NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
615484 | 5h1i | 36024 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 1 HN CYS 1 1.024 -0.535 -1.221 2 HA CYS 1 HA CYS 1 -1.052 1.506 -1.190 3 HB2 CYS 1 HB2 CYS 1 0.258 0.521 -3.719 4 HB3 CYS 1 HB1 CYS 1 -1.399 1.114 -3.719 5 H LYS 2 HN LYS 2 -3.128 0.732 -1.665 6 HA LYS 2 HA LYS 2 -4.873 -0.706 -1.628 7 HB2 LYS 2 HB2 LYS 2 -2.920 -2.607 -2.939 8 HB3 LYS 2 HB1 LYS 2 -4.635 -2.936 -2.741 9 HG2 LYS 2 HG2 LYS 2 -5.142 -0.936 -4.099 10 HG3 LYS 2 HG1 LYS 2 -3.411 -0.702 -4.351 11 HD2 LYS 2 HD2 LYS 2 -3.271 -2.896 -5.428 12 HD3 LYS 2 HD1 LYS 2 -5.001 -3.133 -5.173 13 HE2 LYS 2 HE2 LYS 2 -5.471 -1.181 -6.572 14 HE3 LYS 2 HE1 LYS 2 -3.742 -0.948 -6.828 15 HZ1 LYS 2 HZ1 LYS 2 -3.647 -3.107 -7.909 16 HZ2 LYS 2 HZ2 LYS 2 -4.759 -2.098 -8.688 17 HZ3 LYS 2 HZ3 LYS 2 -5.307 -3.328 -7.666 18 H ARG 3 HN ARG 3 -5.796 -1.697 0.005 19 HA ARG 3 HA ARG 3 -4.207 -3.512 1.694 20 HB2 ARG 3 HB2 ARG 3 -5.932 -1.190 2.532 21 HB3 ARG 3 HB1 ARG 3 -5.612 -2.522 3.630 22 HG2 ARG 3 HG2 ARG 3 -3.195 -2.097 3.401 23 HG3 ARG 3 HG1 ARG 3 -3.563 -0.711 2.371 24 HD2 ARG 3 HD2 ARG 3 -4.756 0.361 4.185 25 HD3 ARG 3 HD1 ARG 3 -4.512 -1.050 5.214 26 HE ARG 3 HE ARG 3 -2.044 0.030 4.273 27 HH11 ARG 3 HH11 ARG 3 -4.526 0.487 6.716 28 HH12 ARG 3 HH12 ARG 3 -3.456 1.283 7.820 29 HH21 ARG 3 HH21 ARG 3 -0.661 1.072 5.735 30 HH22 ARG 3 HH22 ARG 3 -1.268 1.614 7.264 31 HA PRO 4 HA PRO 4 -7.355 -6.658 1.543 32 HB2 PRO 4 HB2 PRO 4 -8.006 -6.572 4.371 33 HB3 PRO 4 HB1 PRO 4 -7.153 -7.824 3.461 34 HG2 PRO 4 HG2 PRO 4 -6.060 -5.745 5.156 35 HG3 PRO 4 HG1 PRO 4 -5.263 -7.162 4.462 36 HD2 PRO 4 HD2 PRO 4 -4.739 -4.593 3.689 37 HD3 PRO 4 HD1 PRO 4 -4.490 -6.011 2.656 38 HA PRO 5 HA PRO 5 -11.322 -4.485 3.192 39 HB2 PRO 5 HB2 PRO 5 -10.685 -1.873 4.308 40 HB3 PRO 5 HB1 PRO 5 -11.468 -3.251 5.102 41 HG2 PRO 5 HG2 PRO 5 -9.008 -2.377 5.789 42 HG3 PRO 5 HG1 PRO 5 -9.509 -4.076 5.924 43 HD2 PRO 5 HD2 PRO 5 -7.888 -2.760 3.776 44 HD3 PRO 5 HD1 PRO 5 -7.617 -4.309 4.598 45 H GLY 6 HN GLY 6 -12.616 -3.540 1.721 46 HA2 GLY 6 HA2 GLY 6 -11.390 -1.687 -0.199 47 HA3 GLY 6 HA1 GLY 6 -12.837 -2.642 -0.472 48 H PHE 7 HN PHE 7 -11.941 -0.421 2.160 49 HA PHE 7 HA PHE 7 -14.126 1.374 1.379 50 HB2 PHE 7 HB2 PHE 7 -13.718 0.187 4.125 51 HB3 PHE 7 HB1 PHE 7 -14.727 1.598 3.827 52 HD1 PHE 7 HD1 PHE 7 -14.407 -2.017 3.414 53 HD2 PHE 7 HD2 PHE 7 -16.851 1.390 2.683 54 HE1 PHE 7 HE1 PHE 7 -16.308 -3.494 2.904 55 HE2 PHE 7 HE2 PHE 7 -18.756 -0.080 2.173 56 HZ PHE 7 HZ PHE 7 -18.485 -2.527 2.283 57 H SER 8 HN SER 8 -11.033 0.871 2.798 58 HA SER 8 HA SER 8 -10.603 3.784 2.961 59 HB2 SER 8 HB2 SER 8 -10.931 2.797 5.231 60 HB3 SER 8 HB1 SER 8 -9.527 1.769 4.950 61 HG SER 8 HG SER 8 -9.560 4.608 4.991 62 HA PRO 9 HA PRO 9 -7.059 1.356 0.776 63 HB2 PRO 9 HB2 PRO 9 -7.983 2.215 -1.858 64 HB3 PRO 9 HB1 PRO 9 -7.682 0.571 -1.270 65 HG2 PRO 9 HG2 PRO 9 -10.152 1.457 -1.838 66 HG3 PRO 9 HG1 PRO 9 -9.831 0.280 -0.547 67 HD2 PRO 9 HD2 PRO 9 -10.279 3.234 -0.329 68 HD3 PRO 9 HD1 PRO 9 -10.974 1.916 0.641 69 H LEU 10 HN LEU 10 -5.412 2.638 1.224 70 HA LEU 10 HA LEU 10 -5.030 5.101 -0.323 71 HB2 LEU 10 HB2 LEU 10 -4.822 4.832 2.678 72 HB3 LEU 10 HB1 LEU 10 -4.045 6.133 1.797 73 HG LEU 10 HG LEU 10 -6.549 6.440 0.876 74 HD11 LEU 10 HD11 LEU 10 -7.458 4.594 2.183 75 HD12 LEU 10 HD12 LEU 10 -8.139 6.135 2.705 76 HD13 LEU 10 HD13 LEU 10 -6.886 5.352 3.669 77 HD21 LEU 10 HD21 LEU 10 -5.188 8.177 1.885 78 HD22 LEU 10 HD22 LEU 10 -5.479 7.500 3.487 79 HD23 LEU 10 HD23 LEU 10 -6.814 8.195 2.569 80 H CYS 11 HN CYS 11 -2.617 5.930 0.344 81 HA CYS 11 HA CYS 11 -0.845 3.583 0.343 82 HB2 CYS 11 HB2 CYS 11 -0.603 5.995 -1.472 83 HB3 CYS 11 HB1 CYS 11 0.598 4.718 -1.330 84 H THR 12 HN THR 12 0.192 3.683 2.187 85 HA THR 12 HA THR 12 1.310 6.257 3.085 86 HB THR 12 HB THR 12 -0.233 5.559 4.752 87 HG1 THR 12 HG1 THR 12 2.040 4.554 6.009 88 HG21 THR 12 HG21 THR 12 -0.503 3.185 4.158 89 HG22 THR 12 HG22 THR 12 -0.167 3.358 5.880 90 HG23 THR 12 HG23 THR 12 1.110 2.837 4.781 91 H LYS 13 HN LYS 13 3.267 5.891 4.569 92 HA LYS 13 HA LYS 13 5.479 5.431 4.728 93 HB2 LYS 13 HB2 LYS 13 4.563 2.715 3.764 94 HB3 LYS 13 HB1 LYS 13 6.230 3.057 4.198 95 HG2 LYS 13 HG2 LYS 13 5.523 3.633 6.466 96 HG3 LYS 13 HG1 LYS 13 3.847 3.291 6.028 97 HD2 LYS 13 HD2 LYS 13 4.451 0.969 5.542 98 HD3 LYS 13 HD1 LYS 13 6.126 1.312 5.979 99 HE2 LYS 13 HE2 LYS 13 5.416 1.875 8.251 100 HE3 LYS 13 HE1 LYS 13 3.743 1.534 7.814 101 HZ1 LYS 13 HZ1 LYS 13 4.366 -0.759 7.374 102 HZ2 LYS 13 HZ2 LYS 13 4.754 -0.332 8.963 103 HZ3 LYS 13 HZ3 LYS 13 5.972 -0.429 7.793 104 H SER 14 HN SER 14 6.349 6.825 3.363 105 HA SER 14 HA SER 14 6.396 6.461 0.516 106 HB2 SER 14 HB2 SER 14 7.834 8.464 2.263 107 HB3 SER 14 HB1 SER 14 7.751 8.527 0.503 108 HG SER 14 HG SER 14 5.954 9.374 2.312 109 H ILE 15 HN ILE 15 8.389 5.291 3.029 110 HA ILE 15 HA ILE 15 10.330 4.374 1.064 111 HB ILE 15 HB ILE 15 11.355 6.416 1.867 112 HG12 ILE 15 HG12 ILE 15 13.452 5.338 3.047 113 HG13 ILE 15 HG11 ILE 15 12.643 3.829 2.637 114 HG21 ILE 15 HG21 ILE 15 12.054 6.748 4.192 115 HG22 ILE 15 HG22 ILE 15 11.178 5.290 4.652 116 HG23 ILE 15 HG23 ILE 15 10.300 6.681 4.019 117 HD11 ILE 15 HD11 ILE 15 12.641 4.472 0.282 118 HD12 ILE 15 HD12 ILE 15 14.273 4.445 0.949 119 HD13 ILE 15 HD13 ILE 15 13.451 5.984 0.696 120 HA PRO 16 HA PRO 16 10.061 2.632 0.231 121 HB2 PRO 16 HB2 PRO 16 8.768 0.039 0.241 122 HB3 PRO 16 HB1 PRO 16 10.415 0.432 -0.278 123 HG2 PRO 16 HG2 PRO 16 9.845 -1.098 1.903 124 HG3 PRO 16 HG1 PRO 16 11.330 -0.144 1.719 125 HD2 PRO 16 HD2 PRO 16 8.846 0.519 3.255 126 HD3 PRO 16 HD1 PRO 16 10.551 0.742 3.713 127 HA PRO 17 HA PRO 17 5.645 3.518 -0.160 128 HB2 PRO 17 HB2 PRO 17 5.242 2.621 -2.862 129 HB3 PRO 17 HB1 PRO 17 5.586 4.266 -2.302 130 HG2 PRO 17 HG2 PRO 17 7.326 2.812 -3.833 131 HG3 PRO 17 HG1 PRO 17 7.834 4.087 -2.707 132 HD2 PRO 17 HD2 PRO 17 7.780 1.116 -2.288 133 HD3 PRO 17 HD1 PRO 17 9.070 2.280 -1.904 134 H ILE 18 HN ILE 18 3.591 2.751 0.049 135 HA ILE 18 HA ILE 18 3.064 -0.079 -0.537 136 HB ILE 18 HB ILE 18 2.411 1.311 2.080 137 HG12 ILE 18 HG12 ILE 18 4.711 0.546 2.055 138 HG13 ILE 18 HG11 ILE 18 3.778 -0.491 3.120 139 HG21 ILE 18 HG21 ILE 18 0.520 -0.078 1.463 140 HG22 ILE 18 HG22 ILE 18 1.381 -0.796 2.824 141 HG23 ILE 18 HG23 ILE 18 1.587 -1.460 1.203 142 HD11 ILE 18 HD11 ILE 18 3.660 -2.133 1.184 143 HD12 ILE 18 HD12 ILE 18 5.239 -1.907 1.937 144 HD13 ILE 18 HD13 ILE 18 4.880 -1.131 0.394 Start of MODEL 2 1 H CYS 1 HN CYS 1 0.736 -0.747 -2.273 2 HA CYS 1 HA CYS 1 -1.047 1.333 -1.309 3 HB2 CYS 1 HB2 CYS 1 0.829 2.409 -2.744 4 HB3 CYS 1 HB1 CYS 1 0.018 1.646 -4.108 5 H LYS 2 HN LYS 2 -3.051 1.445 -2.461 6 HA LYS 2 HA LYS 2 -4.916 0.583 -3.399 7 HB2 LYS 2 HB2 LYS 2 -2.922 -0.777 -5.215 8 HB3 LYS 2 HB1 LYS 2 -4.660 -0.917 -5.430 9 HG2 LYS 2 HG2 LYS 2 -4.824 1.502 -5.729 10 HG3 LYS 2 HG1 LYS 2 -3.081 1.648 -5.499 11 HD2 LYS 2 HD2 LYS 2 -2.704 0.252 -7.476 12 HD3 LYS 2 HD1 LYS 2 -4.448 0.101 -7.702 13 HE2 LYS 2 HE2 LYS 2 -3.026 2.753 -7.661 14 HE3 LYS 2 HE1 LYS 2 -3.268 1.823 -9.139 15 HZ1 LYS 2 HZ1 LYS 2 -5.655 1.931 -8.771 16 HZ2 LYS 2 HZ2 LYS 2 -4.994 3.484 -8.849 17 HZ3 LYS 2 HZ3 LYS 2 -5.421 2.824 -7.351 18 H ARG 3 HN ARG 3 -5.831 -0.497 -1.781 19 HA ARG 3 HA ARG 3 -5.423 -3.407 -1.688 20 HB2 ARG 3 HB2 ARG 3 -5.558 -1.510 0.658 21 HB3 ARG 3 HB1 ARG 3 -5.854 -3.234 0.824 22 HG2 ARG 3 HG2 ARG 3 -3.321 -2.309 -0.454 23 HG3 ARG 3 HG1 ARG 3 -3.485 -2.238 1.300 24 HD2 ARG 3 HD2 ARG 3 -4.017 -4.632 1.342 25 HD3 ARG 3 HD1 ARG 3 -3.845 -4.699 -0.413 26 HE ARG 3 HE ARG 3 -1.481 -3.660 0.658 27 HH11 ARG 3 HH11 ARG 3 -3.221 -6.709 0.638 28 HH12 ARG 3 HH12 ARG 3 -1.785 -7.661 0.823 29 HH21 ARG 3 HH21 ARG 3 0.385 -4.925 0.899 30 HH22 ARG 3 HH22 ARG 3 0.253 -6.650 0.971 31 HA PRO 4 HA PRO 4 -9.871 -3.064 -2.625 32 HB2 PRO 4 HB2 PRO 4 -9.739 -5.978 -2.013 33 HB3 PRO 4 HB1 PRO 4 -10.443 -5.142 -3.408 34 HG2 PRO 4 HG2 PRO 4 -8.130 -6.438 -3.601 35 HG3 PRO 4 HG1 PRO 4 -8.438 -4.931 -4.487 36 HD2 PRO 4 HD2 PRO 4 -6.735 -5.394 -2.097 37 HD3 PRO 4 HD1 PRO 4 -6.547 -4.226 -3.418 38 HA PRO 5 HA PRO 5 -11.414 -4.685 1.601 39 HB2 PRO 5 HB2 PRO 5 -9.321 -5.664 3.314 40 HB3 PRO 5 HB1 PRO 5 -10.627 -6.590 2.560 41 HG2 PRO 5 HG2 PRO 5 -7.977 -6.882 1.939 42 HG3 PRO 5 HG1 PRO 5 -9.318 -7.305 0.856 43 HD2 PRO 5 HD2 PRO 5 -7.607 -4.850 0.870 44 HD3 PRO 5 HD1 PRO 5 -8.204 -5.805 -0.502 45 H GLY 6 HN GLY 6 -11.793 -2.565 2.116 46 HA2 GLY 6 HA2 GLY 6 -10.835 -1.521 4.496 47 HA3 GLY 6 HA1 GLY 6 -9.879 -0.788 3.214 48 H PHE 7 HN PHE 7 -10.754 0.749 1.931 49 HA PHE 7 HA PHE 7 -13.577 1.358 1.989 50 HB2 PHE 7 HB2 PHE 7 -11.539 3.255 3.153 51 HB3 PHE 7 HB1 PHE 7 -13.111 3.797 2.580 52 HD1 PHE 7 HD1 PHE 7 -15.171 3.034 3.725 53 HD2 PHE 7 HD2 PHE 7 -11.290 2.159 5.239 54 HE1 PHE 7 HE1 PHE 7 -16.151 2.504 5.919 55 HE2 PHE 7 HE2 PHE 7 -12.264 1.626 7.434 56 HZ PHE 7 HZ PHE 7 -14.697 1.798 7.777 57 H SER 8 HN SER 8 -10.471 2.799 1.123 58 HA SER 8 HA SER 8 -11.232 2.854 -1.682 59 HB2 SER 8 HB2 SER 8 -10.572 5.318 -0.045 60 HB3 SER 8 HB1 SER 8 -10.391 5.299 -1.799 61 HG SER 8 HG SER 8 -12.802 4.325 -0.960 62 HA PRO 9 HA PRO 9 -6.796 2.106 -2.061 63 HB2 PRO 9 HB2 PRO 9 -6.324 3.507 -4.535 64 HB3 PRO 9 HB1 PRO 9 -6.660 1.783 -4.311 65 HG2 PRO 9 HG2 PRO 9 -8.355 3.486 -5.591 66 HG3 PRO 9 HG1 PRO 9 -8.877 2.010 -4.754 67 HD2 PRO 9 HD2 PRO 9 -8.900 4.844 -3.775 68 HD3 PRO 9 HD1 PRO 9 -10.179 3.610 -3.673 69 H LEU 10 HN LEU 10 -5.590 3.104 -0.537 70 HA LEU 10 HA LEU 10 -4.295 5.635 -1.251 71 HB2 LEU 10 HB2 LEU 10 -5.659 5.093 1.390 72 HB3 LEU 10 HB1 LEU 10 -4.530 6.408 1.130 73 HG LEU 10 HG LEU 10 -6.278 6.935 -0.850 74 HD11 LEU 10 HD11 LEU 10 -8.554 6.605 -0.028 75 HD12 LEU 10 HD12 LEU 10 -7.930 5.687 1.343 76 HD13 LEU 10 HD13 LEU 10 -7.740 5.064 -0.296 77 HD21 LEU 10 HD21 LEU 10 -7.276 8.586 0.665 78 HD22 LEU 10 HD22 LEU 10 -5.522 8.510 0.836 79 HD23 LEU 10 HD23 LEU 10 -6.559 7.746 2.040 80 H CYS 11 HN CYS 11 -2.257 5.965 -0.299 81 HA CYS 11 HA CYS 11 -1.126 3.695 1.185 82 HB2 CYS 11 HB2 CYS 11 1.030 4.546 -0.291 83 HB3 CYS 11 HB1 CYS 11 0.051 3.141 -0.670 84 H THR 12 HN THR 12 1.138 4.300 2.062 85 HA THR 12 HA THR 12 0.855 6.575 3.747 86 HB THR 12 HB THR 12 3.165 5.881 4.512 87 HG1 THR 12 HG1 THR 12 2.809 3.475 3.122 88 HG21 THR 12 HG21 THR 12 2.376 3.822 5.625 89 HG22 THR 12 HG22 THR 12 1.015 3.748 4.508 90 HG23 THR 12 HG23 THR 12 1.138 5.079 5.658 91 H LYS 13 HN LYS 13 2.696 8.144 4.060 92 HA LYS 13 HA LYS 13 3.589 9.141 1.446 93 HB2 LYS 13 HB2 LYS 13 2.998 10.552 4.045 94 HB3 LYS 13 HB1 LYS 13 3.887 11.333 2.745 95 HG2 LYS 13 HG2 LYS 13 1.980 11.020 1.248 96 HG3 LYS 13 HG1 LYS 13 1.088 10.233 2.553 97 HD2 LYS 13 HD2 LYS 13 1.216 12.290 3.876 98 HD3 LYS 13 HD1 LYS 13 2.108 13.074 2.572 99 HE2 LYS 13 HE2 LYS 13 0.192 12.771 1.081 100 HE3 LYS 13 HE1 LYS 13 -0.699 11.987 2.384 101 HZ1 LYS 13 HZ1 LYS 13 0.274 14.794 2.400 102 HZ2 LYS 13 HZ2 LYS 13 -0.579 14.041 3.651 103 HZ3 LYS 13 HZ3 LYS 13 -1.328 14.305 2.157 104 H SER 14 HN SER 14 5.220 7.306 1.899 105 HA SER 14 HA SER 14 7.615 8.523 3.082 106 HB2 SER 14 HB2 SER 14 6.691 5.664 3.348 107 HB3 SER 14 HB1 SER 14 8.339 6.177 3.713 108 HG SER 14 HG SER 14 5.935 6.971 4.981 109 H ILE 15 HN ILE 15 6.438 6.063 0.859 110 HA ILE 15 HA ILE 15 8.566 6.767 -1.026 111 HB ILE 15 HB ILE 15 7.870 3.857 -0.911 112 HG12 ILE 15 HG12 ILE 15 10.156 3.770 0.487 113 HG13 ILE 15 HG11 ILE 15 9.521 5.289 1.114 114 HG21 ILE 15 HG21 ILE 15 9.176 4.699 -2.770 115 HG22 ILE 15 HG22 ILE 15 10.154 3.620 -1.775 116 HG23 ILE 15 HG23 ILE 15 10.372 5.366 -1.657 117 HD11 ILE 15 HD11 ILE 15 7.503 4.176 1.833 118 HD12 ILE 15 HD12 ILE 15 8.919 3.373 2.506 119 HD13 ILE 15 HD13 ILE 15 8.067 2.661 1.137 120 HA PRO 16 HA PRO 16 5.811 4.814 0.459 121 HB2 PRO 16 HB2 PRO 16 3.356 3.593 -0.008 122 HB3 PRO 16 HB1 PRO 16 3.562 5.277 0.500 123 HG2 PRO 16 HG2 PRO 16 2.569 4.316 -1.997 124 