 18 H ALA 18 -5.413 22.698 -17.255 131 HA ALA 18 HA ALA 18 -5.965 25.222 -18.386 132 HB1 ALA 18 HB1 ALA 18 -3.825 25.850 -17.046 133 HB2 ALA 18 HB2 ALA 18 -5.280 25.344 -16.186 134 HB3 ALA 18 HB3 ALA 18 -3.955 24.205 -16.424 135 H GLU 19 H GLU 19 -3.605 22.783 -19.122 136 HA GLU 19 HA GLU 19 -1.836 24.492 -20.587 137 HB2 GLU 19 HB2 GLU 19 -1.632 21.968 -19.561 138 HB3 GLU 19 HB3 GLU 19 -1.843 21.631 -21.274 139 HG2 GLU 19 HG2 GLU 19 0.387 21.841 -21.316 140 HG3 GLU 19 HG3 GLU 19 0.017 23.562 -21.413 141 H HIS 20 H HIS 20 -4.796 22.890 -21.268 142 HA HIS 20 HA HIS 20 -4.460 22.768 -24.118 143 HB2 HIS 20 HB2 HIS 20 -6.468 21.967 -22.169 144 HB3 HIS 20 HB3 HIS 20 -7.193 22.681 -23.607 145 HD1 HIS 20 HD1 HIS 20 -6.313 21.543 -25.943 146 HD2 HIS 20 HD2 HIS 20 -5.833 19.348 -22.449 147 HE1 HIS 20 HE1 HIS 20 -5.966 19.165 -26.685 148 H PHE 21 H PHE 21 -5.798 25.039 -21.815 149 HA PHE 21 HA PHE 21 -6.816 26.739 -23.959 150 HB2 PHE 21 HB2 PHE 21 -7.116 26.729 -20.972 151 HB3 PHE 21 HB3 PHE 21 -7.493 28.179 -21.896 152 HD1 PHE 21 HD1 PHE 21 -8.352 24.606 -21.485 153 HD2 PHE 21 HD2 PHE 21 -9.524 28.386 -23.051 154 HE1 PHE 21 HE1 PHE 21 -10.590 23.707 -21.971 155 HE2 PHE 21 HE2 PHE 21 -11.764 27.494 -23.538 156 HZ PHE 21 HZ PHE 21 -12.300 25.152 -22.997 157 HN1 NH2 22 HN1 NH2 22 -3.845 26.159 -22.281 158 HN2 NH2 22 HN2 NH2 22 -3.075 27.764 -22.466 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.927 -0.419 -1.803 2 HA2 GLY 1 HA2 GLY 1 3.742 0.161 -4.330 3 HA3 GLY 1 HA3 GLY 1 2.188 -0.582 -3.983 4 H LEU 2 H LEU 2 0.339 0.815 -3.692 5 HA LEU 2 HA LEU 2 0.487 3.121 -5.460 6 HB2 LEU 2 HB2 LEU 2 -1.962 2.019 -4.110 7 HB3 LEU 2 HB3 LEU 2 -1.881 3.041 -5.544 8 HG LEU 2 HG LEU 2 -0.570 0.939 -6.503 9 HD11 LEU 2 HD11 LEU 2 -1.464 -0.008 -4.006 10 HD12 LEU 2 HD12 LEU 2 -0.699 -0.920 -5.306 11 HD13 LEU 2 HD13 LEU 2 -2.456 -0.790 -5.236 12 HD21 LEU 2 HD21 LEU 2 -2.944 0.058 -7.136 13 HD22 LEU 2 HD22 LEU 2 -2.402 1.636 -7.710 14 HD23 LEU 2 HD23 LEU 2 -3.491 1.527 -6.327 15 H PHE 3 H PHE 3 0.621 2.491 -2.156 16 HA PHE 3 HA PHE 3 -0.797 4.556 -0.977 17 HB2 PHE 3 HB2 PHE 3 1.532 2.902 -0.235 18 HB3 PHE 3 HB3 PHE 3 1.396 4.433 0.625 19 HD1 PHE 3 HD2 PHE 3 -1.257 2.117 -0.573 20 HD2 PHE 3 HD1 PHE 3 0.702 3.893 2.762 21 HE1 PHE 3 HE2 PHE 3 -2.924 1.117 0.934 22 HE2 PHE 3 HE1 PHE 3 -0.962 2.895 4.275 23 HZ PHE 3 HZ PHE 3 -2.779 1.506 3.361 24 H GLY 4 H GLY 4 2.162 4.657 -2.795 25 HA2 GLY 4 HA2 GLY 4 2.709 7.409 -1.970 26 HA3 GLY 4 HA3 GLY 4 3.744 6.400 -2.970 27 H VAL 5 H VAL 5 1.081 5.747 -4.458 28 HA VAL 5 HA VAL 5 1.422 7.868 -6.418 29 HB VAL 5 HB VAL 5 -0.389 5.460 -6.602 30 HG11 VAL 5 HG11 VAL 5 0.181 7.712 -8.323 31 HG12 VAL 5 HG12 VAL 5 0.550 6.180 -9.117 32 HG13 VAL 5 HG13 VAL 5 -1.063 6.471 -8.466 33 HG21 VAL 5 HG21 VAL 5 2.504 5.772 -7.387 34 HG22 VAL 5 HG22 VAL 5 1.819 4.620 -6.239 35 HG23 VAL 5 HG23 VAL 5 1.465 4.467 -7.960 36 H LEU 6 H LEU 6 -1.095 6.548 -4.320 37 HA LEU 6 HA LEU 6 -3.213 8.152 -5.266 38 HB2 LEU 6 HB2 LEU 6 -2.928 6.111 -3.441 39 HB3 LEU 6 HB3 LEU 6 -3.344 7.494 -2.430 40 HG LEU 6 HG LEU 6 -5.196 7.613 -4.477 41 HD11 LEU 6 HD11 LEU 6 -4.274 5.246 -5.001 42 HD12 LEU 6 HD12 LEU 6 -6.017 5.510 -4.956 43 HD13 LEU 6 HD13 LEU 6 -5.202 4.763 -3.581 44 HD21 LEU 6 HD21 LEU 6 -5.344 7.854 -1.909 45 HD22 LEU 6 HD22 LEU 6 -5.723 6.131 -1.928 46 HD23 LEU 6 HD23 LEU 6 -6.756 7.272 -2.792 47 H ALA 7 H ALA 7 -0.729 8.672 -2.840 48 HA ALA 7 HA ALA 7 -1.825 10.972 -1.636 49 HB1 ALA 7 HB1 ALA 7 -0.055 10.750 -0.317 50 HB2 ALA 7 HB2 ALA 7 0.499 9.429 -1.347 51 HB3 ALA 7 HB3 ALA 7 1.041 11.078 -1.660 52 H LYS 8 H LYS 8 -0.173 10.477 -4.637 53 HA LYS 8 HA LYS 8 0.545 13.239 -5.016 54 HB2 LYS 8 HB2 LYS 8 0.828 10.714 -6.529 55 HB3 LYS 8 HB3 LYS 8 0.710 12.175 -7.501 56 HG2 LYS 8 HG2 LYS 8 2.547 13.073 -5.897 57 HG3 LYS 8 HG3 LYS 8 2.818 11.363 -5.551 58 HD2 LYS 8 HD2 LYS 8 2.692 12.351 -8.377 59 HD3 LYS 8 HD3 LYS 8 4.180 12.493 -7.439 60 HE2 LYS 8 HE2 LYS 8 3.024 9.855 -7.195 61 HE3 LYS 8 HE3 LYS 8 3.303 10.277 -8.883 62 HZ1 LYS 8 HZ1 LYS 8 5.577 11.090 -7.655 63 HZ2 LYS 8 HZ2 LYS 8 5.386 9.634 -8.495 64 HZ3 LYS 8 HZ3 LYS 8 5.199 9.671 -6.814 65 H VAL 9 H VAL 9 -2.094 11.122 -5.938 66 HA VAL 9 HA VAL 9 -3.275 12.887 -7.833 67 HB VAL 9 HB VAL 9 -4.619 10.691 -6.252 68 HG11 VAL 9 HG11 VAL 9 -5.364 11.915 -8.906 69 HG12 VAL 9 HG12 VAL 9 -6.249 10.661 -8.034 70 HG13 VAL 9 HG13 VAL 9 -6.139 12.291 -7.367 71 HG21 VAL 9 HG21 VAL 9 -4.112 9.219 -8.095 72 HG22 VAL 9 HG22 VAL 9 -3.327 10.532 -8.974 73 HG23 VAL 9 HG23 VAL 9 -2.613 9.918 -7.483 74 H ALA 10 H ALA 10 -3.486 12.525 -4.368 75 HA ALA 10 HA ALA 10 -5.820 14.188 -4.092 76 HB1 ALA 10 HB1 ALA 10 -4.941 14.127 -1.607 77 HB2 ALA 10 HB2 ALA 10 -5.728 12.728 -2.337 78 HB3 ALA 10 HB3 ALA 10 -3.969 12.794 -2.230 79 H ALA 11 H ALA 11 -2.450 14.697 -4.409 80 HA ALA 11 HA ALA 11 -2.631 17.404 -3.293 81 HB1 ALA 11 HB1 ALA 11 -0.294 17.424 -3.140 82 HB2 ALA 11 HB2 ALA 11 -0.756 15.789 -2.668 83 HB3 ALA 11 HB3 ALA 11 -0.119 16.093 -4.284 84 H HIS 12 H HIS 12 -2.920 15.817 -6.215 85 HA HIS 12 HA HIS 12 -1.643 17.741 -7.913 86 HB2 HIS 12 HB2 HIS 12 -2.962 15.198 -8.221 87 HB3 HIS 12 HB3 HIS 12 -3.584 16.345 -9.404 88 HD1 HIS 12 HD1 HIS 12 -2.228 16.607 -11.463 89 HD2 HIS 12 HD2 HIS 12 -0.009 15.019 -8.330 90 HE1 HIS 12 HE1 HIS 12 0.016 16.042 -12.447 91 HB2 I4G 13 HB2 I4G 13 -1.814 18.461 -9.902 92 HB3 I4G 13 HB3 I4G 13 -2.500 19.850 -10.746 93 HG I4G 13 HG I4G 13 -1.487 20.584 -8.063 94 HD13 I4G 13 HD13 I4G 13 0.529 19.472 -10.095 95 HD11 I4G 13 HD11 I4G 13 0.948 20.387 -8.635 96 HD12 I4G 13 HD12 I4G 13 0.196 18.795 -8.495 97 HD23 I4G 13 HD23 I4G 13 -2.092 22.216 -9.841 98 HD22 I4G 13 HD22 I4G 13 -0.819 21.566 -10.887 99 HD21 I4G 13 HD21 I4G 13 -0.394 22.391 -9.376 100 HA2 I4G 13 HA2 I4G 13 -5.130 20.540 -8.348 101 HA3 I4G 13 HA3 I4G 13 -3.840 21.447 -9.159 102 H VAL 14 H VAL 14 -4.443 22.253 -10.936 103 HA VAL 14 HA VAL 14 -5.905 20.616 -12.865 104 HB VAL 14 HB VAL 14 -6.797 23.434 -12.275 105 HG11 VAL 14 HG11 VAL 14 -7.434 22.901 -14.448 106 HG12 VAL 14 HG12 VAL 14 -7.770 21.217 -14.041 107 HG13 VAL 14 HG13 VAL 14 -8.862 22.492 -13.497 108 HG21 VAL 14 HG21 VAL 14 -8.782 22.386 -11.202 109 HG22 VAL 14 HG22 VAL 14 -7.949 20.833 -11.272 110 HG23 VAL 14 HG23 VAL 14 -7.283 22.149 -10.304 111 H GLY 15 H GLY 15 -3.342 20.975 -13.233 112 HA2 GLY 15 HA2 GLY 15 -2.826 23.417 -14.731 113 HA3 GLY 15 HA3 GLY 15 -1.663 22.152 -14.366 114 H ALA 16 H ALA 16 -2.162 20.003 -15.496 115 HA ALA 16 HA ALA 16 -1.909 20.298 -18.227 116 HB1 ALA 16 HB1 ALA 16 -1.453 18.248 -16.761 117 HB2 ALA 16 HB2 ALA 16 -3.150 17.845 -17.026 118 HB3 ALA 16 HB3 ALA 16 -2.049 17.972 -18.398 119 H ILE 17 H ILE 17 -4.849 19.572 -16.371 120 HA ILE 17 HA ILE 17 -6.608 19.239 -18.504 121 HB ILE 17 HB ILE 17 -7.259 20.469 -15.824 122 HG12 ILE 17 HG12 ILE 17 -7.253 17.570 -16.692 123 HG13 ILE 17 HG13 ILE 17 -6.109 18.313 -15.580 124 HG21 ILE 17 HG21 ILE 17 -8.848 20.058 -18.107 125 HG22 ILE 17 HG22 ILE 17 -9.318 18.825 -16.938 126 HG23 ILE 17 HG23 ILE 17 -9.374 20.530 -16.491 127 HD11 ILE 17 HD11 ILE 17 -8.017 18.812 -14.065 128 HD12 ILE 17 HD12 ILE 17 -9.049 17.875 -15.146 129 HD13 ILE 17 HD13 ILE 17 -7.707 17.093 -14.310 130 H ALA 18 H ALA 18 -5.530 22.180 -16.878 131 HA ALA 18 HA ALA 18 -7.295 23.895 -18.356 132 HB1 ALA 18 HB1 ALA 18 -4.858 24.937 -16.998 133 HB2 ALA 18 HB2 ALA 18 -6.483 25.617 -17.079 134 HB3 ALA 18 HB3 ALA 18 -6.154 24.247 -16.019 135 H GLU 19 H GLU 19 -4.038 22.700 -18.727 136 HA GLU 19 HA GLU 19 -3.246 24.602 -20.710 137 HB2 GLU 19 HB2 GLU 19 -1.870 22.890 -19.149 138 HB3 GLU 19 HB3 GLU 19 -1.929 21.948 -20.632 139 HG2 GLU 19 HG2 GLU 19 -0.090 23.071 -21.190 140 HG3 GLU 19 HG3 GLU 19 -1.192 24.394 -21.568 141 H HIS 20 H HIS 20 -5.089 21.704 -20.725 142 HA HIS 20 HA HIS 20 -4.646 20.970 -23.445 143 HB2 HIS 20 HB2 HIS 20 -6.442 20.124 -21.252 144 HB3 HIS 20 HB3 HIS 20 -7.050 19.855 -22.883 145 HD1 HIS 20 HD1 HIS 20 -5.457 18.359 -24.455 146 HD2 HIS 20 HD2 HIS 20 -4.626 18.281 -20.385 147 HE1 HIS 20 HE1 HIS 20 -4.010 16.333 -24.103 148 H PHE 21 H PHE 21 -6.928 23.048 -21.780 149 HA PHE 21 HA PHE 21 -8.371 23.557 -24.271 150 HB2 PHE 21 HB2 PHE 21 -8.928 24.507 -21.453 151 HB3 PHE 21 HB3 PHE 21 -9.954 24.810 -22.851 152 HD1 PHE 21 HD2 PHE 21 -10.731 22.661 -24.141 153 HD2 PHE 21 HD1 PHE 21 -9.393 22.710 -20.101 154 HE1 PHE 21 HE2 PHE 21 -11.921 20.548 -23.725 155 HE2 PHE 21 HE1 PHE 21 -10.580 20.596 -19.679 156 HZ PHE 21 HZ PHE 21 -11.847 19.513 -21.492 157 HN1 NH2 22 HN1 NH2 22 -5.529 24.650 -22.733 158 HN2 NH2 22 HN2 NH2 22 -5.494 26.352 -23.286 Start of MODEL 4 1 H1 GLY 1 H GLY 1 3.536 0.228 -0.817 2 HA2 GLY 1 HA2 GLY 1 3.453 -0.338 -3.051 3 HA3 GLY 1 HA3 GLY 1 1.870 -1.044 -2.763 4 H LEU 2 H LEU 2 0.010 0.310 -2.861 5 HA LEU 2 HA LEU 2 0.302 2.431 -4.807 6 HB2 LEU 2 HB2 LEU 2 -2.239 1.536 -3.473 7 HB3 LEU 2 HB3 LEU 2 -2.058 2.371 -5.014 8 HG LEU 2 HG LEU 2 -0.719 0.120 -5.582 9 HD11 LEU 2 HD11 LEU 2 -1.100 -1.585 -4.218 10 HD12 LEU 2 HD12 LEU 2 -2.841 -1.322 -4.300 11 HD13 LEU 2 HD13 LEU 2 -1.876 -0.466 -3.098 12 HD21 LEU 2 HD21 LEU 2 -2.509 -0.433 -6.923 13 HD22 LEU 2 HD22 LEU 2 -2.828 1.270 -6.593 14 HD23 LEU 2 HD23 LEU 2 -3.701 0.021 -5.704 15 H PHE 3 H PHE 3 0.249 2.200 -1.449 16 HA PHE 3 HA PHE 3 -1.189 4.410 -0.604 17 HB2 PHE 3 HB2 PHE 3 1.066 2.826 0.457 18 HB3 PHE 3 HB3 PHE 3 0.914 4.450 1.119 19 HD1 PHE 3 HD2 PHE 3 -1.716 2.043 0.061 20 HD2 PHE 3 HD1 PHE 3 0.098 4.179 3.265 21 HE1 PHE 3 HE2 PHE 3 -3.480 1.252 1.583 22 HE2 PHE 3 HE1 PHE 3 -1.663 3.390 4.792 23 HZ PHE 3 HZ PHE 3 -3.456 1.926 3.951 24 H GLY 4 H GLY 4 1.864 4.253 -2.256 25 HA2 GLY 4 HA2 GLY 4 2.421 7.076 -1.735 26 HA3 GLY 4 HA3 GLY 4 3.486 5.942 -2.551 27 H VAL 5 H VAL 5 0.894 5.150 -4.093 28 HA VAL 5 HA VAL 5 1.362 7.049 -6.253 29 HB VAL 5 HB VAL 5 -0.399 4.598 -6.301 30 HG11 VAL 5 HG11 VAL 5 -0.052 4.737 -8.730 31 HG12 VAL 5 HG12 VAL 5 -0.836 6.182 -8.091 32 HG13 VAL 5 HG13 VAL 5 0.879 6.217 -8.503 33 HG21 VAL 5 HG21 VAL 5 1.791 3.850 -5.709 34 HG22 VAL 5 HG22 VAL 5 1.552 3.505 -7.422 35 HG23 VAL 5 HG23 VAL 5 2.535 4.884 -6.929 36 H LEU 6 H LEU 6 -1.051 6.237 -3.904 37 HA LEU 6 HA LEU 6 -3.155 7.703 -5.255 38 HB2 LEU 6 HB2 LEU 6 -3.691 5.694 -3.976 39 HB3 LEU 6 HB3 LEU 6 -3.059 6.448 -2.514 40 HG LEU 6 HG LEU 6 -5.192 7.980 -3.809 41 HD11 LEU 6 HD11 LEU 6 -6.261 6.006 -4.366 42 HD12 LEU 6 HD12 LEU 6 -6.900 6.345 -2.758 43 HD13 LEU 6 HD13 LEU 6 -5.625 5.144 -2.965 44 HD21 LEU 6 HD21 LEU 6 -4.587 6.991 -1.031 45 HD22 LEU 6 HD22 LEU 6 -6.033 7.917 -1.434 46 HD23 LEU 6 HD23 LEU 6 -4.436 8.633 -1.659 47 H ALA 7 H ALA 7 -0.749 8.247 -2.822 48 HA ALA 7 HA ALA 7 -1.986 10.626 -1.761 49 HB1 ALA 7 HB1 ALA 7 -0.575 9.225 -0.344 50 HB2 ALA 7 HB2 ALA 7 0.810 9.560 -1.384 51 HB3 ALA 7 HB3 ALA 7 0.064 10.865 -0.461 52 H LYS 8 H LYS 8 0.586 9.851 -4.048 53 HA LYS 8 HA LYS 8 1.665 12.387 -4.417 54 HB2 LYS 8 HB2 LYS 8 2.583 11.573 -6.451 55 HB3 LYS 8 HB3 LYS 8 2.523 10.202 -5.352 56 HG2 LYS 8 HG2 LYS 8 1.618 9.146 -7.107 57 HG3 LYS 8 HG3 LYS 8 0.134 9.952 -6.593 58 HD2 LYS 8 HD2 LYS 8 0.547 11.764 -8.157 59 HD3 LYS 8 HD3 LYS 8 2.081 11.031 -8.631 60 HE2 LYS 8 HE2 LYS 8 -0.502 9.531 -8.886 61 HE3 LYS 8 HE3 LYS 8 0.018 10.664 -10.132 62 HZ1 LYS 8 HZ1 LYS 8 1.909 8.620 -9.213 63 HZ2 LYS 8 HZ2 LYS 8 1.764 9.346 -10.734 64 HZ3 LYS 8 HZ3 LYS 8 0.662 8.153 -10.258 65 H VAL 9 H VAL 9 -1.350 11.059 -5.496 66 HA VAL 9 HA VAL 9 -1.892 12.840 -7.616 67 HB VAL 9 HB VAL 9 -3.896 11.490 -5.803 68 HG11 VAL 9 HG11 VAL 9 -4.189 12.463 -8.643 69 HG12 VAL 9 HG12 VAL 9 -5.443 11.730 -7.641 70 HG13 VAL 9 HG13 VAL 9 -4.787 13.312 -7.218 71 HG21 VAL 9 HG21 VAL 9 -2.734 10.492 -8.402 72 HG22 VAL 9 HG22 VAL 9 -2.268 9.913 -6.803 73 HG23 VAL 9 HG23 VAL 9 -3.914 9.666 -7.384 74 H ALA 10 H ALA 10 -2.210 13.111 -4.151 75 HA ALA 10 HA ALA 10 -3.974 15.298 -4.036 76 HB1 ALA 10 HB1 ALA 10 -1.875 14.277 -2.146 77 HB2 ALA 10 HB2 ALA 10 -2.866 15.689 -1.777 78 HB3 ALA 10 HB3 ALA 10 -3.628 14.120 -2.034 79 H ALA 11 H ALA 11 -0.695 15.084 -4.997 80 HA ALA 11 HA ALA 11 -0.139 17.898 -4.518 81 HB1 ALA 11 HB1 ALA 11 2.081 17.429 -5.325 82 HB2 ALA 11 HB2 ALA 11 1.611 16.184 -4.167 83 HB3 ALA 11 HB3 ALA 11 1.577 15.839 -5.897 84 H HIS 12 H HIS 12 -1.663 16.087 -6.873 85 HA HIS 12 HA HIS 12 -0.798 17.666 -9.143 86 HB2 HIS 12 HB2 HIS 12 -2.185 15.170 -8.741 87 HB3 HIS 12 HB3 HIS 12 -3.097 16.199 -9.841 88 HD1 HIS 12 HD1 HIS 12 -2.370 16.153 -12.211 89 HD2 HIS 12 HD2 HIS 12 0.611 14.822 -9.642 90 HE1 HIS 12 HE1 HIS 12 -0.504 15.361 -13.699 91 HB2 I4G 13 HB2 I4G 13 -1.530 18.152 -11.077 92 HB3 I4G 13 HB3 I4G 13 -2.416 19.463 -11.859 93 HG I4G 13 HG I4G 13 -0.738 20.566 -9.734 94 HD13 I4G 13 HD13 I4G 13 0.744 18.873 -11.824 95 HD11 I4G 13 HD11 I4G 13 1.506 20.035 -10.723 96 HD12 I4G 13 HD12 I4G 13 0.734 18.583 -10.079 97 HD23 I4G 13 HD23 I4G 13 -1.641 21.831 -11.676 98 HD22 I4G 13 HD22 I4G 13 -0.652 20.864 -12.782 99 HD21 I4G 13 HD21 I4G 13 0.123 21.948 -11.612 100 HA2 I4G 13 HA2 I4G 13 -4.272 20.520 -8.932 101 HA3 I4G 13 HA3 I4G 13 -3.216 21.306 -10.121 102 H VAL 14 H VAL 14 -5.295 22.196 -10.680 103 HA VAL 14 HA VAL 14 -6.626 20.472 -12.668 104 HB VAL 14 HB VAL 14 -8.055 21.080 -10.672 105 HG11 VAL 14 HG11 VAL 14 -8.663 23.723 -11.746 106 HG12 VAL 14 HG12 VAL 14 -8.446 23.200 -10.075 107 HG13 VAL 14 HG13 VAL 14 -7.042 23.598 -11.065 108 HG21 VAL 14 HG21 VAL 14 -8.699 20.747 -13.286 109 HG22 VAL 14 HG22 VAL 14 -9.876 20.904 -11.982 110 HG23 VAL 14 HG23 VAL 14 -9.439 22.312 -12.950 111 H GLY 15 H GLY 15 -4.491 22.855 -12.426 112 HA2 GLY 15 HA2 GLY 15 -5.600 24.757 -14.297 113 HA3 GLY 15 HA3 GLY 15 -3.969 24.763 -13.642 114 H ALA 16 H ALA 16 -3.259 22.116 -14.407 115 HA ALA 16 HA ALA 16 -2.232 22.563 -16.963 116 HB1 ALA 16 HB1 ALA 16 -1.512 20.874 -15.147 117 HB2 ALA 16 HB2 ALA 16 -2.675 19.794 -15.917 118 HB3 ALA 16 HB3 ALA 16 -1.318 20.435 -16.844 119 H ILE 17 H ILE 17 -5.058 20.674 -15.943 120 HA ILE 17 HA ILE 17 -5.758 19.652 -18.451 121 HB ILE 17 HB ILE 17 -7.657 20.389 -16.222 122 HG12 ILE 17 HG12 ILE 17 -6.134 17.820 -16.708 123 HG13 ILE 17 HG13 ILE 17 -5.829 18.966 -15.407 124 HG21 ILE 17 HG21 ILE 17 -8.083 19.311 -18.809 125 HG22 ILE 17 HG22 ILE 17 -8.394 18.037 -17.631 126 HG23 ILE 17 HG23 ILE 17 -9.258 19.570 -17.520 127 HD11 ILE 17 HD11 ILE 17 -7.052 17.148 -14.503 128 HD12 ILE 17 HD12 ILE 17 -8.151 18.524 -14.598 129 HD13 ILE 17 HD13 ILE 17 -8.251 17.231 -15.793 130 H ALA 18 H ALA 18 -6.632 22.690 -16.866 131 HA ALA 18 HA ALA 18 -8.440 23.541 -18.895 132 HB1 ALA 18 HB1 ALA 18 -8.345 25.717 -17.785 133 HB2 ALA 18 HB2 ALA 18 -8.566 24.411 -16.621 134 HB3 ALA 18 HB3 ALA 18 -6.983 25.163 -16.811 135 H GLU 19 H GLU 19 -4.994 23.761 -18.449 136 HA GLU 19 HA GLU 19 -4.568 25.837 -20.370 137 HB2 GLU 19 HB2 GLU 19 -3.009 24.462 -18.465 138 HB3 GLU 19 HB3 GLU 19 -2.261 24.152 -20.025 139 HG2 GLU 19 HG2 GLU 19 -1.216 26.089 -19.714 140 HG3 GLU 19 HG3 GLU 19 -2.753 26.836 -20.148 141 H HIS 20 H HIS 20 -5.078 22.446 -20.531 142 HA HIS 20 HA HIS 20 -3.757 21.946 -23.002 143 HB2 HIS 20 HB2 HIS 20 -5.696 20.480 -21.278 144 HB3 HIS 20 HB3 HIS 20 -5.535 19.965 -22.955 145 HD1 HIS 20 HD1 HIS 20 -2.602 20.039 -23.455 146 HD2 HIS 20 HD2 HIS 20 -4.194 18.767 -19.835 147 HE1 HIS 20 HE1 HIS 20 -0.827 18.596 -22.410 148 H PHE 21 H PHE 21 -7.124 22.644 -22.127 149 HA PHE 21 HA PHE 21 -7.782 22.905 -24.973 150 HB2 PHE 21 HB2 PHE 21 -9.583 22.777 -22.544 151 HB3 PHE 21 HB3 PHE 21 -10.140 22.916 -24.209 152 HD1 PHE 21 HD2 PHE 21 -9.984 21.038 -25.736 153 HD2 PHE 21 HD1 PHE 21 -8.706 20.704 -21.690 154 HE1 PHE 21 HE2 PHE 21 -9.969 18.587 -25.947 155 HE2 PHE 21 HE1 PHE 21 -8.688 18.253 -21.894 156 HZ PHE 21 HZ PHE 21 -9.321 17.191 -24.025 157 HN1 NH2 22 HN1 NH2 22 -8.917 24.596 -21.867 158 HN2 NH2 22 HN2 NH2 22 -8.800 26.267 -22.499 Start of MODEL 5 1 H1 GLY 1 H GLY 1 1.126 1.266 1.570 2 HA2 GLY 1 HA2 GLY 1 2.098 -0.257 -0.146 3 HA3 GLY 1 HA3 GLY 1 0.441 -0.705 -0.525 4 H LEU 2 H LEU 2 -0.647 0.442 -2.017 5 HA LEU 2 HA LEU 2 0.795 2.547 -3.396 6 HB2 LEU 2 HB2 LEU 2 -1.931 1.474 -4.067 7 HB3 LEU 2 HB3 LEU 2 -0.804 2.315 -5.130 8 HG LEU 2 HG LEU 2 0.689 0.177 -4.557 9 HD11 LEU 2 HD11 LEU 2 -1.785 -0.493 -3.414 10 HD12 LEU 2 HD12 LEU 2 -0.387 -1.539 -3.660 11 HD13 LEU 2 HD13 LEU 2 -1.646 -1.445 -4.892 12 HD21 LEU 2 HD21 LEU 2 -0.756 -0.842 -6.605 13 HD22 LEU 2 HD22 LEU 2 0.472 0.412 -6.783 14 HD23 LEU 2 HD23 LEU 2 -1.233 0.854 -6.675 15 H PHE 3 H PHE 3 -1.495 2.331 -0.938 16 HA PHE 3 HA PHE 3 -3.234 4.435 -1.396 17 HB2 PHE 3 HB2 PHE 3 -2.207 3.025 0.986 18 HB3 PHE 3 HB3 PHE 3 -2.847 4.637 1.288 19 HD1 PHE 3 HD2 PHE 3 -3.953 2.039 -1.133 20 HD2 PHE 3 HD1 PHE 3 -4.880 4.320 2.339 21 HE1 PHE 3 HE2 PHE 3 -6.239 1.130 -1.151 22 HE2 PHE 3 HE1 PHE 3 -7.168 3.414 2.327 23 HZ PHE 3 HZ PHE 3 -7.850 1.818 0.579 24 H GLY 4 H GLY 4 0.137 4.491 -0.558 25 HA2 GLY 4 HA2 GLY 4 0.055 7.351 0.051 26 HA3 GLY 4 HA3 GLY 4 1.447 6.292 0.224 27 H VAL 5 H VAL 5 0.615 5.305 -2.615 28 HA VAL 5 HA VAL 5 2.335 7.204 -3.997 29 HB VAL 5 HB VAL 5 1.136 4.662 -5.097 30 HG11 VAL 5 HG11 VAL 5 1.968 6.215 -6.780 31 HG12 VAL 5 HG12 VAL 5 3.523 6.299 -5.950 32 HG13 VAL 5 HG13 VAL 5 2.995 4.784 -6.685 33 HG21 VAL 5 HG21 VAL 5 3.369 3.662 -4.575 34 HG22 VAL 5 HG22 VAL 5 3.724 5.097 -3.613 35 HG23 VAL 5 HG23 VAL 5 2.388 4.039 -3.158 36 H LEU 6 H LEU 6 -0.906 5.792 -4.379 37 HA LEU 6 HA LEU 6 -1.627 7.250 -6.673 38 HB2 LEU 6 HB2 LEU 6 -2.817 5.358 -4.962 39 HB3 LEU 6 HB3 LEU 6 -3.904 6.744 -5.008 40 HG LEU 6 HG LEU 6 -3.045 6.031 -7.668 41 HD11 LEU 6 HD11 LEU 6 -2.775 3.795 -6.959 42 HD12 LEU 6 HD12 LEU 6 -4.366 3.880 -7.716 43 HD13 LEU 6 HD13 LEU 6 -4.226 3.858 -5.958 44 HD21 LEU 6 HD21 LEU 6 -5.811 5.776 -6.546 45 HD22 LEU 6 HD22 LEU 6 -5.304 6.277 -8.160 46 HD23 LEU 6 HD23 LEU 6 -5.072 7.359 -6.786 47 H ALA 7 H ALA 7 -1.592 8.076 -3.298 48 HA ALA 7 HA ALA 7 -3.347 10.305 -3.433 49 HB1 ALA 7 HB1 ALA 7 -1.830 10.910 -1.309 50 HB2 ALA 7 HB2 ALA 7 -3.127 9.715 -1.261 51 HB3 ALA 7 HB3 ALA 7 -1.454 9.193 -1.458 52 H LYS 8 H LYS 8 0.093 9.875 -3.963 53 HA LYS 8 HA LYS 8 0.883 12.566 -3.903 54 HB2 LYS 8 HB2 LYS 8 1.976 10.065 -5.101 55 HB3 LYS 8 HB3 LYS 8 2.647 11.598 -5.643 56 HG2 LYS 8 HG2 LYS 8 2.420 11.313 -2.732 57 HG3 LYS 8 HG3 LYS 8 3.540 10.193 -3.511 58 HD2 LYS 8 HD2 LYS 8 3.591 13.137 -4.103 59 HD3 LYS 8 HD3 LYS 8 4.456 12.456 -2.723 60 HE2 LYS 8 HE2 LYS 8 6.144 12.093 -4.135 61 HE3 LYS 8 HE3 LYS 8 5.162 10.794 -4.810 62 HZ1 LYS 8 HZ1 LYS 8 4.691 11.984 -6.644 63 HZ2 LYS 8 HZ2 LYS 8 6.115 12.808 -6.252 64 HZ3 LYS 8 HZ3 LYS 8 4.615 13.461 -5.823 65 H VAL 9 H VAL 9 -0.715 10.670 -6.352 66 HA VAL 9 HA VAL 9 -0.223 12.365 -8.562 67 HB VAL 9 HB VAL 9 -2.604 10.557 -8.127 68 HG11 VAL 9 HG11 VAL 9 -2.790 10.530 -10.533 69 HG12 VAL 9 HG12 VAL 9 -2.828 12.200 -9.963 70 HG13 VAL 9 HG13 VAL 9 -1.358 11.547 -10.688 71 HG21 VAL 9 HG21 VAL 9 -0.434 9.399 -7.843 72 HG22 VAL 9 HG22 VAL 9 -1.344 8.827 -9.241 73 HG23 VAL 9 HG23 VAL 9 0.022 9.919 -9.466 74 H ALA 10 H ALA 10 -2.557 12.438 -5.968 75 HA ALA 10 HA ALA 10 -4.303 14.346 -7.194 76 HB1 ALA 10 HB1 ALA 10 -5.479 14.375 -5.143 77 HB2 ALA 10 HB2 ALA 10 -4.935 12.713 -5.375 78 HB3 ALA 10 HB3 ALA 10 -4.083 13.771 -4.250 79 H ALA 11 H ALA 11 -1.311 14.529 -5.541 80 HA ALA 11 HA ALA 11 -1.616 17.226 -4.590 81 HB1 ALA 11 HB1 ALA 11 -0.056 15.343 -3.703 82 HB2 ALA 11 HB2 ALA 11 1.044 15.915 -4.958 83 HB3 ALA 11 HB3 ALA 11 0.500 17.017 -3.693 84 H HIS 12 H HIS 12 -1.135 15.888 -7.610 85 HA HIS 12 HA HIS 12 0.626 17.920 -8.661 86 HB2 HIS 12 HB2 HIS 12 -0.428 15.387 -9.552 87 HB3 HIS 12 HB3 HIS 12 -0.666 16.613 -10.794 88 HD1 HIS 12 HD1 HIS 12 1.283 17.048 -12.264 89 HD2 HIS 12 HD2 HIS 12 2.399 15.241 -8.694 90 HE1 HIS 12 HE1 HIS 12 3.744 16.580 -12.488 91 HB2 I4G 13 HB2 I4G 13 1.078 18.782 -10.548 92 HB3 I4G 13 HB3 I4G 13 0.648 20.220 -11.476 93 HG I4G 13 HG I4G 13 0.706 20.777 -8.572 94 HD13 I4G 13 HD13 I4G 13 3.314 19.824 -9.886 95 HD11 I4G 13 HD11 I4G 13 3.199 20.644 -8.318 96 HD12 I4G 13 HD12 I4G 13 2.494 19.038 -8.530 97 HD23 I4G 13 HD23 I4G 13 0.670 22.518 -10.349 98 HD22 I4G 13 HD22 I4G 13 2.236 21.953 -10.952 99 HD21 I4G 13 HD21 I4G 13 2.113 22.678 -9.339 100 HA2 I4G 13 HA2 I4G 13 -2.122 21.208 -9.672 101 HA3 I4G 13 HA3 I4G 13 -1.090 21.465 -11.091 102 H VAL 14 H VAL 14 -3.336 22.286 -11.580 103 HA VAL 14 HA VAL 14 -4.766 20.140 -13.010 104 HB VAL 14 HB VAL 14 -6.052 21.222 -11.119 105 HG11 VAL 14 HG11 VAL 14 -6.173 23.572 -13.004 106 HG12 VAL 14 HG12 VAL 14 -6.944 23.429 -11.423 107 HG13 VAL 14 HG13 VAL 14 -5.186 23.516 -11.543 108 HG21 VAL 14 HG21 VAL 14 -6.918 20.180 -13.406 109 HG22 VAL 14 HG22 VAL 14 -8.018 20.876 -12.216 110 HG23 VAL 14 HG23 VAL 14 -7.528 21.821 -13.622 111 H GLY 15 H GLY 15 -2.652 22.499 -13.516 112 HA2 GLY 15 HA2 GLY 15 -3.678 24.216 -15.437 113 HA3 GLY 15 HA3 GLY 15 -2.007 23.673 -15.380 114 H ALA 16 H ALA 16 -2.618 20.880 -15.790 115 HA ALA 16 HA ALA 16 -2.409 20.690 -18.540 116 HB1 ALA 16 HB1 ALA 16 -3.574 18.292 -17.799 117 HB2 ALA 16 HB2 ALA 16 -1.849 18.660 -17.818 118 HB3 ALA 16 HB3 ALA 16 -2.775 18.852 -16.329 119 H ILE 17 H ILE 17 -5.310 19.871 -16.624 120 HA ILE 17 HA ILE 17 -7.031 19.552 -18.807 121 HB ILE 17 HB ILE 17 -7.803 20.461 -16.033 122 HG12 ILE 17 HG12 ILE 17 -7.488 17.664 -17.144 123 HG13 ILE 17 HG13 ILE 17 -6.434 18.424 -15.958 124 HG21 ILE 17 HG21 ILE 17 -9.902 20.392 -16.747 125 HG22 ILE 17 HG22 ILE 17 -9.325 20.043 -18.376 126 HG23 ILE 17 HG23 ILE 17 -9.689 18.721 -17.268 127 HD11 ILE 17 HD11 ILE 17 -8.814 16.941 -15.538 128 HD12 ILE 17 HD12 ILE 17 -7.722 17.646 -14.345 129 HD13 ILE 17 HD13 ILE 17 -9.073 18.590 -14.971 130 H ALA 18 H ALA 18 -6.357 22.396 -16.801 131 HA ALA 18 HA ALA 18 -8.254 24.121 -17.927 132 HB1 ALA 18 HB1 ALA 18 -5.749 24.467 -16.375 133 HB2 ALA 18 HB2 ALA 18 -6.399 25.878 -17.211 134 HB3 ALA 18 HB3 ALA 18 -7.387 25.023 -16.026 135 H GLU 19 H GLU 19 -5.184 23.017 -19.103 136 HA GLU 19 HA GLU 19 -4.787 25.100 -21.016 137 HB2 GLU 19 HB2 GLU 19 -3.277 22.975 -20.025 138 HB3 GLU 19 HB3 GLU 19 -3.533 22.578 -21.718 139 HG2 GLU 19 HG2 GLU 19 -2.853 25.267 -21.735 140 HG3 GLU 19 HG3 GLU 19 -1.793 24.546 -20.526 141 H HIS 20 H HIS 20 -6.699 22.251 -20.909 142 HA HIS 20 HA HIS 20 -7.017 22.147 -23.807 143 HB2 HIS 20 HB2 HIS 20 -7.920 20.390 -21.541 144 HB3 HIS 20 HB3 HIS 20 -8.624 20.226 -23.147 145 HD1 HIS 20 HD1 HIS 20 -6.369 20.245 -25.022 146 HD2 HIS 20 HD2 HIS 20 -6.038 18.484 -21.273 147 HE1 HIS 20 HE1 HIS 20 -4.470 18.608 -25.213 148 H PHE 21 H PHE 21 -8.657 23.266 -20.964 149 HA PHE 21 HA PHE 21 -11.181 23.639 -22.352 150 HB2 PHE 21 HB2 PHE 21 -10.239 23.819 -19.550 151 HB3 PHE 21 HB3 PHE 21 -11.544 24.913 -19.998 152 HD1 PHE 21 HD2 PHE 21 -13.662 23.954 -20.940 153 HD2 PHE 21 HD1 PHE 21 -10.637 21.541 -19.166 154 HE1 PHE 21 HE2 PHE 21 -15.288 22.129 -20.658 155 HE2 PHE 21 HE1 PHE 21 -12.259 19.712 -18.882 156 HZ PHE 21 HZ PHE 21 -14.587 20.005 -19.628 157 HN1 NH2 22 HN1 NH2 22 -8.176 25.436 -21.538 158 HN2 NH2 22 HN2 NH2 22 -8.691 27.051 -22.114 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.695 -1.984 -0.413 2 HA2 GLY 1 HA2 GLY 1 2.123 0.528 0.561 3 HA3 GLY 1 HA3 GLY 1 3.193 -0.242 -0.601 4 H LEU 2 H LEU 2 -0.114 0.531 -1.393 5 HA LEU 2 HA LEU 2 0.833 2.317 -3.485 6 HB2 LEU 2 HB2 LEU 2 -2.010 1.510 -2.933 7 HB3 LEU 2 HB3 LEU 2 -1.332 2.136 -4.434 8 HG LEU 2 HG LEU 2 0.103 -0.095 -4.269 9 HD11 LEU 2 HD11 LEU 2 -0.587 -1.585 -2.784 10 HD12 LEU 2 HD12 LEU 2 -2.225 -1.515 -3.433 11 HD13 LEU 2 HD13 LEU 2 -1.736 -0.404 -2.154 12 HD21 LEU 2 HD21 LEU 2 -1.291 -0.996 -5.905 13 HD22 LEU 2 HD22 LEU 2 -1.588 0.739 -6.015 14 HD23 LEU 2 HD23 LEU 2 -2.745 -0.303 -5.184 15 H PHE 3 H PHE 3 -0.320 2.552 -0.331 16 HA PHE 3 HA PHE 3 -1.939 4.798 -0.328 17 HB2 PHE 3 HB2 PHE 3 -0.169 3.469 1.626 18 HB3 PHE 3 HB3 PHE 3 -0.517 5.162 1.961 19 HD1 PHE 3 HD2 PHE 3 -2.674 2.528 0.464 20 HD2 PHE 3 HD1 PHE 3 -1.993 5.159 3.739 21 HE1 PHE 3 HE2 PHE 3 -4.845 1.886 1.426 22 HE2 PHE 3 HE1 PHE 3 -4.163 4.521 4.708 23 HZ PHE 3 HZ PHE 3 -5.593 2.883 3.550 24 H GLY 4 H GLY 4 1.485 4.537 -0.855 25 HA2 GLY 4 HA2 GLY 4 1.861 7.426 -0.595 26 HA3 GLY 4 HA3 GLY 4 3.127 6.233 -0.847 27 H VAL 5 H VAL 5 1.178 5.131 -3.018 28 HA VAL 5 HA VAL 5 2.343 6.727 -5.158 29 HB VAL 5 HB VAL 5 0.673 4.227 -5.421 30 HG11 VAL 5 HG11 VAL 5 0.755 5.222 -7.519 31 HG12 VAL 5 HG12 VAL 5 2.400 5.817 -7.282 32 HG13 VAL 5 HG13 VAL 5 2.114 4.099 -7.560 33 HG21 VAL 5 HG21 VAL 5 3.368 3.626 -5.890 34 HG22 VAL 5 HG22 VAL 5 3.336 4.549 -4.388 35 HG23 VAL 5 HG23 VAL 5 2.367 3.084 -4.543 36 H LEU 6 H LEU 6 -0.873 5.547 -4.187 37 HA LEU 6 HA LEU 6 -2.309 6.952 -6.163 38 HB2 LEU 6 HB2 LEU 6 -3.019 5.016 -4.573 39 HB3 LEU 6 HB3 LEU 6 -3.474 6.323 -3.483 40 HG LEU 6 HG LEU 6 -4.845 7.180 -5.531 41 HD11 LEU 6 HD11 LEU 6 -3.732 5.210 -6.879 42 HD12 LEU 6 HD12 LEU 6 -5.395 5.707 -7.187 43 HD13 LEU 6 HD13 LEU 6 -5.070 4.289 -6.191 44 HD21 LEU 6 HD21 LEU 6 -5.581 6.135 -3.273 45 HD22 LEU 6 HD22 LEU 6 -5.926 4.704 -4.245 46 HD23 LEU 6 HD23 LEU 6 -6.738 6.229 -4.601 47 H ALA 7 H ALA 7 -0.986 7.906 -3.107 48 HA ALA 7 HA ALA 7 -2.598 10.222 -2.713 49 HB1 ALA 7 HB1 ALA 7 -0.375 8.929 -1.388 50 HB2 ALA 7 HB2 ALA 7 -0.198 10.684 -1.401 51 HB3 ALA 7 HB3 ALA 7 -1.649 9.949 -0.719 52 H LYS 8 H LYS 8 0.232 9.521 -4.591 53 HA LYS 8 HA LYS 8 1.165 12.184 -4.904 54 HB2 LYS 8 HB2 LYS 8 1.747 9.547 -6.065 55 HB3 LYS 8 HB3 LYS 8 2.012 10.894 -7.165 56 HG2 LYS 8 HG2 LYS 8 3.266 11.878 -5.042 57 HG3 LYS 8 HG3 LYS 8 3.442 10.159 -4.680 58 HD2 LYS 8 HD2 LYS 8 4.659 9.753 -6.635 59 HD3 LYS 8 HD3 LYS 8 4.119 11.254 -7.391 60 HE2 LYS 8 HE2 LYS 8 6.047 12.148 -6.722 61 HE3 LYS 8 HE3 LYS 8 5.404 12.086 -5.082 62 HZ1 LYS 8 HZ1 LYS 8 7.560 11.040 -5.183 63 HZ2 LYS 8 HZ2 LYS 8 7.039 9.985 -6.399 64 HZ3 LYS 8 HZ3 LYS 8 6.383 9.873 -4.844 65 H VAL 9 H VAL 9 -1.269 10.266 -6.503 66 HA VAL 9 HA VAL 9 -1.548 11.889 -8.818 67 HB VAL 9 HB VAL 9 -3.624 10.095 -7.553 68 HG11 VAL 9 HG11 VAL 9 -4.472 11.695 -9.238 69 HG12 VAL 9 HG12 VAL 9 -3.337 11.021 -10.409 70 HG13 VAL 9 HG13 VAL 9 -4.625 10.014 -9.746 71 HG21 VAL 9 HG21 VAL 9 -1.479 8.941 -8.003 72 HG22 VAL 9 HG22 VAL 9 -2.809 8.338 -8.992 73 HG23 VAL 9 HG23 VAL 9 -1.609 9.422 -9.695 74 H ALA 10 H ALA 10 -2.852 12.026 -5.583 75 HA ALA 10 HA ALA 10 -4.900 13.941 -6.205 76 HB1 ALA 10 HB1 ALA 10 -4.905 12.279 -4.275 77 HB2 ALA 10 HB2 ALA 10 -3.802 13.392 -3.464 78 HB3 ALA 10 HB3 ALA 10 -5.420 13.927 -3.916 79 H ALA 11 H ALA 11 -1.541 14.076 -5.560 80 HA ALA 11 HA ALA 11 -1.501 16.767 -4.547 81 HB1 ALA 11 HB1 ALA 11 0.256 14.737 -4.386 82 HB2 ALA 11 HB2 ALA 11 0.961 15.649 -5.722 83 HB3 ALA 11 HB3 ALA 11 0.697 16.431 -4.163 84 H HIS 12 H HIS 12 -1.996 15.451 -7.574 85 HA HIS 12 HA HIS 12 -0.604 17.438 -9.125 86 HB2 HIS 12 HB2 HIS 12 -2.008 14.972 -9.635 87 HB3 HIS 12 HB3 HIS 12 -2.580 16.231 -10.726 88 HD1 HIS 12 HD1 HIS 12 -1.200 16.608 -12.751 89 HD2 HIS 12 HD2 HIS 12 0.936 14.691 -9.747 90 HE1 HIS 12 HE1 HIS 12 1.029 16.041 -13.768 91 HB2 I4G 13 HB2 I4G 13 -0.747 18.317 -11.052 92 HB3 I4G 13 HB3 I4G 13 -1.385 19.790 -11.784 93 HG I4G 13 HG I4G 13 -0.422 20.402 -9.097 94 HD13 I4G 13 HD13 I4G 13 1.634 19.052 -10.936 95 HD11 I4G 13 HD11 I4G 13 2.021 19.958 -9.462 96 HD12 I4G 13 HD12 I4G 13 1.108 18.450 -9.359 97 HD23 I4G 13 HD23 I4G 13 -0.717 22.041 -10.945 98 HD22 I4G 13 HD22 I4G 13 0.566 21.247 -11.871 99 HD21 I4G 13 HD21 I4G 13 0.946 22.063 -10.344 100 HA2 I4G 13 HA2 I4G 13 -3.837 20.505 -9.227 101 HA3 I4G 13 HA3 I4G 13 -2.670 21.283 -10.313 102 H VAL 14 H VAL 14 -4.850 22.177 -10.838 103 HA VAL 14 HA VAL 14 -6.127 20.541 -12.927 104 HB VAL 14 HB VAL 14 -7.567 21.452 -11.057 105 HG11 VAL 14 HG11 VAL 14 -7.776 23.649 -10.647 106 HG12 VAL 14 HG12 VAL 14 -6.234 23.785 -11.494 107 HG13 VAL 14 HG13 VAL 14 -7.745 24.073 -12.358 108 HG21 VAL 14 HG21 VAL 14 -8.686 22.682 -13.473 109 HG22 VAL 14 HG22 VAL 14 -8.113 21.028 -13.689 110 HG23 VAL 14 HG23 VAL 14 -9.324 21.389 -12.458 111 H GLY 15 H GLY 15 -3.731 22.664 -12.716 112 HA2 GLY 15 HA2 GLY 15 -4.366 24.730 -14.519 113 HA3 GLY 15 HA3 GLY 15 -2.745 24.156 -14.154 114 H ALA 16 H ALA 16 -2.940 21.529 -15.067 115 HA ALA 16 HA ALA 16 -2.360 21.823 -17.783 116 HB1 ALA 16 HB1 ALA 16 -2.511 19.325 -17.857 117 HB2 ALA 16 HB2 ALA 16 -1.465 19.964 -16.589 118 HB3 ALA 16 HB3 ALA 16 -3.077 19.372 -16.187 119 H ILE 17 H ILE 17 -5.314 20.670 -16.190 120 HA ILE 17 HA ILE 17 -6.742 19.973 -18.492 121 HB ILE 17 HB ILE 17 -7.899 21.071 -15.928 122 HG12 ILE 17 HG12 ILE 17 -7.222 18.222 -16.692 123 HG13 ILE 17 HG13 ILE 17 -6.377 19.194 -15.492 124 HG21 ILE 17 HG21 ILE 17 -9.105 19.260 -18.016 125 HG22 ILE 17 HG22 ILE 17 -9.889 19.816 -16.539 126 HG23 ILE 17 HG23 ILE 17 -9.475 20.971 -17.805 127 HD11 ILE 17 HD11 ILE 17 -7.727 18.245 -14.008 128 HD12 ILE 17 HD12 ILE 17 -8.991 19.293 -14.652 129 HD13 ILE 17 HD13 ILE 17 -8.818 17.647 -15.258 130 H ALA 18 H ALA 18 -6.453 23.061 -16.796 131 HA ALA 18 HA ALA 18 -8.348 24.432 -18.428 132 HB1 ALA 18 HB1 ALA 18 -6.141 25.628 -16.760 133 HB2 ALA 18 HB2 ALA 18 -7.606 26.431 -17.325 134 HB3 ALA 18 HB3 ALA 18 -7.714 25.137 -16.132 135 H GLU 19 H GLU 19 -4.869 23.948 -18.547 136 HA GLU 19 HA GLU 19 -4.288 25.881 -20.518 137 HB2 GLU 19 HB2 GLU 19 -2.770 24.293 -18.959 138 HB3 GLU 19 HB3 GLU 19 -2.672 23.396 -20.468 139 HG2 GLU 19 HG2 GLU 19 -2.125 25.791 -21.439 140 HG3 GLU 19 HG3 GLU 19 -1.608 26.076 -19.778 141 H HIS 20 H HIS 20 -5.775 22.790 -20.683 142 HA HIS 20 HA HIS 20 -5.224 22.391 -23.496 143 HB2 HIS 20 HB2 HIS 20 -6.036 20.746 -21.353 144 HB3 HIS 20 HB3 HIS 20 -7.366 20.740 -22.507 145 HD1 HIS 20 HD1 HIS 20 -6.163 20.519 -25.158 146 HD2 HIS 20 HD2 HIS 20 -4.459 18.629 -21.874 147 HE1 HIS 20 HE1 HIS 20 -4.751 18.666 -26.106 148 H PHE 21 H PHE 21 -7.731 23.743 -21.504 149 HA PHE 21 HA PHE 21 -9.527 23.978 -23.808 150 HB2 PHE 21 HB2 PHE 21 -9.893 24.058 -20.854 151 HB3 PHE 21 HB3 PHE 21 -10.996 25.017 -21.836 152 HD1 PHE 21 HD2 PHE 21 -12.413 23.894 -23.541 153 HD2 PHE 21 HD1 PHE 21 -10.080 21.710 -20.729 154 HE1 PHE 21 HE2 PHE 21 -13.762 21.885 -23.987 155 HE2 PHE 21 HE1 PHE 21 -11.426 19.697 -21.171 156 HZ PHE 21 HZ PHE 21 -13.270 19.784 -22.801 157 HN1 NH2 22 HN1 NH2 22 -6.840 25.609 -22.810 158 HN2 NH2 22 HN2 NH2 22 -7.316 27.315 -23.069 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -0.797 -1.733 -2.577 2 HA2 GLY 1 HA2 GLY 1 -0.618 -0.453 -0.354 3 HA3 GLY 1 HA3 GLY 1 1.109 -0.557 -0.664 4 H LEU 2 H LEU 2 -1.915 0.545 -2.178 5 HA LEU 2 HA LEU 2 -0.456 2.443 -3.819 6 HB2 LEU 2 HB2 LEU 2 -3.439 2.176 -3.570 7 HB3 LEU 2 HB3 LEU 2 -2.520 2.891 -4.893 8 HG LEU 2 HG LEU 2 -1.583 0.399 -5.052 9 HD11 LEU 2 HD11 LEU 2 -3.640 0.146 -3.157 10 HD12 LEU 2 HD12 LEU 2 -2.740 -1.142 -3.958 11 HD13 LEU 2 HD13 LEU 2 -4.251 -0.557 -4.654 12 HD21 LEU 2 HD21 LEU 2 -3.576 0.003 -6.653 13 HD22 LEU 2 HD22 LEU 2 -2.476 1.345 -6.970 14 HD23 LEU 2 HD23 LEU 2 -4.042 1.647 -6.216 15 H PHE 3 H PHE 3 -1.810 2.370 -0.738 16 HA PHE 3 HA PHE 3 -2.942 4.873 -0.395 17 HB2 PHE 3 HB2 PHE 3 -1.649 2.883 1.361 18 HB3 PHE 3 HB3 PHE 3 -1.681 4.527 1.989 19 HD1 PHE 3 HD2 PHE 3 -4.180 2.707 -0.079 20 HD2 PHE 3 HD1 PHE 3 -3.278 4.530 3.660 21 HE1 PHE 3 HE2 PHE 3 -6.511 2.383 0.637 22 HE2 PHE 3 HE1 PHE 3 -5.608 4.208 4.382 23 HZ PHE 3 HZ PHE 3 -7.228 3.134 2.870 24 H GLY 4 H GLY 4 0.394 3.987 -0.791 25 HA2 GLY 4 HA2 GLY 4 1.314 6.641 0.021 26 HA3 GLY 4 HA3 GLY 4 2.334 5.269 -0.385 27 H VAL 5 H VAL 5 0.403 4.994 -2.818 28 HA VAL 5 HA VAL 5 2.039 6.665 -4.558 29 HB VAL 5 HB VAL 5 -0.033 4.629 -5.373 30 HG11 VAL 5 HG11 VAL 5 2.211 6.011 -6.827 31 HG12 VAL 5 HG12 VAL 5 1.387 4.582 -7.454 32 HG13 VAL 5 HG13 VAL 5 0.485 6.074 -7.183 33 HG21 VAL 5 HG21 VAL 5 2.245 3.338 -5.833 34 HG22 VAL 5 HG22 VAL 5 2.771 4.310 -4.458 35 HG23 VAL 5 HG23 VAL 5 1.394 3.221 -4.293 36 H LEU 6 H LEU 6 -1.194 6.456 -3.333 37 HA LEU 6 HA LEU 6 -2.429 8.088 -5.323 38 HB2 LEU 6 HB2 LEU 6 -3.643 6.490 -3.864 39 HB3 LEU 6 HB3 LEU 6 -3.325 7.553 -2.495 40 HG LEU 6 HG LEU 6 -4.720 9.274 -3.448 41 HD11 LEU 6 HD11 LEU 6 -4.704 7.477 -5.832 42 HD12 LEU 6 HD12 LEU 6 -4.460 9.220 -5.737 43 HD13 LEU 6 HD13 LEU 6 -6.077 8.545 -5.541 44 HD21 LEU 6 HD21 LEU 6 -5.689 7.257 -2.191 45 HD22 LEU 6 HD22 LEU 6 -6.279 6.731 -3.768 46 HD23 LEU 6 HD23 LEU 6 -6.802 8.279 -3.101 47 H ALA 7 H ALA 7 -0.899 8.684 -2.213 48 HA ALA 7 HA ALA 7 -1.707 11.335 -1.825 49 HB1 ALA 7 HB1 ALA 7 1.012 10.823 -0.934 50 HB2 ALA 7 HB2 ALA 7 -0.435 11.204 0.001 51 HB3 ALA 7 HB3 ALA 7 -0.108 9.539 -0.478 52 H LYS 8 H LYS 8 0.749 9.952 -3.880 53 HA LYS 8 HA LYS 8 2.162 12.370 -4.397 54 HB2 LYS 8 HB2 LYS 8 2.110 9.626 -5.546 55 HB3 LYS 8 HB3 LYS 8 2.768 10.909 -6.553 56 HG2 LYS 8 HG2 LYS 8 4.523 11.330 -5.091 57 HG3 LYS 8 HG3 LYS 8 3.714 10.535 -3.739 58 HD2 LYS 8 HD2 LYS 8 4.330 8.447 -4.421 59 HD3 LYS 8 HD3 LYS 8 4.332 8.887 -6.130 60 HE2 LYS 8 HE2 LYS 8 6.591 8.497 -5.509 61 HE3 LYS 8 HE3 