HG3 PRO 16 HG1 PRO 16 2.807 5.996 -1.486 125 HD2 PRO 16 HD2 PRO 16 4.539 4.280 -3.163 126 HD3 PRO 16 HD1 PRO 16 4.398 6.050 -3.121 127 HA PRO 17 HA PRO 17 6.791 0.464 -0.316 128 HB2 PRO 17 HB2 PRO 17 5.620 -0.726 1.997 129 HB3 PRO 17 HB1 PRO 17 7.281 -0.135 1.821 130 HG2 PRO 17 HG2 PRO 17 5.406 0.980 3.520 131 HG3 PRO 17 HG1 PRO 17 6.836 1.826 2.902 132 HD2 PRO 17 HD2 PRO 17 4.010 1.921 1.921 133 HD3 PRO 17 HD1 PRO 17 5.178 3.247 2.130 134 H ILE 18 HN ILE 18 3.456 0.786 0.733 135 HA ILE 18 HA ILE 18 2.611 -1.205 -1.245 136 HB ILE 18 HB ILE 18 1.717 -1.161 1.652 137 HG12 ILE 18 HG12 ILE 18 3.813 -2.358 1.392 138 HG13 ILE 18 HG11 ILE 18 2.529 -3.509 1.714 139 HG21 ILE 18 HG21 ILE 18 0.599 -2.850 -0.589 140 HG22 ILE 18 HG22 ILE 18 -0.237 -1.560 0.272 141 HG23 ILE 18 HG23 ILE 18 0.215 -3.037 1.122 142 HD11 ILE 18 HD11 ILE 18 3.978 -3.013 -0.875 143 HD12 ILE 18 HD12 ILE 18 2.476 -3.931 -0.792 144 HD13 ILE 18 HD13 ILE 18 3.903 -4.496 0.076 Start of MODEL 3 1 H CYS 1 HN CYS 1 0.808 -0.404 -1.112 2 HA CYS 1 HA CYS 1 -1.081 1.787 -0.775 3 HB2 CYS 1 HB2 CYS 1 -0.388 0.716 -3.519 4 HB3 CYS 1 HB1 CYS 1 -1.715 1.817 -3.166 5 H LYS 2 HN LYS 2 -3.221 1.200 -0.886 6 HA LYS 2 HA LYS 2 -5.043 -0.098 -0.563 7 HB2 LYS 2 HB2 LYS 2 -3.685 -1.831 -2.636 8 HB3 LYS 2 HB1 LYS 2 -5.329 -2.085 -2.069 9 HG2 LYS 2 HG2 LYS 2 -5.925 0.167 -2.882 10 HG3 LYS 2 HG1 LYS 2 -4.288 0.345 -3.513 11 HD2 LYS 2 HD2 LYS 2 -4.633 -1.585 -4.971 12 HD3 LYS 2 HD1 LYS 2 -6.264 -1.786 -4.329 13 HE2 LYS 2 HE2 LYS 2 -6.876 0.417 -5.189 14 HE3 LYS 2 HE1 LYS 2 -5.243 0.629 -5.818 15 HZ1 LYS 2 HZ1 LYS 2 -6.770 -0.082 -7.545 16 HZ2 LYS 2 HZ2 LYS 2 -7.162 -1.472 -6.666 17 HZ3 LYS 2 HZ3 LYS 2 -5.596 -1.269 -7.271 18 H ARG 3 HN ARG 3 -5.239 -0.861 1.410 19 HA ARG 3 HA ARG 3 -4.068 -3.472 2.029 20 HB2 ARG 3 HB2 ARG 3 -3.613 -0.944 3.523 21 HB3 ARG 3 HB1 ARG 3 -3.852 -2.404 4.472 22 HG2 ARG 3 HG2 ARG 3 -2.011 -3.476 3.260 23 HG3 ARG 3 HG1 ARG 3 -1.768 -1.992 2.338 24 HD2 ARG 3 HD2 ARG 3 -1.269 -0.783 4.397 25 HD3 ARG 3 HD1 ARG 3 -1.545 -2.249 5.336 26 HE ARG 3 HE ARG 3 0.411 -2.810 3.428 27 HH11 ARG 3 HH11 ARG 3 0.068 -0.798 6.285 28 HH12 ARG 3 HH12 ARG 3 1.758 -0.848 6.664 29 HH21 ARG 3 HH21 ARG 3 2.618 -2.862 3.942 30 HH22 ARG 3 HH22 ARG 3 3.199 -2.015 5.337 31 HA PRO 4 HA PRO 4 -7.995 -2.983 4.755 32 HB2 PRO 4 HB2 PRO 4 -9.409 -0.534 4.157 33 HB3 PRO 4 HB1 PRO 4 -8.667 -1.025 5.688 34 HG2 PRO 4 HG2 PRO 4 -7.759 1.048 4.184 35 HG3 PRO 4 HG1 PRO 4 -6.732 0.090 5.271 36 HD2 PRO 4 HD2 PRO 4 -7.051 -0.131 2.300 37 HD3 PRO 4 HD1 PRO 4 -5.573 -0.185 3.281 38 HA PRO 5 HA PRO 5 -10.392 -4.322 1.091 39 HB2 PRO 5 HB2 PRO 5 -11.805 -6.099 2.950 40 HB3 PRO 5 HB1 PRO 5 -10.788 -6.520 1.561 41 HG2 PRO 5 HG2 PRO 5 -10.024 -6.998 4.086 42 HG3 PRO 5 HG1 PRO 5 -8.871 -6.585 2.798 43 HD2 PRO 5 HD2 PRO 5 -9.986 -4.840 4.959 44 HD3 PRO 5 HD1 PRO 5 -8.328 -4.946 4.327 45 H GLY 6 HN GLY 6 -12.122 -3.310 0.325 46 HA2 GLY 6 HA2 GLY 6 -14.381 -2.667 0.240 47 HA3 GLY 6 HA1 GLY 6 -14.504 -2.937 1.970 48 H PHE 7 HN PHE 7 -11.895 -1.039 0.666 49 HA PHE 7 HA PHE 7 -13.233 1.468 1.416 50 HB2 PHE 7 HB2 PHE 7 -10.534 0.497 2.377 51 HB3 PHE 7 HB1 PHE 7 -11.015 2.190 2.449 52 HD1 PHE 7 HD1 PHE 7 -12.627 2.955 4.053 53 HD2 PHE 7 HD2 PHE 7 -11.620 -1.172 3.790 54 HE1 PHE 7 HE1 PHE 7 -13.726 2.553 6.216 55 HE2 PHE 7 HE2 PHE 7 -12.718 -1.581 5.952 56 HZ PHE 7 HZ PHE 7 -13.774 0.282 7.168 57 H SER 8 HN SER 8 -11.678 3.393 0.759 58 HA SER 8 HA SER 8 -11.286 3.162 -2.064 59 HB2 SER 8 HB2 SER 8 -10.914 5.404 -0.068 60 HB3 SER 8 HB1 SER 8 -10.503 5.606 -1.772 61 HG SER 8 HG SER 8 -12.540 5.868 -2.162 62 HA PRO 9 HA PRO 9 -6.834 2.466 -1.988 63 HB2 PRO 9 HB2 PRO 9 -6.088 4.237 -4.145 64 HB3 PRO 9 HB1 PRO 9 -6.370 2.490 -4.214 65 HG2 PRO 9 HG2 PRO 9 -7.959 4.296 -5.466 66 HG3 PRO 9 HG1 PRO 9 -8.536 2.722 -4.882 67 HD2 PRO 9 HD2 PRO 9 -8.753 5.414 -3.573 68 HD3 PRO 9 HD1 PRO 9 -10.006 4.168 -3.795 69 H LEU 10 HN LEU 10 -5.315 3.079 -0.633 70 HA LEU 10 HA LEU 10 -4.467 5.889 -0.515 71 HB2 LEU 10 HB2 LEU 10 -5.151 4.124 1.839 72 HB3 LEU 10 HB1 LEU 10 -4.230 5.607 1.985 73 HG LEU 10 HG LEU 10 -6.365 6.615 0.749 74 HD11 LEU 10 HD11 LEU 10 -8.414 5.565 1.572 75 HD12 LEU 10 HD12 LEU 10 -7.464 4.246 2.258 76 HD13 LEU 10 HD13 LEU 10 -7.513 4.481 0.510 77 HD21 LEU 10 HD21 LEU 10 -5.486 7.369 2.882 78 HD22 LEU 10 HD22 LEU 10 -6.206 5.979 3.691 79 HD23 LEU 10 HD23 LEU 10 -7.240 7.208 2.962 80 H CYS 11 HN CYS 11 -2.291 6.201 0.213 81 HA CYS 11 HA CYS 11 -0.650 3.764 0.269 82 HB2 CYS 11 HB2 CYS 11 0.054 6.290 -1.238 83 HB3 CYS 11 HB1 CYS 11 1.054 4.846 -1.112 84 H THR 12 HN THR 12 0.484 3.606 2.025 85 HA THR 12 HA THR 12 1.304 6.041 3.485 86 HB THR 12 HB THR 12 1.154 3.380 4.867 87 HG1 THR 12 HG1 THR 12 -1.154 4.983 4.879 88 HG21 THR 12 HG21 THR 12 2.038 5.344 6.064 89 HG22 THR 12 HG22 THR 12 0.525 4.798 6.788 90 HG23 THR 12 HG23 THR 12 0.541 6.220 5.745 91 H LYS 13 HN LYS 13 3.298 5.742 4.812 92 HA LYS 13 HA LYS 13 5.527 5.419 4.980 93 HB2 LYS 13 HB2 LYS 13 4.827 2.719 3.806 94 HB3 LYS 13 HB1 LYS 13 6.454 3.149 4.307 95 HG2 LYS 13 HG2 LYS 13 4.210 3.443 6.251 96 HG3 LYS 13 HG1 LYS 13 4.868 1.839 5.918 97 HD2 LYS 13 HD2 LYS 13 7.106 2.636 6.530 98 HD3 LYS 13 HD1 LYS 13 6.444 4.238 6.863 99 HE2 LYS 13 HE2 LYS 13 6.640 3.174 8.960 100 HE3 LYS 13 HE1 LYS 13 4.926 3.116 8.548 101 HZ1 LYS 13 HZ1 LYS 13 6.862 0.887 8.206 102 HZ2 LYS 13 HZ2 LYS 13 5.218 0.829 7.816 103 HZ3 LYS 13 HZ3 LYS 13 5.699 1.005 9.428 104 H SER 14 HN SER 14 6.294 6.977 3.723 105 HA SER 14 HA SER 14 6.287 7.140 0.947 106 HB2 SER 14 HB2 SER 14 8.152 8.818 1.256 107 HB3 SER 14 HB1 SER 14 6.740 9.108 2.271 108 HG SER 14 HG SER 14 8.868 9.215 3.321 109 H ILE 15 HN ILE 15 8.505 5.438 3.026 110 HA ILE 15 HA ILE 15 9.712 4.183 0.713 111 HB ILE 15 HB ILE 15 11.178 6.115 1.043 112 HG12 ILE 15 HG12 ILE 15 13.369 4.743 1.603 113 HG13 ILE 15 HG11 ILE 15 12.268 3.373 1.518 114 HG21 ILE 15 HG21 ILE 15 11.714 5.055 3.811 115 HG22 ILE 15 HG22 ILE 15 10.884 6.555 3.396 116 HG23 ILE 15 HG23 ILE 15 12.598 6.366 3.026 117 HD11 ILE 15 HD11 ILE 15 11.652 4.011 -0.756 118 HD12 ILE 15 HD12 ILE 15 13.386 3.740 -0.603 119 HD13 ILE 15 HD13 ILE 15 12.754 5.385 -0.668 120 HA PRO 16 HA PRO 16 10.023 2.320 0.017 121 HB2 PRO 16 HB2 PRO 16 8.604 -0.221 0.315 122 HB3 PRO 16 HB1 PRO 16 10.232 0.066 -0.323 123 HG2 PRO 16 HG2 PRO 16 9.790 -1.218 2.007 124 HG3 PRO 16 HG1 PRO 16 11.235 -0.230 1.705 125 HD2 PRO 16 HD2 PRO 16 8.744 0.492 3.209 126 HD3 PRO 16 HD1 PRO 16 10.444 0.791 3.634 127 HA PRO 17 HA PRO 17 5.674 3.339 -0.669 128 HB2 PRO 17 HB2 PRO 17 5.345 2.143 -3.271 129 HB3 PRO 17 HB1 PRO 17 5.705 3.834 -2.885 130 HG2 PRO 17 HG2 PRO 17 7.474 2.201 -4.164 131 HG3 PRO 17 HG1 PRO 17 7.969 3.563 -3.135 132 HD2 PRO 17 HD2 PRO 17 7.784 0.645 -2.443 133 HD3 PRO 17 HD1 PRO 17 9.105 1.794 -2.118 134 H ILE 18 HN ILE 18 3.744 2.635 -0.064 135 HA ILE 18 HA ILE 18 2.936 -0.134 -0.628 136 HB ILE 18 HB ILE 18 2.714 1.244 2.068 137 HG12 ILE 18 HG12 ILE 18 4.923 0.301 1.753 138 HG13 ILE 18 HG11 ILE 18 4.044 -0.690 2.905 139 HG21 ILE 18 HG21 ILE 18 1.571 -1.432 1.256 140 HG22 ILE 18 HG22 ILE 18 0.658 0.021 1.662 141 HG23 ILE 18 HG23 ILE 18 1.615 -0.792 2.901 142 HD11 ILE 18 HD11 ILE 18 5.227 -2.188 1.532 143 HD12 ILE 18 HD12 ILE 18 4.764 -1.337 0.059 144 HD13 ILE 18 HD13 ILE 18 3.559 -2.257 0.959 Start of MODEL 4 1 H CYS 1 HN CYS 1 1.413 -0.460 -0.354 2 HA CYS 1 HA CYS 1 -0.127 1.929 -0.965 3 HB2 CYS 1 HB2 CYS 1 1.659 2.130 -2.592 4 HB3 CYS 1 HB1 CYS 1 1.494 0.443 -3.052 5 H LYS 2 HN LYS 2 -2.191 1.461 -1.604 6 HA LYS 2 HA LYS 2 -4.124 0.326 -1.939 7 HB2 LYS 2 HB2 LYS 2 -2.274 -1.831 -2.968 8 HB3 LYS 2 HB1 LYS 2 -4.024 -1.997 -2.959 9 HG2 LYS 2 HG2 LYS 2 -4.219 -0.035 -4.405 10 HG3 LYS 2 HG1 LYS 2 -2.462 0.128 -4.416 11 HD2 LYS 2 HD2 LYS 2 -2.268 -2.082 -5.455 12 HD3 LYS 2 HD1 LYS 2 -4.024 -2.244 -5.440 13 HE2 LYS 2 HE2 LYS 2 -4.214 -0.289 -6.899 14 HE3 LYS 2 HE1 LYS 2 -2.458 -0.127 -6.912 15 HZ1 LYS 2 HZ1 LYS 2 -2.304 -2.299 -7.963 16 HZ2 LYS 2 HZ2 LYS 2 -3.255 -1.253 -8.891 17 HZ3 LYS 2 HZ3 LYS 2 -3.989 -2.452 -7.951 18 H ARG 3 HN ARG 3 -5.537 -0.821 -0.711 19 HA ARG 3 HA ARG 3 -4.420 -2.534 1.407 20 HB2 ARG 3 HB2 ARG 3 -6.387 -0.265 1.676 21 HB3 ARG 3 HB1 ARG 3 -6.277 -1.537 2.883 22 HG2 ARG 3 HG2 ARG 3 -3.931 -0.970 3.271 23 HG3 ARG 3 HG1 ARG 3 -4.040 0.305 2.056 24 HD2 ARG 3 HD2 ARG 3 -5.759 1.426 3.392 25 HD3 ARG 3 HD1 ARG 3 -5.646 0.151 4.605 26 HE ARG 3 HE ARG 3 -3.094 1.229 4.226 27 HH11 ARG 3 HH11 ARG 3 -6.192 2.234 5.543 28 HH12 ARG 3 HH12 ARG 3 -5.484 3.359 6.653 29 HH21 ARG 3 HH21 ARG 3 -2.191 2.708 5.687 30 HH22 ARG 3 HH22 ARG 3 -3.220 3.626 6.735 31 HA PRO 4 HA PRO 4 -7.542 -5.597 0.444 32 HB2 PRO 4 HB2 PRO 4 -8.374 -5.612 3.309 33 HB3 PRO 4 HB1 PRO 4 -7.838 -6.958 2.286 34 HG2 PRO 4 HG2 PRO 4 -6.236 -5.994 4.135 35 HG3 PRO 4 HG1 PRO 4 -5.602 -6.445 2.538 36 HD2 PRO 4 HD2 PRO 4 -6.198 -3.727 3.631 37 HD3 PRO 4 HD1 PRO 4 -4.829 -4.271 2.643 38 HA PRO 5 HA PRO 5 -11.625 -3.831 -0.111 39 HB2 PRO 5 HB2 PRO 5 -12.859 -6.271 1.081 40 HB3 PRO 5 HB1 PRO 5 -13.155 -5.511 -0.495 41 HG2 PRO 5 HG2 PRO 5 -11.779 -7.750 -0.347 42 HG3 PRO 5 HG1 PRO 5 -11.287 -6.457 -1.462 43 HD2 PRO 5 HD2 PRO 5 -10.104 -7.225 1.174 44 HD3 PRO 5 HD1 PRO 5 -9.297 -6.719 -0.323 45 H GLY 6 HN GLY 6 -13.263 -2.735 0.938 46 HA2 GLY 6 HA2 GLY 6 -14.674 -2.619 3.008 47 HA3 GLY 6 HA1 GLY 6 -13.169 -2.808 3.893 48 H PHE 7 HN PHE 7 -11.675 -1.084 2.054 49 HA PHE 7 HA PHE 7 -12.866 1.546 2.637 50 HB2 PHE 7 HB2 PHE 7 -10.032 0.636 3.176 51 HB3 PHE 7 HB1 PHE 7 -10.496 2.332 3.127 52 HD1 PHE 7 HD1 PHE 7 -11.858 3.300 4.880 53 HD2 PHE 7 HD2 PHE 7 -10.717 -0.798 4.995 54 HE1 PHE 7 HE1 PHE 7 -12.509 3.190 7.251 55 HE2 PHE 7 HE2 PHE 7 -11.367 -0.916 7.366 56 HZ PHE 7 HZ PHE 7 -12.264 1.078 8.496 57 H SER 8 HN SER 8 -11.629 3.329 1.399 58 HA SER 8 HA SER 8 -11.672 2.646 -1.376 59 HB2 SER 8 HB2 SER 8 -11.303 5.070 -1.727 60 HB3 SER 8 HB1 SER 8 -12.564 4.790 -0.529 61 HG SER 8 HG SER 8 -10.221 4.912 0.727 62 HA PRO 9 HA PRO 9 -7.223 2.164 -1.929 63 HB2 PRO 9 HB2 PRO 9 -6.936 3.620 -4.415 64 HB3 PRO 9 HB1 PRO 9 -7.084 1.870 -4.181 65 HG2 PRO 9 HG2 PRO 9 -8.981 3.353 -5.418 66 HG3 PRO 9 HG1 PRO 9 -9.342 1.873 -4.506 67 HD2 PRO 9 HD2 PRO 9 -9.551 4.731 -3.619 68 HD3 PRO 9 HD1 PRO 9 -10.735 3.413 -3.442 69 H LEU 10 HN LEU 10 -5.668 3.076 -0.790 70 HA LEU 10 HA LEU 10 -4.878 5.850 -1.328 71 HB2 LEU 10 HB2 LEU 10 -5.377 4.670 1.409 72 HB3 LEU 10 HB1 LEU 10 -4.514 6.172 1.138 73 HG LEU 10 HG LEU 10 -6.777 6.767 -0.166 74 HD11 LEU 10 HD11 LEU 10 -7.643 4.860 2.004 75 HD12 LEU 10 HD12 LEU 10 -7.827 4.610 0.269 76 HD13 LEU 10 HD13 LEU 10 -8.704 5.913 1.068 77 HD21 LEU 10 HD21 LEU 10 -6.368 6.943 2.817 78 HD22 LEU 10 HD22 LEU 10 -7.515 7.902 1.882 79 HD23 LEU 10 HD23 LEU 10 -5.782 8.087 1.611 80 H CYS 11 HN CYS 11 -2.745 6.084 -1.562 81 HA CYS 11 HA CYS 11 -0.961 4.019 -0.459 82 HB2 CYS 11 HB2 CYS 11 -0.783 5.225 -3.229 83 HB3 CYS 11 HB1 CYS 11 0.399 4.129 -2.517 84 H THR 12 HN THR 12 1.145 4.675 0.054 85 HA THR 12 HA THR 12 1.381 7.467 0.751 86 HB THR 12 HB THR 12 3.471 6.606 1.934 87 HG1 THR 12 HG1 THR 12 2.390 4.051 1.890 88 HG21 THR 12 HG21 THR 12 0.791 5.441 2.733 89 HG22 THR 12 HG22 THR 12 1.378 7.051 3.152 90 HG23 THR 12 HG23 THR 12 2.185 5.624 3.798 91 H LYS 13 HN LYS 13 3.911 5.230 -0.252 92 HA LYS 13 HA LYS 13 4.636 6.831 -2.573 93 HB2 LYS 13 HB2 LYS 13 6.395 6.544 -0.138 94 HB3 LYS 13 HB1 LYS 13 7.082 6.839 -1.728 95 HG2 LYS 13 HG2 LYS 13 5.815 8.917 -1.898 96 HG3 LYS 13 HG1 LYS 13 5.107 8.618 -0.311 97 HD2 LYS 13 HD2 LYS 13 7.340 8.688 0.694 98 HD3 LYS 13 HD1 LYS 13 8.043 8.994 -0.896 99 HE2 LYS 13 HE2 LYS 13 6.774 11.080 -1.054 100 HE3 LYS 13 HE1 LYS 13 6.067 10.773 0.531 101 HZ1 LYS 13 HZ1 LYS 13 7.918 12.315 0.675 102 HZ2 LYS 13 HZ2 LYS 13 8.958 11.177 -0.024 103 HZ3 LYS 13 HZ3 LYS 13 8.280 10.881 1.497 104 H SER 14 HN SER 14 3.718 4.052 -1.869 105 HA