LYS 8 6.396 10.242 -5.675 62 HZ1 LYS 8 HZ1 LYS 8 6.098 10.335 -3.232 63 HZ2 LYS 8 HZ2 LYS 8 7.632 9.799 -3.702 64 HZ3 LYS 8 HZ3 LYS 8 6.483 8.689 -3.147 65 H VAL 9 H VAL 9 -0.576 10.749 -5.887 66 HA VAL 9 HA VAL 9 -0.681 12.371 -8.218 67 HB VAL 9 HB VAL 9 -2.942 10.847 -6.918 68 HG11 VAL 9 HG11 VAL 9 -3.965 10.863 -9.104 69 HG12 VAL 9 HG12 VAL 9 -3.612 12.520 -8.612 70 HG13 VAL 9 HG13 VAL 9 -2.575 11.707 -9.785 71 HG21 VAL 9 HG21 VAL 9 -1.039 9.923 -9.068 72 HG22 VAL 9 HG22 VAL 9 -0.955 9.440 -7.373 73 HG23 VAL 9 HG23 VAL 9 -2.355 8.994 -8.348 74 H ALA 10 H ALA 10 -1.930 12.690 -4.975 75 HA ALA 10 HA ALA 10 -3.837 14.720 -5.500 76 HB1 ALA 10 HB1 ALA 10 -3.964 13.431 -3.470 77 HB2 ALA 10 HB2 ALA 10 -2.377 14.010 -2.959 78 HB3 ALA 10 HB3 ALA 10 -3.734 15.132 -3.061 79 H ALA 11 H ALA 11 -0.418 14.730 -5.326 80 HA ALA 11 HA ALA 11 -0.255 17.588 -4.776 81 HB1 ALA 11 HB1 ALA 11 1.388 16.218 -3.688 82 HB2 ALA 11 HB2 ALA 11 1.883 15.512 -5.227 83 HB3 ALA 11 HB3 ALA 11 2.198 17.216 -4.896 84 H HIS 12 H HIS 12 -0.707 15.616 -7.432 85 HA HIS 12 HA HIS 12 0.814 17.202 -9.318 86 HB2 HIS 12 HB2 HIS 12 -0.486 14.628 -9.320 87 HB3 HIS 12 HB3 HIS 12 -1.000 15.568 -10.718 88 HD1 HIS 12 HD1 HIS 12 0.528 15.516 -12.670 89 HD2 HIS 12 HD2 HIS 12 2.461 14.446 -9.152 90 HE1 HIS 12 HE1 HIS 12 2.843 14.816 -13.361 91 HB2 I4G 13 HB2 I4G 13 0.795 17.592 -11.405 92 HB3 I4G 13 HB3 I4G 13 0.177 18.822 -12.510 93 HG I4G 13 HG I4G 13 0.927 20.076 -9.974 94 HD13 I4G 13 HD13 I4G 13 3.144 18.459 -11.351 95 HD11 I4G 13 HD11 I4G 13 3.403 19.687 -10.099 96 HD12 I4G 13 HD12 I4G 13 2.542 18.195 -9.709 97 HD23 I4G 13 HD23 I4G 13 0.687 21.248 -12.156 98 HD22 I4G 13 HD22 I4G 13 2.056 20.334 -12.810 99 HD21 I4G 13 HD21 I4G 13 2.307 21.487 -11.486 100 HA2 I4G 13 HA2 I4G 13 -2.647 19.832 -10.474 101 HA3 I4G 13 HA3 I4G 13 -1.286 20.643 -11.273 102 H VAL 14 H VAL 14 -4.281 19.729 -11.682 103 HA VAL 14 HA VAL 14 -3.948 18.971 -14.505 104 HB VAL 14 HB VAL 14 -5.390 17.530 -13.007 105 HG11 VAL 14 HG11 VAL 14 -7.497 19.632 -13.303 106 HG12 VAL 14 HG12 VAL 14 -7.429 18.262 -12.192 107 HG13 VAL 14 HG13 VAL 14 -6.394 19.666 -11.928 108 HG21 VAL 14 HG21 VAL 14 -6.745 16.949 -14.762 109 HG22 VAL 14 HG22 VAL 14 -7.103 18.623 -15.186 110 HG23 VAL 14 HG23 VAL 14 -5.540 17.923 -15.604 111 H GLY 15 H GLY 15 -4.132 21.691 -12.815 112 HA2 GLY 15 HA2 GLY 15 -6.294 23.138 -13.873 113 HA3 GLY 15 HA3 GLY 15 -4.801 23.839 -13.266 114 H ALA 16 H ALA 16 -3.035 22.609 -15.126 115 HA ALA 16 HA ALA 16 -2.984 24.471 -17.169 116 HB1 ALA 16 HB1 ALA 16 -1.854 21.837 -17.844 117 HB2 ALA 16 HB2 ALA 16 -1.103 23.433 -17.848 118 HB3 ALA 16 HB3 ALA 16 -1.290 22.550 -16.333 119 H ILE 17 H ILE 17 -3.955 21.049 -17.485 120 HA ILE 17 HA ILE 17 -4.889 21.237 -20.115 121 HB ILE 17 HB ILE 17 -5.816 19.347 -17.949 122 HG12 ILE 17 HG12 ILE 17 -3.766 18.846 -20.107 123 HG13 ILE 17 HG13 ILE 17 -3.333 19.412 -18.497 124 HG21 ILE 17 HG21 ILE 17 -6.762 19.746 -20.594 125 HG22 ILE 17 HG22 ILE 17 -5.910 18.204 -20.544 126 HG23 ILE 17 HG23 ILE 17 -7.241 18.512 -19.429 127 HD11 ILE 17 HD11 ILE 17 -3.308 16.858 -19.126 128 HD12 ILE 17 HD12 ILE 17 -3.795 17.409 -17.523 129 HD13 ILE 17 HD13 ILE 17 -5.019 16.982 -18.718 130 H ALA 18 H ALA 18 -6.536 21.733 -17.033 131 HA ALA 18 HA ALA 18 -9.164 21.896 -17.935 132 HB1 ALA 18 HB1 ALA 18 -9.160 21.916 -15.675 133 HB2 ALA 18 HB2 ALA 18 -7.682 22.874 -15.576 134 HB3 ALA 18 HB3 ALA 18 -9.222 23.662 -15.918 135 H GLU 19 H GLU 19 -6.555 24.204 -18.140 136 HA GLU 19 HA GLU 19 -8.188 26.457 -18.786 137 HB2 GLU 19 HB2 GLU 19 -5.510 26.051 -18.141 138 HB3 GLU 19 HB3 GLU 19 -5.473 26.599 -19.812 139 HG2 GLU 19 HG2 GLU 19 -7.293 28.239 -18.373 140 HG3 GLU 19 HG3 GLU 19 -5.788 28.132 -17.461 141 H HIS 20 H HIS 20 -6.966 23.774 -20.546 142 HA HIS 20 HA HIS 20 -7.278 25.078 -23.130 143 HB2 HIS 20 HB2 HIS 20 -5.879 22.752 -22.129 144 HB3 HIS 20 HB3 HIS 20 -6.853 22.337 -23.536 145 HD1 HIS 20 HD1 HIS 20 -6.488 24.383 -25.523 146 HD2 HIS 20 HD2 HIS 20 -3.400 23.452 -22.904 147 HE1 HIS 20 HE1 HIS 20 -4.388 25.194 -26.644 148 H PHE 21 H PHE 21 -8.962 22.875 -21.029 149 HA PHE 21 HA PHE 21 -10.866 22.098 -23.073 150 HB2 PHE 21 HB2 PHE 21 -10.176 21.221 -20.366 151 HB3 PHE 21 HB3 PHE 21 -11.911 21.246 -20.668 152 HD1 PHE 21 HD2 PHE 21 -12.851 19.904 -22.535 153 HD2 PHE 21 HD1 PHE 21 -8.783 19.577 -21.327 154 HE1 PHE 21 HE2 PHE 21 -12.677 17.752 -23.715 155 HE2 PHE 21 HE1 PHE 21 -8.602 17.425 -22.506 156 HZ PHE 21 HZ PHE 21 -10.551 16.509 -23.701 157 HN1 NH2 22 HN1 NH2 22 -10.509 24.476 -20.362 158 HN2 NH2 22 HN2 NH2 22 -12.122 25.239 -20.506 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -1.955 -1.328 -4.575 2 HA2 GLY 1 HA2 GLY 1 -3.165 0.438 -2.638 3 HA3 GLY 1 HA3 GLY 1 -1.480 -0.059 -2.691 4 H LEU 2 H LEU 2 -3.660 1.757 -4.855 5 HA LEU 2 HA LEU 2 -1.502 3.619 -5.433 6 HB2 LEU 2 HB2 LEU 2 -4.308 3.700 -6.509 7 HB3 LEU 2 HB3 LEU 2 -2.862 4.443 -7.191 8 HG LEU 2 HG LEU 2 -2.109 1.886 -7.330 9 HD11 LEU 2 HD11 LEU 2 -3.725 0.384 -7.114 10 HD12 LEU 2 HD12 LEU 2 -4.753 1.256 -8.249 11 HD13 LEU 2 HD13 LEU 2 -4.786 1.668 -6.535 12 HD21 LEU 2 HD21 LEU 2 -2.207 3.505 -9.173 13 HD22 LEU 2 HD22 LEU 2 -3.943 3.228 -9.315 14 HD23 LEU 2 HD23 LEU 2 -2.810 1.919 -9.655 15 H PHE 3 H PHE 3 -4.063 3.357 -3.263 16 HA PHE 3 HA PHE 3 -5.072 5.925 -3.036 17 HB2 PHE 3 HB2 PHE 3 -4.799 3.598 -1.241 18 HB3 PHE 3 HB3 PHE 3 -4.998 5.149 -0.431 19 HD1 PHE 3 HD2 PHE 3 -6.458 3.910 -3.620 20 HD2 PHE 3 HD1 PHE 3 -7.159 5.157 0.389 21 HE1 PHE 3 HE2 PHE 3 -8.884 3.799 -4.013 22 HE2 PHE 3 HE1 PHE 3 -9.586 5.047 0.003 23 HZ PHE 3 HZ PHE 3 -10.452 4.369 -2.201 24 H GLY 4 H GLY 4 -1.959 4.682 -2.126 25 HA2 GLY 4 HA2 GLY 4 -1.320 7.088 -0.591 26 HA3 GLY 4 HA3 GLY 4 -0.313 5.656 -0.742 27 H VAL 5 H VAL 5 -1.008 5.911 -3.772 28 HA VAL 5 HA VAL 5 1.318 7.568 -4.368 29 HB VAL 5 HB VAL 5 -0.289 5.885 -6.291 30 HG11 VAL 5 HG11 VAL 5 2.468 7.097 -6.423 31 HG12 VAL 5 HG12 VAL 5 1.835 5.934 -7.590 32 HG13 VAL 5 HG13 VAL 5 1.069 7.513 -7.412 33 HG21 VAL 5 HG21 VAL 5 1.588 4.232 -5.993 34 HG22 VAL 5 HG22 VAL 5 2.072 5.154 -4.570 35 HG23 VAL 5 HG23 VAL 5 0.488 4.382 -4.622 36 H LEU 6 H LEU 6 -2.136 7.556 -4.734 37 HA LEU 6 HA LEU 6 -2.421 9.407 -6.816 38 HB2 LEU 6 HB2 LEU 6 -4.267 8.066 -5.967 39 HB3 LEU 6 HB3 LEU 6 -4.198 8.924 -4.429 40 HG LEU 6 HG LEU 6 -4.589 10.971 -6.193 41 HD11 LEU 6 HD11 LEU 6 -5.824 8.486 -7.302 42 HD12 LEU 6 HD12 LEU 6 -5.005 9.802 -8.142 43 HD13 LEU 6 HD13 LEU 6 -6.628 10.044 -7.496 44 HD21 LEU 6 HD21 LEU 6 -5.735 10.548 -4.047 45 HD22 LEU 6 HD22 LEU 6 -6.739 9.340 -4.848 46 HD23 LEU 6 HD23 LEU 6 -6.842 11.033 -5.331 47 H ALA 7 H ALA 7 -2.128 9.885 -3.318 48 HA ALA 7 HA ALA 7 -2.472 12.691 -3.358 49 HB1 ALA 7 HB1 ALA 7 -2.792 11.626 -1.287 50 HB2 ALA 7 HB2 ALA 7 -1.228 10.815 -1.368 51 HB3 ALA 7 HB3 ALA 7 -1.305 12.556 -1.102 52 H LYS 8 H LYS 8 0.227 10.634 -4.046 53 HA LYS 8 HA LYS 8 2.285 12.560 -3.658 54 HB2 LYS 8 HB2 LYS 8 2.075 9.820 -4.537 55 HB3 LYS 8 HB3 LYS 8 3.146 10.719 -5.603 56 HG2 LYS 8 HG2 LYS 8 4.194 11.552 -3.356 57 HG3 LYS 8 HG3 LYS 8 3.437 10.096 -2.706 58 HD2 LYS 8 HD2 LYS 8 5.252 10.099 -5.112 59 HD3 LYS 8 HD3 LYS 8 5.818 9.819 -3.464 60 HE2 LYS 8 HE2 LYS 8 3.664 8.192 -4.801 61 HE3 LYS 8 HE3 LYS 8 5.369 7.744 -4.795 62 HZ1 LYS 8 HZ1 LYS 8 4.324 8.355 -2.185 63 HZ2 LYS 8 HZ2 LYS 8 5.244 7.032 -2.699 64 HZ3 LYS 8 HZ3 LYS 8 3.566 7.031 -2.915 65 H VAL 9 H VAL 9 0.089 11.840 -6.251 66 HA VAL 9 HA VAL 9 1.573 13.344 -8.225 67 HB VAL 9 HB VAL 9 -1.270 12.348 -8.421 68 HG11 VAL 9 HG11 VAL 9 -0.887 12.454 -10.823 69 HG12 VAL 9 HG12 VAL 9 -0.620 14.032 -10.080 70 HG13 VAL 9 HG13 VAL 9 0.756 13.033 -10.548 71 HG21 VAL 9 HG21 VAL 9 -0.384 10.361 -9.497 72 HG22 VAL 9 HG22 VAL 9 1.265 10.940 -9.258 73 HG23 VAL 9 HG23 VAL 9 0.271 10.510 -7.866 74 H ALA 10 H ALA 10 -1.049 13.877 -5.990 75 HA ALA 10 HA ALA 10 -2.189 16.173 -7.116 76 HB1 ALA 10 HB1 ALA 10 -2.567 14.667 -4.813 77 HB2 ALA 10 HB2 ALA 10 -2.153 16.279 -4.228 78 HB3 ALA 10 HB3 ALA 10 -3.511 16.064 -5.331 79 H ALA 11 H ALA 11 0.847 15.702 -5.596 80 HA ALA 11 HA ALA 11 1.236 18.424 -4.762 81 HB1 ALA 11 HB1 ALA 11 3.450 16.451 -5.198 82 HB2 ALA 11 HB2 ALA 11 3.343 17.762 -4.022 83 HB3 ALA 11 HB3 ALA 11 2.359 16.313 -3.818 84 H HIS 12 H HIS 12 1.100 17.019 -7.743 85 HA HIS 12 HA HIS 12 2.969 18.984 -8.897 86 HB2 HIS 12 HB2 HIS 12 2.727 16.157 -9.338 87 HB3 HIS 12 HB3 HIS 12 2.369 17.012 -10.835 88 HD1 HIS 12 HD1 HIS 12 4.337 19.146 -11.077 89 HD2 HIS 12 HD2 HIS 12 5.340 15.513 -9.327 90 HE1 HIS 12 HE1 HIS 12 6.841 18.984 -11.251 91 HB2 I4G 13 HB2 I4G 13 1.150 22.093 -8.510 92 HB3 I4G 13 HB3 I4G 13 1.850 20.611 -7.856 93 HG I4G 13 HG I4G 13 3.404 20.657 -9.987 94 HD13 I4G 13 HD13 I4G 13 2.495 23.590 -9.905 95 HD11 I4G 13 HD11 I4G 13 3.860 22.969 -10.851 96 HD12 I4G 13 HD12 I4G 13 2.213 22.458 -11.235 97 HD23 I4G 13 HD23 I4G 13 4.197 21.036 -7.659 98 HD22 I4G 13 HD22 I4G 13 3.736 22.742 -7.767 99 HD21 I4G 13 HD21 I4G 13 5.034 22.106 -8.792 100 HA2 I4G 13 HA2 I4G 13 -1.104 21.165 -9.513 101 HA3 I4G 13 HA3 I4G 13 0.002 22.067 -10.566 102 H VAL 14 H VAL 14 -2.741 20.826 -10.735 103 HA VAL 14 HA VAL 14 -2.366 19.859 -13.467 104 HB VAL 14 HB VAL 14 -4.203 18.399 -11.574 105 HG11 VAL 14 HG11 VAL 14 -3.913 16.655 -13.451 106 HG12 VAL 14 HG12 VAL 14 -4.956 18.047 -13.748 107 HG13 VAL 14 HG13 VAL 14 -3.322 18.010 -14.411 108 HG21 VAL 14 HG21 VAL 14 -1.391 17.700 -12.403 109 HG22 VAL 14 HG22 VAL 14 -1.976 18.014 -10.769 110 HG23 VAL 14 HG23 VAL 14 -2.509 16.574 -11.635 111 H GLY 15 H GLY 15 -3.157 22.326 -13.122 112 HA2 GLY 15 HA2 GLY 15 -6.055 22.481 -12.888 113 HA3 GLY 15 HA3 GLY 15 -4.951 23.832 -13.100 114 H ALA 16 H ALA 16 -3.733 23.663 -15.326 115 HA ALA 16 HA ALA 16 -5.543 24.192 -17.339 116 HB1 ALA 16 HB1 ALA 16 -2.918 23.051 -18.129 117 HB2 ALA 16 HB2 ALA 16 -3.746 24.497 -18.707 118 HB3 ALA 16 HB3 ALA 16 -2.924 24.516 -17.147 119 H ILE 17 H ILE 17 -3.824 21.150 -16.693 120 HA ILE 17 HA ILE 17 -4.759 19.690 -18.876 121 HB ILE 17 HB ILE 17 -4.176 18.610 -16.117 122 HG12 ILE 17 HG12 ILE 17 -2.329 19.035 -18.476 123 HG13 ILE 17 HG13 ILE 17 -2.311 19.956 -16.976 124 HG21 ILE 17 HG21 ILE 17 -4.086 17.257 -18.811 125 HG22 ILE 17 HG22 ILE 17 -3.704 16.518 -17.256 126 HG23 ILE 17 HG23 ILE 17 -5.351 17.045 -17.601 127 HD11 ILE 17 HD11 ILE 17 -1.439 17.152 -17.486 128 HD12 ILE 17 HD12 ILE 17 -0.592 18.463 -16.664 129 HD13 ILE 17 HD13 ILE 17 -1.935 17.645 -15.867 130 H ALA 18 H ALA 18 -6.246 20.346 -15.757 131 HA ALA 18 HA ALA 18 -8.452 18.550 -16.203 132 HB1 ALA 18 HB1 ALA 18 -9.028 18.948 -14.054 133 HB2 ALA 18 HB2 ALA 18 -7.368 19.537 -13.961 134 HB3 ALA 18 HB3 ALA 18 -8.698 20.677 -14.169 135 H GLU 19 H GLU 19 -7.738 21.894 -16.811 136 HA GLU 19 HA GLU 19 -10.459 22.719 -17.171 137 HB2 GLU 19 HB2 GLU 19 -8.208 24.093 -16.707 138 HB3 GLU 19 HB3 GLU 19 -8.249 24.231 -18.459 139 HG2 GLU 19 HG2 GLU 19 -9.335 26.141 -17.649 140 HG3 GLU 19 HG3 GLU 19 -10.619 25.070 -18.206 141 H HIS 20 H HIS 20 -8.101 21.145 -19.106 142 HA HIS 20 HA HIS 20 -9.226 21.893 -21.646 143 HB2 HIS 20 HB2 HIS 20 -6.973 20.254 -20.692 144 HB3 HIS 20 HB3 HIS 20 -7.726 19.675 -22.175 145 HD1 HIS 20 HD1 HIS 20 -7.896 21.571 -24.133 146 HD2 HIS 20 HD2 HIS 20 -5.175 22.251 -21.067 147 HE1 HIS 20 HE1 HIS 20 -6.306 23.307 -25.018 148 H PHE 21 H PHE 21 -9.529 19.217 -19.399 149 HA PHE 21 HA PHE 21 -11.403 17.886 -21.228 150 HB2 PHE 21 HB2 PHE 21 -9.799 16.920 -18.874 151 HB3 PHE 21 HB3 PHE 21 -11.184 16.006 -19.464 152 HD1 PHE 21 HD2 PHE 21 -11.180 15.312 -21.920 153 HD2 PHE 21 HD1 PHE 21 -7.713 16.680 -19.865 154 HE1 PHE 21 HE2 PHE 21 -9.756 14.255 -23.626 155 HE2 PHE 21 HE1 PHE 21 -6.283 15.626 -21.568 156 HZ PHE 21 HZ PHE 21 -7.305 14.411 -23.451 157 HN1 NH2 22 HN1 NH2 22 -11.947 20.458 -19.581 158 HN2 NH2 22 HN2 NH2 22 -13.354 20.065 -18.546 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -1.683 -1.274 -2.566 2 HA2 GLY 1 HA2 GLY 1 -2.957 -0.351 -4.264 3 HA3 GLY 1 HA3 GLY 1 -3.771 0.409 -2.905 4 H LEU 2 H LEU 2 -3.783 1.673 -5.306 5 HA LEU 2 HA LEU 2 -1.617 3.563 -5.485 6 HB2 LEU 2 HB2 LEU 2 -4.278 3.740 -6.870 7 HB3 LEU 2 HB3 LEU 2 -2.747 4.458 -7.364 8 HG LEU 2 HG LEU 2 -2.085 1.848 -7.443 9 HD11 LEU 2 HD11 LEU 2 -4.597 1.453 -8.796 10 HD12 LEU 2 HD12 LEU 2 -4.848 1.767 -7.079 11 HD13 LEU 2 HD13 LEU 2 -3.798 0.445 -7.589 12 HD21 LEU 2 HD21 LEU 2 -1.655 3.333 -9.247 13 HD22 LEU 2 HD22 LEU 2 -3.377 3.551 -9.565 14 HD23 LEU 2 HD23 LEU 2 -2.608 1.998 -9.897 15 H PHE 3 H PHE 3 -4.413 3.308 -3.627 16 HA PHE 3 HA PHE 3 -5.389 5.893 -3.448 17 HB2 PHE 3 HB2 PHE 3 -5.368 3.518 -1.694 18 HB3 PHE 3 HB3 PHE 3 -5.628 5.053 -0.873 19 HD1 PHE 3 HD2 PHE 3 -6.738 3.922 -4.238 20 HD2 PHE 3 HD1 PHE 3 -7.867 5.090 -0.303 21 HE1 PHE 3 HE2 PHE 3 -9.105 3.875 -4.907 22 HE2 PHE 3 HE1 PHE 3 -10.236 5.044 -0.966 23 HZ PHE 3 HZ PHE 3 -10.858 4.436 -3.270 24 H GLY 4 H GLY 4 -2.425 4.555 -2.223 25 HA2 GLY 4 HA2 GLY 4 -1.916 6.909 -0.563 26 HA3 GLY 4 HA3 GLY 4 -0.928 5.457 -0.637 27 H VAL 5 H VAL 5 -1.265 5.798 -3.717 28 HA VAL 5 HA VAL 5 1.143 7.420 -4.002 29 HB VAL 5 HB VAL 5 -0.256 5.807 -6.135 30 HG11 VAL 5 HG11 VAL 5 2.319 5.817 -6.841 31 HG12 VAL 5 HG12 VAL 5 1.189 7.076 -7.340 32 HG13 VAL 5 HG13 VAL 5 2.266 7.348 -5.969 33 HG21 VAL 5 HG21 VAL 5 1.878 4.997 -4.172 34 HG22 VAL 5 HG22 VAL 5 0.296 4.257 -4.418 35 HG23 VAL 5 HG23 VAL 5 1.542 4.110 -5.658 36 H LEU 6 H LEU 6 -2.245 7.512 -4.711 37 HA LEU 6 HA LEU 6 -2.182 9.473 -6.757 38 HB2 LEU 6 HB2 LEU 6 -4.141 7.988 -5.330 39 HB3 LEU 6 HB3 LEU 6 -4.583 9.692 -5.257 40 HG LEU 6 HG LEU 6 -4.093 8.115 -7.782 41 HD11 LEU 6 HD11 LEU 6 -6.333 7.808 -7.999 42 HD12 LEU 6 HD12 LEU 6 -6.737 9.254 -7.074 43 HD13 LEU 6 HD13 LEU 6 -6.225 7.787 -6.238 44 HD21 LEU 6 HD21 LEU 6 -4.012 10.890 -7.308 45 HD22 LEU 6 HD22 LEU 6 -5.536 10.558 -8.132 46 HD23 LEU 6 HD23 LEU 6 -4.011 10.052 -8.860 47 H ALA 7 H ALA 7 -2.309 9.629 -3.248 48 HA ALA 7 HA ALA 7 -2.937 12.350 -2.969 49 HB1 ALA 7 HB1 ALA 7 -2.433 10.246 -1.255 50 HB2 ALA 7 HB2 ALA 7 -1.118 11.375 -0.927 51 HB3 ALA 7 HB3 ALA 7 -2.792 11.909 -0.789 52 H LYS 8 H LYS 8 0.016 10.739 -3.818 53 HA LYS 8 HA LYS 8 1.722 12.989 -3.261 54 HB2 LYS 8 HB2 LYS 8 2.040 10.232 -4.153 55 HB3 LYS 8 HB3 LYS 8 3.093 11.341 -5.023 56 HG2 LYS 8 HG2 LYS 8 3.156 11.932 -2.218 57 HG3 LYS 8 HG3 LYS 8 3.494 10.221 -2.489 58 HD2 LYS 8 HD2 LYS 8 4.849 12.276 -4.181 59 HD3 LYS 8 HD3 LYS 8 5.434 11.976 -2.543 60 HE2 LYS 8 HE2 LYS 8 4.932 9.559 -4.131 61 HE3 LYS 8 HE3 LYS 8 6.214 10.595 -4.756 62 HZ1 LYS 8 HZ1 LYS 8 6.270 8.849 -2.535 63 HZ2 LYS 8 HZ2 LYS 8 6.605 10.426 -2.022 64 HZ3 LYS 8 HZ3 LYS 8 7.542 9.715 -3.238 65 H VAL 9 H VAL 9 -0.167 11.853 -5.934 66 HA VAL 9 HA VAL 9 1.157 13.219 -8.023 67 HB VAL 9 HB VAL 9 -1.775 12.507 -7.868 68 HG11 VAL 9 HG11 VAL 9 -1.709 12.539 -10.288 69 HG12 VAL 9 HG12 VAL 9 -1.169 14.096 -9.655 70 HG13 VAL 9 HG13 VAL 9 0.010 12.932 -10.262 71 HG21 VAL 9 HG21 VAL 9 -0.288 10.579 -7.433 72 HG22 VAL 9 HG22 VAL 9 -1.197 10.419 -8.936 73 HG23 VAL 9 HG23 VAL 9 0.505 10.875 -8.980 74 H ALA 10 H ALA 10 -1.185 14.216 -5.637 75 HA ALA 10 HA ALA 10 -2.142 16.553 -6.845 76 HB1 ALA 10 HB1 ALA 10 -2.282 15.313 -4.268 77 HB2 ALA 10 HB2 ALA 10 -1.997 17.045 -4.082 78 HB3 ALA 10 HB3 ALA 10 -3.385 16.473 -5.009 79 H ALA 11 H ALA 11 0.935 15.819 -5.525 80 HA ALA 11 HA ALA 11 1.701 18.531 -4.948 81 HB1 ALA 11 HB1 ALA 11 3.817 17.665 -4.369 82 HB2 ALA 11 HB2 ALA 11 2.644 16.460 -3.838 83 HB3 ALA 11 HB3 ALA 11 3.564 16.201 -5.320 84 H HIS 12 H HIS 12 1.159 16.944 -7.779 85 HA HIS 12 HA HIS 12 3.175 18.542 -9.218 86 HB2 HIS 12 HB2 HIS 12 2.529 15.751 -9.403 87 HB3 HIS 12 HB3 HIS 12 2.165 16.534 -10.938 88 HD1 HIS 12 HD1 HIS 12 4.361 18.332 -11.532 89 HD2 HIS 12 HD2 HIS 12 5.035 14.778 -9.489 90 HE1 HIS 12 HE1 HIS 12 6.801 17.821 -11.860 91 HB2 I4G 13 HB2 I4G 13 1.823 21.893 -8.969 92 HB3 I4G 13 HB3 I4G 13 2.370 20.381 -8.243 93 HG I4G 13 HG I4G 13 3.733 20.060 -10.486 94 HD13 I4G 13 HD13 I4G 13 3.256 23.093 -10.543 95 HD11 I4G 13 HD11 I4G 13 4.439 22.225 -11.540 96 HD12 I4G 13 HD12 I4G 13 2.711 21.940 -11.767 97 HD23 I4G 13 HD23 I4G 13 4.758 20.453 -8.254 98 HD22 I4G 13 HD22 I4G 13 4.535 22.199 -8.446 99 HD21 I4G 13 HD21 I4G 13 5.643 21.321 -9.516 100 HA2 I4G 13 HA2 I4G 13 -0.608 21.215 -9.734 101 HA3 I4G 13 HA3 I4G 13 0.522 21.877 -10.930 102 H VAL 14 H VAL 14 -2.369 20.985 -10.788 103 HA VAL 14 HA VAL 14 -2.348 19.807 -13.462 104 HB VAL 14 HB VAL 14 -4.176 18.711 -11.330 105 HG11 VAL 14 HG11 VAL 14 -5.149 18.315 -13.405 106 HG12 VAL 14 HG12 VAL 14 -3.594 18.035 -14.190 107 HG13 VAL 14 HG13 VAL 14 -4.256 16.827 -13.088 108 HG21 VAL 14 HG21 VAL 14 -2.742 16.720 -11.297 109 HG22 VAL 14 HG22 VAL 14 -1.591 17.537 -12.353 110 HG23 VAL 14 HG23 VAL 14 -1.886 18.152 -10.727 111 H GLY 15 H GLY 15 -2.808 22.371 -13.237 112 HA2 GLY 15 HA2 GLY 15 -5.650 22.877 -12.820 113 HA3 GLY 15 HA3 GLY 15 -4.415 24.082 -13.153 114 H ALA 16 H ALA 16 -3.403 23.822 -15.420 115 HA ALA 16 HA ALA 16 -5.299 24.390 -17.341 116 HB1 ALA 16 HB1 ALA 16 -2.507 24.215 -17.241 117 HB2 ALA 16 HB2 ALA 16 -3.006 23.187 -18.585 118 HB3 ALA 16 HB3 ALA 16 -3.497 24.880 -18.540 119 H ILE 17 H ILE 17 -3.858 21.277 -16.513 120 HA ILE 17 HA ILE 17 -4.797 19.756 -18.649 121 HB ILE 17 HB ILE 17 -4.486 18.843 -15.787 122 HG12 ILE 17 HG12 ILE 17 -2.482 18.820 -18.054 123 HG13 ILE 17 HG13 ILE 17 -2.456 19.935 -16.692 124 HG21 ILE 17 HG21 ILE 17 -3.807 16.803 -17.575 125 HG22 ILE 17 HG22 ILE 17 -5.227 16.888 -16.534 126 HG23 ILE 17 HG23 ILE 17 -5.309 17.494 -18.188 127 HD11 ILE 17 HD11 ILE 17 -1.318 18.479 -15.485 128 HD12 ILE 17 HD12 ILE 17 -2.566 17.254 -15.719 129 HD13 ILE 17 HD13 ILE 17 -1.254 17.411 -16.886 130 H ALA 18 H ALA 18 -6.383 20.663 -15.626 131 HA ALA 18 HA ALA 18 -8.692 19.060 -15.986 132 HB1 ALA 18 HB1 ALA 18 -9.516 20.050 -14.079 133 HB2 ALA 18 HB2 ALA 18 -7.780 20.284 -13.867 134 HB3 ALA 18 HB3 ALA 18 -8.785 21.613 -14.444 135 H GLU 19 H GLU 19 -7.745 22.200 -17.159 136 HA GLU 19 HA GLU 19 -10.372 23.036 -17.931 137 HB2 GLU 19 HB2 GLU 19 -7.877 24.253 -17.708 138 HB3 GLU 19 HB3 GLU 19 -8.213 24.270 -19.434 139 HG2 GLU 19 HG2 GLU 19 -10.492 25.078 -17.813 140 HG3 GLU 19 HG3 GLU 19 -9.081 26.115 -17.608 141 H HIS 20 H HIS 20 -7.964 21.004 -19.295 142 HA HIS 20 HA HIS 20 -8.816 21.267 -22.025 143 HB2 HIS 20 HB2 HIS 20 -7.007 19.320 -20.601 144 HB3 HIS 20 HB3 HIS 20 -7.391 19.170 -22.313 145 HD1 HIS 20 HD1 HIS 20 -7.210 22.187 -23.060 146 HD2 HIS 20 HD2 HIS 20 -4.399 20.121 -20.804 147 HE1 HIS 20 HE1 HIS 20 -5.067 23.479 -23.308 148 H PHE 21 H PHE 21 -9.696 19.316 -19.294 149 HA PHE 21 HA PHE 21 -11.247 17.482 -20.953 150 HB2 PHE 21 HB2 PHE 21 -10.276 17.492 -18.146 151 HB3 PHE 21 HB3 PHE 21 -11.799 16.664 -18.455 152 HD1 PHE 21 HD1 PHE 21 -11.857 14.796 -20.113 153 HD2 PHE 21 HD2 PHE 21 -8.218 16.532 -18.752 154 HE1 PHE 21 HE1 PHE 21 -10.624 12.818 -20.900 155 HE2 PHE 21 HE2 PHE 21 -6.978 14.558 -19.537 156 HZ PHE 21 HZ PHE 21 -8.180 12.698 -20.614 157 HN1 NH2 22 HN1 NH2 22 -11.632 20.629 -19.726 158 HN2 NH2 22 HN2 NH2 22 -13.399 20.657 -19.436 Start of MODEL 10 1 H1 GLY 1 H GLY 1 0.276 -0.776 -0.074 2 HA2 GLY 1 HA2 GLY 1 -1.454 0.175 -1.347 3 HA3 GLY 1 HA3 GLY 1 -1.550 1.105 0.141 4 H LEU 2 H LEU 2 -0.659 1.126 -3.203 5 HA LEU 2 HA LEU 2 0.378 3.841 -3.072 6 HB2 LEU 2 HB2 LEU 2 -0.119 2.200 -5.542 7 HB3 LEU 2 HB3 LEU 2 0.952 3.588 -5.359 8 HG LEU 2 HG LEU 2 2.143 1.960 -3.630 9 HD11 LEU 2 HD11 LEU 2 1.518 -0.163 -3.704 10 HD12 LEU 2 HD12 LEU 2 1.781 -0.210 -5.447 11 HD13 LEU 2 HD13 LEU 2 0.212 0.276 -4.805 12 HD21 LEU 2 HD21 LEU 2 3.355 1.058 -5.830 13 HD22 LEU 2 HD22 LEU 2 3.553 2.709 -5.241 14 HD23 LEU 2 HD23 LEU 2 2.419 2.369 -6.549 15 H PHE 3 H PHE 3 -2.605 2.320 -3.416 16 HA PHE 3 HA PHE 3 -3.972 3.842 -5.282 17 HB2 PHE 3 HB2 PHE 3 -4.710 2.249 -2.908 18 HB3 PHE 3 HB3 PHE 3 -5.893 3.458 -3.396 19 HD1 PHE 3 HD1 PHE 3 -3.626 1.359 -5.466 20 HD2 PHE 3 HD2 PHE 3 -7.632 2.282 -4.363 21 HE1 PHE 3 HE1 PHE 3 -4.454 -0.163 -7.213 22 HE2 PHE 3 HE2 PHE 3 -8.466 0.761 -6.108 23 HZ PHE 3 HZ PHE 3 -6.877 -0.464 -7.535 24 H GLY 4 H GLY 4 -2.875 4.700 -2.099 25 HA2 GLY 4 HA2 GLY 4 -4.480 7.145 -2.081 26 HA3 GLY 4 HA3 GLY 4 -3.480 6.550 -0.764 27 H VAL 5 H VAL 5 -1.371 6.119 -3.020 28 HA VAL 5 HA VAL 5 -0.170 8.752 -2.673 29 HB VAL 5 HB VAL 5 1.063 6.317 -3.962 30 HG11 VAL 5 HG11 VAL 5 2.092 8.970 -3.039 31 HG12 VAL 5 HG12 VAL 5 3.158 7.564 -3.074 32 HG13 VAL 5 HG13 VAL 5 2.384 8.123 -4.558 33 HG21 VAL 5 HG21 VAL 5 0.600 5.545 -1.820 34 HG22 VAL 5 HG22 VAL 5 2.235 6.188 -1.661 35 HG23 VAL 5 HG23 VAL 5 0.858 7.128 -1.086 36 H LEU 6 H LEU 6 -1.488 6.705 -5.177 37 HA LEU 6 HA LEU 6 -0.441 8.064 -7.415 38 HB2 LEU 6 HB2 LEU 6 -2.487 6.051 -6.886 39 HB3 LEU 6 HB3 LEU 6 -2.868 7.092 -8.256 40 HG LEU 6 HG LEU 6 -1.755 5.028 -8.954 41 HD11 LEU 6 HD11 LEU 6 0.279 7.157 -9.398 42 HD12 LEU 6 HD12 LEU 6 -1.365 7.409 -9.983 43 HD13 LEU 6 HD13 LEU 6 -0.435 6.019 -10.541 44 HD21 LEU 6 HD21 LEU 6 0.910 5.621 -8.106 45 HD22 LEU 6 HD22 LEU 6 -0.046 4.165 -7.833 46 HD23 LEU 6 HD23 LEU 6 -0.142 5.510 -6.696 47 H ALA 7 H ALA 7 -3.178 8.675 -5.336 48 HA ALA 7 HA ALA 7 -4.494 10.542 -7.030 49 HB1 ALA 7 HB1 ALA 7 -6.005 9.926 -5.487 50 HB2 ALA 7 HB2 ALA 7 -4.775 9.591 -4.267 51 HB3 ALA 7 HB3 ALA 7 -5.314 11.247 -4.544 52 H LYS 8 H LYS 8 -2.013 10.804 -4.551 53 HA LYS 8 HA LYS 8 -2.042 13.599 -4.248 54 HB2 LYS 8 HB2 LYS 8 -0.386 11.387 -3.410 55 HB3 LYS 8 HB3 LYS 8 0.613 12.752 -3.890 56 HG2 LYS 8 HG2 LYS 8 -1.697 13.254 -2.088 57 HG3 LYS 8 HG3 LYS 8 -0.254 12.484 -1.425 58 HD2 LYS 8 HD2 LYS 8 0.249 14.698 -1.081 59 HD3 LYS 8 HD3 LYS 8 0.975 14.444 -2.670 60 HE2 LYS 8 HE2 LYS 8 -0.856 15.478 -3.767 61 HE3 LYS 8 HE3 LYS 8 -1.830 15.469 -2.298 62 HZ1 LYS 8 HZ1 LYS 8 -0.983 17.663 -2.676 63 HZ2 LYS 8 HZ2 LYS 8 0.605 17.093 -2.796 64 HZ3 LYS 8 HZ3 LYS 8 -0.209 17.021 -1.315 65 H VAL 9 H VAL 9 -0.574 11.510 -6.634 66 HA VAL 9 HA VAL 9 1.083 13.571 -7.770 67 HB VAL 9 HB VAL 9 0.305 10.907 -8.965 68 HG11 VAL 9 HG11 VAL 9 2.249 11.178 -10.370 69 HG12 VAL 9 HG12 VAL 9 1.192 12.579 -10.558 70 HG13 VAL 9 HG13 VAL 9 2.652 12.700 -9.576 71 HG21 VAL 9 HG21 VAL 9 1.391 10.704 -6.749 72 HG22 VAL 9 HG22 VAL 9 2.364 10.034 -8.059 73 HG23 VAL 9 HG23 VAL 9 2.770 11.608 -7.374 74 H ALA 10 H ALA 10 -2.117 12.287 -8.311 75 HA ALA 10 HA ALA 10 -2.559 13.295 -10.902 76 HB1 ALA 10 HB1 ALA 10 -4.654 12.491 -10.674 77 HB2 ALA 10 HB2 ALA 10 -3.968 11.705 -9.252 78 HB3 ALA 10 HB3 ALA 10 -4.873 13.209 -9.078 79 H ALA 11 H ALA 11 -2.343 14.859 -7.865 80 HA ALA 11 HA ALA 11 -3.825 17.209 -8.747 81 HB1 ALA 11 HB1 ALA 11 -2.349 16.829 -6.149 82 HB2 ALA 11 HB2 ALA 11 -3.587 18.029 -6.522 83 HB3 ALA 11 HB3 ALA 11 -4.018 16.323 -6.413 84 H HIS 12 H HIS 12 -0.718 16.015 -9.014 85 HA HIS 12 HA HIS 12 0.654 18.559 -8.812 86 HB2 HIS 12 HB2 HIS 12 1.409 15.776 -8.876 87 HB3 HIS 12 HB3 HIS 12 2.335 16.683 -10.069 88 HD1 HIS 12 HD1 HIS 12 4.334 17.870 -9.205 89 HD2 HIS 12 HD2 HIS 12 1.623 16.984 -6.184 90 HE1 HIS 12 HE1 HIS 12 5.461 18.561 -7.066 91 HB2 I4G 13 HB2 I4G 13 2.464 19.417 -9.517 92 HB3 I4G 13 HB3 I4G 13 3.005 20.443 -10.848 93 HG I4G 13 HG I4G 13 0.271 21.161 -10.019 94 HD13 I4G 13 HD13 I4G 13 2.458 21.344 -7.871 95 HD11 I4G 13 HD11 I4G 13 0.874 22.137 -7.788 96 HD12 I4G 13 HD12 I4G 13 0.983 20.375 -7.762 97 HD23 I4G 13 HD23 I4G 13 1.769 22.590 -11.398 98 HD22 I4G 13 HD22 I4G 13 2.908 22.720 -10.048 99 HD21 I4G 13 HD21 I4G 13 1.288 23.427 -9.916 100 HA2 I4G 13 HA2 I4G 13 2.078 20.600 -12.769 101 HA3 I4G 13 HA3 I4G 13 1.365 19.102 -13.394 102 H VAL 14 H VAL 14 1.047 21.915 -14.073 103 HA VAL 14 HA VAL 14 -1.798 22.324 -13.499 104 HB VAL 14 HB VAL 14 -0.038 24.204 -15.056 105 HG11 VAL 14 HG11 VAL 14 -1.844 25.495 -15.116 106 HG12 VAL 14 HG12 VAL 14 -2.764 24.181 -14.380 107 HG13 VAL 14 HG13 VAL 14 -2.012 25.411 -13.363 108 HG21 VAL 14 HG21 VAL 14 -0.200 23.775 -12.105 109 HG22 VAL 14 HG22 VAL 14 1.206 24.111 -13.115 110 HG23 VAL 14 HG23 VAL 14 0.062 25.400 -12.739 111 H GLY 15 H GLY 15 -0.150 20.565 -15.617 112 HA2 GLY 15 HA2 GLY 15 -1.355 21.423 -18.095 113 HA3 GLY 15 HA3 GLY 15 -0.391 19.975 -17.848 114 H ALA 16 H ALA 16 -1.836 18.725 -15.839 115 HA ALA 16 HA ALA 16 -3.737 17.289 -17.240 116 HB1 ALA 16 HB1 ALA 16 -4.210 16.182 -15.265 117 HB2 ALA 16 HB2 ALA 16 -2.590 16.811 -14.964 118 HB3 ALA 16 HB3 ALA 16 -3.994 17.629 -14.280 119 H ILE 17 H ILE 17 -4.204 20.075 -15.099 120 HA ILE 17 HA ILE 17 -7.002 20.109 -15.107 121 HB ILE 17 HB ILE 17 -5.181 22.512 -14.950 122 HG12 ILE 17 HG12 ILE 17 -6.201 20.699 -12.752 123 HG13 ILE 17 HG13 ILE 17 -4.537 20.794 -13.318 124 HG21 ILE 17 HG21 ILE 17 -7.023 23.713 -14.668 125 HG22 ILE 17 HG22 ILE 17 -7.996 22.271 -14.955 126 HG23 ILE 17 HG23 ILE 17 -7.504 22.690 -13.314 127 HD11 ILE 17 HD11 ILE 17 -4.730 22.015 -11.278 128 HD12 ILE 17 HD12 ILE 17 -4.491 23.165 -12.594 129 HD13 ILE 17 HD13 ILE 17 -6.098 22.938 -11.902 130 H ALA 18 H ALA 18 -4.673 21.667 -17.279 131 HA ALA 18 HA ALA 18 -6.531 23.087 -18.837 132 HB1 ALA 18 HB1 ALA 18 -4.513 23.882 -19.398 133 HB2 ALA 18 HB2 ALA 18 -3.702 22.359 -19.034 134 HB3 ALA 18 HB3 ALA 18 -4.507 22.580 -20.587 135 H GLU 19 H GLU 19 -5.312 19.789 -19.054 136 HA GLU 19 HA GLU 19 -6.463 19.209 -21.588 137 HB2 GLU 19 HB2 GLU 19 -4.790 17.889 -19.741 138 HB3 GLU 19 HB3 GLU 19 -6.200 16.859 -19.947 139 HG2 GLU 19 HG2 GLU 19 -4.628 17.960 -22.257 140 HG3 GLU 19 HG3 GLU 19 -4.264 16.416 -21.489 141 H HIS 20 H HIS 20 -7.717 19.387 -18.396 142 HA HIS 20 HA HIS 20 -10.001 17.692 -18.900 143 HB2 HIS 20 HB2 HIS 20 -8.859 19.119 -16.605 144 HB3 HIS 20 HB3 HIS 20 -10.620 19.142 -16.646 145 HD1 HIS 20 HD1 HIS 20 -11.334 16.381 -17.543 146 HD2 HIS 20 HD2 HIS 20 -8.213 17.125 -14.903 147 HE1 HIS 20 HE1 HIS 20 -10.986 14.229 -16.289 148 H PHE 21 H PHE 21 -9.238 21.106 -18.971 149 HA PHE 21 HA PHE 21 -12.014 21.866 -19.348 150 HB2 PHE 21 HB2 PHE 21 -9.457 23.282 -18.872 151 HB3 PHE 21 HB3 PHE 21 -10.648 24.144 -19.840 152 HD1 PHE 21 HD2 PHE 21 -9.959 22.651 -16.555 153 HD2 PHE 21 HD1 PHE 21 -12.648 25.002 -18.870 154 HE1 PHE 21 HE2 PHE 21 -11.132 23.327 -14.500 155 HE2 PHE 21 HE1 PHE 21 -13.825 25.682 -16.818 156 HZ PHE 21 HZ PHE 21 -13.068 24.843 -14.630 157 HN1 NH2 22 HN1 NH2 22 -9.111 21.016 -21.271 158 HN2 NH2 22 HN2 NH2 22 -9.743 21.456 -22.887 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -3.135 -0.591 -3.212 2 HA2 GLY 1 HA2 GLY 1 -3.740 1.572 -2.564 3 HA3 GLY 1 HA3 GLY 1 -2.259 1.360 -1.641 4 H LEU 2 H LEU 2 -2.842 1.906 -5.110 5 HA LEU 2 HA LEU 2 -0.753 3.913 -5.139 6 HB2 LEU 2 HB2 LEU 2 -2.520 3.102 -7.431 7 HB3 LEU 2 HB3 LEU 2 -0.931 3.862 -7.502 8 HG LEU 2 HG LEU 2 -0.252 1.583 -6.277 9 HD11 LEU 2 HD11 LEU 2 -1.746 -0.049 -6.393 10 HD12 LEU 2 HD12 LEU 2 -1.942 0.196 -8.127 11 HD13 LEU 2 HD13 LEU 2 -2.926 1.117 -6.990 12 HD21 LEU 2 HD21 LEU 2 -0.356 2.496 -9.066 13 HD22 LEU 2 HD22 LEU 2 -0.146 0.757 -8.858 14 HD23 LEU 2 HD23 LEU 2 0.998 1.878 -8.120 15 H PHE 3 H PHE 3 -4.084 3.848 -4.653 16 HA PHE 3 HA PHE 3 -5.037 6.107 -5.938 17 HB2 PHE 3 HB2 PHE 3 -5.800 4.561 -3.542 18 HB3 PHE 3 HB3 PHE 3 -6.397 6.216 -3.586 19 HD1 PHE 3 HD1 PHE 3 -5.894 3.780 -6.350 20 HD2 PHE 3 HD2 PHE 3 -8.656 6.058 -4.049 21 HE1 PHE 3 HE1 PHE 3 -7.716 3.078 -7.848 22 HE2 PHE 3 HE2 PHE 3 -10.482 5.359 -5.543 23 HZ PHE 3 HZ PHE 3 -10.014 3.867 -7.444 24 H GLY 4 H GLY 4 -2.928 5.847 -3.190 25 HA2 GLY 4 HA2 GLY 4 -3.212 8.689 -2.559 26 HA3 GLY 4 HA3 GLY 4 -2.294 7.508 -1.637 27 H VAL 5 H VAL 5 -1.227 6.659 -4.442 28 HA VAL 5 HA VAL 5 1.079 8.433 -4.321 29 HB VAL 5 HB VAL 5 0.698 6.021 -6.094 30 HG11 VAL 5 HG11 VAL 5 2.491 7.294 -6.913 31 HG12 VAL 5 HG12 VAL 5 3.068 7.683 -5.292 32 HG13 VAL 5 HG13 VAL 5 3.243 6.044 -5.922 33 HG21 VAL 5 HG21 VAL 5 0.424 5.296 -3.817 34 HG22 VAL 5 HG22 VAL 5 2.022 4.803 -4.379 35 HG23 VAL 5 HG23 VAL 5 1.853 6.199 -3.314 36 H LEU 6 H LEU 6 -1.251 7.278 -6.750 37 HA LEU 6 HA LEU 6 -0.298 8.922 -8.845 38 HB2 LEU 6 HB2 LEU 6 -2.461 7.060 -8.401 39 HB3 LEU 6 HB3 LEU 6 -3.004 8.457 -9.329 40 HG LEU 6 HG LEU 6 -2.298 6.535 -10.727 41 HD11 LEU 6 HD11 LEU 6 -2.227 8.470 -11.946 42 HD12 LEU 6 HD12 LEU 6 -0.538 7.973 -12.042 43 HD13 LEU 6 HD13 LEU 6 -1.026 9.221 -10.895 44 HD21 LEU 6 HD21 LEU 6 -0.342 6.086 -9.010 45 HD22 LEU 6 HD22 LEU 6 0.549 7.134 -10.114 46 HD23 LEU 6 HD23 LEU 6 -0.193 5.650 -10.713 47 H ALA 7 H ALA 7 -3.003 9.286 -6.571 48 HA ALA 7 HA ALA 7 -4.100 11.637 -7.517 49 HB1 ALA 7 HB1 ALA 7 -5.178 10.394 -5.773 50 HB2 ALA 7 HB2 ALA 7 -3.831 10.683 -4.672 51 HB3 ALA 7 HB3 ALA 7 -4.856 12.024 -5.181 52 H LYS 8 H LYS 8 -1.212 11.160 -5.581 53 HA LYS 8 HA LYS 8 -0.796 13.814 -4.769 54 HB2 LYS 8 HB2 LYS 8 0.685 11.333 -4.766 55 HB3 LYS 8 HB3 LYS 8 1.739 12.679 -5.178 56 HG2 LYS 8 HG2 LYS 8 -0.085 12.949 -2.842 57 HG3 LYS 8 HG3 LYS 8 1.370 11.961 -2.688 58 HD2 LYS 8 HD2 LYS 8 2.672 13.928 -3.558 59 HD3 LYS 8 HD3 LYS 8 1.194 14.881 -3.416 60 HE2 LYS 8 HE2 LYS 8 1.389 15.056 -1.191 61 HE3 LYS 8 HE3 LYS 8 1.843 13.362 -1.007 62 HZ1 LYS 8 HZ1 LYS 8 3.948 14.759 -2.246 63 HZ2 LYS 8 HZ2 LYS 8 3.942 13.968 -0.751 64 HZ3 LYS 8 HZ3 LYS 8 3.493 15.596 -0.847 65 H VAL 9 H VAL 9 0.180 12.083 -7.694 66 HA VAL 9 HA VAL 9 1.614 14.344 -8.758 67 HB VAL 9 HB VAL 9 0.745 11.824 -10.179 68 HG11 VAL 9 HG11 VAL 9 2.929 13.788 -10.863 69 HG12 VAL 9 HG12 VAL 9 2.459 12.363 -11.792 70 HG13 VAL 9 HG13 VAL 9 1.348 13.725 -11.642 71 HG21 VAL 9 HG21 VAL 9 3.391 12.428 -8.864 72 HG22 VAL 9 HG22 VAL 9 2.143 11.384 -8.183 73 HG23 VAL 9 HG23 VAL 9 2.938 10.939 -9.693 74 H ALA 10 H ALA 10 -1.594 12.995 -9.016 75 HA ALA 10 HA ALA 10 -2.402 14.381 -11.354 76 HB1 ALA 10 HB1 ALA 10 -3.605 12.427 -10.588 77 HB2 ALA 10 HB2 ALA 10 -4.051 13.254 -9.095 78 HB3 ALA 10 HB3 ALA 10 -4.691 13.817 -10.639 79 H ALA 11 H ALA 11 -1.930 15.367 -8.109 80 HA ALA 11 HA ALA 11 -3.638 17.721 -8.400 81 HB1 ALA 11 HB1 ALA 11 -3.978 17.142 -6.256 82 HB2 ALA 11 HB2 ALA 11 -2.453 16.262 -6.143 83 HB3 ALA 11 HB3 ALA 11 -2.472 18.017 -5.972 84 H HIS 12 H HIS 12 -0.494 16.818 -9.068 85 HA HIS 12 HA HIS 12 0.762 19.342 -8.417 86 HB2 HIS 12 HB2 HIS 12 1.637 16.694 -9.154 87 HB3 HIS 12 HB3 HIS 12 2.421 17.897 -10.174 88 HD1 HIS 12 HD1 HIS 12 4.426 18.989 -9.204 89 HD2 HIS 12 HD2 HIS 12 2.011 17.291 -6.281 90 HE1 HIS 12 HE1 HIS 12 5.688 19.262 -7.047 91 HB2 I4G 13 HB2 I4G 13 2.468 20.446 -9.034 92 HB3 I4G 13 HB3 I4G 13 2.851 21.771 -10.134 93 HG I4G 13 HG I4G 13 0.161 22.104 -8.971 94 HD13 I4G 13 HD13 I4G 13 2.523 21.984 -7.012 95 HD11 I4G 13 HD11 I4G 13 0.913 22.627 -6.635 96 HD12 I4G 13 HD12 I4G 13 1.117 20.911 -7.001 97 HD23 I4G 13 HD23 I4G 13 1.450 23.896 -10.119 98 HD22 I4G 13 HD22 I4G 13 2.698 23.817 -8.866 99 HD21 I4G 13 HD21 I4G 13 1.062 24.364 -8.458 100 HA2 I4G 13 HA2 I4G 13 1.538 22.452 -11.747 101 HA3 I4G 13 HA3 I4G 13 1.384 21.017 -12.777 102 H VAL 14 H VAL 14 0.212 23.422 -13.282 103 HA VAL 14 HA VAL 14 -2.629 23.006 -12.685 104 HB VAL 14 HB VAL 14 -1.481 25.360 -14.166 105 HG11 VAL 14 HG11 VAL 14 -3.693 25.699 -14.372 106 HG12 VAL 14 HG12 VAL 14 -4.087 24.592 -13.055 107 HG13 VAL 14 HG13 VAL 14 -3.586 26.245 -12.699 108 HG21 VAL 14 HG21 VAL 14 -1.478 26.540 -11.969 109 HG22 VAL 14 HG22 VAL 14 -1.722 24.979 -11.185 110 HG23 VAL 14 HG23 VAL 14 -0.251 25.281 -12.111 111 H GLY 15 H GLY 15 -0.567 21.859 -14.860 112 HA2 GLY 15 HA2 GLY 15 -2.034 22.415 -17.295 113 HA3 GLY 15 HA3 GLY 15 -0.640 21.357 -17.132 114 H ALA 16 H ALA 16 -1.262 19.414 -15.524 115 HA ALA 16 HA ALA 16 -2.917 17.712 -16.952 116 HB1 ALA 16 HB1 ALA 16 -2.880 16.268 -14.932 117 HB2 ALA 16 HB2 ALA 16 -1.286 16.845 -15.418 118 HB3 ALA 16 HB3 ALA 16 -2.113 17.588 -14.050 119 H ILE 17 H ILE 17 -3.711 20.007 -14.451 120 HA ILE 17 HA ILE 17 -6.213 19.030 -13.668 121 HB ILE 17 HB ILE 17 -5.402 21.933 -13.864 122 HG12 ILE 17 HG12 ILE 17 -5.033 19.960 -11.598 123 HG13 ILE 17 HG13 ILE 17 -3.749 20.625 -12.603 124 HG21 ILE 17 HG21 ILE 17 -7.054 21.348 -11.630 125 HG22 ILE 17 HG22 ILE 17 -7.395 22.391 -13.009 126 HG23 ILE 17 HG23 ILE 17 -7.818 20.681 -13.072 127 HD11 ILE 17 HD11 ILE 17 -4.746 22.908 -11.731 128 HD12 ILE 17 HD12 ILE 17 -5.282 21.878 -10.403 129 HD13 ILE 17 HD13 ILE 17 -3.567 21.984 -10.799 130 H ALA 18 H ALA 18 -5.316 21.222 -16.305 131 HA ALA 18 HA ALA 18 -8.036 21.561 -17.177 132 HB1 ALA 18 HB1 ALA 18 -5.884 23.097 -17.476 133 HB2 ALA 18 HB2 ALA 18 -5.789 22.208 -18.997 134 HB3 ALA 18 HB3 ALA 18 -7.238 23.135 -18.606 135 H GLU 19 H GLU 19 -5.436 19.370 -17.842 136 HA GLU 19 HA GLU 19 -6.464 18.439 -20.355 137 HB2 GLU 19 HB2 GLU 19 -4.036 18.266 -19.140 138 HB3 GLU 19 HB3 GLU 19 -4.676 16.659 -18.828 139 HG2 GLU 19 HG2 GLU 19 -5.120 16.433 -21.264 140 HG3 GLU 19 HG3 GLU 19 -4.295 17.971 -21.506 141 H HIS 20 H HIS 20 -7.083 17.774 -17.044 142 HA HIS 20 HA HIS 20 -8.132 15.129 -17.422 143 HB2 HIS 20 HB2 HIS 20 -7.836 17.026 -15.176 144 HB3 HIS 20 HB3 HIS 20 -9.205 15.925 -15.059 145 HD1 HIS 20 HD1 HIS 20 -8.003 13.353 -16.139 146 HD2 HIS 20 HD2 HIS 20 -5.999 15.895 -13.534 147 HE1 HIS 20 HE1 HIS 20 -6.271 11.926 -15.006 148 H PHE 21 H PHE 21 -9.452 18.387 -17.266 149 HA PHE 21 HA PHE 21 -12.176 17.385 -17.514 150 HB2 PHE 21 HB2 PHE 21 -10.965 20.091 -17.041 151 HB3 PHE 21 HB3 PHE 21 -12.639 19.949 -17.567 152 HD1 PHE 21 HD1 PHE 21 -10.267 18.937 -14.910 153 HD2 PHE 21 HD2 PHE 21 -14.339 19.439 -16.044 154 HE1 PHE 21 HE1 PHE 21 -10.960 18.555 -12.580 155 HE2 PHE 21 HE2 PHE 21 -15.038 19.058 -13.716 156 HZ PHE 21 HZ PHE 21 -13.348 18.616 -11.981 157 HN1 NH2 22 HN1 NH2 22 -9.468 18.601 -19.508 158 HN2 NH2 22 HN2 NH2 22 -10.351 18.777 -21.055 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -1.088 -0.147 -5.100 2 HA2 GLY 1 HA2 GLY 1 -3.707 0.822 -5.011 3 HA3 GLY 1 HA3 GLY 1 -3.007 1.060 -3.416 4 H LEU 2 H LEU 2 -3.020 2.075 -6.724 5 HA LEU 2 HA LEU 2 -0.833 3.951 -6.325 6 HB2 LEU 2 HB2 LEU 2 -2.614 3.721 -8.736 7 HB3 LEU 2 HB3 LEU 2 -1.007 4.437 -8.639 8 HG LEU 2 HG LEU 2 -0.363 1.943 -7.972 9 HD11 LEU 2 HD11 LEU 2 -3.067 1.685 -8.705 10 HD12 LEU 2 HD12 LEU 2 -1.906 0.403 -8.364 11 HD13 LEU 2 HD13 LEU 2 -2.116 0.985 -10.015 12 HD21 LEU 2 HD21 LEU 2 -0.842 2.886 -10.797 13 HD22 LEU 2 HD22 LEU 2 0.237 1.578 -10.309 14 HD23 LEU 2 HD23 LEU 2 0.581 3.237 -9.816 15 H PHE 3 H PHE 3 -4.166 3.869 -5.857 16 HA PHE 3 HA PHE 3 -5.054 6.383 -6.600 17 HB2 PHE 3 HB2 PHE 3 -5.866 4.361 -4.609 18 HB3 PHE 3 HB3 PHE 3 -6.418 6.000 -4.279 19 HD1 PHE 3 HD1 PHE 3 -5.972 4.232 -7.521 20 HD2 PHE 3 HD2 PHE 3 -8.679 6.011 -4.760 21 HE1 PHE 3 HE1 PHE 3 -7.807 3.933 -9.133 22 HE2 PHE 3 HE2 PHE 3 -10.519 5.714 -6.366 23 HZ PHE 3 HZ PHE 3 -10.084 4.673 -8.556 24 H GLY 4 H GLY 4 -2.962 5.457 -3.986 25 HA2 GLY 4 HA2 GLY 4 -3.170 8.091 -2.733 26 HA3 GLY 4 HA3 GLY 4 -2.287 6.709 -2.102 27 H VAL 5 H VAL 5 -1.234 6.482 -5.028 28 HA VAL 5 HA VAL 5 1.128 8.098 -4.516 29 HB VAL 5 HB VAL 5 0.650 6.209 -6.821 30 HG11 VAL 5 HG11 VAL 5 2.977 7.732 -5.784 31 HG12 VAL 5 HG12 VAL 5 3.271 6.118 -6.434 32 HG13 VAL 5 HG13 VAL 5 2.520 7.353 -7.444 33 HG21 VAL 5 HG21 VAL 5 1.678 5.685 -4.045 34 HG22 VAL 5 HG22 VAL 5 0.371 4.868 -4.902 35 HG23 VAL 5 HG23 VAL 5 2.043 4.624 -5.405 36 H LEU 6 H LEU 6 -1.336 7.722 -7.041 37 HA LEU 6 HA LEU 6 -0.296 9.774 -8.713 38 HB2 LEU 6 HB2 LEU 6 -2.201 7.805 -8.957 39 HB3 LEU 6 HB3 LEU 6 -3.163 9.282 -8.938 40 HG LEU 6 HG LEU 6 -1.582 10.096 -10.794 41 HD11 LEU 6 HD11 LEU 6 -0.842 7.215 -10.574 42 HD12 LEU 6 HD12 LEU 6 0.180 8.621 -10.867 43 HD13 LEU 6 HD13 LEU 6 -0.850 7.996 -12.155 44 HD21 LEU 6 HD21 LEU 6 -2.879 8.379 -12.402 45 HD22 LEU 6 HD22 LEU 6 -3.649 9.773 -11.644 46 HD23 LEU 6 HD23 LEU 6 -3.815 8.172 -10.922 47 H ALA 7 H ALA 7 -2.659 9.683 -6.117 48 HA ALA 7 HA ALA 7 -3.740 12.266 -6.516 49 HB1 ALA 7 HB1 ALA 7 -3.593 10.544 -4.046 50 HB2 ALA 7 HB2 ALA 7 -4.511 12.046 -4.159 51 HB3 ALA 7 HB3 ALA 7 -4.936 10.675 -5.182 52 H LYS 8 H LYS 8 -0.888 11.092 -4.868 53 HA LYS 8 HA LYS 8 -0.332 13.398 -3.337 54 HB2 LYS 8 HB2 LYS 8 1.108 10.957 -4.146 55 HB3 LYS 8 HB3 LYS 8 2.136 12.344 -3.811 56 HG2 LYS 8 HG2 LYS 8 0.140 12.063 -1.764 57 HG3 LYS 8 HG3 LYS 8 1.033 10.556 -1.973 58 HD2 LYS 8 HD2 LYS 8 2.923 11.424 -1.126 59 HD3 LYS 8 HD3 LYS 8 2.715 12.953 -1.984 60 HE2 LYS 8 HE2 LYS 8 0.935 12.318 0.325 61 HE3 LYS 8 HE3 LYS 8 2.586 12.852 0.635 62 HZ1 LYS 8 HZ1 LYS 8 1.669 14.878 0.507 63 HZ2 LYS 8 HZ2 LYS 8 0.317 14.347 -0.360 64 HZ3 LYS 8 HZ3 LYS 8 1.772 14.653 -1.167 65 H VAL 9 H VAL 9 0.740 12.374 -6.562 66 HA VAL 9 HA VAL 9 2.417 14.598 -7.044 67 HB VAL 9 HB VAL 9 0.991 12.899 -9.095 68 HG11 VAL 9 HG11 VAL 9 2.787 13.561 -10.588 69 HG12 VAL 9 HG12 VAL 9 1.952 14.987 -9.969 70 HG13 VAL 9 HG13 VAL 9 3.522 14.526 -9.309 71 HG21 VAL 9 HG21 VAL 9 2.292 11.562 -7.471 72 HG22 VAL 9 HG22 VAL 9 2.950 11.485 -9.106 73 HG23 VAL 9 HG23 VAL 9 3.727 12.498 -7.889 74 H ALA 10 H ALA 10 -1.013 14.075 -7.403 75 HA ALA 10 HA ALA 10 -1.638 16.158 -9.166 76 HB1 ALA 10 HB1 ALA 10 -3.583 15.109 -8.928 77 HB2 ALA 10 HB2 ALA 10 -3.074 14.373 -7.409 78 HB3 ALA 10 HB3 ALA 10 -3.789 15.985 -7.411 79 H ALA 11 H ALA 11 -0.593 16.231 -5.903 80 HA ALA 11 HA ALA 11 -1.724 18.792 -5.246 81 HB1 ALA 11 HB1 ALA 11 -0.985 16.854 -3.665 82 HB2 ALA 11 HB2 ALA 11 0.597 17.625 -3.776 83 HB3 ALA 11 HB3 ALA 11 -0.784 18.532 -3.160 84 H HIS 12 H HIS 12 0.688 17.902 -7.306 85 HA HIS 12 HA HIS 12 2.155 20.424 -6.890 86 HB2 HIS 12 HB2 HIS 12 3.116 17.734 -7.181 87 HB3 HIS 12 HB3 HIS 12 3.691 18.707 -8.532 88 HD1 HIS 12 HD1 HIS 12 4.538 21.265 -7.430 89 HD2 HIS 12 HD2 HIS 12 4.988 17.757 -5.249 90 HE1 HIS 12 HE1 HIS 12 6.334 21.750 -5.739 91 HB2 I4G 13 HB2 I4G 13 -0.189 22.889 -8.134 92 HB3 I4G 13 HB3 I4G 13 0.229 21.538 -7.080 93 HG I4G 13 HG I4G 13 2.744 22.353 -7.555 94 HD13 I4G 13 HD13 I4G 13 1.120 24.920 -8.003 95 HD11 I4G 13 HD11 I4G 13 2.874 24.851 -7.749 96 HD12 I4G 13 HD12 I4G 13 2.161 24.136 -9.198 97 HD23 I4G 13 HD23 I4G 13 1.645 22.272 -5.324 98 HD22 I4G 13 HD22 I4G 13 0.847 23.820 -5.648 99 HD21 I4G 13 HD21 I4G 13 2.612 23.743 -5.498 100 HA2 I4G 13 HA2 I4G 13 0.255 22.920 -10.270 101 HA3 I4G 13 HA3 I4G 13 1.068 21.602 -11.134 102 H VAL 14 H VAL 14 -0.971 22.444 -12.324 103 HA VAL 14 HA VAL 14 -2.919 20.293 -11.983 104 HB VAL 14 HB VAL 14 -3.844 23.124 -12.451 105 HG11 VAL 14 HG11 VAL 14 -5.159 20.977 -13.146 106 HG12 VAL 14 HG12 VAL 14 -5.527 20.883 -11.422 107 HG13 VAL 14 HG13 VAL 14 -5.995 22.309 -12.349 108 HG21 VAL 14 HG21 VAL 14 -3.644 21.574 -9.878 109 HG22 VAL 14 HG22 VAL 14 -2.954 23.153 -10.251 110 HG23 VAL 14 HG23 VAL 14 -4.700 22.972 -10.082 111 H GLY 15 H GLY 15 -1.113 20.046 -13.856 112 HA2 GLY 15 HA2 GLY 15 -1.968 21.315 -16.330 113 HA3 GLY 15 HA3 GLY 15 -0.603 20.225 -16.133 114 H ALA 16 H ALA 16 -1.628 17.967 -15.152 115 HA ALA 16 HA ALA 16 -2.689 16.645 -17.329 116 HB1 ALA 16 HB1 ALA 16 -1.950 15.074 -15.910 117 HB2 ALA 16 HB2 ALA 16 -2.324 16.042 -14.484 118 HB3 ALA 16 HB3 ALA 16 -3.596 15.112 -15.276 119 H ILE 17 H ILE 17 -4.457 17.784 -14.450 120 HA ILE 17 HA ILE 17 -7.009 17.004 -15.269 121 HB ILE 17 HB ILE 17 -6.327 19.414 -13.580 122 HG12 ILE 17 HG12 ILE 17 -6.804 16.537 -12.769 123 HG13 ILE 17 HG13 ILE 17 -5.258 17.377 -12.721 124 HG21 ILE 17 HG21 ILE 17 -8.633 19.414 -14.320 125 HG22 ILE 17 HG22 ILE 17 -8.833 17.749 -13.774 126 HG23 ILE 17 HG23 ILE 17 -8.554 19.034 -12.599 127 HD11 ILE 17 HD11 ILE 17 -6.131 17.313 -10.514 128 HD12 ILE 17 HD12 ILE 17 -6.272 18.973 -11.094 129 HD13 ILE 17 HD13 ILE 17 -7.693 17.930 -11.051 130 H ALA 18 H ALA 18 -5.198 19.966 -15.908 131 HA ALA 18 HA ALA 18 -7.297 21.399 -17.138 132 HB1 ALA 18 HB1 ALA 18 -4.897 22.259 -18.299 133 HB2 ALA 18 HB2 ALA 18 -5.749 22.976 -16.931 134 HB3 ALA 18 HB3 ALA 18 -4.492 21.770 -16.653 135 H GLU 19 H GLU 19 -4.594 19.559 -18.563 136 HA GLU 19 HA GLU 19 -5.377 19.859 -21.236 137 HB2 GLU 19 HB2 GLU 19 -3.298 18.595 -19.864 138 HB3 GLU 19 HB3 GLU 19 -4.104 17.302 -20.740 139 HG2 GLU 19 HG2 GLU 19 -3.373 19.837 -22.137 140 HG3 GLU 19 HG3 GLU 19 -2.161 18.587 -21.858 141 H HIS 20 H HIS 20 -6.672 17.924 -18.726 142 HA HIS 20 HA HIS 20 -8.018 16.113 -20.576 143 HB2 HIS 20 HB2 HIS 20 -7.161 15.014 -18.645 144 HB3 HIS 20 HB3 HIS 20 -7.845 16.226 -17.565 145 HD1 HIS 20 HD1 HIS 20 -8.591 13.026 -19.197 146 HD2 HIS 20 HD2 HIS 20 -10.715 16.048 -17.295 147 HE1 HIS 20 HE1 HIS 20 -10.844 12.038 -18.676 148 H PHE 21 H PHE 21 -8.617 18.940 -18.677 149 HA PHE 21 HA PHE 21 -11.496 18.685 -18.786 150 HB2 PHE 21 HB2 PHE 21 -9.574 20.351 -17.390 151 HB3 PHE 21 HB3 PHE 21 -10.876 21.316 -18.080 152 HD1 PHE 21 HD2 PHE 21 -13.162 21.045 -17.325 153 HD2 PHE 21 HD1 PHE 21 -9.997 18.752 -15.638 154 HE1 PHE 21 HE2 PHE 21 -14.623 20.416 -15.448 155 HE2 PHE 21 HE1 PHE 21 -11.454 18.118 -13.759 156 HZ PHE 21 HZ PHE 21 -13.769 18.951 -13.662 157 HN1 NH2 22 HN1 NH2 22 -8.805 20.155 -20.686 158 HN2 NH2 22 HN2 NH2 22 -9.805 21.001 -21.906 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -0.893 0.696 -1.973 2 HA2 GLY 1 HA2 GLY 1 -3.201 0.821 -3.774 3 HA3 GLY 1 HA3 GLY 1 -3.334 1.621 -2.215 4 H LEU 2 H LEU 2 -1.995 1.748 -5.394 5 HA LEU 2 HA LEU 2 -0.404 4.111 -4.830 6 HB2 LEU 2 HB2 LEU 2 -0.984 2.913 -7.526 7 HB3 LEU 2 HB3 LEU 2 0.352 3.969 -7.073 8 HG LEU 2 HG LEU 2 0.906 1.911 -5.471 9 HD11 LEU 2 HD11 LEU 2 -1.176 0.901 -7.090 10 HD12 LEU 2 HD12 LEU 2 -0.182 0.035 -5.919 11 HD13 LEU 2 HD13 LEU 2 0.320 0.122 -7.607 12 HD21 LEU 2 HD21 LEU 2 1.611 2.425 -8.331 13 HD22 LEU 2 HD22 LEU 2 2.272 1.022 -7.490 14 HD23 LEU 2 HD23 LEU 2 2.586 2.647 -6.879 15 H PHE 3 H PHE 3 -3.600 3.407 -5.619 16 HA PHE 3 HA PHE 3 -4.358 5.404 -7.381 17 HB2 PHE 3 HB2 PHE 3 -5.707 3.797 -5.304 18 HB3 PHE 3 HB3 PHE 3 -6.515 5.303 -5.729 19 HD1 PHE 3 HD1 PHE 3 -4.577 2.945 -7.854 20 HD2 PHE 3 HD2 PHE 3 -8.358 4.694 -6.984 21 HE1 PHE 3 HE1 PHE 3 -5.532 1.863 -9.847 22 HE2 PHE 3 HE2 PHE 3 -9.320 3.615 -8.975 23 HZ PHE 3 HZ PHE 3 -7.907 2.197 -10.409 24 H GLY 4 H GLY 4 -3.459 5.629 -4.032 25 HA2 GLY 4 HA2 GLY 4 -4.446 8.375 -3.833 26 HA3 GLY 4 HA3 GLY 4 -3.766 7.419 -2.525 27 H VAL 5 H VAL 5 -1.572 6.727 -4.630 28 HA VAL 5 HA VAL 5 0.176 8.906 -3.820 29 HB VAL 5 HB VAL 5 0.908 6.448 -5.412 30 HG11 VAL 5 HG11 VAL 5 3.136 7.003 -4.165 31 HG12 VAL 5 HG12 VAL 5 2.696 7.884 -5.629 32 HG13 VAL 5 HG13 VAL 5 2.437 8.617 -4.045 33 HG21 VAL 5 HG21 VAL 5 0.681 6.871 -2.449 34 HG22 VAL 5 HG22 VAL 5 0.023 5.563 -3.431 35 HG23 VAL 5 HG23 VAL 5 1.758 5.653 -3.132 36 H LEU 6 H LEU 6 -1.435 7.723 -6.659 37 HA LEU 6 HA LEU 6 0.148 9.339 -8.471 38 HB2 LEU 6 HB2 LEU 6 -0.689 7.148 -9.171 39 HB3 LEU 6 HB3 LEU 6 -2.344 7.710 -8.948 40 HG LEU 6 HG LEU 6 -1.116 9.511 -10.736 41 HD11 LEU 6 HD11 LEU 6 -0.148 8.237 -12.420 42 HD12 LEU 6 HD12 LEU 6 -0.787 6.724 -11.781 43 HD13 LEU 6 HD13 LEU 6 0.532 7.545 -10.947 44 HD21 LEU 6 HD21 LEU 6 -3.144 7.308 -11.055 45 HD22 LEU 6 HD22 LEU 6 -2.755 8.464 -12.329 46 HD23 LEU 6 HD23 LEU 6 -3.442 9.029 -10.805 47 H ALA 7 H ALA 7 -2.975 9.444 -6.886 48 HA ALA 7 HA ALA 7 -4.000 11.641 -8.391 49 HB1 ALA 7 HB1 ALA 7 -5.586 10.226 -7.351 50 HB2 ALA 7 HB2 ALA 7 -4.818 10.406 -5.773 51 HB3 ALA 7 HB3 ALA 7 -5.666 11.770 -6.501 52 H LYS 8 H LYS 8 -2.248 11.311 -5.350 53 HA LYS 8 HA LYS 8 -2.525 13.906 -4.375 54 HB2 LYS 8 HB2 LYS 8 -0.653 13.451 -2.980 55 HB3 LYS 8 HB3 LYS 8 -1.503 11.926 -3.186 56 HG2 LYS 8 HG2 LYS 8 0.511 11.092 -3.652 57 HG3 LYS 8 HG3 LYS 8 0.292 11.841 -5.235 58 HD2 LYS 8 HD2 LYS 8 2.315 12.739 -4.688 59 HD3 LYS 8 HD3 LYS 8 1.266 13.950 -3.947 60 HE2 LYS 8 HE2 LYS 8 1.500 12.074 -1.964 61 HE3 LYS 8 HE3 LYS 8 3.095 12.030 -2.713 62 HZ1 LYS 8 HZ1 LYS 8 1.968 14.661 -2.155 63 HZ2 LYS 8 HZ2 LYS 8 3.568 14.124 -2.047 64 HZ3 LYS 8 HZ3 LYS 8 2.466 13.749 -0.820 65 H VAL 9 H VAL 9 -0.612 12.678 -6.989 66 HA VAL 9 HA VAL 9 1.298 14.749 -7.160 67 HB VAL 9 HB VAL 9 0.203 13.077 -9.425 68 HG11 VAL 9 HG11 VAL 9 2.814 14.558 -9.124 69 HG12 VAL 9 HG12 VAL 9 2.368 13.525 -10.483 70 HG13 VAL 9 HG13 VAL 9 1.474 15.015 -10.176 71 HG21 VAL 9 HG21 VAL 9 2.552 12.535 -7.610 72 HG22 VAL 9 HG22 VAL 9 1.005 11.687 -7.567 73 HG23 VAL 9 HG23 VAL 9 2.047 11.550 -8.984 74 H ALA 10 H ALA 10 -2.006 14.472 -8.246 75 HA ALA 10 HA ALA 10 -2.065 16.524 -10.148 76 HB1 ALA 10 HB1 ALA 10 -3.879 14.755 -9.255 77 HB2 ALA 10 HB2 ALA 10 -4.456 16.214 -8.449 78 HB3 ALA 10 HB3 ALA 10 -4.295 16.182 -10.205 79 H ALA 11 H ALA 11 -1.749 16.649 -6.736 80 HA ALA 11 HA ALA 11 -2.754 19.332 -6.428 81 HB1 ALA 11 HB1 ALA 11 -1.160 17.608 -4.535 82 HB2 ALA 11 HB2 ALA 11 -1.925 19.144 -4.128 83 HB3 ALA 11 HB3 ALA 11 -2.916 17.759 -4.582 84 H HIS 12 H HIS 12 -0.048 18.143 -7.849 85 HA HIS 12 HA HIS 12 1.547 20.512 -7.120 86 HB2 HIS 12 HB2 HIS 12 2.255 17.730 -7.146 87 HB3 HIS 12 HB3 HIS 12 3.230 18.589 -8.335 88 HD1 HIS 12 HD1 HIS 12 4.148 21.042 -7.143 89 HD2 HIS 12 HD2 HIS 12 3.537 17.679 -4.782 90 HE1 HIS 12 HE1 HIS 12 5.523 21.416 -5.071 91 HB2 I4G 13 HB2 I4G 13 -0.200 23.129 -8.903 92 HB3 I4G 13 HB3 I4G 13 -0.112 21.800 -7.747 93 HG I4G 13 HG I4G 13 2.551 22.503 -7.867 94 HD13 I4G 13 HD13 I4G 13 0.976 25.114 -8.234 95 HD11 I4G 13 HD11 I4G 13 2.686 25.008 -7.777 96 HD12 I4G 13 HD12 I4G 13 2.160 24.455 -9.370 97 HD23 I4G 13 HD23 I4G 13 1.189 22.193 -5.809 98 HD22 I4G 13 HD22 I4G 13 0.426 23.771 -6.061 99 HD21 I4G 13 HD21 I4G 13 2.160 23.668 -5.706 100 HA2 I4G 13 HA2 I4G 13 1.028 23.037 -10.924 101 HA3 I4G 13 HA3 I4G 13 1.449 21.440 -11.568 102 H VAL 14 H VAL 14 0.145 21.858 -13.294 103 HA VAL 14 HA VAL 14 -2.642 21.142 -12.786 104 HB VAL 14 HB VAL 14 -1.967 23.373 -14.698 105 HG11 VAL 14 HG11 VAL 14 -4.233 23.614 -15.027 106 HG12 VAL 14 HG12 VAL 14 -4.099 21.865 -14.828 107 HG13 VAL 14 HG13 VAL 14 -4.646 22.867 -13.484 108 HG21 VAL 14 HG21 VAL 14 -1.422 24.202 -12.522 109 HG22 VAL 14 HG22 VAL 14 -2.984 24.879 -12.981 110 HG23 VAL 14 HG23 VAL 14 -2.906 23.538 -11.838 111 H GLY 15 H GLY 15 -1.011 19.273 -13.612 112 HA2 GLY 15 HA2 GLY 15 -0.818 19.217 -16.510 113 HA3 GLY 15 HA3 GLY 15 -0.251 17.977 -15.400 114 H ALA 16 H ALA 16 -2.078 16.801 -14.217 115 HA ALA 16 HA ALA 16 -3.669 15.478 -16.104 116 HB1 ALA 16 HB1 ALA 16 -4.928 14.832 -13.830 117 HB2 ALA 16 HB2 ALA 16 -3.382 14.130 -14.310 118 HB3 ALA 16 HB3 ALA 16 -3.425 15.467 -13.160 119 H ILE 17 H ILE 17 -4.392 18.145 -13.916 120 HA ILE 17 HA ILE 17 -7.166 18.214 -14.182 121 HB ILE 17 HB ILE 17 -5.336 20.598 -13.884 122 HG12 ILE 17 HG12 ILE 17 -6.593 18.827 -11.776 123 HG13 ILE 17 HG13 ILE 17 -4.882 18.887 -12.182 124 HG21 ILE 17 HG21 ILE 17 -8.147 20.396 -14.145 125 HG22 ILE 17 HG22 ILE 17 -7.794 20.842 -12.477 126 HG23 ILE 17 HG23 ILE 17 -7.179 21.829 -13.802 127 HD11 ILE 17 HD11 ILE 17 -4.590 20.508 -10.714 128 HD12 ILE 17 HD12 ILE 17 -5.744 21.522 -11.582 129 HD13 ILE 17 HD13 ILE 17 -6.304 20.442 -10.305 130 H ALA 18 H ALA 18 -4.674 19.860 -16.113 131 HA ALA 18 HA ALA 18 -6.476 21.146 -17.871 132 HB1 ALA 18 HB1 ALA 18 -4.579 22.175 -18.383 133 HB2 ALA 18 HB2 ALA 18 -3.637 20.935 -17.553 134 HB3 ALA 18 HB3 ALA 18 -4.066 20.728 -19.251 135 H GLU 19 H GLU 19 -4.497 18.209 -18.290 136 HA GLU 19 HA GLU 19 -5.450 17.537 -20.837 137 HB2 GLU 19 HB2 GLU 19 -3.525 16.543 -19.233 138 HB3 GLU 19 HB3 GLU 19 -4.761 15.314 -19.004 139 HG2 GLU 19 HG2 GLU 19 -4.319 14.399 -20.970 140 HG3 GLU 19 HG3 GLU 19 -4.469 15.950 -21.793 141 H HIS 20 H HIS 20 -6.933 17.310 -17.759 142 HA HIS 20 HA HIS 20 -8.895 15.345 -18.661 143 HB2 HIS 20 HB2 HIS 20 -8.144 14.959 -16.434 144 HB3 HIS 20 HB3 HIS 20 -8.369 16.649 -15.991 145 HD1 HIS 20 HD1 HIS 20 -10.090 13.411 -16.094 146 HD2 HIS 20 HD2 HIS 20 -11.141 17.412 -15.710 147 HE1 HIS 20 HE1 HIS 20 -12.451 13.406 -15.228 148 H PHE 21 H PHE 21 -8.523 18.747 -18.178 149 HA PHE 21 HA PHE 21 -11.363 19.295 -18.201 150 HB2 PHE 21 HB2 PHE 21 -8.919 20.788 -17.675 151 HB3 PHE 21 HB3 PHE 21 -10.044 21.695 -18.681 152 HD1 PHE 21 HD1 PHE 21 -9.792 19.820 -15.491 153 HD2 PHE 21 HD2 PHE 21 -11.874 22.777 -17.735 154 HE1 PHE 21 HE1 PHE 21 -11.089 20.422 -13.488 155 HE2 PHE 21 HE2 PHE 21 -13.173 23.384 -15.736 156 HZ PHE 21 HZ PHE 21 -12.781 22.207 -13.609 157 HN1 NH2 22 HN1 NH2 22 -8.666 18.891 -20.526 158 HN2 NH2 22 HN2 NH2 22 -9.523 19.436 -22.001 Start of MODEL 14 1 H1 GLY 1 H GLY 1 0.590 -0.895 1.058 2 HA2 GLY 1 HA2 GLY 1 -1.551 0.062 -0.322 3 HA3 GLY 1 HA3 GLY 1 -1.006 0.766 1.193 4 H LEU 2 H LEU 2 0.029 0.790 -2.223 5 HA LEU 2 HA LEU 2 0.798 3.583 -1.957 6 HB2 LEU 2 HB2 LEU 2 0.997 1.742 -4.335 7 HB3 LEU 2 HB3 LEU 2 1.728 3.339 -4.190 8 HG LEU 2 HG LEU 2 3.510 1.903 -3.827 9 HD11 LEU 2 HD11 LEU 2 4.174 2.230 -1.584 10 HD12 LEU 2 HD12 LEU 2 2.505 2.271 -1.017 11 HD13 LEU 2 HD13 LEU 2 3.137 3.596 -1.994 12 HD21 LEU 2 HD21 LEU 2 3.274 -0.245 -3.309 13 HD22 LEU 2 HD22 LEU 2 1.536 0.031 -3.200 14 HD23 LEU 2 HD23 LEU 2 2.541 0.152 -1.755 15 H PHE 3 H PHE 3 -1.924 1.823 -2.844 16 HA PHE 3 HA PHE 3 -2.992 3.200 -4.998 17 HB2 PHE 3 HB2 PHE 3 -4.156 1.692 -2.703 18 HB3 PHE 3 HB3 PHE 3 -5.244 2.661 -3.692 19 HD1 PHE 3 HD2 PHE 3 -2.332 0.434 -4.408 20 HD2 PHE 3 HD1 PHE 3 -6.407 1.383 -5.190 21 HE1 PHE 3 HE2 PHE 3 -2.433 -1.381 -6.065 22 HE2 PHE 3 HE1 PHE 3 -6.515 -0.432 -6.848 23 HZ PHE 3 HZ PHE 3 -4.526 -1.816 -7.288 24 H GLY 4 H GLY 4 -2.624 4.192 -1.694 25 HA2 GLY 4 HA2 GLY 4 -4.402 6.486 -2.059 26 HA3 GLY 4 HA3 GLY 4 -3.631 6.000 -0.557 27 H VAL 5 H VAL 5 -1.104 5.729 -2.382 28 HA VAL 5 HA VAL 5 -0.194 8.443 -1.852 29 HB VAL 5 HB VAL 5 1.427 6.130 -2.914 30 HG11 VAL 5 HG11 VAL 5 2.939 7.756 -3.165 31 HG12 