SER 14 HA SER 14 3.945 1.942 -2.632 106 HB2 SER 14 HB2 SER 14 6.195 3.020 -4.342 107 HB3 SER 14 HB1 SER 14 5.475 1.418 -4.506 108 HG SER 14 HG SER 14 3.908 3.762 -4.632 109 H ILE 15 HN ILE 15 7.318 2.987 -2.507 110 HA ILE 15 HA ILE 15 7.817 1.321 -0.185 111 HB ILE 15 HB ILE 15 9.851 0.273 -1.174 112 HG12 ILE 15 HG12 ILE 15 9.505 -0.002 -3.816 113 HG13 ILE 15 HG11 ILE 15 8.850 1.624 -3.627 114 HG21 ILE 15 HG21 ILE 15 7.852 -1.029 -0.853 115 HG22 ILE 15 HG22 ILE 15 8.663 -1.527 -2.339 116 HG23 ILE 15 HG23 ILE 15 7.226 -0.507 -2.417 117 HD11 ILE 15 HD11 ILE 15 11.210 1.682 -4.179 118 HD12 ILE 15 HD12 ILE 15 11.575 0.713 -2.753 119 HD13 ILE 15 HD13 ILE 15 10.918 2.338 -2.569 120 HA PRO 16 HA PRO 16 10.137 0.728 1.073 121 HB2 PRO 16 HB2 PRO 16 10.193 2.609 3.383 122 HB3 PRO 16 HB1 PRO 16 11.256 1.239 3.011 123 HG2 PRO 16 HG2 PRO 16 12.124 3.696 2.676 124 HG3 PRO 16 HG1 PRO 16 12.500 2.439 1.478 125 HD2 PRO 16 HD2 PRO 16 10.458 4.620 1.337 126 HD3 PRO 16 HD1 PRO 16 11.562 4.029 0.080 127 HA PRO 17 HA PRO 17 6.167 1.927 3.868 128 HB2 PRO 17 HB2 PRO 17 4.470 3.653 2.502 129 HB3 PRO 17 HB1 PRO 17 5.556 4.128 3.821 130 HG2 PRO 17 HG2 PRO 17 5.981 4.345 0.866 131 HG3 PRO 17 HG1 PRO 17 6.346 5.524 2.144 132 HD2 PRO 17 HD2 PRO 17 8.277 4.050 1.103 133 HD3 PRO 17 HD1 PRO 17 8.235 4.371 2.850 134 H ILE 18 HN ILE 18 3.523 2.254 2.503 135 HA ILE 18 HA ILE 18 3.590 -0.101 0.743 136 HB ILE 18 HB ILE 18 2.839 -0.394 3.259 137 HG12 ILE 18 HG12 ILE 18 1.056 -2.122 2.280 138 HG13 ILE 18 HG11 ILE 18 1.836 -1.676 0.767 139 HG21 ILE 18 HG21 ILE 18 0.409 -0.329 3.556 140 HG22 ILE 18 HG22 ILE 18 0.245 0.452 1.985 141 HG23 ILE 18 HG23 ILE 18 1.090 1.277 3.294 142 HD11 ILE 18 HD11 ILE 18 3.995 -2.350 1.683 143 HD12 ILE 18 HD12 ILE 18 2.831 -3.674 1.716 144 HD13 ILE 18 HD13 ILE 18 3.212 -2.797 3.198 Start of MODEL 5 1 H CYS 1 HN CYS 1 1.009 -0.006 -0.064 2 HA CYS 1 HA CYS 1 -0.609 2.230 -1.002 3 HB2 CYS 1 HB2 CYS 1 1.415 2.373 -2.401 4 HB3 CYS 1 HB1 CYS 1 1.229 0.688 -2.864 5 H LYS 2 HN LYS 2 -1.090 -0.241 0.427 6 HA LYS 2 HA LYS 2 -3.080 -1.440 -1.358 7 HB2 LYS 2 HB2 LYS 2 -1.028 -2.989 0.231 8 HB3 LYS 2 HB1 LYS 2 -2.501 -3.714 -0.395 9 HG2 LYS 2 HG2 LYS 2 -1.803 -3.120 -2.677 10 HG3 LYS 2 HG1 LYS 2 -0.309 -2.445 -2.026 11 HD2 LYS 2 HD2 LYS 2 0.285 -4.647 -1.121 12 HD3 LYS 2 HD1 LYS 2 -1.206 -5.319 -1.781 13 HE2 LYS 2 HE2 LYS 2 0.492 -5.888 -3.317 14 HE3 LYS 2 HE1 LYS 2 -0.393 -4.550 -4.050 15 HZ1 LYS 2 HZ1 LYS 2 1.994 -4.263 -4.281 16 HZ2 LYS 2 HZ2 LYS 2 2.192 -4.325 -2.603 17 HZ3 LYS 2 HZ3 LYS 2 1.346 -3.042 -3.306 18 H ARG 3 HN ARG 3 -4.949 -2.085 -0.370 19 HA ARG 3 HA ARG 3 -5.124 -1.951 2.546 20 HB2 ARG 3 HB2 ARG 3 -7.355 -0.650 2.230 21 HB3 ARG 3 HB1 ARG 3 -5.852 0.247 2.106 22 HG2 ARG 3 HG2 ARG 3 -7.004 1.088 0.316 23 HG3 ARG 3 HG1 ARG 3 -6.139 -0.236 -0.464 24 HD2 ARG 3 HD2 ARG 3 -8.144 -1.658 -0.178 25 HD3 ARG 3 HD1 ARG 3 -8.997 -0.275 0.504 26 HE ARG 3 HE ARG 3 -8.220 0.704 -1.851 27 HH11 ARG 3 HH11 ARG 3 -9.757 -2.363 -1.096 28 HH12 ARG 3 HH12 ARG 3 -10.552 -2.474 -2.631 29 HH21 ARG 3 HH21 ARG 3 -9.271 0.539 -3.853 30 HH22 ARG 3 HH22 ARG 3 -10.276 -0.832 -4.191 31 HA PRO 4 HA PRO 4 -7.861 -5.450 2.024 32 HB2 PRO 4 HB2 PRO 4 -9.573 -4.689 4.266 33 HB3 PRO 4 HB1 PRO 4 -8.371 -5.987 4.184 34 HG2 PRO 4 HG2 PRO 4 -8.045 -3.809 5.731 35 HG3 PRO 4 HG1 PRO 4 -6.687 -4.675 4.985 36 HD2 PRO 4 HD2 PRO 4 -8.021 -2.146 4.096 37 HD3 PRO 4 HD1 PRO 4 -6.292 -2.542 4.176 38 HA PRO 5 HA PRO 5 -11.651 -4.353 -0.110 39 HB2 PRO 5 HB2 PRO 5 -13.167 -6.533 1.188 40 HB3 PRO 5 HB1 PRO 5 -12.766 -6.306 -0.525 41 HG2 PRO 5 HG2 PRO 5 -11.607 -8.215 0.913 42 HG3 PRO 5 HG1 PRO 5 -10.714 -7.314 -0.329 43 HD2 PRO 5 HD2 PRO 5 -10.666 -6.969 2.644 44 HD3 PRO 5 HD1 PRO 5 -9.320 -6.962 1.486 45 H GLY 6 HN GLY 6 -13.193 -2.879 0.195 46 HA2 GLY 6 HA2 GLY 6 -15.251 -2.195 1.310 47 HA3 GLY 6 HA1 GLY 6 -14.540 -2.736 2.821 48 H PHE 7 HN PHE 7 -12.105 -1.255 1.175 49 HA PHE 7 HA PHE 7 -12.735 1.433 2.197 50 HB2 PHE 7 HB2 PHE 7 -10.184 -0.139 2.612 51 HB3 PHE 7 HB1 PHE 7 -10.293 1.598 2.867 52 HD1 PHE 7 HD1 PHE 7 -11.513 2.507 4.748 53 HD2 PHE 7 HD2 PHE 7 -11.250 -1.694 4.124 54 HE1 PHE 7 HE1 PHE 7 -12.300 2.121 7.048 55 HE2 PHE 7 HE2 PHE 7 -12.038 -2.089 6.422 56 HZ PHE 7 HZ PHE 7 -12.564 -0.180 7.886 57 H SER 8 HN SER 8 -11.266 3.134 1.271 58 HA SER 8 HA SER 8 -11.072 2.756 -1.583 59 HB2 SER 8 HB2 SER 8 -10.732 5.141 0.248 60 HB3 SER 8 HB1 SER 8 -10.401 5.246 -1.482 61 HG SER 8 HG SER 8 -12.762 5.310 -0.204 62 HA PRO 9 HA PRO 9 -6.598 2.223 -1.675 63 HB2 PRO 9 HB2 PRO 9 -6.022 4.041 -3.869 64 HB3 PRO 9 HB1 PRO 9 -6.129 2.272 -3.901 65 HG2 PRO 9 HG2 PRO 9 -7.908 3.844 -5.170 66 HG3 PRO 9 HG1 PRO 9 -8.344 2.270 -4.470 67 HD2 PRO 9 HD2 PRO 9 -8.715 5.014 -3.312 68 HD3 PRO 9 HD1 PRO 9 -9.890 3.682 -3.436 69 H LEU 10 HN LEU 10 -4.838 2.922 -0.626 70 HA LEU 10 HA LEU 10 -4.399 5.815 -0.332 71 HB2 LEU 10 HB2 LEU 10 -5.497 4.604 1.686 72 HB3 LEU 10 HB1 LEU 10 -3.911 3.906 1.941 73 HG LEU 10 HG LEU 10 -3.140 6.433 1.895 74 HD11 LEU 10 HD11 LEU 10 -5.317 7.356 1.316 75 HD12 LEU 10 HD12 LEU 10 -4.802 7.914 2.908 76 HD13 LEU 10 HD13 LEU 10 -6.019 6.644 2.769 77 HD21 LEU 10 HD21 LEU 10 -3.396 6.493 4.333 78 HD22 LEU 10 HD22 LEU 10 -2.846 4.915 3.769 79 HD23 LEU 10 HD23 LEU 10 -4.530 5.146 4.240 80 H CYS 11 HN CYS 11 -2.539 6.254 -1.274 81 HA CYS 11 HA CYS 11 -0.191 4.579 -0.713 82 HB2 CYS 11 HB2 CYS 11 -0.756 5.696 -3.464 83 HB3 CYS 11 HB1 CYS 11 0.512 4.568 -2.999 84 H THR 12 HN THR 12 1.663 5.727 -0.340 85 HA THR 12 HA THR 12 1.437 8.624 -0.333 86 HB THR 12 HB THR 12 3.674 8.322 0.989 87 HG1 THR 12 HG1 THR 12 2.543 5.913 1.830 88 HG21 THR 12 HG21 THR 12 0.986 7.562 2.159 89 HG22 THR 12 HG22 THR 12 1.595 9.205 1.957 90 HG23 THR 12 HG23 THR 12 2.386 8.105 3.086 91 H LYS 13 HN LYS 13 3.883 6.193 -1.125 92 HA LYS 13 HA LYS 13 4.769 7.813 -3.399 93 HB2 LYS 13 HB2 LYS 13 6.548 6.864 -1.153 94 HB3 LYS 13 HB1 LYS 13 7.183 7.289 -2.735 95 HG2 LYS 13 HG2 LYS 13 6.300 9.553 -2.485 96 HG3 LYS 13 HG1 LYS 13 5.657 9.127 -0.898 97 HD2 LYS 13 HD2 LYS 13 7.928 8.657 -0.108 98 HD3 LYS 13 HD1 LYS 13 8.568 9.088 -1.696 99 HE2 LYS 13 HE2 LYS 13 7.691 11.357 -1.430 100 HE3 LYS 13 HE1 LYS 13 7.051 10.925 0.154 101 HZ1 LYS 13 HZ1 LYS 13 9.921 10.916 -0.611 102 HZ2 LYS 13 HZ2 LYS 13 9.307 10.504 0.910 103 HZ3 LYS 13 HZ3 LYS 13 9.156 12.089 0.338 104 H SER 14 HN SER 14 3.654 4.950 -2.408 105 HA SER 14 HA SER 14 3.429 2.909 -3.345 106 HB2 SER 14 HB2 SER 14 5.202 3.924 -5.571 107 HB3 SER 14 HB1 SER 14 4.316 2.399 -5.594 108 HG SER 14 HG SER 14 2.382 3.646 -5.382 109 H ILE 15 HN ILE 15 6.765 4.022 -3.478 110 HA ILE 15 HA ILE 15 7.580 1.630 -2.035 111 HB ILE 15 HB ILE 15 7.935 1.110 -4.432 112 HG12 ILE 15 HG12 ILE 15 10.560 0.755 -4.182 113 HG13 ILE 15 HG11 ILE 15 10.219 1.217 -2.519 114 HG21 ILE 15 HG21 ILE 15 8.376 3.308 -5.331 115 HG22 ILE 15 HG22 ILE 15 9.704 2.216 -5.721 116 HG23 ILE 15 HG23 ILE 15 9.889 3.404 -4.430 117 HD11 ILE 15 HD11 ILE 15 9.020 -1.090 -4.034 118 HD12 ILE 15 HD12 ILE 15 8.541 -0.597 -2.410 119 HD13 ILE 15 HD13 ILE 15 10.181 -1.172 -2.711 120 HA PRO 16 HA PRO 16 8.799 0.957 -0.700 121 HB2 PRO 16 HB2 PRO 16 10.215 1.006 1.633 122 HB3 PRO 16 HB1 PRO 16 10.947 0.786 0.037 123 HG2 PRO 16 HG2 PRO 16 11.224 3.018 1.836 124 HG3 PRO 16 HG1 PRO 16 12.046 2.726 0.295 125 HD2 PRO 16 HD2 PRO 16 9.692 4.404 0.862 126 HD3 PRO 16 HD1 PRO 16 10.826 4.471 -0.504 127 HA PRO 17 HA PRO 17 6.265 2.562 3.148 128 HB2 PRO 17 HB2 PRO 17 4.281 4.205 1.776 129 HB3 PRO 17 HB1 PRO 17 5.364 4.657 3.103 130 HG2 PRO 17 HG2 PRO 17 5.624 5.684 0.613 131 HG3 PRO 17 HG1 PRO 17 7.015 5.417 1.688 132 HD2 PRO 17 HD2 PRO 17 6.006 3.681 -0.542 133 HD3 PRO 17 HD1 PRO 17 7.667 4.209 -0.193 134 H ILE 18 HN ILE 18 3.284 3.087 2.094 135 HA ILE 18 HA ILE 18 2.733 0.314 1.283 136 HB ILE 18 HB ILE 18 1.206 1.887 3.376 137 HG12 ILE 18 HG12 ILE 18 3.242 0.974 4.320 138 HG13 ILE 18 HG11 ILE 18 1.871 0.065 4.931 139 HG21 ILE 18 HG21 ILE 18 -0.204 -0.101 3.683 140 HG22 ILE 18 HG22 ILE 18 0.590 -0.866 2.308 141 HG23 ILE 18 HG23 ILE 18 -0.372 0.593 2.070 142 HD11 ILE 18 HD11 ILE 18 2.414 -1.682 3.177 143 HD12 ILE 18 HD12 ILE 18 3.580 -1.503 4.488 144 HD13 ILE 18 HD13 ILE 18 3.920 -0.804 2.905 Start of MODEL 6 1 H CYS 1 HN CYS 1 1.356 -1.519 -1.377 2 HA CYS 1 HA CYS 1 -0.504 0.514 -2.261 3 HB2 CYS 1 HB2 CYS 1 0.990 -0.839 -4.200 4 HB3 CYS 1 HB1 CYS 1 -0.601 -1.592 -4.223 5 H LYS 2 HN LYS 2 -2.658 -0.100 -2.270 6 HA LYS 2 HA LYS 2 -4.529 -1.123 -1.513 7 HB2 LYS 2 HB2 LYS 2 -2.923 -3.606 -2.134 8 HB3 LYS 2 HB1 LYS 2 -4.586 -3.667 -1.567 9 HG2 LYS 2 HG2 LYS 2 -5.301 -2.387 -3.522 10 HG3 LYS 2 HG1 LYS 2 -3.631 -2.323 -4.089 11 HD2 LYS 2 HD2 LYS 2 -3.590 -4.766 -4.241 12 HD3 LYS 2 HD1 LYS 2 -5.259 -4.830 -3.671 13 HE2 LYS 2 HE2 LYS 2 -5.974 -3.557 -5.636 14 HE3 LYS 2 HE1 LYS 2 -4.306 -3.493 -6.201 15 HZ1 LYS 2 HZ1 LYS 2 -5.549 -5.240 -7.310 16 HZ2 LYS 2 HZ2 LYS 2 -5.909 -5.966 -5.825 17 HZ3 LYS 2 HZ3 LYS 2 -4.309 -5.904 -6.369 18 H ARG 3 HN ARG 3 -5.064 -0.754 0.519 19 HA ARG 3 HA ARG 3 -3.717 -2.308 2.623 20 HB2 ARG 3 HB2 ARG 3 -3.443 0.448 2.272 21 HB3 ARG 3 HB1 ARG 3 -4.597 0.288 3.587 22 HG2 ARG 3 HG2 ARG 3 -2.008 -1.226 3.622 23 HG3 ARG 3 HG1 ARG 3 -2.091 0.453 4.146 24 HD2 ARG 3 HD2 ARG 3 -2.316 -0.874 6.096 25 HD3 ARG 3 HD1 ARG 3 -3.922 -0.246 5.733 26 HE ARG 3 HE ARG 3 -3.678 -2.750 4.517 27 HH11 ARG 3 HH11 ARG 3 -3.818 -1.438 7.772 28 HH12 ARG 3 HH12 ARG 3 -4.510 -2.875 8.444 29 HH21 ARG 3 HH21 ARG 3 -4.583 -4.621 5.419 30 HH22 ARG 3 HH22 ARG 3 -4.943 -4.676 7.113 31 HA PRO 4 HA PRO 4 -8.174 -1.460 4.236 32 HB2 PRO 4 HB2 PRO 4 -9.762 -0.215 2.133 33 HB3 PRO 4 HB1 PRO 4 -9.437 0.377 3.771 34 HG2 PRO 4 HG2 PRO 4 -8.453 1.588 1.577 35 HG3 PRO 4 HG1 PRO 4 -7.600 1.568 3.134 36 HD2 PRO 4 HD2 PRO 4 -7.148 -0.153 0.722 37 HD3 PRO 4 HD1 PRO 4 -5.958 0.672 1.755 38 HA PRO 5 HA PRO 5 -9.867 -5.110 2.247 39 HB2 PRO 5 HB2 PRO 5 -12.396 -4.731 3.697 40 HB3 PRO 5 HB1 PRO 5 -11.204 -6.033 3.850 41 HG2 PRO 5 HG2 PRO 5 -11.553 -4.220 5.777 42 HG3 PRO 5 HG1 PRO 5 -9.959 -4.910 5.406 43 HD2 PRO 5 HD2 PRO 5 -11.085 -2.249 4.631 44 HD3 PRO 5 HD1 PRO 5 -9.461 -2.664 5.214 45 H GLY 6 HN GLY 6 -11.590 -2.107 2.148 46 HA2 GLY 6 HA2 GLY 6 -12.279 -1.944 -0.423 47 HA3 GLY 6 HA1 GLY 6 -13.515 -3.040 0.171 48 H PHE 7 HN PHE 7 -12.020 0.059 1.127 49 HA PHE 7 HA PHE 7 -14.712 1.163 1.482 50 HB2 PHE 7 HB2 PHE 7 -12.405 1.304 3.397 51 HB3 PHE 7 HB1 PHE 7 -13.658 2.540 3.401 52 HD1 PHE 7 HD1 PHE 7 -12.912 -0.991 4.050 53 HD2 PHE 7 HD2 PHE 7 -15.864 2.069 4.215 54 HE1 PHE 7 HE1 PHE 7 -14.310 -2.422 5.483 55 HE2 PHE 7 HE2 PHE 7 -17.266 0.644 5.648 56 HZ PHE 7 HZ PHE 7 -16.491 -1.605 6.284 57 H SER 8 HN SER 8 -11.299 2.069 1.323 58 HA SER 8 HA SER 8 -11.920 4.043 -0.714 59 HB2 SER 8 HB2 SER 8 -10.525 4.733 1.893 60 HB3 SER 8 HB1 SER 8 -10.529 5.791 0.483 61 HG SER 8 HG SER 8 -12.376 5.576 2.364 62 HA PRO 9 HA PRO 9 -7.817 2.645 -2.008 63 HB2 PRO 9 HB2 PRO 9 -7.129 4.788 -3.707 64 HB3 PRO 9 HB1 PRO 9 -8.144 3.402 -4.137 65 HG2 PRO 9 HG2 PRO 9 -8.992 6.054 -4.013 66 HG3 PRO 9 HG1 PRO 9 -10.040 4.624 -4.047 67 HD2 PRO 9 HD2 PRO 9 -9.113 6.240 -1.703 68 HD3 PRO 9 HD1 PRO 9 -10.715 5.531 -2.024 69 H LEU 10 HN LEU 10 -5.990 2.528 -0.918 70 HA LEU 10 HA LEU 10 -4.373 4.917 -0.449 71 HB2 LEU 10 HB2 LEU 10 -5.254 2.992 1.706 72 HB3 LEU 10 HB1 LEU 10 -3.858 4.037 1.886 73 HG LEU 10 HG LEU 10 -6.495 5.270 1.203 74 HD11 LEU 10 HD11 LEU 10 -7.090 3.819 3.019 75 HD12 LEU 10 HD12 LEU 10 -6.966 5.467 3.632 76 HD13 LEU 10 HD13 LEU 10 -5.670 4.313 3.939 77 HD21 LEU 10 HD21 LEU 10 -4.485 6.659 1.234 78 HD22 LEU 10 HD22 LEU 10 -4.152 6.155 2.891 79 HD23 LEU 10 HD23 LEU 10 -5.588 7.115 2.532 80 H CYS 11 HN CYS 11 -2.276 4.556 -0.896 81 HA CYS 11 HA CYS 11 -1.339 1.778 -0.940 82 HB2 CYS 11 HB2 CYS 11 -1.187 3.819 -3.132 83 HB3 CYS 11 HB1 CYS 11 0.076 2.602 -3.003 84 H THR 12 HN THR 12 -0.607 2.646 1.237 85 HA THR 12 HA THR 12 2.214 3.137 1.091 86 HB THR 12 HB THR 12 0.910 5.198 2.822 87 HG1 THR 12 HG1 THR 12 1.292 5.541 0.003 88 HG21 THR 12 HG21 THR 12 3.351 4.865 2.834 89 HG22 THR 12 HG22 THR 12 2.947 6.458 2.193 90 HG23 THR 12 HG23 THR 12 3.410 5.158 1.094 91 H LYS 13 HN LYS 13 3.293 2.807 3.067 92 HA LYS 13 HA LYS 13 1.660 1.727 5.253 93 HB2 LYS 13 HB2 LYS 13 3.008 0.078 3.663 94 HB3 LYS 13 HB1 LYS 13 4.343 0.544 4.706 95 HG2 LYS 13 HG2 LYS 13 3.094 -0.227 6.659 96 HG3 LYS 13 HG1 LYS 13 1.746 -0.689 5.615 97 HD2 LYS 13 HD2 LYS 13 3.205 -2.278 4.448 98 HD3 LYS 13 HD1 LYS 13 4.544 -1.818 5.500 99 HE2 LYS 13 HE2 LYS 13 3.288 -2.609 7.443 100 HE3 LYS 13 HE1 LYS 13 1.945 -3.060 6.394 101 HZ1 LYS 13 HZ1 LYS 13 3.313 -4.968 6.939 102 HZ2 LYS 13 HZ2 LYS 13 4.681 -4.210 6.296 103 HZ3 LYS 13 HZ3 LYS 13 3.398 -4.640 5.281 104 H SER 14 HN SER 14 5.042 2.480 4.563 105 HA SER 14 HA SER 14 5.190 4.611 6.462 106 HB2 SER 14 HB2 SER 14 5.357 2.605 7.969 107 HB3 SER 14 HB1 SER 14 6.817 2.136 7.099 108 HG SER 14 HG SER 14 6.454 4.066 9.011 109 H ILE 15 HN ILE 15 7.481 2.233 5.214 110 HA ILE 15 HA ILE 15 8.497 3.703 3.076 111 HB ILE 15 HB ILE 15 9.344 5.268 4.802 112 HG12 ILE 15 HG12 ILE 15 11.903 4.972 4.167 113 HG13 ILE 15 HG11 ILE 15 11.248 3.785 3.043 114 HG21 ILE 15 HG21 ILE 15 9.677 3.778 6.671 115 HG22 ILE 15 HG22 ILE 15 11.170 4.645 6.313 116 HG23 ILE 15 HG23 ILE 15 10.990 2.961 5.822 117 HD11 ILE 15 HD11 ILE 15 11.510 5.920 1.953 118 HD12 ILE 15 HD12 ILE 15 10.523 6.704 3.187 119 HD13 ILE 15 HD13 ILE 15 9.796 5.528 2.092 120 HA PRO 16 HA PRO 16 9.753 3.329 1.307 121 HB2 PRO 16 HB2 PRO 16 9.406 1.033 -0.508 122 HB3 PRO 16 HB1 PRO 16 10.689 2.254 -0.494 123 HG2 PRO 16 HG2 PRO 16 11.167 -0.285 0.176 124 HG3 PRO 16 HG1 PRO 16 11.998 1.071 0.968 125 HD2 PRO 16 HD2 PRO 16 9.646 -0.515 1.940 126 HD3 PRO 16 HD1 PRO 16 11.117 -0.032 2.817 127 HA PRO 17 HA PRO 17 5.317 3.305 0.438 128 HB2 PRO 17 HB2 PRO 17 5.435 3.319 -2.497 129 HB3 PRO 17 HB1 PRO 17 4.924 4.610 -1.392 130 HG2 PRO 17 HG2 PRO 17 7.197 4.816 -2.793 131 HG3 PRO 17 HG1 PRO 17 7.073 5.439 -1.132 132 HD2 PRO 17 HD2 PRO 17 8.241 2.843 -2.085 133 HD3 PRO 17 HD1 PRO 17 8.927 4.034 -0.956 134 H ILE 18 HN ILE 18 3.463 2.129 -0.215 135 HA ILE 18 HA ILE 18 3.943 -0.481 -1.468 136 HB ILE 18 HB ILE 18 3.910 -0.440 1.140 137 HG12 ILE 18 HG12 ILE 18 2.352 -2.623 1.001 138 HG13 ILE 18 HG11 ILE 18 2.627 -2.369 -0.718 139 HG21 ILE 18 HG21 ILE 18 0.973 -0.175 0.582 140 HG22 ILE 18 HG22 ILE 18 1.984 0.808 1.644 141 HG23 ILE 18 HG23 ILE 18 1.614 -0.862 2.076 142 HD11 ILE 18 HD11 ILE 18 4.761 -2.700 1.377 143 HD12 ILE 18 HD12 ILE 18 5.036 -2.442 -0.346 144 HD13 ILE 18 HD13 ILE 18 4.244 -3.918 0.211 Start of MODEL 7 1 H CYS 1 HN CYS 1 0.198 -0.091 -0.063 2 HA CYS 1 HA CYS 1 -0.549 2.698 -0.247 3 HB2 CYS 1 HB2 CYS 1 -0.848 0.814 -2.586 4 HB3 CYS 1 HB1 CYS 1 -1.801 2.285 -2.425 5 H LYS 2 HN LYS 2 -2.065 -0.261 -1.355 6 HA LYS 2 HA LYS 2 -4.398 0.278 0.330 7 HB2 LYS 2 HB2 LYS 2 -4.097 -1.846 -1.810 8 HB3 LYS 2 HB1 LYS 2 -5.581 -1.411 -0.979 9 HG2 LYS 2 HG2 LYS 2 -5.522 0.801 -2.000 10 HG3 LYS 2 HG1 LYS 2 -4.013 0.392 -2.818 11 HD2 LYS 2 HD2 LYS 2 -5.177 -1.444 -3.985 12 HD3 LYS 2 HD1 LYS 2 -6.684 -0.962 -3.206 13 HE2 LYS 2 HE2 LYS 2 -6.743 0.004 -5.356 14 HE3 LYS 2 HE1 LYS 2 -6.336 1.318 -4.256 15 HZ1 LYS 2 HZ1 LYS 2 -4.960 1.369 -6.237 16 HZ2 LYS 2 HZ2 LYS 2 -4.404 -0.198 -5.928 17 HZ3 LYS 2 HZ3 LYS 2 -4.010 1.061 -4.872 18 H ARG 3 HN ARG 3 -5.067 -0.959 1.963 19 HA ARG 3 HA ARG 3 -3.611 -3.439 2.550 20 HB2 ARG 3 HB2 ARG 3 -4.110 -1.120 4.394 21 HB3 ARG 3 HB1 ARG 3 -3.932 -2.745 5.035 22 HG2 ARG 3 HG2 ARG 3 -1.724 -2.906 3.993 23 HG3 ARG 3 HG1 ARG 3 -1.907 -1.264 3.370 24 HD2 ARG 3 HD2 ARG 3 -2.064 -0.409 5.648 25 HD3 ARG 3 HD1 ARG 3 -1.923 -2.046 6.285 26 HE ARG 3 HE ARG 3 0.295 -1.560 4.662 27 HH11 ARG 3 HH11 ARG 3 -1.003 -0.400 7.712 28 HH12 ARG 3 HH12 ARG 3 0.554 0.003 8.353 29 HH21 ARG 3 HH21 ARG 3 2.323 -1.025 5.522 30 HH22 ARG 3 HH22 ARG 3 2.435 -0.352 7.113 31 HA PRO 4 HA PRO 4 -8.087 -3.846 4.339 32 HB2 PRO 4 HB2 PRO 4 -9.720 -1.632 3.395 33 HB3 PRO 4 HB1 PRO 4 -9.347 -2.086 5.066 34 HG2 PRO 4 HG2 PRO 4 -8.451 0.196 3.930 35 HG3 PRO 4 HG1 PRO 4 -7.567 -0.670 5.206 36 HD2 PRO 4 HD2 PRO 4 -7.122 -0.723 2.242 37 HD3 PRO 4 HD1 PRO 4 -5.937 -0.585 3.555 38 HA PRO 5 HA PRO 5 -9.997 -5.663 0.709 39 HB2 PRO 5 HB2 PRO 5 -12.731 -5.018 1.666 40 HB3 PRO 5 HB1 PRO 5 -12.010 -6.595 1.293 41 HG2 PRO 5 HG2 PRO 5 -12.459 -5.888 3.798 42 HG3 PRO 5 HG1 PRO 5 -10.986 -6.774 3.349 43 HD2 PRO 5 HD2 PRO 5 -11.325 -3.858 3.930 44 HD3 PRO 5 HD1 PRO 5 -10.028 -4.964 4.426 45 H GLY 6 HN GLY 6 -10.841 -2.417 1.496 46 HA2 GLY 6 HA2 GLY 6 -10.611 -1.030 -0.665 47 HA3 GLY 6 HA1 GLY 6 -12.011 -1.963 -1.170 48 H PHE 7 HN PHE 7 -10.841 0.341 1.242 49 HA PHE 7 HA PHE 7 -13.519 1.514 1.361 50 HB2 PHE 7 HB2 PHE 7 -11.858 0.734 3.757 51 HB3 PHE 7 HB1 PHE 7 -13.214 1.852 3.849 52 HD1 PHE 7 HD1 PHE 7 -15.491 1.070 3.608 53 HD2 PHE 7 HD2 PHE 7 -12.208 -1.628 3.391 54 HE1 PHE 7 HE1 PHE 7 -17.035 -0.826 3.884 55 HE2 PHE 7 HE2 PHE 7 -13.746 -3.529 3.667 56 HZ PHE 7 HZ PHE 7 -16.163 -3.129 3.913 57 H SER 8 HN SER 8 -10.094 1.848 1.975 58 HA SER 8 HA SER 8 -10.304 4.754 1.525 59 HB2 SER 8 HB2 SER 8 -8.627 3.407 3.659 60 HB3 SER 8 HB1 SER 8 -8.588 5.126 3.268 61 HG SER 8 HG SER 8 -10.406 3.700 4.738 62 HA PRO 9 HA PRO 9 -6.884 2.393 -1.046 63 HB2 PRO 9 HB2 PRO 9 -7.784 3.305 -3.510 64 HB3 PRO 9 HB1 PRO 9 -8.149 1.709 -2.827 65 HG2 PRO 9 HG2 PRO 9 -9.805 4.190 -2.801 66 HG3 PRO 9 HG1 PRO 9 -10.293 2.509 -3.106 67 HD2 PRO 9 HD2 PRO 9 -10.765 3.614 -0.751 68 HD3 PRO 9 HD1 PRO 9 -10.201 1.932 -0.859 69 H LEU 10 HN LEU 10 -5.170 3.616 -0.615 70 HA LEU 10 HA LEU 10 -4.760 6.106 -2.068 71 HB2 LEU 10 HB2 LEU 10 -4.648 5.931 0.951 72 HB3 LEU 10 HB1 LEU 10 -3.895 7.224 0.040 73 HG LEU 10 HG LEU 10 -6.815 6.711 -0.347 74 HD11 LEU 10 HD11 LEU 10 -7.329 8.202 1.529 75 HD12 LEU 10 HD12 LEU 10 -5.624 8.209 1.983 76 HD13 LEU 10 HD13 LEU 10 -6.552 6.712 2.070 77 HD21 LEU 10 HD21 LEU 10 -6.843 9.135 -0.686 78 HD22 LEU 10 HD22 LEU 10 -5.680 8.352 -1.755 79 HD23 LEU 10 HD23 LEU 10 -5.119 9.209 -0.319 80 H CYS 11 HN CYS 11 -2.399 6.914 -1.576 81 HA CYS 11 HA CYS 11 -0.626 4.596 -1.180 82 HB2 CYS 11 HB2 CYS 11 -0.655 6.546 -3.448 83 HB3 CYS 11 HB1 CYS 11 0.872 5.844 -2.927 84 H THR 12 HN THR 12 1.415 5.018 -0.336 85 HA THR 12 HA THR 12 1.646 7.504 1.152 86 HB THR 12 HB THR 12 3.569 6.127 2.243 87 HG1 THR 12 HG1 THR 12 2.046 3.886 1.567 88 HG21 THR 12 HG21 THR 12 0.671 5.341 2.649 89 HG22 THR 12 HG22 THR 12 1.479 6.714 3.406 90 HG23 THR 12 HG23 THR 12 1.977 5.069 3.802 91 H LYS 13 HN LYS 13 3.973 5.290 -0.309 92 HA LYS 13 HA LYS 13 5.138 7.350 -1.982 93 HB2 LYS 13 HB2 LYS 13 6.622 6.161 0.352 94 HB3 LYS 13 HB1 LYS 13 7.485 6.721 -1.069 95 HG2 LYS 13 HG2 LYS 13 6.541 8.955 -0.758 96 HG3 LYS 13 HG1 LYS 13 5.684 8.387 0.677 97 HD2 LYS 13 HD2 LYS 13 7.829 7.847 1.736 98 HD3 LYS 13 HD1 LYS 13 8.679 8.427 0.304 99 HE2 LYS 13 HE2 LYS 13 7.729 10.658 0.651 100 HE3 LYS 13 HE1 LYS 13 6.889 10.075 2.086 101 HZ1 LYS 13 HZ1 LYS 13 8.926 11.225 2.668 102 HZ2 LYS 13 HZ2 LYS 13 9.834 10.160 1.720 103 HZ3 LYS 13 HZ3 LYS 13 9.031 9.593 3.096 104 H SER 14 HN SER 14 4.070 4.333 -1.602 105 HA SER 14 HA SER 14 4.033 2.475 -2.876 106 HB2 SER 14 HB2 SER 14 5.976 3.902 -4.696 107 HB3 SER 14 HB1 SER 14 5.174 2.376 -5.068 108 HG SER 14 HG SER 14 3.543 4.487 -4.293 109 H ILE 15 HN ILE 15 7.304 3.666 -2.390 110 HA ILE 15 HA ILE 15 8.098 1.160 -1.190 111 HB ILE 15 HB ILE 15 8.477 0.701 -3.595 112 HG12 ILE 15 HG12 ILE 15 11.058 0.283 -3.417 113 HG13 ILE 15 HG11 ILE 15 10.844 0.825 -1.758 114 HG21 ILE 15 HG21 ILE 15 10.411 3.009 -3.540 115 HG22 ILE 15 HG22 ILE 15 8.895 2.923 -4.437 116 HG23 ILE 15 HG23 ILE 15 10.231 1.855 -4.861 117 HD11 ILE 15 HD11 ILE 15 10.731 -1.542 -1.758 118 HD12 ILE 15 HD12 ILE 15 9.583 -1.552 -3.096 119 HD13 ILE 15 HD13 ILE 15 9.085 -0.952 -1.515 120 HA PRO 16 HA PRO 16 9.935 0.328 0.204 121 HB2 PRO 16 HB2 PRO 16 9.868 1.452 2.950 122 HB3 PRO 16 HB1 PRO 16 10.921 0.202 2.262 123 HG2 PRO 16 HG2 PRO 16 11.880 2.600 2.750 124 HG3 PRO 16 HG1 PRO 16 12.330 1.738 1.263 125 HD2 PRO 16 HD2 PRO 16 10.345 3.950 1.628 126 HD3 PRO 16 HD1 PRO 16 11.565 3.732 0.357 127 HA PRO 17 HA PRO 17 5.823 1.028 2.991 128 HB2 PRO 17 HB2 PRO 17 4.303 3.102 1.917 129 HB3 PRO 17 HB1 PRO 17 5.255 3.200 3.410 130 HG2 PRO 17 HG2 PRO 17 5.980 4.090 0.652 131 HG3 PRO 17 HG1 PRO 17 6.266 4.901 2.209 132 HD2 PRO 17 HD2 PRO 17 8.233 3.624 0.997 133 HD3 PRO 17 HD1 PRO 17 8.040 3.499 2.758 134 H ILE 18 HN ILE 18 3.322 1.431 1.982 135 HA ILE 18 HA ILE 18 3.233 -0.034 -0.577 136 HB ILE 18 HB ILE 18 1.090 -0.599 1.420 137 HG12 ILE 18 HG12 ILE 18 3.286 -2.517 1.671 138 HG13 ILE 18 HG11 ILE 18 3.692 -0.921 2.296 139 HG21 ILE 18 HG21 ILE 18 1.159 -2.828 0.388 140 HG22 ILE 18 HG22 ILE 18 2.536 -2.324 -0.593 141 HG23 ILE 18 HG23 ILE 18 0.966 -1.549 -0.811 142 HD11 ILE 18 HD11 ILE 18 2.782 -2.352 4.033 143 HD12 ILE 18 HD12 ILE 18 1.306 -2.569 3.092 144 HD13 ILE 18 HD13 ILE 18 1.722 -0.976 3.724 Start of MODEL 8 1 H CYS 1 HN CYS 1 1.648 -1.356 -0.681 2 HA CYS 1 HA CYS 1 -0.453 0.266 -1.868 3 HB2 CYS 1 HB2 CYS 1 1.283 -1.545 -3.459 4 HB3 CYS 1 HB1 CYS 1 -0.446 -1.614 -3.791 5 H LYS 2 HN LYS 2 -2.455 -0.858 -2.158 6 HA LYS 2 HA LYS 2 -4.162 -2.205 -1.538 7 HB2 LYS 2 HB2 LYS 2 -1.967 -4.270 -1.352 8 HB3 LYS 2 HB1 LYS 2 -3.656 -4.650 -1.051 9 HG2 LYS 2 HG2 LYS 2 -4.221 -3.944 -3.321 10 HG3 LYS 2 HG1 LYS 2 -2.524 -3.563 -3.622 11 HD2 LYS 2 HD2 LYS 2 -1.932 -5.907 -3.236 12 HD3 LYS 2 HD1 LYS 2 -3.629 -6.286 -2.934 13 HE2 LYS 2 HE2 LYS 2 -4.187 -5.590 -5.213 14 HE3 LYS 2 HE1 LYS 2 -2.492 -5.209 -5.514 15 HZ1 LYS 2 HZ1 LYS 2 -3.078 -7.375 -6.400 16 HZ2 LYS 2 HZ2 LYS 2 -3.572 -7.900 -4.869 17 HZ3 LYS 2 HZ3 LYS 2 -1.946 -7.537 -5.154 18 H ARG 3 HN ARG 3 -5.134 -1.583 0.229 19 HA ARG 3 HA ARG 3 -4.052 -2.409 2.836 20 HB2 ARG 3 HB2 ARG 3 -5.049 0.309 2.009 21 HB3 ARG 3 HB1 ARG 3 -5.083 -0.193 3.694 22 HG2 ARG 3 HG2 ARG 3 -2.648 -0.572 3.600 23 HG3 ARG 3 HG1 ARG 3 -2.644 0.023 1.940 24 HD2 ARG 3 HD2 ARG 3 -3.464 2.184 2.687 25 HD3 ARG 3 HD1 ARG 3 -3.560 1.595 4.346 26 HE ARG 3 HE ARG 3 -0.933 1.340 3.245 27 HH11 ARG 3 HH11 ARG 3 -3.110 3.628 4.783 28 HH12 ARG 3 HH12 ARG 3 -1.824 4.617 5.390 29 HH21 ARG 3 HH21 ARG 3 0.732 2.649 4.052 30 HH22 ARG 3 HH22 ARG 3 0.349 4.063 4.977 31 HA PRO 4 HA PRO 4 -8.094 -4.040 3.850 32 HB2 PRO 4 HB2 PRO 4 -8.122 -2.384 6.334 33 HB3 PRO 4 HB1 PRO 4 -8.315 -4.138 6.147 34 HG2 PRO 4 HG2 PRO 4 -6.072 -3.153 7.107 35 HG3 PRO 4 HG1 PRO 4 -6.046 -4.510 5.959 36 HD2 PRO 4 HD2 PRO 4 -5.455 -1.620 5.475 37 HD3 PRO 4 HD1 PRO 4 -4.638 -3.063 4.840 38 HA PRO 5 HA PRO 5 -11.338 -1.184 2.685 39 HB2 PRO 5 HB2 PRO 5 -13.137 -2.248 4.789 40 HB3 PRO 5 HB1 PRO 5 -13.351 -2.226 3.029 41 HG2 PRO 5 HG2 PRO 5 -12.830 -4.489 4.299 42 HG3 PRO 5 HG1 PRO 5 -12.115 -4.140 2.710 43 HD2 PRO 5 HD2 PRO 5 -10.859 -3.963 5.420 44 HD3 PRO 5 HD1 PRO 5 -10.188 -4.591 3.902 45 H GLY 6 HN GLY 6 -11.658 0.891 3.096 46 HA2 GLY 6 HA2 GLY 6 -12.092 1.814 5.847 47 HA3 GLY 6 HA1 GLY 6 -10.751 2.504 4.943 48 H PHE 7 HN PHE 7 -11.142 3.945 3.277 49 HA PHE 7 HA PHE 7 -13.929 4.743 2.838 50 HB2 PHE 7 HB2 PHE 7 -12.541 6.236 4.467 51 HB3 PHE 7 HB1 PHE 7 -11.767 6.817 2.998 52 HD1 PHE 7 HD1 PHE 7 -12.987 8.165 1.398 53 HD2 PHE 7 HD2 PHE 7 -14.850 6.756 4.955 54 HE1 PHE 7 HE1 PHE 7 -14.829 9.761 1.060 55 HE2 PHE 7 HE2 PHE 7 -16.696 8.350 4.624 56 HZ PHE 7 HZ PHE 7 -16.687 9.854 2.674 57 H SER 8 HN SER 8 -10.613 5.166 1.700 58 HA SER 8 HA SER 8 -11.495 4.736 -1.041 59 HB2 SER 8 HB2 SER 8 -10.245 6.718 -1.870 60 HB3 SER 8 HB1 SER 8 -11.511 7.192 -0.740 61 HG SER 8 HG SER 8 -9.459 6.826 0.769 62 HA PRO 9 HA PRO 9 -7.507 2.605 -1.155 63 HB2 PRO 9 HB2 PRO 9 -6.821 3.152 -3.902 64 HB3 PRO 9 HB1 PRO 9 -7.605 1.706 -3.245 65 HG2 PRO 9 HG2 PRO 9 -8.847 3.430 -4.936 66 HG3 PRO 9 HG1 PRO 9 -9.703 2.450 -3.726 67 HD2 PRO 9 HD2 PRO 9 -8.827 5.316 -3.554 68 HD3 PRO 9 HD1 PRO 9 -10.405 4.599 -3.145 69 H LEU 10 HN LEU 10 -5.402 2.909 -0.669 70 HA LEU 10 HA LEU 10 -4.057 5.367 -1.559 71 HB2 LEU 10 HB2 LEU 10 -4.162 4.307 1.267 72 HB3 LEU 10 HB1 LEU 10 -3.028 5.529 0.731 73 HG LEU 10 HG LEU 10 -5.949 6.025 0.337 74 HD11 LEU 10 HD11 LEU 10 -6.096 6.988 2.586 75 HD12 LEU 10 HD12 LEU 10 -4.489 6.362 2.954 76 HD13 LEU 10 HD13 LEU 10 -5.817 5.247 2.636 77 HD21 LEU 10 HD21 LEU 10 -3.605 7.799 1.027 78 HD22 LEU 10 HD22 LEU 10 -5.255 8.341 0.721 79 HD23 LEU 10 HD23 LEU 10 -4.317 7.597 -0.575 80 H CYS 11 HN CYS 11 -1.896 5.180 -1.986 81 HA CYS 11 HA CYS 11 -0.637 2.573 -1.488 82 HB2 CYS 11 HB2 CYS 11 -1.072 3.941 -4.078 83 HB3 CYS 11 HB1 CYS 11 0.522 3.236 -3.843 84 H THR 12 HN THR 12 -0.127 4.466 0.283 85 HA THR 12 HA THR 12 2.686 5.007 -0.129 86 HB THR 12 HB THR 12 1.317 7.429 0.888 87 HG1 THR 12 HG1 THR 12 1.330 6.839 -1.912 88 HG21 THR 12 HG21 THR 12 3.094 8.523 -0.436 89 HG22 THR 12 HG22 THR 12 3.564 6.958 -1.097 90 HG23 THR 12 HG23 THR 12 3.761 7.281 0.625 91 H LYS 13 HN LYS 13 3.843 5.296 1.742 92 HA LYS 13 HA LYS 13 2.432 5.300 4.296 93 HB2 LYS 13 HB2 LYS 13 3.109 2.911 3.451 94 HB3 LYS 13 HB1 LYS 13 4.726 3.399 3.934 95 HG2 LYS 13 HG2 LYS 13 4.015 3.709 6.211 96 HG3 LYS 13 HG1 LYS 13 2.332 3.415 5.767 97 HD2 LYS 13 HD2 LYS 13 2.802 1.129 5.238 98 HD3 LYS 13 HD1 LYS 13 4.539 1.391 5.416 99 HE2 LYS 13 HE2 LYS 13 4.218 1.865 7.796 100 HE3 LYS 13 HE1 LYS 13 2.483 1.608 7.613 101 HZ1 LYS 13 HZ1 LYS 13 4.587 -0.436 7.149 102 HZ2 LYS 13 HZ2 LYS 13 2.922 -0.681 6.984 103 HZ3 LYS 13 HZ3 LYS 13 3.579 -0.348 8.507 104 H SER 14 HN SER 14 5.780 4.839 3.273 105 HA SER 14 HA SER 14 6.602 7.484 4.008 106 HB2 SER 14 HB2 SER 14 7.559 5.159 5.698 107 HB3 SER 14 HB1 SER 14 8.248 6.782 5.742 108 HG SER 14 HG SER 14 5.561 6.855 6.037 109 H ILE 15 HN ILE 15 8.294 4.391 4.006 110 HA ILE 15 HA ILE 15 9.296 4.436 1.401 111 HB ILE 15 HB ILE 15 10.555 6.444 2.133 112 HG12 ILE 15 HG12 ILE 15 12.954 5.416 1.690 113 HG13 ILE 15 HG11 ILE 15 12.020 3.976 1.308 114 HG21 ILE 15 HG21 ILE 15 12.403 6.289 3.734 115 HG22 ILE 15 HG22 ILE 15 11.910 4.643 4.130 116 HG23 ILE 15 HG23 ILE 15 10.835 5.996 4.487 117 HD11 ILE 15 HD11 ILE 15 12.479 5.210 -0.702 118 HD12 ILE 15 HD12 ILE 15 11.786 6.675 -0.005 119 HD13 ILE 15 HD13 ILE 15 10.752 5.289 -0.354 120 HA PRO 16 HA PRO 16 10.338 3.028 0.024 121 HB2 PRO 16 HB2 PRO 16 9.431 0.254 -0.412 122 HB3 PRO 16 HB1 PRO 16 10.884 1.060 -1.028 123 HG2 PRO 16 HG2 PRO 16 11.040 -0.867 0.802 124 HG3 PRO 16 HG1 PRO 16 12.136 0.531 0.824 125 HD2 PRO 16 HD2 PRO 16 9.666 0.058 2.457 126 HD3 PRO 16 HD1 PRO 16 11.267 0.624 2.982 127 HA PRO 17 HA PRO 17 5.910 3.465 -0.780 128 HB2 PRO 17 HB2 PRO 17 5.764 1.892 -3.268 129 HB3 PRO 17 HB1 PRO 17 5.528 3.634 -3.026 130 HG2 PRO 17 HG2 PRO 17 7.686 2.723 -4.302 131 HG3 PRO 17 HG1 PRO 17 7.791 4.113 -3.197 132 HD2 PRO 17 HD2 PRO 17 8.485 1.240 -2.675 133 HD3 PRO 17 HD1 PRO 17 9.426 2.705 -2.313 134 H ILE 18 HN ILE 18 3.824 2.518 -0.747 135 HA ILE 18 HA ILE 18 3.728 -0.391 -0.309 136 HB ILE 18 HB ILE 18 2.509 1.753 1.460 137 HG12 ILE 18 HG12 ILE 18 4.849 1.420 1.977 138 HG13 ILE 18 HG11 ILE 18 3.883 0.724 3.264 139 HG21 ILE 18 HG21 ILE 18 1.617 -0.043 2.886 140 HG22 ILE 18 HG22 ILE 18 2.137 -1.237 1.697 141 HG23 ILE 18 HG23 ILE 18 0.899 -0.055 1.274 142 HD11 ILE 18 HD11 ILE 18 5.658 -0.773 2.904 143 HD12 ILE 18 HD12 ILE 18 5.472 -0.704 1.151 144 HD13 ILE 18 HD13 ILE 18 4.257 -1.522 2.134 Start of MODEL 9 1 H CYS 1 HN CYS 1 1.481 -1.419 -1.024 2 HA CYS 1 HA CYS 1 -0.819 0.145 -1.891 3 HB2 CYS 1 HB2 CYS 1 0.732 -1.596 -3.824 4 HB3 CYS 1 HB1 CYS 1 -0.855 -0.907 -4.148 5 H LYS 2 HN LYS 2 -2.716 -1.015 -2.087 6 HA LYS 2 HA LYS 2 -4.275 -2.567 -1.580 7 HB2 LYS 2 HB2 LYS 2 -2.051 -4.467 -2.335 8 HB3 LYS 2 HB1 LYS 2 -3.671 -5.008 -1.924 9 HG2 LYS 2 HG2 LYS 2 -4.576 -3.686 -3.780 10 HG3 LYS 2 HG1 LYS 2 -2.940 -3.169 -4.196 11 HD2 LYS 2 HD2 LYS 2 -2.309 -5.500 -4.602 12 HD3 LYS 2 HD1 LYS 2 -3.943 -6.018 -4.181 13 HE2 LYS 2 HE2 LYS 2 -4.833 -4.713 -6.052 14 HE3 LYS 2 HE1 LYS 2 -3.200 -4.199 -6.471 15 HZ1 LYS 2 HZ1 LYS 2 -2.620 -6.509 -6.889 16 HZ2 LYS 2 HZ2 LYS 2 -3.928 -6.038 -7.854 17 HZ3 LYS 2 HZ3 LYS 2 -4.188 -7.001 -6.487 18 H ARG 3 HN ARG 3 -4.595 -2.021 0.525 19 HA ARG 3 HA ARG 3 -3.612 -3.942 2.494 20 HB2 ARG 3 HB2 ARG 3 -2.414 -1.508 2.394 21 HB3 ARG 3 HB1 ARG 3 -3.732 -1.167 3.506 22 HG2 ARG 3 HG2 ARG 3 -3.008 -3.053 4.912 23 HG3 ARG 3 HG1 ARG 3 -1.646 -3.313 3.818 24 HD2 ARG 3 HD2 ARG 3 -0.826 -1.062 4.304 25 HD3 ARG 3 HD1 ARG 3 -2.193 -0.793 5.385 26 HE ARG 3 HE ARG 3 -0.607 -3.096 6.065 27 HH11 ARG 3 HH11 ARG 3 -0.932 0.371 6.527 28 HH12 ARG 3 HH12 ARG 3 -0.047 0.370 8.016 29 HH21 ARG 3 HH21 ARG 3 0.547 -3.072 8.015 30 HH22 ARG 3 HH22 ARG 3 0.788 -1.577 8.857 31 HA PRO 4 HA PRO 4 -7.701 -2.024 4.157 32 HB2 PRO 4 HB2 PRO 4 -8.829 -0.152 2.251 33 HB3 PRO 4 HB1 PRO 4 -8.282 0.164 3.906 34 HG2 PRO 4 HG2 PRO 4 -7.047 1.180 1.718 35 HG3 PRO 4 HG1 PRO 4 -6.209 0.832 3.245 36 HD2 PRO 4 HD2 PRO 4 -6.317 -0.813 0.742 37 HD3 PRO 4 HD1 PRO 4 -4.924 -0.432 1.779 38 HA PRO 5 HA PRO 5 -10.495 -4.595 1.780 39 HB2 PRO 5 HB2 PRO 5 -12.902 -3.483 2.975 40 HB3 PRO 5 HB1 PRO 5 -12.135 -5.048 3.288 41 HG2 PRO 5 HG2 PRO 5 -12.210 -3.067 5.119 42 HG3 PRO 5 HG1 PRO 5 -10.893 -4.253 5.025 43 HD2 PRO 5 HD2 PRO 5 -10.966 -1.436 4.011 44 HD3 PRO 5 HD1 PRO 5 -9.669 -2.295 4.870 45 H GLY 6 HN GLY 6 -11.323 -1.200 1.881 46 HA2 GLY 6 HA2 GLY 6 -11.514 -0.533 -0.681 47 HA3 GLY 6 HA1 GLY 6 -13.031 -1.396 -0.479 48 H PHE 7 HN PHE 7 -11.319 0.830 1.703 49 HA PHE 7 HA PHE 7 -13.518 2.755 1.453 50 HB2 PHE 7 HB2 PHE 7 -12.424 1.641 4.037 51 HB3 PHE 7 HB1 PHE 7 -13.393 3.108 3.955 52 HD1 PHE 7 HD1 PHE 7 -15.761 3.010 3.464 53 HD2 PHE 7 HD2 PHE 7 -13.412 -0.534 3.666 54 HE1 PHE 7 HE1 PHE 7 -17.814 1.660 3.587 55 HE2 PHE 7 HE2 PHE 7 -15.462 -1.890 3.789 56 HZ PHE 7 HZ PHE 7 -17.666 -0.793 3.749 57 H SER 8 HN SER 8 -10.214 2.067 2.238 58 HA SER 8 HA SER 8 -9.511 4.911 1.891 59 HB2 SER 8 HB2 SER 8 -8.376 3.034 3.981 60 HB3 SER 8 HB1 SER 8 -7.805 4.671 3.664 61 HG SER 8 HG SER 8 -9.939 5.393 4.206 62 HA PRO 9 HA PRO 9 -6.799 1.689 -0.546 63 HB2 PRO 9 HB2 PRO 9 -8.031 2.755 -3.011 64 HB3 PRO 9 HB1 PRO 9 -7.760 1.071 -2.525 65 HG2 PRO 9 HG2 PRO 9 -10.206 2.085 -2.585 66 HG3 PRO 9 HG1 PRO 9 -9.707 0.960 -1.302 67 HD2 PRO 9 HD2 PRO 9 -9.918 3.946 -1.207 68 HD3 PRO 9 HD1 PRO 9 -10.488 2.740 -0.031 69 H LEU 10 HN LEU 10 -4.847 2.477 -0.625 70 HA LEU 10 HA LEU 10 -4.262 4.893 -2.182 71 HB2 LEU 10 HB2 LEU 10 -3.312 4.339 0.637 72 HB3 LEU 10 HB1 LEU 10 -2.612 5.566 -0.400 73 HG LEU 10 HG LEU 10 -5.549 5.666 0.142 74 HD11 LEU 10 HD11 LEU 10 -4.583 5.320 2.345 75 HD12 LEU 10 HD12 LEU 10 -5.137 6.985 2.167 76 HD13 LEU 10 HD13 LEU 10 -3.417 6.613 2.055 77 HD21 LEU 10 HD21 LEU 10 -5.148 8.074 -0.030 78 HD22 LEU 10 HD22 LEU 10 -4.557 7.223 -1.457 79 HD23 LEU 10 HD23 LEU 10 -3.421 7.775 -0.226 80 H CYS 11 HN CYS 11 -1.831 5.069 -2.605 81 HA CYS 11 HA CYS 11 -0.592 2.405 -2.693 82 HB2 CYS 11 HB2 CYS 11 -1.527 3.868 -4.932 83 HB3 CYS 11 HB1 CYS 11 0.233 3.896 -4.994 84 H THR 12 HN THR 12 -0.153 4.691 -0.886 85 HA THR 12 HA THR 12 2.726 4.670 -0.982 86 HB THR 12 HB THR 12 1.660 7.460 -0.758 87 HG1 THR 12 HG1 THR 12 2.171 6.127 -3.243 88 HG21 THR 12 HG21 THR 12 3.883 7.975 -1.719 89 HG22 THR 12 HG22 THR 12 4.206 6.251 -1.898 90 HG23 THR 12 HG23 THR 12 4.031 6.952 -0.291 91 H LYS 13 HN LYS 13 3.714 5.341 0.944 92 HA LYS 13 HA LYS 13 1.968 5.932 3.219 93 HB2 LYS 13 HB2 LYS 13 2.715 3.420 2.935 94 HB3 LYS 13 HB1 LYS 13 4.237 4.009 3.583 95 HG2 LYS 13 HG2 LYS 13 3.075 4.808 5.584 96 HG3 LYS 13 HG1 LYS 13 1.547 4.215 4.930 97 HD2 LYS 13 HD2 LYS 13 2.419 1.935 4.937 98 HD3 LYS 13 HD1 LYS 13 3.966 2.519 5.551 99 HE2 LYS 13 HE2 LYS 13 2.800 1.676 7.423 100 HE3 LYS 13 HE1 LYS 13 2.692 3.431 7.534 101 HZ1 LYS 13 HZ1 LYS 13 0.568 1.628 6.496 102 HZ2 LYS 13 HZ2 LYS 13 0.463 3.313 6.601 103 HZ3 LYS 13 HZ3 LYS 13 0.570 2.385 8.010 104 H SER 14 HN SER 14 5.383 5.354 2.526 105 HA SER 14 HA SER 14 6.154 8.067 3.030 106 HB2 SER 14 HB2 SER 14 7.061 5.929 4.974 107 HB3 SER 14 HB1 SER 14 7.725 7.560 4.892 108 HG SER 14 HG SER 14 5.093 6.779 5.595 109 H ILE 15 HN ILE 15 7.871 5.012 3.412 110 HA ILE 15 HA ILE 15 8.952 4.770 0.860 111 HB ILE 15 HB ILE 15 10.156 6.876 1.358 112 HG12 ILE 15 HG12 ILE 15 12.586 5.839 1.113 113 HG13 ILE 15 HG11 ILE 15 11.677 4.350 0.886 114 HG21 ILE 15 HG21 ILE 15 10.383 6.738 3.758 115 HG22 ILE 15 HG22 ILE 15 11.964 6.966 3.012 116 HG23 ILE 15 HG23 ILE 15 11.490 5.374 3.603 117 HD11 ILE 15 HD11 ILE 15 10.460 5.389 -0.968 118 HD12 ILE 15 HD12 ILE 15 12.202 5.371 -1.242 119 HD13 ILE 15 HD13 ILE 15 11.403 6.864 -0.747 120 HA PRO 16 HA PRO 16 9.929 3.203 -0.317 121 HB2 PRO 16 HB2 PRO 16 9.048 0.391 -0.392 122 HB3 PRO 16 HB1 PRO 16 10.489 1.124 -1.115 123 HG2 PRO 16 HG2 PRO 16 10.668 -0.562 0.942 124 HG3 PRO 16 HG1 PRO 16 11.763 0.825 0.768 125 HD2 PRO 16 HD2 PRO 16 9.321 0.567 2.489 126 HD3 PRO 16 HD1 PRO 16 10.929 1.200 2.908 127 HA PRO 17 HA PRO 17 5.472 3.480 -1.013 128 HB2 PRO 17 HB2 PRO 17 5.281 1.791 -3.406 129 HB3 PRO 17 HB1 PRO 17 5.101 3.549 -3.261 130 HG2 PRO 17 HG2 PRO 17 7.213 2.474 -4.513 131 HG3 PRO 17 HG1 PRO 17 7.363 3.954 -3.537 132 HD2 PRO 17 HD2 PRO 17 8.015 1.125 -2.774 133 HD3 PRO 17 HD1 PRO 17 8.988 2.597 -2.559 134 H ILE 18 HN ILE 18 3.409 2.501 -0.898 135 HA ILE 18 HA ILE 18 3.342 -0.392 -0.357 136 HB ILE 18 HB ILE 18 2.227 1.807 1.398 137 HG12 ILE 18 HG12 ILE 18 4.560 1.374 1.874 138 HG13 ILE 18 HG11 ILE 18 3.590 0.743 3.193 139 HG21 ILE 18 HG21 ILE 18 1.719 -1.162 1.667 140 HG22 ILE 18 HG22 ILE 18 0.532 0.076 1.262 141 HG23 ILE 18 HG23 ILE 18 1.277 0.061 2.860 142 HD11 ILE 18 HD11 ILE 18 5.084 -0.781 1.079 143 HD12 ILE 18 HD12 ILE 18 3.834 -1.536 2.068 144 HD13 ILE 18 HD13 ILE 18 5.270 -0.851 2.831 Start of MODEL 10 1 H CYS 1 HN CYS 1 0.807 -0.375 -2.091 2 HA CYS 1 HA CYS 1 -1.115 1.708 -1.457 3 HB2 CYS 1 HB2 CYS 1 -0.151 1.172 -4.257 4 HB3 CYS 1 HB1 CYS 1 -1.768 1.802 -3.958 5 H LYS 2 HN LYS 2 -3.210 1.048 -1.501 6 HA LYS 2 HA LYS 2 -4.992 -0.333 -1.368 7 HB2 LYS 2 HB2 LYS 2 -3.591 -1.681 -3.678 8 HB3 LYS 2 HB1 LYS 2 -5.148 -2.227 -3.072 9 HG2 LYS 2 HG2 LYS 2 -6.119 -0.049 -3.573 10 HG3 LYS 2 HG1 LYS 2 -4.555 0.517 -4.162 11 HD2 LYS 2 HD2 LYS 2 -4.591 -1.197 -5.907 12 HD3 LYS 2 HD1 LYS 2 -6.150 -1.773 -5.313 13 HE2 LYS 2 HE2 LYS 2 -7.146 0.403 -5.816 14 HE3 LYS 2 HE1 LYS 2 -5.588 0.984 -6.401 15 HZ1 LYS 2 HZ1 LYS 2 -7.013 0.298 -8.224 16 HZ2 LYS 2 HZ2 LYS 2 -7.149 -1.257 -7.572 17 HZ3 LYS 2 HZ3 LYS 2 -5.652 -0.704 -8.132 18 H ARG 3 HN ARG 3 -4.444 -0.933 0.738 19 HA ARG 3 HA ARG 3 -3.722 -3.759 0.997 20 HB2 ARG 3 HB2 ARG 3 -2.176 -1.547 1.993 21 HB3 ARG 3 HB1 ARG 3 -2.763 -2.518 3.338 22 HG2 ARG 3 HG2 ARG 3 -1.847 -4.532 2.147 23 HG3 ARG 3 HG1 ARG 3 -1.082 -3.416 1.014 24 HD2 ARG 3 HD2 ARG 3 0.595 -3.840 2.574 25 HD3 ARG 3 HD1 ARG 3 -0.086 -2.305 3.109 26 HE ARG 3 HE ARG 3 -1.473 -4.250 4.478 27 HH11 ARG 3 HH11 ARG 3 1.897 -3.280 4.253 28 HH12 ARG 3 HH12 ARG 3 2.273 -3.803 5.862 29 HH21 ARG 3 HH21 ARG 3 -0.955 -4.929 6.580 30 HH22 ARG 3 HH22 ARG 3 0.659 -4.735 7.176 31 HA PRO 4 HA PRO 4 -6.630 -2.722 4.658 32 HB2 PRO 4 HB2 PRO 4 -7.398 0.047 4.760 33 HB3 PRO 4 HB1 PRO 4 -6.393 -0.844 5.913 34 HG2 PRO 4 HG2 PRO 4 -5.473 1.189 4.333 35 HG3 PRO 4 HG1 PRO 4 -4.455 -0.099 5.009 36 HD2 PRO 4 HD2 PRO 4 -5.603 0.146 2.256 37 HD3 PRO 4 HD1 PRO 4 -3.988 -0.394 2.762 38 HA PRO 5 HA PRO 5 -10.121 -2.797 1.678 39 HB2 PRO 5 HB2 PRO 5 -11.462 -4.431 3.729 40 HB3 PRO 5 HB1 PRO 5 -11.052 -4.848 2.056 41 HG2 PRO 5 HG2 PRO 5 -9.790 -5.961 4.130 42 HG3 PRO 5 HG1 PRO 5 -8.961 -5.600 2.601 43 HD2 PRO 5 HD2 PRO 5 -8.895 -4.086 5.181 44 HD3 PRO 5 HD1 PRO 5 -7.574 -4.466 4.055 45 H GLY 6 HN GLY 6 -11.583 -1.232 1.522 46 HA2 GLY 6 HA2 GLY 6 -13.377 -0.606 3.707 47 HA3 GLY 6 HA1 GLY 6 -12.254 0.681 3.298 48 H PHE 7 HN PHE 7 -12.695 1.990 1.624 49 HA PHE 7 HA PHE 7 -14.812 1.235 -0.258 50 HB2 PHE 7 HB2 PHE 7 -14.699 3.794 1.335 51 HB3 PHE 7 HB1 PHE 7 -15.693 3.603 -0.105 52 HD1 PHE 7 HD1 PHE 7 -17.669 2.208 -0.075 53 HD2 PHE 7 HD2 PHE 7 -15.257 2.668 3.400 54 HE1 PHE 7 HE1 PHE 7 -19.476 1.260 1.299 55 HE2 PHE 7 HE2 PHE 7 -17.059 1.720 4.781 56 HZ PHE 7 HZ PHE 7 -19.173 1.016 3.731 57 H SER 8 HN SER 8 -12.105 3.316 0.492 58 HA SER 8 HA SER 8 -11.686 3.726 -2.386 59 HB2 SER 8 HB2 SER 8 -10.762 5.968 -1.870 60 HB3 SER 8 HB1 SER 8 -12.421 5.818 -1.290 61 HG SER 8 HG SER 8 -11.031 6.768 0.269 62 HA PRO 9 HA PRO 9 -7.541 2.151 -1.535 63 HB2 PRO 9 HB2 PRO 9 -6.064 3.871 -3.322 64 HB3 PRO 9 HB1 PRO 9 -6.646 2.226 -3.626 65 HG2 PRO 9 HG2 PRO 9 -7.585 4.396 -4.955 66 HG3 PRO 9 HG1 PRO 9 -8.552 2.938 -4.655 67 HD2 PRO 9 HD2 PRO 9 -8.514 5.520 -3.127 68 HD3 PRO 9 HD1 PRO 9 -9.912 4.586 -3.715 69 H LEU 10 HN LEU 10 -5.625 2.393 -0.405 70 HA LEU 10 HA LEU 10 -4.916 5.087 0.536 71 HB2 LEU 10 HB2 LEU 10 -5.257 2.615 2.238 72 HB3 LEU 10 HB1 LEU 10 -4.455 4.071 2.791 73 HG LEU 10 HG LEU 10 -6.757 5.190 2.092 74 HD11 LEU 10 HD11 LEU 10 -7.546 2.356 2.756 75 HD12 LEU 10 HD12 LEU 10 -7.748 3.152 1.195 76 HD13 LEU 10 HD13 LEU 10 -8.646 3.725 2.601 77 HD21 LEU 10 HD21 LEU 10 -7.501 4.917 4.413 78 HD22 LEU 10 HD22 LEU 10 -5.775 5.269 4.311 79 HD23 LEU 10 HD23 LEU 10 -6.322 3.624 4.631 80 H CYS 11 HN CYS 11 -2.753 5.468 0.850 81 HA CYS 11 HA CYS 11 -0.896 3.247 0.320 82 HB2 CYS 11 HB2 CYS 11 -0.653 6.043 -0.813 83 HB3 CYS 11 HB1 CYS 11 0.493 4.730 -1.050 84 H THR 12 HN THR 12 0.667 3.044 1.764 85 HA THR 12 HA THR 12 1.000 5.062 3.833 86 HB THR 12 HB THR 12 2.639 3.078 4.629 87 HG1 THR 12 HG1 THR 12 0.562 1.586 3.431 88 HG21 THR 12 HG21 THR 12 -0.376 3.064 4.901 89 HG22 THR 12 HG22 THR 12 0.747 3.973 5.909 90 HG23 THR 12 HG23 THR 12 0.752 2.210 5.955 91 H LYS 13 HN LYS 13 3.391 5.262 4.676 92 HA LYS 13 HA LYS 13 5.073 5.834 2.331 93 HB2 LYS 13 HB2 LYS 13 4.815 7.248 4.967 94 HB3 LYS 13 HB1 LYS 13 6.197 7.507 3.911 95 HG2 LYS 13 HG2 LYS 13 4.694 8.260 2.132 96 HG3 LYS 13 HG1 LYS 13 3.311 8.008 3.198 97 HD2 LYS 13 HD2 LYS 13 4.217 9.667 4.756 98 HD3 LYS 13 HD1 LYS 13 5.599 9.917 3.687 99 HE2 LYS 13 HE2 LYS 13 4.086 10.682 1.921 100 HE3 LYS 13 HE1 LYS 13 2.708 10.433 2.992 101 HZ1 LYS 13 HZ1 LYS 13 3.619 12.099 4.488 102 HZ2 LYS 13 HZ2 LYS 13 3.383 12.749 2.944 103 HZ3 LYS 13 HZ3 LYS 13 4.940 12.337 3.457 104 H SER 14 HN SER 14 5.020 4.155 5.363 105 HA SER 14 HA SER 14 7.855 3.442 4.974 106 HB2 SER 14 HB2 SER 14 6.351 3.658 7.594 107 HB3 SER 14 HB1 SER 14 8.018 3.110 7.424 108 HG SER 14 HG SER 14 7.845 5.409 6.157 109 H ILE 15 HN ILE 15 7.440 1.645 3.716 110 HA ILE 15 HA ILE 15 6.559 -0.707 5.196 111 HB ILE 15 HB ILE 15 5.572 -0.609 2.380 112 HG12 ILE 15 HG12 ILE 15 3.288 0.123 3.467 113 HG13 ILE 15 HG11 ILE 15 4.325 0.911 4.649 114 HG21 ILE 15 HG21 ILE 15 5.448 -2.679 3.627 115 HG22 ILE 15 HG22 ILE 15 3.826 -2.071 3.296 116 HG23 ILE 15 HG23 ILE 15 4.527 -1.883 4.904 117 HD11 ILE 15 HD11 ILE 15 5.224 2.364 3.058 118 HD12 ILE 15 HD12 ILE 15 3.503 2.295 2.676 119 HD13 ILE 15 HD13 ILE 15 4.659 1.382 1.709 120 HA PRO 16 HA PRO 16 8.482 1.670 2.935 121 HB2 PRO 16 HB2 PRO 16 9.607 1.364 0.241 122 HB3 PRO 16 HB1 PRO 16 10.350 2.089 1.677 123 HG2 PRO 16 HG2 PRO 16 11.223 -0.218 0.626 124 HG3 PRO 16 HG1 PRO 16 11.282 0.126 2.366 125 HD2 PRO 16 HD2 PRO 16 9.270 -1.488 0.841 126 HD3 PRO 16 HD1 PRO 16 10.099 -1.876 2.365 127 HA PRO 17 HA PRO 17 5.168 3.532 0.322 128 HB2 PRO 17 HB2 PRO 17 6.824 2.973 -2.121 129 HB3 PRO 17 HB1 PRO 17 5.758 4.350 -1.778 130 HG2 PRO 17 HG2 PRO 17 8.497 4.339 -1.340 131 HG3 PRO 17 HG1 PRO 17 7.345 5.446 -0.573 132 HD2 PRO 17 HD2 PRO 17 8.918 3.513 0.729 133 HD3 PRO 17 HD1 PRO 17 7.571 4.429 1.427 134 H ILE 18 HN ILE 18 3.389 2.419 0.169 135 HA ILE 18 HA ILE 18 3.169 0.216 -1.735 136 HB ILE 18 HB ILE 18 3.501 -0.436 0.872 137 HG12 ILE 18 HG12 ILE 18 1.973 -2.506 0.227 138 HG13 ILE 18 HG11 ILE 18 2.012 -1.746 -1.358 139 HG21 ILE 18 HG21 ILE 18 1.482 0.726 1.633 140 HG22 ILE 18 HG22 ILE 18 1.407 -1.009 1.935 141 HG23 ILE 18 HG23 ILE 18 0.505 -0.309 0.592 142 HD11 ILE 18 HD11 ILE 18 4.394 -2.646 0.249 143 HD12 ILE 18 HD12 ILE 18 4.467 -1.834 -1.315 144 HD13 ILE 18 HD13 ILE 18 3.731 -3.431 -1.185 Start of MODEL 11 1 H CYS 1 HN CYS 1 1.069 0.293 1.095 2 HA CYS 1 HA CYS 1 0.275 3.070 0.923 3 HB2 CYS 1 HB2 CYS 1 -1.519 0.892 -0.192 4 HB3 CYS 1 HB1 CYS 1 -1.955 2.587 -0.021 5 H LYS 2 HN LYS 2 -2.118 0.633 1.464 6 HA LYS 2 HA LYS 2 -1.708 0.545 4.340 7 HB2 LYS 2 HB2 LYS 2 -4.166 1.714 3.042 8 HB3 LYS 2 HB1 LYS 2 -4.200 1.058 4.672 9 HG2 LYS 2 HG2 LYS 2 -2.468 2.676 5.334 10 HG3 LYS 2 HG1 LYS 2 -2.506 3.355 3.706 11 HD2 LYS 2 HD2 LYS 2 -4.880 3.913 4.010 12 HD3 LYS 2 HD1 LYS 2 -4.816 3.258 5.648 13 HE2 LYS 2 HE2 LYS 2 -3.130 4.927 6.247 14 HE3 LYS 2 HE1 LYS 2 -3.193 5.580 4.610 15 HZ1 LYS 2 HZ1 LYS 2 -5.514 6.155 4.967 16 HZ2 LYS 2 HZ2 LYS 2 -4.531 6.888 6.133 17 HZ3 LYS 2 HZ3 LYS 2 -5.451 5.529 6.539 18 H ARG 3 HN ARG 3 -3.698 -0.372 1.609 19 HA ARG 3 HA ARG 3 -3.622 -3.172 2.364 20 HB2 ARG 3 HB2 ARG 3 -6.163 -1.549 2.278 21 HB3 ARG 3 HB1 ARG 3 -6.192 -3.268 1.924 22 HG2 ARG 3 HG2 ARG 3 -5.270 -3.746 4.134 23 HG3 ARG 3 HG1 ARG 3 -5.224 -2.017 4.486 24 HD2 ARG 3 HD2 ARG 3 -7.660 -1.909 4.222 25 HD3 ARG 3 HD1 ARG 3 -7.696 -3.639 3.889 26 HE ARG 3 HE ARG 3 -6.430 -3.313 6.336 27 HH11 ARG 3 HH11 ARG 3 -9.627 -2.708 5.013 28 HH12 ARG 3 HH12 ARG 3 -10.424 -2.921 6.538 29 HH21 ARG 3 HH21 ARG 3 -7.494 -3.590 8.319 30 HH22 ARG 3 HH22 ARG 3 -9.216 -3.420 8.406 31 HA PRO 4 HA PRO 4 -3.431 -3.978 -2.045 32 HB2 PRO 4 HB2 PRO 4 -5.853 -5.717 -1.784 33 HB3 PRO 4 HB1 PRO 4 -4.281 -6.082 -2.519 34 HG2 PRO 4 HG2 PRO 4 -4.879 -7.084 -0.170 35 HG3 PRO 4 HG1 PRO 4 -3.252 -6.442 -0.483 36 HD2 PRO 4 HD2 PRO 4 -5.492 -5.225 1.066 37 HD3 PRO 4 HD1 PRO 4 -3.749 -5.201 1.393 38 HA PRO 5 HA PRO 5 -6.163 -1.246 -4.276 39 HB2 PRO 5 HB2 PRO 5 -6.631 -2.701 -6.613 40 HB3 PRO 5 HB1 PRO 5 -5.235 -1.648 -6.320 41 HG2 PRO 5 HG2 PRO 5 -5.450 -4.605 -6.071 42 HG3 PRO 5 HG1 PRO 5 -4.111 -3.613 -6.687 43 HD2 PRO 5 HD2 PRO 5 -3.995 -4.686 -4.256 44 HD3 PRO 5 HD1 PRO 5 -3.369 -3.054 -4.560 45 H GLY 6 HN GLY 6 -8.231 -0.812 -3.992 46 HA2 GLY 6 HA2 GLY 6 -10.233 -2.949 -4.315 47 HA3 GLY 6 HA1 GLY 6 -10.230 -1.960 -2.863 48 H PHE 7 HN PHE 7 -11.185 0.013 -2.885 49 HA PHE 7 HA PHE 7 -12.101 1.095 -5.452 50 HB2 PHE 7 HB2 PHE 7 -13.814 0.623 -3.015 51 HB3 PHE 7 HB1 PHE 7 -14.294 1.679 -4.338 52 HD1 PHE 7 HD1 PHE 7 -14.915 0.771 -6.494 53 HD2 PHE 7 HD2 PHE 7 -13.762 -1.778 -3.288 54 HE1 PHE 7 HE1 PHE 7 -15.845 -1.161 -7.701 55 HE2 PHE 7 HE2 PHE 7 -14.690 -3.714 -4.489 56 HZ PHE 7 HZ PHE 7 -15.732 -3.408 -6.699 57 H SER 8 HN SER 8 -11.411 1.661 -2.071 58 HA SER 8 HA SER 8 -10.903 4.500 -2.670 59 HB2 SER 8 HB2 SER 8 -13.106 4.223 -1.530 60 HB3 SER 8 HB1 SER 8 -12.266 3.513 -0.153 61 HG SER 8 HG SER 8 -11.024 5.754 -0.649 62 HA PRO 9 HA PRO 9 -7.543 2.471 0.115 63 HB2 PRO 9 HB2 PRO 9 -5.769 1.900 -2.108 64 HB3 PRO 9 HB1 PRO 9 -6.462 0.767 -0.935 65 HG2 PRO 9 HG2 PRO 9 -7.124 0.758 -3.557 66 HG3 PRO 9 HG1 PRO 9 -8.233 0.246 -2.269 67 HD2 PRO 9 HD2 PRO 9 -8.106 2.868 -3.710 68 HD3 PRO 9 HD1 PRO 9 -9.524 1.878 -3.293 69 H LEU 10 HN LEU 10 -6.007 3.757 0.953 70 HA LEU 10 HA LEU 10 -5.161 6.109 -0.592 71 HB2 LEU 10 HB2 LEU 10 -5.175 5.561 2.379 72 HB3 LEU 10 HB1 LEU 10 -4.463 6.993 1.662 73 HG LEU 10 HG LEU 10 -6.891 7.260 0.625 74 HD11 LEU 10 HD11 LEU 10 -7.765 5.170 1.524 75 HD12 LEU 10 HD12 LEU 10 -8.616 6.555 2.206 76 HD13 LEU 10 HD13 LEU 10 -7.399 5.710 3.162 77 HD21 LEU 10 HD21 LEU 10 -6.165 7.949 3.469 78 HD22 LEU 10 HD22 LEU 10 -7.459 8.694 2.531 79 HD23 LEU 10 HD23 LEU 10 -5.779 8.896 2.032 80 H CYS 11 HN CYS 11 -2.971 6.725 -0.695 81 HA CYS 11 HA CYS 11 -1.031 4.673 0.120 82 HB2 CYS 11 HB2 CYS 11 -1.183 6.065 -2.556 83 HB3 CYS 11 HB1 CYS 11 0.195 5.106 -2.024 84 H THR 12 HN THR 12 1.191 5.403 0.306 85 HA THR 12 HA THR 12 1.363 8.003 1.518 86 HB THR 12 HB THR 12 3.740 7.237 1.983 87 HG1 THR 12 HG1 THR 12 2.920 4.622 1.450 88 HG21 THR 12 HG21 THR 12 1.969 7.048 3.678 89 HG22 THR 12 HG22 THR 12 3.055 5.660 3.756 90 HG23 THR 12 HG23 THR 12 1.473 5.500 2.991 91 H LYS 13 HN LYS 13 3.119 6.280 -1.016 92 HA LYS 13 HA LYS 13 3.583 8.787 -2.452 93 HB2 LYS 13 HB2 LYS 13 5.758 6.886 -1.574 94 HB3 LYS 13 HB1 LYS 13 5.978 8.025 -2.894 95 HG2 LYS 13 HG2 LYS 13 5.557 9.883 -1.372 96 HG3 LYS 13 HG1 LYS 13 5.315 8.747 -0.045 97 HD2 LYS 13 HD2 LYS 13 7.618 7.952 -0.313 98 HD3 LYS 13 HD1 LYS 13 7.856 9.096 -1.635 99 HE2 LYS 13 HE2 LYS 13 7.440 10.955 -0.099 100 HE3 LYS 13 HE1 LYS 13 7.195 9.811 1.221 101 HZ1 LYS 13 HZ1 LYS 13 9.481 9.074 0.958 102 HZ2 LYS 13 HZ2 LYS 13 9.425 10.739 1.253 103 HZ3 LYS 13 HZ3 LYS 13 9.715 10.167 -0.312 104 H SER 14 HN SER 14 2.751 5.549 -2.442 105 HA SER 14 HA SER 14 2.022 4.104 -4.012 106 HB2 SER 14 HB2 SER 14 2.603 6.277 -6.028 107 HB3 SER 14 HB1 SER 14 1.746 4.776 -6.376 108 HG SER 14 HG SER 14 0.024 5.738 -5.689 109 H ILE 15 HN ILE 15 5.001 5.721 -4.953 110 HA ILE 15 HA ILE 15 6.232 3.117 -5.371 111 HB ILE 15 HB ILE 15 5.435 3.833 -7.607 112 HG12 ILE 15 HG12 ILE 15 7.858 3.861 -8.701 113 HG13 ILE 15 HG11 ILE 15 8.342 3.441 -7.062 114 HG21 ILE 15 HG21 ILE 15 6.497 5.696 -8.795 115 HG22 ILE 15 HG22 ILE 15 7.319 6.164 -7.307 116 HG23 ILE 15 HG23 ILE 15 5.560 6.235 -7.401 117 HD11 ILE 15 HD11 ILE 15 8.076 1.434 -8.326 118 HD12 ILE 15 HD12 ILE 15 6.465 1.919 -8.854 119 HD13 ILE 15 HD13 ILE 15 6.757 1.526 -7.160 120 HA PRO 16 HA PRO 16 7.889 2.131 -5.237 121 HB2 PRO 16 HB2 PRO 16 10.233 1.353 -4.027 122 HB3 PRO 16 HB1 PRO 16 10.107 1.958 -5.686 123 HG2 PRO 16 HG2 PRO 16 11.409 3.194 -3.461 124 HG3 PRO 16 HG1 PRO 16 11.283 3.782 -5.128 125 HD2 PRO 16 HD2 PRO 16 9.680 4.518 -2.755 126 HD3 PRO 16 HD1 PRO 16 10.008 5.447 -4.233 127 HA PRO 17 HA PRO 17 7.556 1.139 -0.505 128 HB2 PRO 17 HB2 PRO 17 5.594 3.036 0.455 129 HB3 PRO 17 HB1 PRO 17 7.277 2.852 0.974 130 HG2 PRO 17 HG2 PRO 17 6.353 5.057 -0.346 131 HG3 PRO 17 HG1 PRO 17 8.037 4.496 -0.432 132 HD2 PRO 17 HD2 PRO 17 5.794 4.008 -2.367 133 HD3 PRO 17 HD1 PRO 17 7.466 4.514 -2.691 134 H ILE 18 HN ILE 18 4.681 1.794 0.592 135 HA ILE 18 HA ILE 18 3.150 0.062 -1.231 136 HB ILE 18 HB ILE 18 2.616 -0.182 1.703 137 HG12 ILE 18 HG12 ILE 18 4.278 -2.288 1.446 138 HG13 ILE 18 HG11 ILE 18 5.112 -1.133 0.408 139 HG21 ILE 18 HG21 ILE 18 1.156 -1.306 0.126 140 HG22 ILE 18 HG22 ILE 18 2.040 -2.492 1.087 141 HG23 ILE 18 HG23 ILE 18 2.530 -2.162 -0.575 142 HD11 ILE 18 HD11 ILE 18 5.185 0.464 2.248 143 HD12 ILE 18 HD12 ILE 18 5.964 -1.058 2.678 144 HD13 ILE 18 HD13 ILE 18 4.349 -0.691 3.283 Start of MODEL 12 1 H CYS 1 HN CYS 1 1.320 -0.126 -1.629 2 HA CYS 1 HA CYS 1 -0.026 2.413 -1.208 3 HB2 CYS 1 HB2 CYS 1 1.855 3.115 -2.575 4 HB3 CYS 1 HB1 CYS 1 1.562 1.812 -3.716 5 H LYS 2 HN LYS 2 -2.104 2.298 -1.748 6 HA LYS 2 HA LYS 2 -4.116 1.592 -2.495 7 HB2 LYS 2 HB2 LYS 2 -2.459 0.268 -4.645 8 HB3 LYS 2 HB1 LYS 2 -4.213 0.176 -4.606 9 HG2 LYS 2 HG2 LYS 2 -4.346 2.613 -4.756 10 HG3 LYS 2 HG1 LYS 2 -2.583 2.703 -4.794 11 HD2 LYS 2 HD2 LYS 2 -2.566 1.397 -6.866 12 HD3 LYS 2 HD1 LYS 2 -4.327 1.309 -6.826 13 HE2 LYS 2 HE2 LYS 2 -4.449 3.748 -6.989 14 HE3 LYS 2 HE1 LYS 2 -2.687 3.834 -7.030 15 HZ1 LYS 2 HZ1 LYS 2 -3.634 3.981 -9.247 16 HZ2 LYS 2 HZ2 LYS 2 -4.400 2.486 -9.050 17 HZ3 LYS 2 HZ3 LYS 2 -2.711 2.571 -9.091 18 H ARG 3 HN ARG 3 -5.246 0.340 -1.245 19 HA ARG 3 HA ARG 3 -4.576 -2.517 -1.049 20 HB2 ARG 3 HB2 ARG 3 -4.272 -0.689 1.020 21 HB3 ARG 3 HB1 ARG 3 -5.823 -1.443 1.360 22 HG2 ARG 3 HG2 ARG 3 -4.759 -3.651 1.268 23 HG3 ARG 3 HG1 ARG 3 -3.205 -2.877 0.958 24 HD2 ARG 3 HD2 ARG 3 -3.227 -3.349 3.266 25 HD3 ARG 3 HD1 ARG 3 -3.551 -1.622 3.131 26 HE ARG 