VAL 5 HG12 VAL 5 1.997 8.901 -2.208 32 HG13 VAL 5 HG13 VAL 5 3.058 7.742 -1.406 33 HG21 VAL 5 HG21 VAL 5 0.955 6.976 -0.058 34 HG22 VAL 5 HG22 VAL 5 0.430 5.468 -0.807 35 HG23 VAL 5 HG23 VAL 5 2.149 5.788 -0.580 36 H LEU 6 H LEU 6 -0.944 6.354 -4.540 37 HA LEU 6 HA LEU 6 0.358 7.872 -6.556 38 HB2 LEU 6 HB2 LEU 6 -0.423 5.476 -6.713 39 HB3 LEU 6 HB3 LEU 6 -2.055 6.110 -6.915 40 HG LEU 6 HG LEU 6 -0.326 7.361 -8.817 41 HD11 LEU 6 HD11 LEU 6 1.121 5.424 -8.559 42 HD12 LEU 6 HD12 LEU 6 0.314 5.397 -10.126 43 HD13 LEU 6 HD13 LEU 6 -0.250 4.347 -8.826 44 HD21 LEU 6 HD21 LEU 6 -1.913 6.188 -10.390 45 HD22 LEU 6 HD22 LEU 6 -2.660 7.234 -9.182 46 HD23 LEU 6 HD23 LEU 6 -2.672 5.483 -8.962 47 H ALA 7 H ALA 7 -2.880 7.923 -5.168 48 HA ALA 7 HA ALA 7 -4.091 9.658 -7.008 49 HB1 ALA 7 HB1 ALA 7 -4.900 9.872 -4.171 50 HB2 ALA 7 HB2 ALA 7 -5.880 9.633 -5.619 51 HB3 ALA 7 HB3 ALA 7 -5.003 8.275 -4.913 52 H LYS 8 H LYS 8 -1.918 10.250 -4.352 53 HA LYS 8 HA LYS 8 -2.435 13.051 -4.132 54 HB2 LYS 8 HB2 LYS 8 -0.598 11.099 -2.940 55 HB3 LYS 8 HB3 LYS 8 0.103 12.700 -3.139 56 HG2 LYS 8 HG2 LYS 8 -2.022 13.562 -1.997 57 HG3 LYS 8 HG3 LYS 8 -2.277 11.883 -1.515 58 HD2 LYS 8 HD2 LYS 8 0.316 12.211 -0.820 59 HD3 LYS 8 HD3 LYS 8 -0.293 13.849 -0.575 60 HE2 LYS 8 HE2 LYS 8 -1.617 13.240 1.162 61 HE3 LYS 8 HE3 LYS 8 -1.959 11.649 0.484 62 HZ1 LYS 8 HZ1 LYS 8 -0.564 11.697 2.559 63 HZ2 LYS 8 HZ2 LYS 8 0.680 12.359 1.624 64 HZ3 LYS 8 HZ3 LYS 8 0.081 10.818 1.264 65 H VAL 9 H VAL 9 -0.085 11.078 -5.874 66 HA VAL 9 HA VAL 9 1.550 13.178 -6.795 67 HB VAL 9 HB VAL 9 1.025 10.539 -8.168 68 HG11 VAL 9 HG11 VAL 9 2.164 12.256 -9.539 69 HG12 VAL 9 HG12 VAL 9 3.427 12.357 -8.310 70 HG13 VAL 9 HG13 VAL 9 3.180 10.854 -9.202 71 HG21 VAL 9 HG21 VAL 9 3.157 11.220 -6.147 72 HG22 VAL 9 HG22 VAL 9 1.701 10.287 -5.798 73 HG23 VAL 9 HG23 VAL 9 2.900 9.660 -6.929 74 H ALA 10 H ALA 10 -1.489 11.888 -7.924 75 HA ALA 10 HA ALA 10 -1.445 13.026 -10.520 76 HB1 ALA 10 HB1 ALA 10 -4.072 12.685 -9.239 77 HB2 ALA 10 HB2 ALA 10 -3.469 12.076 -10.781 78 HB3 ALA 10 HB3 ALA 10 -3.052 11.246 -9.281 79 H ALA 11 H ALA 11 -1.952 14.355 -7.405 80 HA ALA 11 HA ALA 11 -3.562 16.584 -8.210 81 HB1 ALA 11 HB1 ALA 11 -1.876 16.546 -5.735 82 HB2 ALA 11 HB2 ALA 11 -3.449 17.298 -6.001 83 HB3 ALA 11 HB3 ALA 11 -3.322 15.544 -5.863 84 H HIS 12 H HIS 12 -0.353 15.807 -8.705 85 HA HIS 12 HA HIS 12 0.681 18.512 -8.540 86 HB2 HIS 12 HB2 HIS 12 1.797 15.856 -8.676 87 HB3 HIS 12 HB3 HIS 12 2.523 16.883 -9.909 88 HD1 HIS 12 HD1 HIS 12 4.393 18.322 -9.147 89 HD2 HIS 12 HD2 HIS 12 1.999 17.077 -5.988 90 HE1 HIS 12 HE1 HIS 12 5.538 19.153 -7.068 91 HB2 I4G 13 HB2 I4G 13 2.318 19.607 -9.337 92 HB3 I4G 13 HB3 I4G 13 2.640 20.699 -10.685 93 HG I4G 13 HG I4G 13 -0.107 20.930 -9.501 94 HD13 I4G 13 HD13 I4G 13 2.365 21.851 -7.928 95 HD11 I4G 13 HD11 I4G 13 0.690 22.305 -7.559 96 HD12 I4G 13 HD12 I4G 13 1.205 20.623 -7.402 97 HD23 I4G 13 HD23 I4G 13 0.715 22.434 -11.304 98 HD22 I4G 13 HD22 I4G 13 2.040 22.978 -10.263 99 HD21 I4G 13 HD21 I4G 13 0.361 23.349 -9.832 100 HA2 I4G 13 HA2 I4G 13 1.488 20.825 -12.495 101 HA3 I4G 13 HA3 I4G 13 1.190 19.204 -13.150 102 H VAL 14 H VAL 14 0.079 21.109 -14.420 103 HA VAL 14 HA VAL 14 -2.758 20.720 -13.836 104 HB VAL 14 HB VAL 14 -1.716 23.451 -14.574 105 HG11 VAL 14 HG11 VAL 14 -3.941 23.330 -15.226 106 HG12 VAL 14 HG12 VAL 14 -4.391 22.313 -13.856 107 HG13 VAL 14 HG13 VAL 14 -4.043 24.025 -13.608 108 HG21 VAL 14 HG21 VAL 14 -0.848 23.152 -12.419 109 HG22 VAL 14 HG22 VAL 14 -2.373 24.000 -12.161 110 HG23 VAL 14 HG23 VAL 14 -2.270 22.263 -11.872 111 H GLY 15 H GLY 15 -1.663 19.251 -15.700 112 HA2 GLY 15 HA2 GLY 15 -1.672 20.589 -18.277 113 HA3 GLY 15 HA3 GLY 15 -1.352 18.886 -17.984 114 H ALA 16 H ALA 16 -3.516 17.907 -16.816 115 HA ALA 16 HA ALA 16 -5.345 17.511 -18.842 116 HB1 ALA 16 HB1 ALA 16 -6.880 17.018 -16.669 117 HB2 ALA 16 HB2 ALA 16 -5.670 15.903 -17.303 118 HB3 ALA 16 HB3 ALA 16 -5.269 16.966 -15.954 119 H ILE 17 H ILE 17 -5.664 19.698 -16.048 120 HA ILE 17 HA ILE 17 -8.180 20.730 -16.674 121 HB ILE 17 HB ILE 17 -5.915 22.185 -15.303 122 HG12 ILE 17 HG12 ILE 17 -8.142 20.548 -14.077 123 HG13 ILE 17 HG13 ILE 17 -6.498 19.963 -14.306 124 HG21 ILE 17 HG21 ILE 17 -7.371 23.890 -15.496 125 HG22 ILE 17 HG22 ILE 17 -8.739 22.823 -15.810 126 HG23 ILE 17 HG23 ILE 17 -8.190 23.087 -14.155 127 HD11 ILE 17 HD11 ILE 17 -6.471 22.477 -12.928 128 HD12 ILE 17 HD12 ILE 17 -7.530 21.329 -12.106 129 HD13 ILE 17 HD13 ILE 17 -5.846 20.908 -12.420 130 H ALA 18 H ALA 18 -4.972 21.669 -17.782 131 HA ALA 18 HA ALA 18 -5.790 24.048 -19.107 132 HB1 ALA 18 HB1 ALA 18 -3.478 23.060 -20.369 133 HB2 ALA 18 HB2 ALA 18 -3.587 24.311 -19.130 134 HB3 ALA 18 HB3 ALA 18 -3.347 22.627 -18.664 135 H GLU 19 H GLU 19 -5.623 20.675 -20.023 136 HA GLU 19 HA GLU 19 -5.912 21.100 -22.827 137 HB2 GLU 19 HB2 GLU 19 -5.252 18.952 -21.278 138 HB3 GLU 19 HB3 GLU 19 -6.902 18.552 -21.736 139 HG2 GLU 19 HG2 GLU 19 -6.374 18.583 -24.037 140 HG3 GLU 19 HG3 GLU 19 -4.808 19.336 -23.739 141 H HIS 20 H HIS 20 -8.081 21.088 -20.166 142 HA HIS 20 HA HIS 20 -10.429 20.613 -21.814 143 HB2 HIS 20 HB2 HIS 20 -9.846 20.742 -18.924 144 HB3 HIS 20 HB3 HIS 20 -11.421 21.373 -19.396 145 HD1 HIS 20 HD1 HIS 20 -13.101 19.678 -20.460 146 HD2 HIS 20 HD2 HIS 20 -9.569 17.985 -19.075 147 HE1 HIS 20 HE1 HIS 20 -13.527 17.201 -20.386 148 H PHE 21 H PHE 21 -8.758 23.261 -20.241 149 HA PHE 21 HA PHE 21 -10.853 25.146 -20.997 150 HB2 PHE 21 HB2 PHE 21 -8.416 25.292 -19.258 151 HB3 PHE 21 HB3 PHE 21 -9.133 26.776 -19.877 152 HD1 PHE 21 HD1 PHE 21 -10.037 23.657 -18.057 153 HD2 PHE 21 HD2 PHE 21 -10.843 27.786 -18.704 154 HE1 PHE 21 HE1 PHE 21 -11.680 23.619 -16.226 155 HE2 PHE 21 HE2 PHE 21 -12.487 27.755 -16.874 156 HZ PHE 21 HZ PHE 21 -12.907 25.671 -15.632 157 HN1 NH2 22 HN1 NH2 22 -8.559 23.545 -22.751 158 HN2 NH2 22 HN2 NH2 22 -7.959 24.830 -23.844 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -2.031 1.514 -0.983 2 HA2 GLY 1 HA2 GLY 1 -2.216 0.528 -3.195 3 HA3 GLY 1 HA3 GLY 1 -3.787 1.301 -3.345 4 H LEU 2 H LEU 2 -2.561 1.867 -5.439 5 HA LEU 2 HA LEU 2 -0.744 4.119 -5.139 6 HB2 LEU 2 HB2 LEU 2 -1.820 2.980 -7.705 7 HB3 LEU 2 HB3 LEU 2 -0.372 3.958 -7.475 8 HG LEU 2 HG LEU 2 0.340 1.870 -5.993 9 HD11 LEU 2 HD11 LEU 2 -0.899 0.048 -6.220 10 HD12 LEU 2 HD12 LEU 2 -0.742 0.122 -7.974 11 HD13 LEU 2 HD13 LEU 2 -2.059 0.976 -7.171 12 HD21 LEU 2 HD21 LEU 2 0.476 1.902 -9.006 13 HD22 LEU 2 HD22 LEU 2 1.555 1.031 -7.918 14 HD23 LEU 2 HD23 LEU 2 1.545 2.795 -7.925 15 H PHE 3 H PHE 3 -4.060 3.602 -5.400 16 HA PHE 3 HA PHE 3 -4.979 5.655 -7.014 17 HB2 PHE 3 HB2 PHE 3 -6.063 4.106 -4.747 18 HB3 PHE 3 HB3 PHE 3 -6.843 5.658 -5.035 19 HD1 PHE 3 HD2 PHE 3 -5.411 3.216 -7.448 20 HD2 PHE 3 HD1 PHE 3 -8.897 5.164 -5.973 21 HE1 PHE 3 HE2 PHE 3 -6.736 2.210 -9.260 22 HE2 PHE 3 HE1 PHE 3 -10.228 4.160 -7.783 23 HZ PHE 3 HZ PHE 3 -9.148 2.681 -9.430 24 H GLY 4 H GLY 4 -3.539 5.797 -3.856 25 HA2 GLY 4 HA2 GLY 4 -4.324 8.591 -3.497 26 HA3 GLY 4 HA3 GLY 4 -3.496 7.586 -2.317 27 H VAL 5 H VAL 5 -1.716 6.795 -4.752 28 HA VAL 5 HA VAL 5 0.252 8.879 -4.244 29 HB VAL 5 HB VAL 5 0.601 6.375 -5.892 30 HG11 VAL 5 HG11 VAL 5 2.311 8.606 -5.162 31 HG12 VAL 5 HG12 VAL 5 2.999 7.048 -4.699 32 HG13 VAL 5 HG13 VAL 5 2.547 7.351 -6.377 33 HG21 VAL 5 HG21 VAL 5 0.049 5.481 -3.832 34 HG22 VAL 5 HG22 VAL 5 1.802 5.627 -3.710 35 HG23 VAL 5 HG23 VAL 5 0.762 6.825 -2.940 36 H LEU 6 H LEU 6 -1.878 7.808 -6.752 37 HA LEU 6 HA LEU 6 -0.505 9.311 -8.823 38 HB2 LEU 6 HB2 LEU 6 -2.358 7.162 -8.742 39 HB3 LEU 6 HB3 LEU 6 -3.103 8.485 -9.638 40 HG LEU 6 HG LEU 6 -0.364 7.962 -10.477 41 HD11 LEU 6 HD11 LEU 6 -0.958 5.674 -9.846 42 HD12 LEU 6 HD12 LEU 6 -0.814 5.850 -11.594 43 HD13 LEU 6 HD13 LEU 6 -2.408 5.777 -10.844 44 HD21 LEU 6 HD21 LEU 6 -1.684 7.751 -12.689 45 HD22 LEU 6 HD22 LEU 6 -1.621 9.317 -11.879 46 HD23 LEU 6 HD23 LEU 6 -3.059 8.305 -11.734 47 H ALA 7 H ALA 7 -3.333 9.585 -6.771 48 HA ALA 7 HA ALA 7 -4.446 11.844 -8.126 49 HB1 ALA 7 HB1 ALA 7 -6.012 11.954 -6.327 50 HB2 ALA 7 HB2 ALA 7 -5.750 10.252 -6.710 51 HB3 ALA 7 HB3 ALA 7 -4.979 10.966 -5.294 52 H LYS 8 H LYS 8 -2.189 11.377 -5.490 53 HA LYS 8 HA LYS 8 -2.221 13.969 -4.417 54 HB2 LYS 8 HB2 LYS 8 -0.116 13.412 -3.390 55 HB3 LYS 8 HB3 LYS 8 -1.147 11.988 -3.356 56 HG2 LYS 8 HG2 LYS 8 0.537 10.859 -4.246 57 HG3 LYS 8 HG3 LYS 8 0.273 11.769 -5.735 58 HD2 LYS 8 HD2 LYS 8 1.848 13.141 -3.653 59 HD3 LYS 8 HD3 LYS 8 2.612 11.730 -4.388 60 HE2 LYS 8 HE2 LYS 8 1.770 12.896 -6.612 61 HE3 LYS 8 HE3 LYS 8 1.851 14.337 -5.599 62 HZ1 LYS 8 HZ1 LYS 8 3.966 12.860 -6.798 63 HZ2 LYS 8 HZ2 LYS 8 4.198 12.995 -5.129 64 HZ3 LYS 8 HZ3 LYS 8 4.004 14.387 -6.070 65 H VAL 9 H VAL 9 -0.822 12.698 -7.314 66 HA VAL 9 HA VAL 9 1.185 14.600 -7.785 67 HB VAL 9 HB VAL 9 -0.501 13.199 -9.864 68 HG11 VAL 9 HG11 VAL 9 0.794 15.024 -10.789 69 HG12 VAL 9 HG12 VAL 9 2.255 14.419 -10.004 70 HG13 VAL 9 HG13 VAL 9 1.489 13.482 -11.288 71 HG21 VAL 9 HG21 VAL 9 1.276 11.498 -9.875 72 HG22 VAL 9 HG22 VAL 9 2.044 12.306 -8.509 73 HG23 VAL 9 HG23 VAL 9 0.447 11.582 -8.320 74 H ALA 10 H ALA 10 -2.276 14.722 -8.209 75 HA ALA 10 HA ALA 10 -2.468 16.895 -9.964 76 HB1 ALA 10 HB1 ALA 10 -4.340 15.395 -9.304 77 HB2 ALA 10 HB2 ALA 10 -4.396 16.223 -7.748 78 HB3 ALA 10 HB3 ALA 10 -4.739 17.111 -9.232 79 H ALA 11 H ALA 11 -1.496 16.754 -6.681 80 HA ALA 11 HA ALA 11 -2.139 19.488 -6.041 81 HB1 ALA 11 HB1 ALA 11 -0.243 17.688 -4.552 82 HB2 ALA 11 HB2 ALA 11 -1.133 19.081 -3.936 83 HB3 ALA 11 HB3 ALA 11 -1.995 17.605 -4.370 84 H HIS 12 H HIS 12 0.100 18.165 -8.041 85 HA HIS 12 HA HIS 12 2.037 20.329 -7.534 86 HB2 HIS 12 HB2 HIS 12 2.446 17.504 -7.828 87 HB3 HIS 12 HB3 HIS 12 3.243 18.345 -9.155 88 HD1 HIS 12 HD1 HIS 12 4.586 20.655 -8.039 89 HD2 HIS 12 HD2 HIS 12 4.201 17.166 -5.818 90 HE1 HIS 12 HE1 HIS 12 6.389 20.770 -6.290 91 HB2 I4G 13 HB2 I4G 13 0.240 23.197 -8.796 92 HB3 I4G 13 HB3 I4G 13 0.448 21.795 -7.744 93 HG I4G 13 HG I4G 13 2.800 22.175 -7.490 94 HD13 I4G 13 HD13 I4G 13 2.643 24.141 -9.844 95 HD11 I4G 13 HD11 I4G 13 4.094 23.818 -8.877 96 HD12 I4G 13 HD12 I4G 13 3.400 22.543 -9.883 97 HD23 I4G 13 HD23 I4G 13 1.414 23.834 -6.259 98 HD22 I4G 13 HD22 I4G 13 1.487 24.939 -7.641 99 HD21 I4G 13 HD21 I4G 13 2.962 24.541 -6.742 100 HA2 I4G 13 HA2 I4G 13 0.814 23.187 -10.939 101 HA3 I4G 13 HA3 I4G 13 1.347 21.728 -11.794 102 H VAL 14 H VAL 14 -0.977 23.805 -11.695 103 HA VAL 14 HA VAL 14 -3.261 22.017 -11.719 104 HB VAL 14 HB VAL 14 -3.277 24.893 -12.603 105 HG11 VAL 14 HG11 VAL 14 -5.262 22.832 -12.060 106 HG12 VAL 14 HG12 VAL 14 -5.582 24.345 -11.209 107 HG13 VAL 14 HG13 VAL 14 -5.411 24.338 -12.965 108 HG21 VAL 14 HG21 VAL 14 -2.192 24.914 -10.463 109 HG22 VAL 14 HG22 VAL 14 -3.856 25.459 -10.248 110 HG23 VAL 14 HG23 VAL 14 -3.400 23.819 -9.789 111 H GLY 15 H GLY 15 -0.851 22.395 -13.805 112 HA2 GLY 15 HA2 GLY 15 -2.202 22.889 -16.272 113 HA3 GLY 15 HA3 GLY 15 -0.587 22.221 -16.087 114 H ALA 16 H ALA 16 -0.976 19.906 -14.758 115 HA ALA 16 HA ALA 16 -1.812 18.137 -16.749 116 HB1 ALA 16 HB1 ALA 16 -2.025 16.852 -14.218 117 HB2 ALA 16 HB2 ALA 16 -0.747 16.712 -15.426 118 HB3 ALA 16 HB3 ALA 16 -0.648 17.953 -14.177 119 H ILE 17 H ILE 17 -3.564 19.588 -14.087 120 HA ILE 17 HA ILE 17 -5.805 17.908 -14.045 121 HB ILE 17 HB ILE 17 -5.777 20.875 -13.483 122 HG12 ILE 17 HG12 ILE 17 -5.230 18.543 -11.633 123 HG13 ILE 17 HG13 ILE 17 -4.038 19.708 -12.200 124 HG21 ILE 17 HG21 ILE 17 -7.915 20.655 -12.935 125 HG22 ILE 17 HG22 ILE 17 -7.868 18.986 -13.502 126 HG23 ILE 17 HG23 ILE 17 -7.521 19.353 -11.812 127 HD11 ILE 17 HD11 ILE 17 -4.468 20.872 -10.369 128 HD12 ILE 17 HD12 ILE 17 -6.042 21.255 -11.068 129 HD13 ILE 17 HD13 ILE 17 -5.870 19.873 -9.985 130 H ALA 18 H ALA 18 -5.176 20.867 -15.903 131 HA ALA 18 HA ALA 18 -7.662 21.089 -17.152 132 HB1 ALA 18 HB1 ALA 18 -6.192 22.200 -19.013 133 HB2 ALA 18 HB2 ALA 18 -6.364 22.962 -17.431 134 HB3 ALA 18 HB3 ALA 18 -4.913 22.034 -17.810 135 H GLU 19 H GLU 19 -4.953 18.998 -17.817 136 HA GLU 19 HA GLU 19 -5.794 18.232 -20.439 137 HB2 GLU 19 HB2 GLU 19 -3.493 17.910 -18.943 138 HB3 GLU 19 HB3 GLU 19 -4.152 16.282 -19.013 139 HG2 GLU 19 HG2 GLU 19 -4.387 16.808 -21.562 140 HG3 GLU 19 HG3 GLU 19 -3.156 18.021 -21.214 141 H HIS 20 H HIS 20 -6.676 17.320 -17.249 142 HA HIS 20 HA HIS 20 -7.643 14.701 -17.858 143 HB2 HIS 20 HB2 HIS 20 -7.290 16.280 -15.531 144 HB3 HIS 20 HB3 HIS 20 -8.991 15.830 -15.594 145 HD1 HIS 20 HD1 HIS 20 -9.575 13.353 -15.261 146 HD2 HIS 20 HD2 HIS 20 -5.497 14.140 -15.165 147 HE1 HIS 20 HE1 HIS 20 -8.506 11.255 -14.378 148 H PHE 21 H PHE 21 -8.934 17.916 -18.063 149 HA PHE 21 HA PHE 21 -11.565 16.806 -18.787 150 HB2 PHE 21 HB2 PHE 21 -10.863 19.551 -17.727 151 HB3 PHE 21 HB3 PHE 21 -12.471 19.061 -18.250 152 HD1 PHE 21 HD2 PHE 21 -9.833 18.472 -15.741 153 HD2 PHE 21 HD1 PHE 21 -13.891 17.806 -16.840 154 HE1 PHE 21 HE2 PHE 21 -10.302 17.621 -13.481 155 HE2 PHE 21 HE1 PHE 21 -14.366 16.955 -14.582 156 HZ PHE 21 HZ PHE 21 -12.571 16.860 -12.899 157 HN1 NH2 22 HN1 NH2 22 -9.950 20.082 -19.383 158 HN2 NH2 22 HN2 NH2 22 -10.101 20.060 -21.167 Start of MODEL 16 1 H1 GLY 1 H GLY 1 3.977 2.114 3.377 2 HA2 GLY 1 HA2 GLY 1 2.186 0.964 2.394 3 HA3 GLY 1 HA3 GLY 1 1.077 2.125 3.108 4 H LEU 2 H LEU 2 0.925 1.226 0.442 5 HA LEU 2 HA LEU 2 2.010 3.347 -1.219 6 HB2 LEU 2 HB2 LEU 2 0.140 1.152 -2.067 7 HB3 LEU 2 HB3 LEU 2 1.222 2.107 -3.079 8 HG LEU 2 HG LEU 2 3.051 0.942 -1.532 9 HD11 LEU 2 HD11 LEU 2 1.602 -1.512 -1.757 10 HD12 LEU 2 HD12 LEU 2 0.690 -0.377 -0.764 11 HD13 LEU 2 HD13 LEU 2 2.351 -0.786 -0.335 12 HD21 LEU 2 HD21 LEU 2 1.696 -0.009 -4.023 13 HD22 LEU 2 HD22 LEU 2 3.010 -0.944 -3.310 14 HD23 LEU 2 HD23 LEU 2 3.290 0.720 -3.823 15 H PHE 3 H PHE 3 -0.762 2.804 0.612 16 HA PHE 3 HA PHE 3 -2.829 3.872 -0.888 17 HB2 PHE 3 HB2 PHE 3 -2.244 3.576 1.990 18 HB3 PHE 3 HB3 PHE 3 -3.422 4.822 1.590 19 HD1 PHE 3 HD1 PHE 3 -2.796 1.520 -0.003 20 HD2 PHE 3 HD2 PHE 3 -5.476 3.968 2.219 21 HE1 PHE 3 HE1 PHE 3 -4.540 -0.204 -0.212 22 HE2 PHE 3 HE2 PHE 3 -7.223 2.248 2.014 23 HZ PHE 3 HZ PHE 3 -6.756 0.158 0.798 24 H GLY 4 H GLY 4 -0.117 5.460 0.593 25 HA2 GLY 4 HA2 GLY 4 -1.293 8.106 0.177 26 HA3 GLY 4 HA3 GLY 4 0.225 7.762 0.992 27 H VAL 5 H VAL 5 0.723 5.903 -1.462 28 HA VAL 5 HA VAL 5 2.079 7.971 -3.004 29 HB VAL 5 HB VAL 5 2.252 4.981 -3.376 30 HG11 VAL 5 HG11 VAL 5 4.635 5.989 -4.142 31 HG12 VAL 5 HG12 VAL 5 3.283 5.717 -5.243 32 HG13 VAL 5 HG13 VAL 5 3.570 7.325 -4.578 33 HG21 VAL 5 HG21 VAL 5 4.001 6.780 -1.700 34 HG22 VAL 5 HG22 VAL 5 2.880 5.562 -1.090 35 HG23 VAL 5 HG23 VAL 5 4.292 5.071 -2.026 36 H LEU 6 H LEU 6 -0.614 5.809 -3.243 37 HA LEU 6 HA LEU 6 -0.847 6.095 -6.120 38 HB2 LEU 6 HB2 LEU 6 -1.687 4.206 -4.272 39 HB3 LEU 6 HB3 LEU 6 -3.173 5.020 -4.759 40 HG LEU 6 HG LEU 6 -2.413 4.541 -7.165 41 HD11 LEU 6 HD11 LEU 6 -0.618 2.673 -5.629 42 HD12 LEU 6 HD12 LEU 6 -0.139 3.922 -6.778 43 HD13 LEU 6 HD13 LEU 6 -1.004 2.492 -7.341 44 HD21 LEU 6 HD21 LEU 6 -3.583 2.508 -7.177 45 HD22 LEU 6 HD22 LEU 6 -4.240 3.397 -5.803 46 HD23 LEU 6 HD23 LEU 6 -3.071 2.103 -5.539 47 H ALA 7 H ALA 7 -2.337 7.359 -3.204 48 HA ALA 7 HA ALA 7 -4.462 8.714 -4.566 49 HB1 ALA 7 HB1 ALA 7 -4.688 9.900 -2.327 50 HB2 ALA 7 HB2 ALA 7 -4.908 8.150 -2.330 51 HB3 ALA 7 HB3 ALA 7 -3.390 8.847 -1.763 52 H LYS 8 H LYS 8 -1.222 9.541 -3.507 53 HA LYS 8 HA LYS 8 -1.381 12.330 -3.742 54 HB2 LYS 8 HB2 LYS 8 1.000 12.333 -3.725 55 HB3 LYS 8 HB3 LYS 8 0.489 11.004 -2.693 56 HG2 LYS 8 HG2 LYS 8 1.956 9.786 -3.844 57 HG3 LYS 8 HG3 LYS 8 0.740 9.780 -5.124 58 HD2 LYS 8 HD2 LYS 8 1.836 12.004 -5.855 59 HD3 LYS 8 HD3 LYS 8 3.193 11.483 -4.854 60 HE2 LYS 8 HE2 LYS 8 2.019 9.647 -6.907 61 HE3 LYS 8 HE3 LYS 8 3.173 10.893 -7.378 62 HZ1 LYS 8 HZ1 LYS 8 3.911 9.221 -5.111 63 HZ2 LYS 8 HZ2 LYS 8 4.871 9.833 -6.362 64 HZ3 LYS 8 HZ3 LYS 8 3.906 8.470 -6.627 65 H VAL 9 H VAL 9 -1.154 9.834 -6.131 66 HA VAL 9 HA VAL 9 -0.088 11.286 -8.280 67 HB VAL 9 HB VAL 9 -2.132 9.067 -8.435 68 HG11 VAL 9 HG11 VAL 9 -1.787 10.335 -10.524 69 HG12 VAL 9 HG12 VAL 9 -0.065 9.957 -10.443 70 HG13 VAL 9 HG13 VAL 9 -1.245 8.662 -10.646 71 HG21 VAL 9 HG21 VAL 9 -0.226 7.550 -8.611 72 HG22 VAL 9 HG22 VAL 9 0.881 8.902 -8.373 73 HG23 VAL 9 HG23 VAL 9 -0.206 8.414 -7.074 74 H ALA 10 H ALA 10 -3.295 11.192 -6.906 75 HA ALA 10 HA ALA 10 -4.575 12.499 -9.118 76 HB1 ALA 10 HB1 ALA 10 -6.534 12.557 -7.738 77 HB2 