3 HE ARG 3 -5.983 -3.060 3.211 27 HH11 ARG 3 HH11 ARG 3 -3.364 -2.069 5.332 28 HH12 ARG 3 HH12 ARG 3 -4.357 -2.076 6.751 29 HH21 ARG 3 HH21 ARG 3 -7.263 -3.063 5.082 30 HH22 ARG 3 HH22 ARG 3 -6.562 -2.638 6.608 31 HA PRO 4 HA PRO 4 -8.842 -2.529 -2.712 32 HB2 PRO 4 HB2 PRO 4 -8.447 -5.454 -2.298 33 HB3 PRO 4 HB1 PRO 4 -9.034 -4.579 -3.722 34 HG2 PRO 4 HG2 PRO 4 -6.580 -5.587 -3.651 35 HG3 PRO 4 HG1 PRO 4 -6.933 -4.043 -4.450 36 HD2 PRO 4 HD2 PRO 4 -5.571 -4.552 -1.856 37 HD3 PRO 4 HD1 PRO 4 -5.314 -3.258 -3.040 38 HA PRO 5 HA PRO 5 -10.798 -4.712 1.077 39 HB2 PRO 5 HB2 PRO 5 -8.852 -5.525 3.046 40 HB3 PRO 5 HB1 PRO 5 -9.915 -6.554 2.072 41 HG2 PRO 5 HG2 PRO 5 -7.200 -6.503 1.815 42 HG3 PRO 5 HG1 PRO 5 -8.317 -6.970 0.518 43 HD2 PRO 5 HD2 PRO 5 -6.935 -4.351 0.963 44 HD3 PRO 5 HD1 PRO 5 -7.195 -5.249 -0.545 45 H GLY 6 HN GLY 6 -11.642 -2.829 1.779 46 HA2 GLY 6 HA2 GLY 6 -11.133 -1.831 4.303 47 HA3 GLY 6 HA1 GLY 6 -10.206 -0.827 3.195 48 H PHE 7 HN PHE 7 -11.221 0.620 1.907 49 HA PHE 7 HA PHE 7 -14.094 0.710 1.662 50 HB2 PHE 7 HB2 PHE 7 -12.602 2.796 3.248 51 HB3 PHE 7 HB1 PHE 7 -14.149 3.141 2.482 52 HD1 PHE 7 HD1 PHE 7 -16.186 1.928 3.222 53 HD2 PHE 7 HD2 PHE 7 -12.467 1.564 5.264 54 HE1 PHE 7 HE1 PHE 7 -17.358 1.029 5.190 55 HE2 PHE 7 HE2 PHE 7 -13.634 0.662 7.233 56 HZ PHE 7 HZ PHE 7 -16.082 0.394 7.197 57 H SER 8 HN SER 8 -11.154 2.615 1.266 58 HA SER 8 HA SER 8 -11.765 2.979 -1.565 59 HB2 SER 8 HB2 SER 8 -11.260 5.197 0.435 60 HB3 SER 8 HB1 SER 8 -10.985 5.436 -1.291 61 HG SER 8 HG SER 8 -13.435 4.397 -0.384 62 HA PRO 9 HA PRO 9 -7.300 2.386 -1.852 63 HB2 PRO 9 HB2 PRO 9 -6.761 4.207 -4.028 64 HB3 PRO 9 HB1 PRO 9 -7.013 2.455 -4.108 65 HG2 PRO 9 HG2 PRO 9 -8.731 4.251 -5.198 66 HG3 PRO 9 HG1 PRO 9 -9.227 2.653 -4.607 67 HD2 PRO 9 HD2 PRO 9 -9.405 5.311 -3.230 68 HD3 PRO 9 HD1 PRO 9 -10.642 4.039 -3.380 69 H LEU 10 HN LEU 10 -5.773 3.035 -0.505 70 HA LEU 10 HA LEU 10 -4.962 5.861 -0.451 71 HB2 LEU 10 HB2 LEU 10 -5.507 4.097 1.939 72 HB3 LEU 10 HB1 LEU 10 -4.617 5.604 2.037 73 HG LEU 10 HG LEU 10 -6.819 6.563 0.894 74 HD11 LEU 10 HD11 LEU 10 -8.813 5.463 1.779 75 HD12 LEU 10 HD12 LEU 10 -7.813 4.163 2.428 76 HD13 LEU 10 HD13 LEU 10 -7.926 4.403 0.684 77 HD21 LEU 10 HD21 LEU 10 -7.630 7.120 3.144 78 HD22 LEU 10 HD22 LEU 10 -5.885 7.326 2.998 79 HD23 LEU 10 HD23 LEU 10 -6.539 5.914 3.826 80 H CYS 11 HN CYS 11 -2.781 6.238 -0.064 81 HA CYS 11 HA CYS 11 -1.052 3.868 0.145 82 HB2 CYS 11 HB2 CYS 11 -0.578 6.221 -1.696 83 HB3 CYS 11 HB1 CYS 11 0.491 4.838 -1.492 84 H THR 12 HN THR 12 0.955 4.154 1.126 85 HA THR 12 HA THR 12 1.086 6.332 3.022 86 HB THR 12 HB THR 12 3.057 4.964 3.885 87 HG1 THR 12 HG1 THR 12 2.035 2.737 2.580 88 HG21 THR 12 HG21 THR 12 1.618 3.282 4.971 89 HG22 THR 12 HG22 THR 12 0.338 3.631 3.807 90 HG23 THR 12 HG23 THR 12 0.843 4.867 4.960 91 H LYS 13 HN LYS 13 3.571 4.670 1.152 92 HA LYS 13 HA LYS 13 4.539 7.116 -0.070 93 HB2 LYS 13 HB2 LYS 13 6.140 5.604 1.988 94 HB3 LYS 13 HB1 LYS 13 6.937 6.522 0.721 95 HG2 LYS 13 HG2 LYS 13 5.809 8.552 1.484 96 HG3 LYS 13 HG1 LYS 13 5.009 7.626 2.756 97 HD2 LYS 13 HD2 LYS 13 7.196 7.058 3.711 98 HD3 LYS 13 HD1 LYS 13 7.990 7.993 2.442 99 HE2 LYS 13 HE2 LYS 13 7.927 9.402 4.331 100 HE3 LYS 13 HE1 LYS 13 6.655 9.983 3.260 101 HZ1 LYS 13 HZ1 LYS 13 5.034 8.784 4.600 102 HZ2 LYS 13 HZ2 LYS 13 5.899 9.884 5.549 103 HZ3 LYS 13 HZ3 LYS 13 6.259 8.233 5.629 104 H SER 14 HN SER 14 3.789 3.956 -0.255 105 HA SER 14 HA SER 14 3.923 2.368 -1.850 106 HB2 SER 14 HB2 SER 14 5.627 4.324 -3.399 107 HB3 SER 14 HB1 SER 14 4.990 2.808 -4.037 108 HG SER 14 HG SER 14 3.596 5.139 -3.276 109 H ILE 15 HN ILE 15 7.053 3.856 -1.267 110 HA ILE 15 HA ILE 15 8.178 1.280 -0.546 111 HB ILE 15 HB ILE 15 8.586 1.407 -2.989 112 HG12 ILE 15 HG12 ILE 15 11.207 1.324 -2.845 113 HG13 ILE 15 HG11 ILE 15 10.923 1.443 -1.114 114 HG21 ILE 15 HG21 ILE 15 10.153 3.032 -3.944 115 HG22 ILE 15 HG22 ILE 15 10.189 3.889 -2.404 116 HG23 ILE 15 HG23 ILE 15 8.689 3.795 -3.325 117 HD11 ILE 15 HD11 ILE 15 9.968 -0.714 -2.980 118 HD12 ILE 15 HD12 ILE 15 9.455 -0.567 -1.299 119 HD13 ILE 15 HD13 ILE 15 11.151 -0.858 -1.680 120 HA PRO 16 HA PRO 16 10.061 0.435 0.698 121 HB2 PRO 16 HB2 PRO 16 9.888 0.920 3.615 122 HB3 PRO 16 HB1 PRO 16 11.099 0.018 2.685 123 HG2 PRO 16 HG2 PRO 16 11.702 2.365 3.717 124 HG3 PRO 16 HG1 PRO 16 12.267 1.916 2.094 125 HD2 PRO 16 HD2 PRO 16 9.979 3.690 2.863 126 HD3 PRO 16 HD1 PRO 16 11.221 3.933 1.616 127 HA PRO 17 HA PRO 17 5.945 -0.045 3.419 128 HB2 PRO 17 HB2 PRO 17 4.140 2.010 3.086 129 HB3 PRO 17 HB1 PRO 17 5.260 1.885 4.455 130 HG2 PRO 17 HG2 PRO 17 5.553 3.467 1.927 131 HG3 PRO 17 HG1 PRO 17 5.854 3.971 3.606 132 HD2 PRO 17 HD2 PRO 17 7.872 3.285 2.036 133 HD3 PRO 17 HD1 PRO 17 7.851 2.793 3.740 134 H ILE 18 HN ILE 18 3.334 0.977 2.193 135 HA ILE 18 HA ILE 18 3.536 -0.361 -0.417 136 HB ILE 18 HB ILE 18 2.624 -1.729 1.621 137 HG12 ILE 18 HG12 ILE 18 0.786 -2.683 -0.079 138 HG13 ILE 18 HG11 ILE 18 1.681 -1.661 -1.196 139 HG21 ILE 18 HG21 ILE 18 0.968 -0.166 2.415 140 HG22 ILE 18 HG22 ILE 18 0.191 -1.659 1.885 141 HG23 ILE 18 HG23 ILE 18 0.132 -0.223 0.863 142 HD11 ILE 18 HD11 ILE 18 2.830 -3.875 0.486 143 HD12 ILE 18 HD12 ILE 18 3.741 -2.844 -0.618 144 HD13 ILE 18 HD13 ILE 18 2.507 -3.936 -1.247 Start of MODEL 13 1 H CYS 1 HN CYS 1 1.020 0.194 1.198 2 HA CYS 1 HA CYS 1 0.063 2.923 0.962 3 HB2 CYS 1 HB2 CYS 1 -1.699 0.626 0.050 4 HB3 CYS 1 HB1 CYS 1 -2.092 2.340 0.007 5 H LYS 2 HN LYS 2 -2.326 0.581 1.603 6 HA LYS 2 HA LYS 2 -1.803 0.398 4.464 7 HB2 LYS 2 HB2 LYS 2 -4.306 1.606 3.268 8 HB3 LYS 2 HB1 LYS 2 -4.235 0.994 4.914 9 HG2 LYS 2 HG2 LYS 2 -2.459 2.617 5.423 10 HG3 LYS 2 HG1 LYS 2 -2.589 3.248 3.780 11 HD2 LYS 2 HD2 LYS 2 -4.921 3.860 4.200 12 HD3 LYS 2 HD1 LYS 2 -4.797 3.220 5.839 13 HE2 LYS 2 HE2 LYS 2 -3.054 4.866 6.342 14 HE3 LYS 2 HE1 LYS 2 -3.191 5.509 4.707 15 HZ1 LYS 2 HZ1 LYS 2 -5.348 5.500 6.749 16 HZ2 LYS 2 HZ2 LYS 2 -5.484 6.114 5.178 17 HZ3 LYS 2 HZ3 LYS 2 -4.433 6.846 6.283 18 H ARG 3 HN ARG 3 -3.695 -0.433 1.671 19 HA ARG 3 HA ARG 3 -3.777 -3.237 2.396 20 HB2 ARG 3 HB2 ARG 3 -6.239 -1.508 2.163 21 HB3 ARG 3 HB1 ARG 3 -6.318 -3.214 1.759 22 HG2 ARG 3 HG2 ARG 3 -5.564 -3.781 4.018 23 HG3 ARG 3 HG1 ARG 3 -5.503 -2.063 4.418 24 HD2 ARG 3 HD2 ARG 3 -7.903 -1.876 3.990 25 HD3 ARG 3 HD1 ARG 3 -7.965 -3.589 3.575 26 HE ARG 3 HE ARG 3 -6.879 -3.305 6.150 27 HH11 ARG 3 HH11 ARG 3 -9.967 -2.944 4.517 28 HH12 ARG 3 HH12 ARG 3 -10.890 -3.287 5.941 29 HH21 ARG 3 HH21 ARG 3 -8.108 -3.752 8.002 30 HH22 ARG 3 HH22 ARG 3 -9.838 -3.744 7.912 31 HA PRO 4 HA PRO 4 -3.285 -4.040 -1.988 32 HB2 PRO 4 HB2 PRO 4 -5.912 -5.487 -1.964 33 HB3 PRO 4 HB1 PRO 4 -4.347 -6.003 -2.628 34 HG2 PRO 4 HG2 PRO 4 -5.173 -7.006 -0.355 35 HG3 PRO 4 HG1 PRO 4 -3.475 -6.516 -0.547 36 HD2 PRO 4 HD2 PRO 4 -5.678 -5.145 0.922 37 HD3 PRO 4 HD1 PRO 4 -3.958 -5.277 1.334 38 HA PRO 5 HA PRO 5 -5.425 -1.007 -4.474 39 HB2 PRO 5 HB2 PRO 5 -5.807 -3.069 -6.597 40 HB3 PRO 5 HB1 PRO 5 -5.068 -1.460 -6.705 41 HG2 PRO 5 HG2 PRO 5 -3.553 -3.612 -6.725 42 HG3 PRO 5 HG1 PRO 5 -3.060 -2.165 -5.820 43 HD2 PRO 5 HD2 PRO 5 -4.198 -4.730 -4.798 44 HD3 PRO 5 HD1 PRO 5 -2.929 -3.698 -4.108 45 H GLY 6 HN GLY 6 -7.408 -0.260 -4.268 46 HA2 GLY 6 HA2 GLY 6 -9.714 -1.919 -4.953 47 HA3 GLY 6 HA1 GLY 6 -9.635 -1.293 -3.311 48 H PHE 7 HN PHE 7 -10.423 0.672 -2.916 49 HA PHE 7 HA PHE 7 -10.521 2.741 -4.924 50 HB2 PHE 7 HB2 PHE 7 -12.615 1.170 -5.174 51 HB3 PHE 7 HB1 PHE 7 -13.192 2.034 -3.755 52 HD1 PHE 7 HD1 PHE 7 -13.811 4.366 -3.884 53 HD2 PHE 7 HD2 PHE 7 -12.387 2.284 -7.312 54 HE1 PHE 7 HE1 PHE 7 -14.631 6.185 -5.325 55 HE2 PHE 7 HE2 PHE 7 -13.203 4.099 -8.759 56 HZ PHE 7 HZ PHE 7 -14.326 6.052 -7.766 57 H SER 8 HN SER 8 -11.144 1.611 -1.703 58 HA SER 8 HA SER 8 -11.532 4.304 -0.663 59 HB2 SER 8 HB2 SER 8 -11.634 1.643 0.771 60 HB3 SER 8 HB1 SER 8 -12.035 3.207 1.476 61 HG SER 8 HG SER 8 -13.331 2.082 -0.784 62 HA PRO 9 HA PRO 9 -7.452 2.884 1.708 63 HB2 PRO 9 HB2 PRO 9 -6.108 1.267 -0.376 64 HB3 PRO 9 HB1 PRO 9 -6.253 0.965 1.365 65 HG2 PRO 9 HG2 PRO 9 -7.602 -0.504 -0.374 66 HG3 PRO 9 HG1 PRO 9 -8.329 -0.012 1.170 67 HD2 PRO 9 HD2 PRO 9 -8.743 1.154 -1.559 68 HD3 PRO 9 HD1 PRO 9 -9.941 0.771 -0.307 69 H LEU 10 HN LEU 10 -5.750 4.240 1.694 70 HA LEU 10 HA LEU 10 -5.246 5.783 -0.747 71 HB2 LEU 10 HB2 LEU 10 -4.579 6.307 2.154 72 HB3 LEU 10 HB1 LEU 10 -4.053 7.340 0.839 73 HG LEU 10 HG LEU 10 -6.654 7.421 0.320 74 HD11 LEU 10 HD11 LEU 10 -6.565 6.891 3.288 75 HD12 LEU 10 HD12 LEU 10 -7.299 5.851 2.066 76 HD13 LEU 10 HD13 LEU 10 -7.969 7.452 2.381 77 HD21 LEU 10 HD21 LEU 10 -5.300 8.995 2.505 78 HD22 LEU 10 HD22 LEU 10 -6.776 9.468 1.665 79 HD23 LEU 10 HD23 LEU 10 -5.256 9.351 0.778 80 H CYS 11 HN CYS 11 -2.981 6.406 -1.242 81 HA CYS 11 HA CYS 11 -1.038 4.363 -0.400 82 HB2 CYS 11 HB2 CYS 11 -1.666 5.282 -3.197 83 HB3 CYS 11 HB1 CYS 11 -0.142 4.499 -2.790 84 H THR 12 HN THR 12 1.182 4.927 -0.572 85 HA THR 12 HA THR 12 1.710 7.701 -0.003 86 HB THR 12 HB THR 12 4.032 6.805 0.461 87 HG1 THR 12 HG1 THR 12 2.976 4.225 0.583 88 HG21 THR 12 HG21 THR 12 1.746 5.537 1.987 89 HG22 THR 12 HG22 THR 12 2.413 7.142 2.284 90 HG23 THR 12 HG23 THR 12 3.398 5.709 2.580 91 H LYS 13 HN LYS 13 3.363 5.287 -1.979 92 HA LYS 13 HA LYS 13 3.498 7.048 -4.282 93 HB2 LYS 13 HB2 LYS 13 5.939 6.213 -2.730 94 HB3 LYS 13 HB1 LYS 13 6.038 6.542 -4.451 95 HG2 LYS 13 HG2 LYS 13 5.196 8.809 -4.060 96 HG3 LYS 13 HG1 LYS 13 5.118 8.472 -2.329 97 HD2 LYS 13 HD2 LYS 13 7.534 8.096 -2.290 98 HD3 LYS 13 HD1 LYS 13 7.615 8.409 -4.024 99 HE2 LYS 13 HE2 LYS 13 6.794 10.686 -3.645 100 HE3 LYS 13 HE1 LYS 13 6.722 10.369 -1.912 101 HZ1 LYS 13 HZ1 LYS 13 8.732 11.561 -2.511 102 HZ2 LYS 13 HZ2 LYS 13 9.182 10.326 -3.575 103 HZ3 LYS 13 HZ3 LYS 13 9.113 10.025 -1.912 104 H SER 14 HN SER 14 3.047 4.080 -2.971 105 HA SER 14 HA SER 14 2.598 2.028 -3.792 106 HB2 SER 14 HB2 SER 14 1.706 3.220 -5.808 107 HB3 SER 14 HB1 SER 14 3.288 3.018 -6.560 108 HG SER 14 HG SER 14 2.109 0.731 -5.512 109 H ILE 15 HN ILE 15 5.533 3.443 -5.078 110 HA ILE 15 HA ILE 15 7.097 1.189 -4.183 111 HB ILE 15 HB ILE 15 6.350 0.402 -6.412 112 HG12 ILE 15 HG12 ILE 15 8.737 0.174 -7.464 113 HG13 ILE 15 HG11 ILE 15 9.267 0.943 -5.975 114 HG21 ILE 15 HG21 ILE 15 7.140 1.462 -8.478 115 HG22 ILE 15 HG22 ILE 15 7.776 2.808 -7.532 116 HG23 ILE 15 HG23 ILE 15 6.040 2.498 -7.568 117 HD11 ILE 15 HD11 ILE 15 9.465 -1.396 -5.674 118 HD12 ILE 15 HD12 ILE 15 7.838 -1.682 -6.291 119 HD13 ILE 15 HD13 ILE 15 8.062 -0.884 -4.735 120 HA PRO 16 HA PRO 16 9.449 0.688 -3.785 121 HB2 PRO 16 HB2 PRO 16 10.586 2.184 -1.492 122 HB3 PRO 16 HB1 PRO 16 11.321 0.918 -2.495 123 HG2 PRO 16 HG2 PRO 16 12.089 3.421 -2.762 124 HG3 PRO 16 HG1 PRO 16 11.871 2.386 -4.192 125 HD2 PRO 16 HD2 PRO 16 10.044 4.493 -3.101 126 HD3 PRO 16 HD1 PRO 16 10.522 4.179 -4.783 127 HA PRO 17 HA PRO 17 7.170 1.451 0.561 128 HB2 PRO 17 HB2 PRO 17 5.228 3.409 0.450 129 HB3 PRO 17 HB1 PRO 17 6.856 3.661 1.111 130 HG2 PRO 17 HG2 PRO 17 5.817 4.312 -1.620 131 HG3 PRO 17 HG1 PRO 17 6.824 5.302 -0.540 132 HD2 PRO 17 HD2 PRO 17 7.920 3.986 -2.560 133 HD3 PRO 17 HD1 PRO 17 8.743 4.072 -0.989 134 H ILE 18 HN ILE 18 4.465 1.722 0.939 135 HA ILE 18 HA ILE 18 3.197 0.147 -1.203 136 HB ILE 18 HB ILE 18 2.587 -0.394 1.709 137 HG12 ILE 18 HG12 ILE 18 4.305 -2.393 0.402 138 HG13 ILE 18 HG11 ILE 18 5.108 -0.858 0.715 139 HG21 ILE 18 HG21 ILE 18 0.976 -1.228 0.076 140 HG22 ILE 18 HG22 ILE 18 1.807 -2.571 0.859 141 HG23 ILE 18 HG23 ILE 18 2.257 -2.090 -0.777 142 HD11 ILE 18 HD11 ILE 18 3.695 -2.564 2.753 143 HD12 ILE 18 HD12 ILE 18 4.486 -1.020 3.072 144 HD13 ILE 18 HD13 ILE 18 5.440 -2.410 2.547 Start of MODEL 14 1 H CYS 1 HN CYS 1 0.995 -0.394 -0.932 2 HA CYS 1 HA CYS 1 -0.947 1.755 -0.611 3 HB2 CYS 1 HB2 CYS 1 0.357 1.292 -3.112 4 HB3 CYS 1 HB1 CYS 1 -1.328 0.809 -3.269 5 H LYS 2 HN LYS 2 -3.113 1.124 -0.864 