ALA 10 HB2 ALA 10 -5.759 10.985 -7.538 78 HB3 ALA 10 HB3 ALA 10 -5.582 12.220 -6.292 79 H ALA 11 H ALA 11 -2.706 13.516 -6.442 80 HA ALA 11 HA ALA 11 -3.814 16.133 -6.147 81 HB1 ALA 11 HB1 ALA 11 -1.006 15.457 -5.374 82 HB2 ALA 11 HB2 ALA 11 -2.168 16.510 -4.567 83 HB3 ALA 11 HB3 ALA 11 -2.364 14.760 -4.490 84 H HIS 12 H HIS 12 -2.009 14.728 -8.576 85 HA HIS 12 HA HIS 12 -0.124 16.611 -9.313 86 HB2 HIS 12 HB2 HIS 12 -1.416 14.369 -10.530 87 HB3 HIS 12 HB3 HIS 12 -1.364 15.687 -11.697 88 HD1 HIS 12 HD1 HIS 12 0.438 14.707 -13.183 89 HD2 HIS 12 HD2 HIS 12 1.591 15.007 -9.202 90 HE1 HIS 12 HE1 HIS 12 2.907 14.225 -13.159 91 HB2 I4G 13 HB2 I4G 13 0.803 17.531 -10.844 92 HB3 I4G 13 HB3 I4G 13 0.792 19.011 -11.805 93 HG I4G 13 HG I4G 13 2.128 18.873 -9.475 94 HD13 I4G 13 HD13 I4G 13 0.444 21.311 -10.283 95 HD11 I4G 13 HD11 I4G 13 1.846 21.351 -9.198 96 HD12 I4G 13 HD12 I4G 13 2.055 20.920 -10.898 97 HD23 I4G 13 HD23 I4G 13 0.146 18.185 -8.138 98 HD22 I4G 13 HD22 I4G 13 -0.688 19.684 -8.579 99 HD21 I4G 13 HD21 I4G 13 0.775 19.741 -7.578 100 HA2 I4G 13 HA2 I4G 13 -1.905 20.508 -10.314 101 HA3 I4G 13 HA3 I4G 13 -0.773 20.552 -11.678 102 H VAL 14 H VAL 14 -2.454 21.803 -12.594 103 HA VAL 14 HA VAL 14 -4.222 20.083 -14.161 104 HB VAL 14 HB VAL 14 -5.273 22.625 -12.926 105 HG11 VAL 14 HG11 VAL 14 -7.012 22.330 -14.273 106 HG12 VAL 14 HG12 VAL 14 -6.170 20.974 -15.026 107 HG13 VAL 14 HG13 VAL 14 -7.250 20.694 -13.659 108 HG21 VAL 14 HG21 VAL 14 -5.012 21.280 -11.044 109 HG22 VAL 14 HG22 VAL 14 -6.669 20.949 -11.549 110 HG23 VAL 14 HG23 VAL 14 -5.386 19.801 -11.929 111 H GLY 15 H GLY 15 -2.023 20.947 -15.278 112 HA2 GLY 15 HA2 GLY 15 -2.337 23.572 -16.460 113 HA3 GLY 15 HA3 GLY 15 -1.034 22.434 -16.770 114 H ALA 16 H ALA 16 -2.590 20.208 -17.528 115 HA ALA 16 HA ALA 16 -2.892 20.638 -20.259 116 HB1 ALA 16 HB1 ALA 16 -4.491 18.490 -19.866 117 HB2 ALA 16 HB2 ALA 16 -2.730 18.418 -19.938 118 HB3 ALA 16 HB3 ALA 16 -3.547 18.478 -18.376 119 H ILE 17 H ILE 17 -5.449 20.327 -17.792 120 HA ILE 17 HA ILE 17 -7.611 20.829 -19.500 121 HB ILE 17 HB ILE 17 -7.398 21.425 -16.547 122 HG12 ILE 17 HG12 ILE 17 -8.434 18.984 -18.004 123 HG13 ILE 17 HG13 ILE 17 -6.929 19.075 -17.097 124 HG21 ILE 17 HG21 ILE 17 -9.261 22.600 -17.588 125 HG22 ILE 17 HG22 ILE 17 -9.827 21.091 -18.302 126 HG23 ILE 17 HG23 ILE 17 -9.842 21.299 -16.551 127 HD11 ILE 17 HD11 ILE 17 -9.740 19.079 -16.083 128 HD12 ILE 17 HD12 ILE 17 -8.393 18.030 -15.639 129 HD13 ILE 17 HD13 ILE 17 -8.416 19.711 -15.104 130 H ALA 18 H ALA 18 -5.431 22.993 -17.822 131 HA ALA 18 HA ALA 18 -6.933 25.367 -18.105 132 HB1 ALA 18 HB1 ALA 18 -4.891 24.929 -16.625 133 HB2 ALA 18 HB2 ALA 18 -3.935 25.292 -18.062 134 HB3 ALA 18 HB3 ALA 18 -5.023 26.510 -17.396 135 H GLU 19 H GLU 19 -4.729 23.669 -20.238 136 HA GLU 19 HA GLU 19 -4.297 25.735 -22.102 137 HB2 GLU 19 HB2 GLU 19 -3.522 23.055 -21.810 138 HB3 GLU 19 HB3 GLU 19 -4.362 23.129 -23.352 139 HG2 GLU 19 HG2 GLU 19 -2.173 23.554 -23.937 140 HG3 GLU 19 HG3 GLU 19 -2.865 25.171 -23.819 141 H HIS 20 H HIS 20 -7.021 23.738 -21.480 142 HA HIS 20 HA HIS 20 -8.210 24.134 -24.095 143 HB2 HIS 20 HB2 HIS 20 -9.246 22.837 -21.569 144 HB3 HIS 20 HB3 HIS 20 -10.168 22.944 -23.065 145 HD1 HIS 20 HD1 HIS 20 -10.187 20.316 -23.112 146 HD2 HIS 20 HD2 HIS 20 -6.432 22.054 -23.481 147 HE1 HIS 20 HE1 HIS 20 -8.677 18.484 -23.941 148 H PHE 21 H PHE 21 -8.344 25.538 -20.913 149 HA PHE 21 HA PHE 21 -10.672 27.156 -21.604 150 HB2 PHE 21 HB2 PHE 21 -9.115 26.734 -19.061 151 HB3 PHE 21 HB3 PHE 21 -10.289 28.037 -19.216 152 HD1 PHE 21 HD1 PHE 21 -12.674 27.388 -19.896 153 HD2 PHE 21 HD2 PHE 21 -9.798 24.607 -18.444 154 HE1 PHE 21 HE1 PHE 21 -14.484 25.829 -19.306 155 HE2 PHE 21 HE2 PHE 21 -11.602 23.043 -17.853 156 HZ PHE 21 HZ PHE 21 -13.949 23.652 -18.284 157 HN1 NH2 22 HN1 NH2 22 -7.505 27.263 -22.548 158 HN2 NH2 22 HN2 NH2 22 -7.158 29.018 -22.490 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -3.117 3.094 3.406 2 HA2 GLY 1 HA2 GLY 1 -1.087 2.319 2.284 3 HA3 GLY 1 HA3 GLY 1 -2.481 1.923 1.290 4 H LEU 2 H LEU 2 -1.597 2.059 -0.710 5 HA LEU 2 HA LEU 2 -0.007 4.381 -1.441 6 HB2 LEU 2 HB2 LEU 2 -0.868 2.130 -3.237 7 HB3 LEU 2 HB3 LEU 2 0.479 3.244 -3.464 8 HG LEU 2 HG LEU 2 1.300 2.100 -1.208 9 HD11 LEU 2 HD11 LEU 2 0.473 -0.435 -2.225 10 HD12 LEU 2 HD12 LEU 2 -0.951 0.547 -1.885 11 HD13 LEU 2 HD13 LEU 2 0.237 0.249 -0.617 12 HD21 LEU 2 HD21 LEU 2 2.836 1.948 -2.865 13 HD22 LEU 2 HD22 LEU 2 1.652 1.442 -4.070 14 HD23 LEU 2 HD23 LEU 2 2.276 0.276 -2.901 15 H PHE 3 H PHE 3 -3.250 3.481 -1.444 16 HA PHE 3 HA PHE 3 -4.276 4.513 -3.799 17 HB2 PHE 3 HB2 PHE 3 -5.316 4.022 -1.081 18 HB3 PHE 3 HB3 PHE 3 -6.215 5.206 -2.024 19 HD1 PHE 3 HD1 PHE 3 -4.474 2.104 -3.110 20 HD2 PHE 3 HD2 PHE 3 -8.176 4.152 -2.648 21 HE1 PHE 3 HE1 PHE 3 -5.627 0.279 -4.290 22 HE2 PHE 3 HE2 PHE 3 -9.335 2.330 -3.827 23 HZ PHE 3 HZ PHE 3 -8.061 0.390 -4.649 24 H GLY 4 H GLY 4 -2.990 6.171 -1.030 25 HA2 GLY 4 HA2 GLY 4 -4.031 8.746 -1.944 26 HA3 GLY 4 HA3 GLY 4 -3.170 8.450 -0.441 27 H VAL 5 H VAL 5 -1.224 6.845 -2.276 28 HA VAL 5 HA VAL 5 0.523 9.126 -2.754 29 HB VAL 5 HB VAL 5 1.179 6.199 -3.086 30 HG11 VAL 5 HG11 VAL 5 2.825 8.707 -2.908 31 HG12 VAL 5 HG12 VAL 5 3.508 7.104 -2.628 32 HG13 VAL 5 HG13 VAL 5 2.799 7.501 -4.193 33 HG21 VAL 5 HG21 VAL 5 0.611 6.279 -0.845 34 HG22 VAL 5 HG22 VAL 5 2.336 6.645 -0.801 35 HG23 VAL 5 HG23 VAL 5 1.155 7.947 -0.659 36 H LEU 6 H LEU 6 -0.549 6.241 -4.558 37 HA LEU 6 HA LEU 6 0.522 6.957 -7.031 38 HB2 LEU 6 HB2 LEU 6 -1.371 5.016 -6.010 39 HB3 LEU 6 HB3 LEU 6 -1.821 5.586 -7.616 40 HG LEU 6 HG LEU 6 -0.491 3.520 -7.681 41 HD11 LEU 6 HD11 LEU 6 0.772 5.995 -8.839 42 HD12 LEU 6 HD12 LEU 6 -0.390 4.914 -9.607 43 HD13 LEU 6 HD13 LEU 6 1.249 4.353 -9.274 44 HD21 LEU 6 HD21 LEU 6 2.083 4.641 -7.126 45 HD22 LEU 6 HD22 LEU 6 1.305 3.229 -6.410 46 HD23 LEU 6 HD23 LEU 6 1.040 4.829 -5.716 47 H ALA 7 H ALA 7 -2.409 7.975 -5.435 48 HA ALA 7 HA ALA 7 -3.641 9.127 -7.739 49 HB1 ALA 7 HB1 ALA 7 -5.131 10.228 -6.084 50 HB2 ALA 7 HB2 ALA 7 -5.017 8.479 -5.882 51 HB3 ALA 7 HB3 ALA 7 -4.134 9.552 -4.796 52 H LYS 8 H LYS 8 -1.508 10.310 -5.203 53 HA LYS 8 HA LYS 8 -1.724 13.053 -5.658 54 HB2 LYS 8 HB2 LYS 8 0.106 11.262 -4.281 55 HB3 LYS 8 HB3 LYS 8 0.948 12.632 -4.994 56 HG2 LYS 8 HG2 LYS 8 -0.594 14.157 -3.835 57 HG3 LYS 8 HG3 LYS 8 -1.375 12.764 -3.082 58 HD2 LYS 8 HD2 LYS 8 1.074 12.199 -2.325 59 HD3 LYS 8 HD3 LYS 8 1.331 13.924 -2.593 60 HE2 LYS 8 HE2 LYS 8 -0.918 12.856 -0.905 61 HE3 LYS 8 HE3 LYS 8 0.676 13.221 -0.245 62 HZ1 LYS 8 HZ1 LYS 8 0.271 15.400 -0.293 63 HZ2 LYS 8 HZ2 LYS 8 -1.359 14.982 -0.461 64 HZ3 LYS 8 HZ3 LYS 8 -0.435 15.349 -1.830 65 H VAL 9 H VAL 9 0.096 10.586 -7.357 66 HA VAL 9 HA VAL 9 1.721 12.351 -8.879 67 HB VAL 9 HB VAL 9 0.883 9.536 -9.583 68 HG11 VAL 9 HG11 VAL 9 2.867 9.486 -10.957 69 HG12 VAL 9 HG12 VAL 9 1.863 10.858 -11.431 70 HG13 VAL 9 HG13 VAL 9 3.303 11.116 -10.445 71 HG21 VAL 9 HG21 VAL 9 2.890 8.789 -8.473 72 HG22 VAL 9 HG22 VAL 9 3.332 10.450 -8.077 73 HG23 VAL 9 HG23 VAL 9 1.910 9.715 -7.336 74 H ALA 10 H ALA 10 -1.506 11.080 -9.266 75 HA ALA 10 HA ALA 10 -1.791 11.746 -12.025 76 HB1 ALA 10 HB1 ALA 10 -4.062 11.143 -11.792 77 HB2 ALA 10 HB2 ALA 10 -3.160 10.054 -10.737 78 HB3 ALA 10 HB3 ALA 10 -4.036 11.423 -10.051 79 H ALA 11 H ALA 11 -1.904 13.549 -9.117 80 HA ALA 11 HA ALA 11 -3.370 15.746 -10.393 81 HB1 ALA 11 HB1 ALA 11 -3.866 16.568 -8.295 82 HB2 ALA 11 HB2 ALA 11 -3.848 14.828 -8.006 83 HB3 ALA 11 HB3 ALA 11 -2.458 15.812 -7.549 84 H HIS 12 H HIS 12 -0.224 14.704 -9.800 85 HA HIS 12 HA HIS 12 1.208 16.966 -9.144 86 HB2 HIS 12 HB2 HIS 12 1.779 14.396 -10.239 87 HB3 HIS 12 HB3 HIS 12 2.662 15.596 -11.178 88 HD1 HIS 12 HD1 HIS 12 4.967 15.094 -10.270 89 HD2 HIS 12 HD2 HIS 12 2.190 15.909 -7.289 90 HE1 HIS 12 HE1 HIS 12 6.302 15.318 -8.151 91 HB2 I4G 13 HB2 I4G 13 0.383 20.345 -9.475 92 HB3 I4G 13 HB3 I4G 13 0.224 18.681 -8.911 93 HG I4G 13 HG I4G 13 2.823 18.526 -9.174 94 HD13 I4G 13 HD13 I4G 13 2.497 21.580 -9.189 95 HD11 I4G 13 HD11 I4G 13 4.030 20.717 -8.961 96 HD12 I4G 13 HD12 I4G 13 3.173 20.608 -10.502 97 HD23 I4G 13 HD23 I4G 13 1.656 18.602 -6.979 98 HD22 I4G 13 HD22 I4G 13 1.626 20.372 -7.042 99 HD21 I4G 13 HD21 I4G 13 3.171 19.512 -6.918 100 HA2 I4G 13 HA2 I4G 13 0.958 20.869 -11.516 101 HA3 I4G 13 HA3 I4G 13 1.286 19.680 -12.791 102 H VAL 14 H VAL 14 -0.255 21.770 -13.271 103 HA VAL 14 HA VAL 14 -2.808 20.460 -13.817 104 HB VAL 14 HB VAL 14 -2.740 23.301 -12.813 105 HG11 VAL 14 HG11 VAL 14 -5.216 22.685 -12.436 106 HG12 VAL 14 HG12 VAL 14 -4.670 23.018 -14.082 107 HG13 VAL 14 HG13 VAL 14 -4.894 21.352 -13.545 108 HG21 VAL 14 HG21 VAL 14 -3.371 20.778 -11.286 109 HG22 VAL 14 HG22 VAL 14 -2.032 21.888 -10.987 110 HG23 VAL 14 HG23 VAL 14 -3.693 22.414 -10.709 111 H GLY 15 H GLY 15 -1.035 20.568 -15.734 112 HA2 GLY 15 HA2 GLY 15 -1.219 23.052 -17.230 113 HA3 GLY 15 HA3 GLY 15 -0.328 21.612 -17.701 114 H ALA 16 H ALA 16 -1.781 19.684 -18.241 115 HA ALA 16 HA ALA 16 -3.388 20.354 -20.435 116 HB1 ALA 16 HB1 ALA 16 -3.402 17.771 -18.878 117 HB2 ALA 16 HB2 ALA 16 -3.972 18.007 -20.531 118 HB3 ALA 16 HB3 ALA 16 -2.258 18.183 -20.156 119 H ILE 17 H ILE 17 -4.278 19.372 -17.141 120 HA ILE 17 HA ILE 17 -7.044 19.284 -17.480 121 HB ILE 17 HB ILE 17 -5.572 20.144 -14.987 122 HG12 ILE 17 HG12 ILE 17 -6.383 17.381 -15.918 123 HG13 ILE 17 HG13 ILE 17 -4.736 17.997 -15.839 124 HG21 ILE 17 HG21 ILE 17 -7.916 18.629 -14.467 125 HG22 ILE 17 HG22 ILE 17 -7.568 20.303 -14.036 126 HG23 ILE 17 HG23 ILE 17 -8.336 19.931 -15.579 127 HD11 ILE 17 HD11 ILE 17 -5.893 18.342 -13.286 128 HD12 ILE 17 HD12 ILE 17 -6.252 16.701 -13.825 129 HD13 ILE 17 HD13 ILE 17 -4.582 17.264 -13.765 130 H ALA 18 H ALA 18 -4.914 22.002 -16.746 131 HA ALA 18 HA ALA 18 -6.937 23.903 -16.234 132 HB1 ALA 18 HB1 ALA 18 -4.831 24.518 -15.474 133 HB2 ALA 18 HB2 ALA 18 -4.049 24.103 -17.000 134 HB3 ALA 18 HB3 ALA 18 -5.058 25.545 -16.890 135 H GLU 19 H GLU 19 -5.059 23.214 -19.181 136 HA GLU 19 HA GLU 19 -6.312 25.129 -20.810 137 HB2 GLU 19 HB2 GLU 19 -4.234 23.374 -21.120 138 HB3 GLU 19 HB3 GLU 19 -5.456 22.669 -22.170 139 HG2 GLU 19 HG2 GLU 19 -5.692 25.068 -23.104 140 HG3 GLU 19 HG3 GLU 19 -4.119 25.332 -22.355 141 H HIS 20 H HIS 20 -7.376 22.074 -19.659 142 HA HIS 20 HA HIS 20 -9.228 21.439 -21.707 143 HB2 HIS 20 HB2 HIS 20 -8.479 20.394 -19.115 144 HB3 HIS 20 HB3 HIS 20 -10.229 20.376 -19.313 145 HD1 HIS 20 HD1 HIS 20 -11.013 19.203 -21.691 146 HD2 HIS 20 HD2 HIS 20 -7.255 18.243 -20.203 147 HE1 HIS 20 HE1 HIS 20 -10.362 17.062 -22.840 148 H PHE 21 H PHE 21 -9.481 23.273 -18.699 149 HA PHE 21 HA PHE 21 -12.300 23.813 -19.175 150 HB2 PHE 21 HB2 PHE 21 -10.400 24.407 -16.923 151 HB3 PHE 21 HB3 PHE 21 -11.959 25.219 -17.022 152 HD1 PHE 21 HD2 PHE 21 -14.047 23.891 -16.906 153 HD2 PHE 21 HD1 PHE 21 -10.222 22.157 -16.219 154 HE1 PHE 21 HE2 PHE 21 -15.121 21.962 -15.819 155 HE2 PHE 21 HE1 PHE 21 -11.289 20.225 -15.131 156 HZ PHE 21 HZ PHE 21 -13.741 20.126 -14.929 157 HN1 NH2 22 HN1 NH2 22 -9.223 25.076 -20.181 158 HN2 NH2 22 HN2 NH2 22 -9.704 26.755 -20.575 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -0.600 4.389 5.245 2 HA2 GLY 1 HA2 GLY 1 0.337 2.723 3.594 3 HA3 GLY 1 HA3 GLY 1 -1.323 3.196 3.264 4 H LEU 2 H LEU 2 -0.080 2.250 1.164 5 HA LEU 2 HA LEU 2 1.224 4.397 -0.305 6 HB2 LEU 2 HB2 LEU 2 0.504 1.744 -1.479 7 HB3 LEU 2 HB3 LEU 2 1.857 2.805 -1.868 8 HG LEU 2 HG LEU 2 2.508 2.149 0.656 9 HD11 LEU 2 HD11 LEU 2 1.887 -0.558 0.017 10 HD12 LEU 2 HD12 LEU 2 0.397 0.384 0.039 11 HD13 LEU 2 HD13 LEU 2 1.453 0.372 1.451 12 HD21 LEU 2 HD21 LEU 2 4.203 1.813 -0.809 13 HD22 LEU 2 HD22 LEU 2 3.163 1.048 -2.011 14 HD23 LEU 2 HD23 LEU 2 3.715 0.130 -0.610 15 H PHE 3 H PHE 3 -1.898 3.139 0.140 16 HA PHE 3 HA PHE 3 -3.107 3.466 -2.335 17 HB2 PHE 3 HB2 PHE 3 -4.404 4.176 0.299 18 HB3 PHE 3 HB3 PHE 3 -5.194 3.604 -1.167 19 HD1 PHE 3 HD1 PHE 3 -3.138 1.421 -1.785 20 HD2 PHE 3 HD2 PHE 3 -5.229 2.500 1.761 21 HE1 PHE 3 HE1 PHE 3 -2.959 -0.897 -0.978 22 HE2 PHE 3 HE2 PHE 3 -5.052 0.185 2.574 23 HZ PHE 3 HZ PHE 3 -3.916 -1.517 1.205 24 H GLY 4 H GLY 4 -1.960 5.847 -0.098 25 HA2 GLY 4 HA2 GLY 4 -3.409 7.998 -1.450 26 HA3 GLY 4 HA3 GLY 4 -2.438 8.157 0.007 27 H VAL 5 H VAL 5 -0.410 6.428 -1.654 28 HA VAL 5 HA VAL 5 0.982 8.758 -2.722 29 HB VAL 5 HB VAL 5 2.019 5.932 -2.500 30 HG11 VAL 5 HG11 VAL 5 4.222 7.183 -2.448 31 HG12 VAL 5 HG12 VAL 5 3.367 7.171 -3.992 32 HG13 VAL 5 HG13 VAL 5 3.317 8.605 -2.966 33 HG21 VAL 5 HG21 VAL 5 3.206 6.889 -0.451 34 HG22 VAL 5 HG22 VAL 5 2.001 8.176 -0.503 35 HG23 VAL 5 HG23 VAL 5 1.493 6.502 -0.285 36 H LEU 6 H LEU 6 -0.686 5.925 -3.796 37 HA LEU 6 HA LEU 6 0.401 6.089 -6.488 38 HB2 LEU 6 HB2 LEU 6 -0.748 4.061 -4.916 39 HB3 LEU 6 HB3 LEU 6 -1.857 4.335 -6.258 40 HG LEU 6 HG LEU 6 1.065 3.893 -6.756 41 HD11 LEU 6 HD11 LEU 6 0.172 2.059 -5.303 42 HD12 LEU 6 HD12 LEU 6 0.745 1.540 -6.888 43 HD13 LEU 6 HD13 LEU 6 -0.985 1.695 -6.584 44 HD21 LEU 6 HD21 LEU 6 0.009 4.579 -8.702 45 HD22 LEU 6 HD22 LEU 6 -1.481 3.715 -8.321 46 HD23 LEU 6 HD23 LEU 6 -0.047 2.821 -8.830 47 H ALA 7 H ALA 7 -2.422 7.042 -4.704 48 HA ALA 7 HA ALA 7 -4.004 7.595 -7.058 49 HB1 ALA 7 HB1 ALA 7 -5.293 6.943 -5.222 50 HB2 ALA 7 HB2 ALA 7 -4.427 8.011 -4.117 51 HB3 ALA 7 HB3 ALA 7 -5.529 8.689 -5.316 52 H LYS 8 H LYS 8 -2.069 9.401 -4.733 53 HA LYS 8 HA LYS 8 -2.812 11.995 -5.434 54 HB2 LYS 8 HB2 LYS 8 -0.833 12.726 -4.346 55 HB3 LYS 8 HB3 LYS 8 -1.353 11.278 -3.493 56 HG2 LYS 8 HG2 LYS 8 0.313 9.960 -4.663 57 HG3 LYS 8 HG3 LYS 8 0.808 11.379 -5.590 58 HD2 LYS 8 HD2 LYS 8 0.825 11.807 -2.700 59 HD3 LYS 8 HD3 LYS 8 1.931 10.537 -3.230 60 HE2 LYS 8 HE2 LYS 8 3.281 12.378 -3.431 61 HE3 LYS 8 HE3 LYS 8 2.586 12.313 -5.050 62 HZ1 LYS 8 HZ1 LYS 8 2.226 14.485 -4.554 63 HZ2 LYS 8 HZ2 LYS 8 2.090 14.220 -2.890 64 HZ3 LYS 8 HZ3 LYS 8 0.797 13.845 -3.914 65 H VAL 9 H VAL 9 -0.832 9.693 -7.098 66 HA VAL 9 HA VAL 9 0.656 11.425 -8.737 67 HB VAL 9 HB VAL 9 -0.331 8.657 -9.441 68 HG11 VAL 9 HG11 VAL 9 0.559 9.976 -11.329 69 HG12 VAL 9 HG12 VAL 9 2.071 10.182 -10.442 70 HG13 VAL 9 HG13 VAL 9 1.556 8.572 -10.947 71 HG21 VAL 9 HG21 VAL 9 2.231 9.469 -8.070 72 HG22 VAL 9 HG22 VAL 9 0.847 8.718 -7.276 73 HG23 VAL 9 HG23 VAL 9 1.747 7.830 -8.505 74 H ALA 10 H ALA 10 -2.635 10.275 -8.927 75 HA ALA 10 HA ALA 10 -3.048 11.108 -11.645 76 HB1 ALA 10 HB1 ALA 10 -5.117 10.177 -11.474 77 HB2 ALA 10 HB2 ALA 10 -4.325 9.332 -10.143 78 HB3 ALA 10 HB3 ALA 10 -5.352 10.728 -9.815 79 H ALA 11 H ALA 11 -3.073 12.644 -8.586 80 HA ALA 11 HA ALA 11 -4.778 14.835 -9.452 81 HB1 ALA 11 HB1 ALA 11 -5.096 15.224 -7.282 82 HB2 ALA 11 HB2 ALA 11 -4.225 13.720 -6.985 83 HB3 ALA 11 HB3 ALA 11 -3.363 15.258 -6.955 84 H HIS 12 H HIS 12 -1.567 13.984 -9.768 85 HA HIS 12 HA HIS 12 -0.404 16.602 -9.495 86 HB2 HIS 12 HB2 HIS 12 0.541 13.906 -9.883 87 HB3 HIS 12 HB3 HIS 12 1.306 14.987 -11.044 88 HD1 HIS 12 HD1 HIS 12 3.279 16.237 -10.212 89 HD2 HIS 12 HD2 HIS 12 0.872 14.883 -7.108 90 HE1 HIS 12 HE1 HIS 12 4.515 16.818 -8.101 91 HB2 I4G 13 HB2 I4G 13 1.282 17.663 -10.230 92 HB3 I4G 13 HB3 I4G 13 1.647 18.848 -11.485 93 HG I4G 13 HG I4G 13 -1.062 19.158 -10.256 94 HD13 I4G 13 HD13 I4G 13 1.458 19.708 -8.589 95 HD11 I4G 13 HD11 I4G 13 -0.180 20.250 -8.175 96 HD12 I4G 13 HD12 I4G 13 0.201 18.525 -8.201 97 HD23 I4G 13 HD23 I4G 13 -0.109 20.780 -11.884 98 HD22 I4G 13 HD22 I4G 13 1.244 21.104 -10.788 99 HD21 I4G 13 HD21 I4G 13 -0.406 21.556 -10.322 100 HA2 I4G 13 HA2 I4G 13 0.441 19.227 -13.232 101 HA3 I4G 13 HA3 I4G 13 0.107 17.681 -14.036 102 H VAL 14 H VAL 14 -0.927 20.651 -13.720 103 HA VAL 14 HA VAL 14 -3.744 19.871 -14.103 104 HB VAL 14 HB VAL 14 -3.303 21.191 -11.990 105 HG11 VAL 14 HG11 VAL 14 -2.781 23.495 -12.101 106 HG12 VAL 14 HG12 VAL 14 -1.592 22.676 -13.115 107 HG13 VAL 14 HG13 VAL 14 -2.950 23.524 -13.856 108 HG21 VAL 14 HG21 VAL 14 -5.072 22.991 -13.406 109 HG22 VAL 14 HG22 VAL 14 -5.388 21.306 -13.821 110 HG23 VAL 14 HG23 VAL 14 -5.435 21.822 -12.136 111 H GLY 15 H GLY 15 -1.119 20.743 -15.727 112 HA2 GLY 15 HA2 GLY 15 -1.798 22.998 -17.239 113 HA3 GLY 15 HA3 GLY 15 -0.737 21.703 -17.776 114 H ALA 16 H ALA 16 -2.789 19.647 -17.576 115 HA ALA 16 HA ALA 16 -3.780 19.695 -20.176 116 HB1 ALA 16 HB1 ALA 16 -5.531 18.075 -18.713 117 HB2 ALA 16 HB2 ALA 16 -4.090 17.574 -19.599 118 HB3 ALA 16 HB3 ALA 16 -3.977 17.971 -17.885 119 H ILE 17 H ILE 17 -5.627 20.185 -17.159 120 HA ILE 17 HA ILE 17 -8.033 20.921 -18.383 121 HB ILE 17 HB ILE 17 -7.031 21.854 -15.691 122 HG12 ILE 17 HG12 ILE 17 -8.573 19.357 -16.433 123 HG13 ILE 17 HG13 ILE 17 -6.896 19.411 -15.899 124 HG21 ILE 17 HG21 ILE 17 -9.819 21.571 -16.804 125 HG22 ILE 17 HG22 ILE 17 -9.425 21.988 -15.137 126 HG23 ILE 17 HG23 ILE 17 -8.978 23.080 -16.448 127 HD11 ILE 17 HD11 ILE 17 -7.679 20.358 -13.744 128 HD12 ILE 17 HD12 ILE 17 -9.338 20.108 -14.291 129 HD13 ILE 17 HD13 ILE 17 -8.264 18.727 -14.070 130 H ALA 18 H ALA 18 -5.337 22.913 -17.223 131 HA ALA 18 HA ALA 18 -6.452 25.427 -17.687 132 HB1 ALA 18 HB1 ALA 18 -4.147 26.257 -17.743 133 HB2 ALA 18 HB2 ALA 18 -4.399 25.118 -16.420 134 HB3 ALA 18 HB3 ALA 18 -3.558 24.600 -17.881 135 H GLU 19 H GLU 19 -5.065 23.113 -19.893 136 HA GLU 19 HA GLU 19 -4.652 24.894 -22.069 137 HB2 GLU 19 HB2 GLU 19 -3.904 22.347 -21.575 138 HB3 GLU 19 HB3 GLU 19 -5.259 22.057 -22.657 139 HG2 GLU 19 HG2 GLU 19 -4.165 22.836 -24.454 140 HG3 GLU 19 HG3 GLU 19 -3.368 24.120 -23.547 141 H HIS 20 H HIS 20 -7.431 23.370 -20.747 142 HA HIS 20 HA HIS 20 -8.997 23.754 -23.181 143 HB2 HIS 20 HB2 HIS 20 -9.542 22.406 -20.546 144 HB3 HIS 20 HB3 HIS 20 -10.845 22.765 -21.675 145 HD1 HIS 20 HD1 HIS 20 -11.416 20.776 -23.005 146 HD2 HIS 20 HD2 HIS 20 -7.349 20.944 -22.171 147 HE1 HIS 20 HE1 HIS 20 -10.419 18.745 -24.104 148 H PHE 21 H PHE 21 -8.484 25.155 -20.042 149 HA PHE 21 HA PHE 21 -10.816 26.877 -20.254 150 HB2 PHE 21 HB2 PHE 21 -8.901 26.140 -18.139 151 HB3 PHE 21 HB3 PHE 21 -9.435 27.817 -18.098 152 HD1 PHE 21 HD2 PHE 21 -10.562 24.311 -17.968 153 HD2 PHE 21 HD1 PHE 21 -11.621 28.395 -17.405 154 HE1 PHE 21 HE2 PHE 21 -12.644 23.614 -16.857 155 HE2 PHE 21 HE1 PHE 21 -13.705 27.705 -16.293 156 HZ PHE 21 HZ PHE 21 -14.219 25.312 -16.018 157 HN1 NH2 22 HN1 NH2 22 -7.511 26.802 -21.389 158 HN2 NH2 22 HN2 NH2 22 -7.268 28.550 -21.688 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -5.272 3.733 0.102 2 HA2 GLY 1 HA2 GLY 1 -3.013 2.360 1.407 3 HA3 GLY 1 HA3 GLY 1 -3.747 1.682 -0.038 4 H LEU 2 H LEU 2 -2.189 1.880 -1.537 5 HA LEU 2 HA LEU 2 -0.658 4.345 -1.738 6 HB2 LEU 2 HB2 LEU 2 -0.425 2.055 -3.644 7 HB3 LEU 2 HB3 LEU 2 0.808 3.202 -3.124 8 HG LEU 2 HG LEU 2 0.340 1.951 -0.790 9 HD11 LEU 2 HD11 LEU 2 -0.715 0.013 -0.976 10 HD12 LEU 2 HD12 LEU 2 0.430 -0.523 -2.206 11 HD13 LEU 2 HD13 LEU 2 -1.022 0.359 -2.679 12 HD21 LEU 2 HD21 LEU 2 2.174 0.971 -2.976 13 HD22 LEU 2 HD22 LEU 2 2.347 0.643 -1.251 14 HD23 LEU 2 HD23 LEU 2 2.512 2.292 -1.856 15 H PHE 3 H PHE 3 -3.456 2.964 -3.077 16 HA PHE 3 HA PHE 3 -3.460 3.874 -5.697 17 HB2 PHE 3 HB2 PHE 3 -5.878 3.887 -3.887 18 HB3 PHE 3 HB3 PHE 3 -5.847 3.684 -5.636 19 HD1 PHE 3 HD2 PHE 3 -3.467 1.756 -5.672 20 HD2 PHE 3 HD1 PHE 3 -7.045 1.888 -3.371 21 HE1 PHE 3 HE2 PHE 3 -3.370 -0.686 -5.387 22 HE2 PHE 3 HE1 PHE 3 -6.953 -0.554 -3.081 23 HZ PHE 3 HZ PHE 3 -5.115 -1.844 -4.091 24 H GLY 4 H GLY 4 -3.757 5.645 -2.736 25 HA2 GLY 4 HA2 GLY 4 -4.712 8.040 -4.117 26 HA3 GLY 4 HA3 GLY 4 -4.527 7.848 -2.380 27 H VAL 5 H VAL 5 -1.764 6.619 -3.224 28 HA VAL 5 HA VAL 5 -0.334 9.118 -2.888 29 HB VAL 5 HB VAL 5 0.709 6.288 -3.079 30 HG11 VAL 5 HG11 VAL 5 2.709 7.440 -1.908 31 HG12 VAL 5 HG12 VAL 5 2.534 7.598 -3.657 32 HG13 VAL 5 HG13 VAL 5 2.046 8.921 -2.597 33 HG21 VAL 5 HG21 VAL 5 -0.686 7.564 -1.010 34 HG22 VAL 5 HG22 VAL 5 0.194 6.038 -0.930 35 HG23 VAL 5 HG23 VAL 5 1.007 7.547 -0.515 36 H LEU 6 H LEU 6 -0.310 6.426 -5.222 37 HA LEU 6 HA LEU 6 1.474 7.692 -7.027 38 HB2 LEU 6 HB2 LEU 6 0.063 5.211 -6.833 39 HB3 LEU 6 HB3 LEU 6 -0.153 5.879 -8.450 40 HG LEU 6 HG LEU 6 1.713 4.362 -8.453 41 HD11 LEU 6 HD11 LEU 6 2.717 7.203 -8.524 42 HD12 LEU 6 HD12 LEU 6 1.858 6.395 -9.835 43 HD13 LEU 6 HD13 LEU 6 3.440 5.807 -9.325 44 HD21 LEU 6 HD21 LEU 6 2.421 4.253 -6.224 45 HD22 LEU 6 HD22 LEU 6 2.644 5.999 -6.114 46 HD23 LEU 6 HD23 LEU 6 3.760 5.025 -7.074 47 H ALA 7 H ALA 7 -1.988 7.755 -6.609 48 HA ALA 7 HA ALA 7 -2.594 8.903 -9.153 49 HB1 ALA 7 HB1 ALA 7 -4.209 8.851 -6.606 50 HB2 ALA 7 HB2 ALA 7 -4.815 9.322 -8.195 51 HB3 ALA 7 HB3 ALA 7 -4.276 7.666 -7.912 52 H LYS 8 H LYS 8 -1.863 10.174 -5.959 53 HA LYS 8 HA LYS 8 -2.650 12.829 -6.335 54 HB2 LYS 8 HB2 LYS 8 -1.174 11.329 -4.397 55 HB3 LYS 8 HB3 LYS 8 -0.295 12.811 -4.748 56 HG2 LYS 8 HG2 LYS 8 -3.223 12.929 -4.187 57 HG3 LYS 8 HG3 LYS 8 -2.074 12.766 -2.856 58 HD2 LYS 8 HD2 LYS 8 -1.951 15.001 -2.925 59 HD3 LYS 8 HD3 LYS 8 -0.955 14.764 -4.363 60 HE2 LYS 8 HE2 LYS 8 -2.574 16.289 -5.057 61 HE3 LYS 8 HE3 LYS 8 -3.178 14.742 -5.649 62 HZ1 LYS 8 HZ1 LYS 8 -4.624 14.624 -3.701 63 HZ2 LYS 8 HZ2 LYS 8 -4.943 16.005 -4.623 64 HZ3 LYS 8 HZ3 LYS 8 -4.069 16.135 -3.181 65 H VAL 9 H VAL 9 0.193 11.102 -7.398 66 HA VAL 9 HA VAL 9 1.772 13.365 -8.060 67 HB VAL 9 HB VAL 9 1.900 10.602 -9.276 68 HG11 VAL 9 HG11 VAL 9 4.029 12.726 -9.045 69 HG12 VAL 9 HG12 VAL 9 4.185 11.151 -9.826 70 HG13 VAL 9 HG13 VAL 9 3.111 12.372 -10.508 71 HG21 VAL 9 HG21 VAL 9 2.034 10.588 -6.803 72 HG22 VAL 9 HG22 VAL 9 3.527 10.060 -7.580 73 HG23 VAL 9 HG23 VAL 9 3.413 11.684 -6.902 74 H ALA 10 H ALA 10 -0.746 11.606 -9.717 75 HA ALA 10 HA ALA 10 -0.217 12.791 -12.288 76 HB1 ALA 10 HB1 ALA 10 -1.279 10.526 -11.900 77 HB2 ALA 10 HB2 ALA 10 -2.749 11.397 -11.459 78 HB3 ALA 10 HB3 ALA 10 -2.074 11.570 -13.079 79 H ALA 11 H ALA 11 -1.921 13.688 -9.457 80 HA ALA 11 HA ALA 11 -3.681 15.551 -10.830 81 HB1 ALA 11 HB1 ALA 11 -4.832 15.755 -8.868 82 HB2 ALA 11 HB2 ALA 11 -4.133 14.152 -8.641 83 HB3 ALA 11 HB3 ALA 11 -3.390 15.554 -7.871 84 H HIS 12 H HIS 12 -0.512 15.537 -9.785 85 HA HIS 12 HA HIS 12 -0.345 18.249 -8.851 86 HB2 HIS 12 HB2 HIS 12 1.406 15.966 -9.023 87 HB3 HIS 12 HB3 HIS 12 2.213 17.394 -9.664 88 HD1 HIS 12 HD1 HIS 12 3.269 18.877 -7.981 89 HD2 HIS 12 HD2 HIS 12 0.354 16.441 -6.298 90 HE1 HIS 12 HE1 HIS 12 3.379 19.308 -5.506 91 HB2 I4G 13 HB2 I4G 13 1.112 19.787 -8.719 92 HB3 I4G 13 HB3 I4G 13 1.573 21.244 -9.601 93 HG I4G 13 HG I4G 13 -1.342 20.808 -9.726 94 HD13 I4G 13 HD13 I4G 13 -0.099 21.134 -6.936 95 HD11 I4G 13 HD11 I4G 13 -1.820 21.325 -7.317 96 HD12 I4G 13 HD12 I4G 13 -1.047 19.746 -7.488 97 HD23 I4G 13 HD23 I4G 13 -0.194 22.945 -10.279 98 HD22 I4G 13 HD22 I4G 13 0.374 23.087 -8.607 99 HD21 I4G 13 HD21 I4G 13 -1.359 23.176 -8.968 100 HA2 I4G 13 HA2 I4G 13 1.467 21.483 -11.754 101 HA3 I4G 13 HA3 I4G 13 1.160 20.096 -12.817 102 H VAL 14 H VAL 14 0.523 22.844 -13.146 103 HA VAL 14 HA VAL 14 -2.405 22.846 -13.042 104 HB VAL 14 HB VAL 14 -1.074 24.861 -12.288 105 HG11 VAL 14 HG11 VAL 14 -0.733 25.420 -15.219 106 HG12 VAL 14 HG12 VAL 14 -0.028 26.274 -13.845 107 HG13 VAL 14 HG13 VAL 14 0.530 24.652 -14.259 108 HG21 VAL 14 HG21 VAL 14 -2.998 25.924 -12.601 109 HG22 VAL 14 HG22 VAL 14 -2.648 26.114 -14.319 110 HG23 VAL 14 HG23 VAL 14 -3.481 24.670 -13.743 111 H GLY 15 H GLY 15 -0.224 21.593 -15.032 112 HA2 GLY 15 HA2 GLY 15 -1.186 22.642 -17.557 113 HA3 GLY 15 HA3 GLY 15 -0.003 21.361 -17.340 114 H ALA 16 H ALA 16 -1.343 19.518 -15.859 115 HA ALA 16 HA ALA 16 -2.857 18.147 -17.760 116 HB1 ALA 16 HB1 ALA 16 -2.887 16.459 -16.269 117 HB2 ALA 16 HB2 ALA 16 -1.720 17.467 -15.412 118 HB3 ALA 16 HB3 ALA 16 -3.421 17.495 -14.945 119 H ILE 17 H ILE 17 -3.960 19.913 -14.869 120 HA ILE 17 HA ILE 17 -6.702 19.495 -15.234 121 HB ILE 17 HB ILE 17 -5.409 21.918 -13.978 122 HG12 ILE 17 HG12 ILE 17 -6.183 19.266 -12.741 123 HG13 ILE 17 HG13 ILE 17 -4.539 19.835 -13.010 124 HG21 ILE 17 HG21 ILE 17 -8.136 20.685 -13.612 125 HG22 ILE 17 HG22 ILE 17 -7.489 22.026 -12.667 126 HG23 ILE 17 HG23 ILE 17 -7.775 22.223 -14.396 127 HD11 ILE 17 HD11 ILE 17 -6.444 20.497 -10.889 128 HD12 ILE 17 HD12 ILE 17 -4.680 20.499 -10.881 129 HD13 ILE 17 HD13 ILE 17 -5.560 21.872 -11.551 130 H ALA 18 H ALA 18 -4.659 22.224 -16.252 131 HA ALA 18 HA ALA 18 -6.668 23.745 -17.470 132 HB1 ALA 18 HB1 ALA 18 -4.854 24.875 -18.662 133 HB2 ALA 18 HB2 ALA 18 -4.463 24.645 -16.957 134 HB3 ALA 18 HB3 ALA 18 -3.739 23.597 -18.176 135 H GLU 19 H GLU 19 -4.980 20.911 -18.546 136 HA GLU 19 HA GLU 19 -5.623 21.218 -21.324 137 HB2 GLU 19 HB2 GLU 19 -3.899 19.605 -19.857 138 HB3 GLU 19 HB3 GLU 19 -5.108 18.484 -20.468 139 HG2 GLU 19 HG2 GLU 19 -3.181 18.677 -21.960 140 HG3 GLU 19 HG3 GLU 19 -4.678 19.194 -22.735 141 H HIS 20 H HIS 20 -7.252 20.032 -18.544 142 HA HIS 20 HA HIS 20 -9.103 18.353 -19.984 143 HB2 HIS 20 HB2 HIS 20 -8.560 19.030 -17.176 144 HB3 HIS 20 HB3 HIS 20 -10.266 18.791 -17.542 145 HD1 HIS 20 HD1 HIS 20 -10.893 16.408 -18.583 146 HD2 HIS 20 HD2 HIS 20 -7.088 16.734 -16.947 147 HE1 HIS 20 HE1 HIS 20 -10.095 14.045 -18.261 148 H PHE 21 H PHE 21 -8.931 21.661 -18.937 149 HA PHE 21 HA PHE 21 -11.638 22.104 -20.012 150 HB2 PHE 21 HB2 PHE 21 -10.264 23.563 -17.747 151 HB3 PHE 21 HB3 PHE 21 -11.803 24.041 -18.455 152 HD1 PHE 21 HD2 PHE 21 -10.084 21.462 -16.473 153 HD2 PHE 21 HD1 PHE 21 -13.820 22.916 -17.902 154 HE1 PHE 21 HE2 PHE 21 -11.258 19.962 -14.917 155 HE2 PHE 21 HE1 PHE 21 -15.001 21.418 -16.347 156 HZ PHE 21 HZ PHE 21 -13.720 19.938 -14.853 157 HN1 NH2 22 HN1 NH2 22 -8.864 22.071 -21.389 158 HN2 NH2 22 HN2 NH2 22 -8.672 23.700 -22.105 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -1.924 0.721 -2.745 2 HA2 GLY 1 HA2 GLY 1 -1.924 0.061 -5.069 3 HA3 GLY 1 HA3 GLY 1 -3.581 0.637 -5.182 4 H LEU 2 H LEU 2 -3.295 2.071 -6.840 5 HA LEU 2 HA LEU 2 -1.211 4.091 -6.646 6 HB2 LEU 2 HB2 LEU 2 -3.334 3.867 -8.762 7 HB3 LEU 2 HB3 LEU 2 -1.788 4.707 -8.861 8 HG LEU 2 HG LEU 2 -0.861 2.243 -8.498 9 HD11 LEU 2 HD11 LEU 2 -3.626 1.802 -8.809 10 HD12 LEU 2 HD12 LEU 2 -2.333 0.605 -8.736 11 HD13 LEU 2 HD13 LEU 2 -2.847 1.253 -10.293 12 HD21 LEU 2 HD21 LEU 2 -0.827 2.043 -11.010 13 HD22 LEU 2 HD22 LEU 2 -0.204 3.558 -10.356 14 HD23 LEU 2 HD23 LEU 2 -1.821 3.500 -11.059 15 H PHE 3 H PHE 3 -4.410 3.702 -5.674 16 HA PHE 3 HA PHE 3 -5.585 6.176 -6.076 17 HB2 PHE 3 HB2 PHE 3 -5.920 3.969 -4.145 18 HB3 PHE 3 HB3 PHE 3 -6.527 5.532 -3.608 19 HD1 PHE 3 HD1 PHE 3 -6.482 4.021 -7.006 20 HD2 PHE 3 HD2 PHE 3 -8.831 5.385 -3.730 21 HE1 PHE 3 HE1 PHE 3 -8.526 3.675 -8.332 22 HE2 PHE 3 HE2 PHE 3 -10.879 5.041 -5.050 23 HZ PHE 3 HZ PHE 3 -10.728 4.184 -7.354 24 H GLY 4 H GLY 4 -3.038 5.262 -3.898 25 HA2 GLY 4 HA2 GLY 4 -3.233 7.784 -2.429 26 HA3 GLY 4 HA3 GLY 4 -2.161 6.443 -2.051 27 H VAL 5 H VAL 5 -1.582 6.496 -5.116 28 HA VAL 5 HA VAL 5 0.706 8.274 -4.855 29 HB VAL 5 HB VAL 5 0.013 6.490 -7.189 30 HG11 VAL 5 HG11 VAL 5 2.305 6.702 -7.807 31 HG12 VAL 5 HG12 VAL 5 1.684 8.329 -7.524 32 HG13 VAL 5 HG13 VAL 5 2.693 7.546 -6.308 33 HG21 VAL 5 HG21 VAL 5 1.394 5.895 -4.600 34 HG22 VAL 5 HG22 VAL 5 0.169 4.956 -5.453 35 HG23 VAL 5 HG23 VAL 5 1.821 5.015 -6.067 36 H LEU 6 H LEU 6 -2.195 7.917 -6.831 37 HA LEU 6 HA LEU 6 -1.644 9.938 -8.701 38 HB2 LEU 6 HB2 LEU 6 -3.972 8.386 -7.842 39 HB3 LEU 6 HB3 LEU 6 -4.368 9.987 -8.465 40 HG LEU 6 HG LEU 6 -2.769 7.916 -9.966 41 HD11 LEU 6 HD11 LEU 6 -5.667 8.370 -9.696 42 HD12 LEU 6 HD12 LEU 6 -4.778 6.911 -10.131 43 HD13 LEU 6 HD13 LEU 6 -5.067 8.160 -11.342 44 HD21 LEU 6 HD21 LEU 6 -2.331 9.522 -11.430 45 HD22 LEU 6 HD22 LEU 6 -3.068 10.692 -10.334 46 HD23 LEU 6 HD23 LEU 6 -4.047 9.905 -11.573 47 H ALA 7 H ALA 7 -2.773 10.058 -5.421 48 HA ALA 7 HA ALA 7 -3.776 12.742 -5.546 49 HB1 ALA 7 HB1 ALA 7 -3.620 10.628 -3.578 50 HB2 ALA 7 HB2 ALA 7 -3.217 12.198 -2.884 51 HB3 ALA 7 HB3 ALA 7 -4.759 11.968 -3.707 52 H LYS 8 H LYS 8 -0.699 11.242 -4.909 53 HA LYS 8 HA LYS 8 0.541 13.445 -3.622 54 HB2 LYS 8 HB2 LYS 8 1.406 10.879 -4.808 55 HB3 LYS 8 HB3 LYS 8 2.629 12.142 -4.757 56 HG2 LYS 8 HG2 LYS 8 1.066 11.595 -2.290 57 HG3 LYS 8 HG3 LYS 8 2.315 10.446 -2.772 58 HD2 LYS 8 HD2 LYS 8 3.751 11.790 -1.710 59 HD3 LYS 8 HD3 LYS 8 3.553 12.890 -3.077 60 HE2 LYS 8 HE2 LYS 8 3.061 14.305 -1.348 61 HE3 LYS 8 HE3 LYS 8 1.451 13.680 -1.701 62 HZ1 LYS 8 HZ1 LYS 8 3.083 13.327 0.644 63 HZ2 LYS 8 HZ2 LYS 8 2.405 11.886 0.073 64 HZ3 LYS 8 HZ3 LYS 8 1.406 13.195 0.463 65 H VAL 9 H VAL 9 -0.020 12.601 -6.956 66 HA VAL 9 HA VAL 9 1.874 14.416 -8.079 67 HB VAL 9 HB VAL 9 -0.592 13.257 -9.383 68 HG11 VAL 9 HG11 VAL 9 0.396 15.173 -10.563 69 HG12 VAL 9 HG12 VAL 9 1.950 14.337 -10.598 70 HG13 VAL 9 HG13 VAL 9 0.570 13.673 -11.473 71 HG21 VAL 9 HG21 VAL 9 2.226 12.183 -9.386 72 HG22 VAL 9 HG22 VAL 9 0.896 11.525 -8.434 73 HG23 VAL 9 HG23 VAL 9 0.827 11.476 -10.195 74 H ALA 10 H ALA 10 -1.440 14.654 -7.019 75 HA ALA 10 HA ALA 10 -2.214 16.982 -8.367 76 HB1 ALA 10 HB1 ALA 10 -3.637 15.379 -6.972 77 HB2 ALA 10 HB2 ALA 10 -3.116 16.330 -5.581 78 HB3 ALA 10 HB3 ALA 10 -4.020 17.098 -6.886 79 H ALA 11 H ALA 11 0.019 16.521 -5.808 80 HA ALA 11 HA ALA 11 -0.141 19.186 -4.741 81 HB1 ALA 11 HB1 ALA 11 2.203 17.361 -4.360 82 HB2 ALA 11 HB2 ALA 11 1.525 18.553 -3.250 83 HB3 ALA 11 HB3 ALA 11 0.667 17.043 -3.555 84 H HIS 12 H HIS 12 0.991 18.014 -7.605 85 HA HIS 12 HA HIS 12 3.037 20.126 -7.812 86 HB2 HIS 12 HB2 HIS 12 3.162 17.335 -8.476 87 HB3 HIS 12 HB3 HIS 12 3.364 18.292 -9.941 88 HD1 HIS 12 HD1 HIS 12 5.138 20.499 -9.272 89 HD2 HIS 12 HD2 HIS 12 5.594 16.784 -7.468 90 HE1 HIS 12 HE1 HIS 12 7.515 20.437 -8.453 91 HB2 I4G 13 HB2 I4G 13 1.025 23.132 -7.991 92 HB3 I4G 13 HB3 I4G 13 1.504 21.628 -7.202 93 HG I4G 13 HG I4G 13 3.748 21.925 -8.617 94 HD13 I4G 13 HD13 I4G 13 2.708 24.812 -8.482 95 HD11 I4G 13 HD11 I4G 13 4.359 24.340 -8.925 96 HD12 I4G 13 HD12 I4G 13 3.002 23.889 -9.962 97 HD23 I4G 13 HD23 I4G 13 3.602 21.957 -6.134 98 HD22 I4G 13 HD22 I4G 13 3.117 23.660 -6.172 99 HD21 I4G 13 HD21 I4G 13 4.737 23.184 -6.715 100 HA2 I4G 13 HA2 I4G 13 0.112 23.147 -9.786 101 HA3 I4G 13 HA3 I4G 13 0.974 22.403 -11.146 102 H VAL 14 H VAL 14 -1.440 23.089 -11.611 103 HA VAL 14 HA VAL 14 -2.801 20.518 -11.890 104 HB VAL 14 HB VAL 14 -4.340 22.974 -11.059 105 HG11 VAL 14 HG11 VAL 14 -5.796 21.533 -12.161 106 HG12 VAL 14 HG12 VAL 14 -5.015 20.090 -11.512 107 HG13 VAL 14 HG13 VAL 14 -6.009 21.102 -10.464 108 HG21 VAL 14 HG21 VAL 14 -2.945 22.425 -9.195 109 HG22 VAL 14 HG22 VAL 14 -4.570 21.836 -8.846 110 HG23 VAL 14 HG23 VAL 14 -3.314 20.708 -9.356 111 H GLY 15 H GLY 15 -1.462 21.442 -13.936 112 HA2 GLY 15 HA2 GLY 15 -3.117 23.209 -15.557 113 HA3 GLY 15 HA3 GLY 15 -1.538 22.570 -15.990 114 H ALA 16 H ALA 16 -1.546 20.091 -16.272 115 HA ALA 16 HA ALA 16 -3.066 19.423 -18.475 116 HB1 ALA 16 HB1 ALA 16 -1.013 18.252 -17.210 117 HB2 ALA 16 HB2 ALA 16 -2.320 17.177 -16.709 118 HB3 ALA 16 HB3 ALA 16 -1.996 17.433 -18.424 119 H ILE 17 H ILE 17 -3.780 18.913 -15.062 120 HA ILE 17 HA ILE 17 -5.918 17.179 -15.210 121 HB ILE 17 HB ILE 17 -5.581 19.531 -13.347 122 HG12 ILE 17 HG12 ILE 17 -3.740 17.930 -13.226 123 HG13 ILE 17 HG13 ILE 17 -4.733 17.826 -11.776 124 HG21 ILE 17 HG21 ILE 17 -7.771 17.701 -13.685 125 HG22 ILE 17 HG22 ILE 17 -7.043 17.504 -12.092 126 HG23 ILE 17 HG23 ILE 17 -7.626 19.087 -12.604 127 HD11 ILE 17 HD11 ILE 17 -4.654 15.919 -14.093 128 HD12 ILE 17 HD12 ILE 17 -4.192 15.618 -12.418 129 HD13 ILE 17 HD13 ILE 17 -5.887 15.869 -12.834 130 H ALA 18 H ALA 18 -5.844 20.644 -15.825 131 HA ALA 18 HA ALA 18 -8.677 20.937 -16.054 132 HB1 ALA 18 HB1 ALA 18 -6.445 22.651 -15.986 133 HB2 ALA 18 HB2 ALA 18 -7.277 22.961 -17.510 134 HB3 ALA 18 HB3 ALA 18 -8.154 23.091 -15.985 135 H GLU 19 H GLU 19 -6.022 20.571 -18.379 136 HA GLU 19 HA GLU 19 -7.593 20.822 -20.706 137 HB2 GLU 19 HB2 GLU 19 -4.918 20.603 -20.194 138 HB3 GLU 19 HB3 GLU 19 -5.268 19.028 -20.893 139 HG2 GLU 19 HG2 GLU 19 -6.149 20.055 -22.884 140 HG3 GLU 19 HG3 GLU 19 -5.957 21.659 -22.180 141 H HIS 20 H HIS 20 -7.208 18.259 -18.453 142 HA HIS 20 HA HIS 20 -8.051 16.166 -20.249 143 HB2 HIS 20 HB2 HIS 20 -7.499 16.308 -17.296 144 HB3 HIS 20 HB3 HIS 20 -8.256 14.886 -18.008 145 HD1 HIS 20 HD1 HIS 20 -6.571 14.701 -20.598 146 HD2 HIS 20 HD2 HIS 20 -5.001 15.329 -16.803 147 HE1 HIS 20 HE1 HIS 20 -4.183 13.920 -20.720 148 H PHE 21 H PHE 21 -9.503 18.130 -17.700 149 HA PHE 21 HA PHE 21 -12.106 16.888 -18.227 150 HB2 PHE 21 HB2 PHE 21 -11.326 18.802 -16.019 151 HB3 PHE 21 HB3 PHE 21 -12.851 17.934 -16.158 152 HD1 PHE 21 HD1 PHE 21 -12.299 15.250 -16.637 153 HD2 PHE 21 HD2 PHE 21 -10.001 18.001 -14.341 154 HE1 PHE 21 HE1 PHE 21 -11.353 13.379 -15.348 155 HE2 PHE 21 HE2 PHE 21 -9.050 16.134 -13.050 156 HZ PHE 21 HZ PHE 21 -9.725 13.820 -13.553 157 HN1 NH2 22 HN1 NH2 22 -10.499 18.967 -20.002 158 HN2 NH2 22 HN2 NH2 22 -11.661 20.302 -20.270
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