6 HA LYS 2 HA LYS 2 -4.927 -0.192 -0.590 7 HB2 LYS 2 HB2 LYS 2 -3.304 -2.239 -2.120 8 HB3 LYS 2 HB1 LYS 2 -5.016 -2.391 -1.752 9 HG2 LYS 2 HG2 LYS 2 -5.430 -0.316 -3.046 10 HG3 LYS 2 HG1 LYS 2 -3.722 -0.291 -3.484 11 HD2 LYS 2 HD2 LYS 2 -3.968 -2.475 -4.563 12 HD3 LYS 2 HD1 LYS 2 -5.675 -2.506 -4.118 13 HE2 LYS 2 HE2 LYS 2 -6.061 -0.501 -5.465 14 HE3 LYS 2 HE1 LYS 2 -4.354 -0.467 -5.906 15 HZ1 LYS 2 HZ1 LYS 2 -4.630 -2.611 -6.988 16 HZ2 LYS 2 HZ2 LYS 2 -5.695 -1.472 -7.643 17 HZ3 LYS 2 HZ3 LYS 2 -6.268 -2.641 -6.564 18 H ARG 3 HN ARG 3 -5.383 -0.670 1.412 19 HA ARG 3 HA ARG 3 -4.019 -2.935 2.689 20 HB2 ARG 3 HB2 ARG 3 -4.549 -0.223 3.874 21 HB3 ARG 3 HB1 ARG 3 -4.330 -1.638 4.891 22 HG2 ARG 3 HG2 ARG 3 -2.114 -1.994 3.889 23 HG3 ARG 3 HG1 ARG 3 -2.339 -0.539 2.916 24 HD2 ARG 3 HD2 ARG 3 -2.512 0.803 4.945 25 HD3 ARG 3 HD1 ARG 3 -2.329 -0.648 5.930 26 HE ARG 3 HE ARG 3 -0.143 -0.361 4.147 27 HH11 ARG 3 HH11 ARG 3 -1.402 0.952 7.151 28 HH12 ARG 3 HH12 ARG 3 0.160 1.424 7.733 29 HH21 ARG 3 HH21 ARG 3 1.890 0.265 4.928 30 HH22 ARG 3 HH22 ARG 3 2.021 1.035 6.475 31 HA PRO 4 HA PRO 4 -8.510 -2.643 4.656 32 HB2 PRO 4 HB2 PRO 4 -10.352 -1.214 3.177 33 HB3 PRO 4 HB1 PRO 4 -9.496 -0.569 4.590 34 HG2 PRO 4 HG2 PRO 4 -8.904 -0.190 1.695 35 HG3 PRO 4 HG1 PRO 4 -8.862 0.990 3.021 36 HD2 PRO 4 HD2 PRO 4 -6.618 -0.096 2.067 37 HD3 PRO 4 HD1 PRO 4 -6.814 0.257 3.795 38 HA PRO 5 HA PRO 5 -10.060 -5.858 1.954 39 HB2 PRO 5 HB2 PRO 5 -12.862 -5.333 2.725 40 HB3 PRO 5 HB1 PRO 5 -11.875 -6.782 2.991 41 HG2 PRO 5 HG2 PRO 5 -12.535 -5.187 5.009 42 HG3 PRO 5 HG1 PRO 5 -10.942 -5.970 4.926 43 HD2 PRO 5 HD2 PRO 5 -11.688 -3.146 4.267 44 HD3 PRO 5 HD1 PRO 5 -10.284 -3.763 5.162 45 H GLY 6 HN GLY 6 -11.324 -2.684 1.597 46 HA2 GLY 6 HA2 GLY 6 -11.307 -2.249 -0.981 47 HA3 GLY 6 HA1 GLY 6 -12.688 -3.332 -0.917 48 H PHE 7 HN PHE 7 -11.432 -0.229 0.190 49 HA PHE 7 HA PHE 7 -14.184 0.772 0.319 50 HB2 PHE 7 HB2 PHE 7 -12.997 0.366 2.603 51 HB3 PHE 7 HB1 PHE 7 -12.089 1.817 2.198 52 HD1 PHE 7 HD1 PHE 7 -15.354 0.471 3.131 53 HD2 PHE 7 HD2 PHE 7 -13.162 3.986 2.156 54 HE1 PHE 7 HE1 PHE 7 -17.184 1.853 4.021 55 HE2 PHE 7 HE2 PHE 7 -14.988 5.376 3.044 56 HZ PHE 7 HZ PHE 7 -17.002 4.310 3.979 57 H SER 8 HN SER 8 -10.853 1.966 0.467 58 HA SER 8 HA SER 8 -11.228 3.546 -1.921 59 HB2 SER 8 HB2 SER 8 -10.709 4.836 0.779 60 HB3 SER 8 HB1 SER 8 -10.431 5.668 -0.751 61 HG SER 8 HG SER 8 -12.756 4.961 -1.143 62 HA PRO 9 HA PRO 9 -6.777 2.749 -1.998 63 HB2 PRO 9 HB2 PRO 9 -5.977 4.936 -3.644 64 HB3 PRO 9 HB1 PRO 9 -6.478 3.325 -4.183 65 HG2 PRO 9 HG2 PRO 9 -7.860 5.644 -4.718 66 HG3 PRO 9 HG1 PRO 9 -8.565 4.015 -4.732 67 HD2 PRO 9 HD2 PRO 9 -8.613 6.079 -2.558 68 HD3 PRO 9 HD1 PRO 9 -9.931 5.045 -3.157 69 H LEU 10 HN LEU 10 -5.103 3.038 -0.670 70 HA LEU 10 HA LEU 10 -4.393 5.745 0.228 71 HB2 LEU 10 HB2 LEU 10 -4.767 3.325 1.996 72 HB3 LEU 10 HB1 LEU 10 -3.963 4.793 2.515 73 HG LEU 10 HG LEU 10 -6.266 5.888 1.741 74 HD11 LEU 10 HD11 LEU 10 -7.043 3.089 2.551 75 HD12 LEU 10 HD12 LEU 10 -7.250 3.804 0.952 76 HD13 LEU 10 HD13 LEU 10 -8.150 4.444 2.327 77 HD21 LEU 10 HD21 LEU 10 -7.008 5.734 4.075 78 HD22 LEU 10 HD22 LEU 10 -5.284 6.087 3.952 79 HD23 LEU 10 HD23 LEU 10 -5.824 4.459 4.359 80 H CYS 11 HN CYS 11 -2.230 6.128 0.467 81 HA CYS 11 HA CYS 11 -0.401 3.860 0.098 82 HB2 CYS 11 HB2 CYS 11 -0.848 5.979 -1.759 83 HB3 CYS 11 HB1 CYS 11 0.775 6.161 -1.104 84 H THR 12 HN THR 12 0.196 3.773 2.210 85 HA THR 12 HA THR 12 1.397 6.133 3.452 86 HB THR 12 HB THR 12 1.470 4.452 5.449 87 HG1 THR 12 HG1 THR 12 -0.817 3.333 4.299 88 HG21 THR 12 HG21 THR 12 -0.815 5.112 6.107 89 HG22 THR 12 HG22 THR 12 -1.147 5.597 4.445 90 HG23 THR 12 HG23 THR 12 0.061 6.465 5.391 91 H LYS 13 HN LYS 13 3.439 5.919 4.549 92 HA LYS 13 HA LYS 13 5.655 5.471 4.623 93 HB2 LYS 13 HB2 LYS 13 4.679 2.661 4.073 94 HB3 LYS 13 HB1 LYS 13 6.370 3.042 4.358 95 HG2 LYS 13 HG2 LYS 13 5.805 3.910 6.572 96 HG3 LYS 13 HG1 LYS 13 4.105 3.527 6.284 97 HD2 LYS 13 HD2 LYS 13 4.679 1.157 6.066 98 HD3 LYS 13 HD1 LYS 13 6.378 1.541 6.348 99 HE2 LYS 13 HE2 LYS 13 5.810 2.397 8.570 100 HE3 LYS 13 HE1 LYS 13 4.113 2.013 8.285 101 HZ1 LYS 13 HZ1 LYS 13 4.711 -0.323 8.103 102 HZ2 LYS 13 HZ2 LYS 13 5.198 0.302 9.597 103 HZ3 LYS 13 HZ3 LYS 13 6.339 0.047 8.377 104 H SER 14 HN SER 14 6.425 6.679 3.030 105 HA SER 14 HA SER 14 6.376 5.785 0.269 106 HB2 SER 14 HB2 SER 14 5.932 8.159 0.925 107 HB3 SER 14 HB1 SER 14 7.622 8.293 1.413 108 HG SER 14 HG SER 14 7.540 9.014 -0.661 109 H ILE 15 HN ILE 15 8.334 4.917 2.736 110 HA ILE 15 HA ILE 15 10.577 4.463 0.924 111 HB ILE 15 HB ILE 15 11.222 6.478 2.099 112 HG12 ILE 15 HG12 ILE 15 13.308 5.549 3.363 113 HG13 ILE 15 HG11 ILE 15 12.749 3.985 2.783 114 HG21 ILE 15 HG21 ILE 15 9.897 6.320 4.110 115 HG22 ILE 15 HG22 ILE 15 11.596 6.562 4.521 116 HG23 ILE 15 HG23 ILE 15 10.870 4.963 4.678 117 HD11 ILE 15 HD11 ILE 15 13.447 6.360 1.067 118 HD12 ILE 15 HD12 ILE 15 12.884 4.793 0.482 119 HD13 ILE 15 HD13 ILE 15 14.436 4.920 1.311 120 HA PRO 16 HA PRO 16 10.158 2.820 -0.159 121 HB2 PRO 16 HB2 PRO 16 8.937 0.201 -0.441 122 HB3 PRO 16 HB1 PRO 16 10.543 0.718 -0.979 123 HG2 PRO 16 HG2 PRO 16 10.136 -1.105 0.999 124 HG3 PRO 16 HG1 PRO 16 11.575 -0.072 0.883 125 HD2 PRO 16 HD2 PRO 16 9.144 0.274 2.596 126 HD3 PRO 16 HD1 PRO 16 10.856 0.502 3.011 127 HA PRO 17 HA PRO 17 5.722 3.643 -0.296 128 HB2 PRO 17 HB2 PRO 17 5.200 2.852 -3.031 129 HB3 PRO 17 HB1 PRO 17 5.439 4.485 -2.384 130 HG2 PRO 17 HG2 PRO 17 7.209 3.321 -4.081 131 HG3 PRO 17 HG1 PRO 17 7.690 4.497 -2.840 132 HD2 PRO 17 HD2 PRO 17 7.809 1.496 -2.735 133 HD3 PRO 17 HD1 PRO 17 9.061 2.685 -2.300 134 H ILE 18 HN ILE 18 3.814 2.795 0.202 135 HA ILE 18 HA ILE 18 3.185 0.029 -0.584 136 HB ILE 18 HB ILE 18 2.858 1.223 2.188 137 HG12 ILE 18 HG12 ILE 18 5.129 0.454 1.825 138 HG13 ILE 18 HG11 ILE 18 4.320 -0.647 2.927 139 HG21 ILE 18 HG21 ILE 18 1.902 -0.927 2.902 140 HG22 ILE 18 HG22 ILE 18 1.902 -1.474 1.225 141 HG23 ILE 18 HG23 ILE 18 0.892 -0.112 1.707 142 HD11 ILE 18 HD11 ILE 18 5.074 -1.108 0.052 143 HD12 ILE 18 HD12 ILE 18 3.939 -2.149 0.909 144 HD13 ILE 18 HD13 ILE 18 5.599 -1.994 1.484 Start of MODEL 15 1 H CYS 1 HN CYS 1 0.941 -0.470 -1.145 2 HA CYS 1 HA CYS 1 -0.979 1.715 -0.973 3 HB2 CYS 1 HB2 CYS 1 -0.128 0.556 -3.639 4 HB3 CYS 1 HB1 CYS 1 -1.499 1.633 -3.399 5 H LYS 2 HN LYS 2 -3.078 1.086 -1.018 6 HA LYS 2 HA LYS 2 -4.901 -0.222 -0.732 7 HB2 LYS 2 HB2 LYS 2 -3.516 -1.909 -2.823 8 HB3 LYS 2 HB1 LYS 2 -5.151 -2.213 -2.252 9 HG2 LYS 2 HG2 LYS 2 -5.824 0.014 -3.043 10 HG3 LYS 2 HG1 LYS 2 -4.187 0.278 -3.648 11 HD2 LYS 2 HD2 LYS 2 -4.422 -1.613 -5.163 12 HD3 LYS 2 HD1 LYS 2 -6.037 -1.938 -4.530 13 HE2 LYS 2 HE2 LYS 2 -6.808 0.223 -5.344 14 HE3 LYS 2 HE1 LYS 2 -5.187 0.595 -5.932 15 HZ1 LYS 2 HZ1 LYS 2 -5.357 -1.272 -7.459 16 HZ2 LYS 2 HZ2 LYS 2 -6.620 -0.178 -7.715 17 HZ3 LYS 2 HZ3 LYS 2 -6.910 -1.626 -6.892 18 H ARG 3 HN ARG 3 -5.252 -1.128 1.149 19 HA ARG 3 HA ARG 3 -3.957 -3.680 1.776 20 HB2 ARG 3 HB2 ARG 3 -3.087 -1.406 2.993 21 HB3 ARG 3 HB1 ARG 3 -4.339 -1.925 4.115 22 HG2 ARG 3 HG2 ARG 3 -3.258 -4.117 4.296 23 HG3 ARG 3 HG1 ARG 3 -1.990 -3.571 3.198 24 HD2 ARG 3 HD2 ARG 3 -1.100 -3.317 5.363 25 HD3 ARG 3 HD1 ARG 3 -1.562 -1.696 4.851 26 HE ARG 3 HE ARG 3 -3.715 -2.791 6.243 27 HH11 ARG 3 HH11 ARG 3 -0.427 -1.774 6.940 28 HH12 ARG 3 HH12 ARG 3 -0.776 -1.384 8.591 29 HH21 ARG 3 HH21 ARG 3 -4.149 -2.273 8.407 30 HH22 ARG 3 HH22 ARG 3 -2.881 -1.667 9.420 31 HA PRO 4 HA PRO 4 -8.128 -3.601 4.095 32 HB2 PRO 4 HB2 PRO 4 -9.593 -1.168 3.850 33 HB3 PRO 4 HB1 PRO 4 -8.762 -1.777 5.289 34 HG2 PRO 4 HG2 PRO 4 -8.045 0.498 3.905 35 HG3 PRO 4 HG1 PRO 4 -6.982 -0.418 4.990 36 HD2 PRO 4 HD2 PRO 4 -7.141 -0.486 2.006 37 HD3 PRO 4 HD1 PRO 4 -5.715 -0.552 3.062 38 HA PRO 5 HA PRO 5 -10.465 -4.395 0.318 39 HB2 PRO 5 HB2 PRO 5 -12.204 -6.223 1.282 40 HB3 PRO 5 HB1 PRO 5 -10.490 -6.596 1.016 41 HG2 PRO 5 HG2 PRO 5 -11.913 -5.986 3.556 42 HG3 PRO 5 HG1 PRO 5 -10.629 -7.167 3.234 43 HD2 PRO 5 HD2 PRO 5 -10.210 -4.707 4.393 44 HD3 PRO 5 HD1 PRO 5 -8.972 -5.634 3.525 45 H GLY 6 HN GLY 6 -11.683 -2.781 3.047 46 HA2 GLY 6 HA2 GLY 6 -14.246 -2.257 1.662 47 HA3 GLY 6 HA1 GLY 6 -14.117 -2.355 3.408 48 H PHE 7 HN PHE 7 -11.732 -0.735 1.390 49 HA PHE 7 HA PHE 7 -12.824 1.896 2.053 50 HB2 PHE 7 HB2 PHE 7 -10.180 0.834 2.997 51 HB3 PHE 7 HB1 PHE 7 -10.357 2.551 2.660 52 HD1 PHE 7 HD1 PHE 7 -11.425 -0.214 4.832 53 HD2 PHE 7 HD2 PHE 7 -11.657 3.969 4.079 54 HE1 PHE 7 HE1 PHE 7 -12.389 0.130 7.068 55 HE2 PHE 7 HE2 PHE 7 -12.624 4.320 6.314 56 HZ PHE 7 HZ PHE 7 -12.990 2.400 7.812 57 H SER 8 HN SER 8 -11.429 3.667 0.983 58 HA SER 8 HA SER 8 -11.249 3.064 -1.800 59 HB2 SER 8 HB2 SER 8 -10.792 5.543 -0.136 60 HB3 SER 8 HB1 SER 8 -10.460 5.539 -1.868 61 HG SER 8 HG SER 8 -12.911 4.501 -1.133 62 HA PRO 9 HA PRO 9 -6.799 2.407 -2.048 63 HB2 PRO 9 HB2 PRO 9 -6.256 4.037 -4.387 64 HB3 PRO 9 HB1 PRO 9 -6.452 2.278 -4.293 65 HG2 PRO 9 HG2 PRO 9 -8.212 3.870 -5.580 66 HG3 PRO 9 HG1 PRO 9 -8.681 2.354 -4.783 67 HD2 PRO 9 HD2 PRO 9 -8.895 5.166 -3.757 68 HD3 PRO 9 HD1 PRO 9 -10.121 3.875 -3.753 69 H LEU 10 HN LEU 10 -5.300 3.148 -0.744 70 HA LEU 10 HA LEU 10 -4.371 5.925 -0.967 71 HB2 LEU 10 HB2 LEU 10 -5.118 4.482 1.577 72 HB3 LEU 10 HB1 LEU 10 -4.112 5.917 1.559 73 HG LEU 10 HG LEU 10 -6.192 6.899 0.207 74 HD11 LEU 10 HD11 LEU 10 -8.292 6.074 1.150 75 HD12 LEU 10 HD12 LEU 10 -7.415 4.789 1.982 76 HD13 LEU 10 HD13 LEU 10 -7.464 4.824 0.219 77 HD21 LEU 10 HD21 LEU 10 -7.016 7.795 2.337 78 HD22 LEU 10 HD22 LEU 10 -5.257 7.845 2.235 79 HD23 LEU 10 HD23 LEU 10 -6.050 6.603 3.204 80 H CYS 11 HN CYS 11 -2.186 6.254 -0.132 81 HA CYS 11 HA CYS 11 -0.621 3.775 0.075 82 HB2 CYS 11 HB2 CYS 11 0.176 6.206 -1.542 83 HB3 CYS 11 HB1 CYS 11 1.150 4.758 -1.312 84 H THR 12 HN THR 12 0.002 3.761 2.119 85 HA THR 12 HA THR 12 0.990 6.193 3.401 86 HB THR 12 HB THR 12 1.039 4.552 5.420 87 HG1 THR 12 HG1 THR 12 -1.033 3.219 4.083 88 HG21 THR 12 HG21 THR 12 -0.535 6.426 5.225 89 HG22 THR 12 HG22 THR 12 -1.340 5.008 5.894 90 HG23 THR 12 HG23 THR 12 -1.586 5.444 4.204 91 H LYS 13 HN LYS 13 2.970 6.134 4.606 92 HA LYS 13 HA LYS 13 5.202 5.837 4.824 93 HB2 LYS 13 HB2 LYS 13 4.441 2.961 4.285 94 HB3 LYS 13 HB1 LYS 13 6.087 3.453 4.650 95 HG2 LYS 13 HG2 LYS 13 5.342 4.335 6.809 96 HG3 LYS 13 HG1 LYS 13 3.693 3.828 6.440 97 HD2 LYS 13 HD2 LYS 13 4.434 1.500 6.320 98 HD3 LYS 13 HD1 LYS 13 6.087 2.006 6.674 99 HE2 LYS 13 HE2 LYS 13 5.351 2.877 8.840 100 HE3 LYS 13 HE1 LYS 13 3.702 2.366 8.486 101 HZ1 LYS 13 HZ1 LYS 13 4.837 0.770 9.897 102 HZ2 LYS 13 HZ2 LYS 13 6.050 0.565 8.739 103 HZ3 LYS 13 HZ3 LYS 13 4.469 0.076 8.399 104 H SER 14 HN SER 14 5.986 7.066 3.255 105 HA SER 14 HA SER 14 6.028 6.381 0.493 106 HB2 SER 14 HB2 SER 14 7.565 8.505 1.996 107 HB3 SER 14 HB1 SER 14 7.439 8.394 0.241 108 HG SER 14 HG SER 14 5.004 8.334 0.944 109 H ILE 15 HN ILE 15 8.067 5.421 3.059 110 HA ILE 15 HA ILE 15 9.922 4.256 1.142 111 HB ILE 15 HB ILE 15 11.018 6.338 1.749 112 HG12 ILE 15 HG12 ILE 15 13.120 5.278 2.953 113 HG13 ILE 15 HG11 ILE 15 12.257 3.774 2.652 114 HG21 ILE 15 HG21 ILE 15 10.907 5.427 4.617 115 HG22 ILE 15 HG22 ILE 15 10.046 6.793 3.910 116 HG23 ILE 15 HG23 ILE 15 11.805 6.822 4.019 117 HD11 ILE 15 HD11 ILE 15 13.859 4.241 0.891 118 HD12 ILE 15 HD12 ILE 15 13.074 5.786 0.569 119 HD13 ILE 15 HD13 ILE 15 12.211 4.279 0.264 120 HA PRO 16 HA PRO 16 10.046 2.395 0.485 121 HB2 PRO 16 HB2 PRO 16 8.652 -0.165 0.685 122 HB3 PRO 16 HB1 PRO 16 10.327 0.141 0.200 123 HG2 PRO 16 HG2 PRO 16 9.683 -1.129 2.492 124 HG3 PRO 16 HG1 PRO 16 11.143 -0.135 2.310 125 HD2 PRO 16 HD2 PRO 16 8.525 0.585 3.579 126 HD3 PRO 16 HD1 PRO 16 10.178 0.900 4.150 127 HA PRO 17 HA PRO 17 5.752 3.338 -0.556 128 HB2 PRO 17 HB2 PRO 17 5.624 2.040 -3.132 129 HB3 PRO 17 HB1 PRO 17 5.912 3.754 -2.783 130 HG2 PRO 17 HG2 PRO 17 7.810 2.137 -3.879 131 HG3 PRO 17 HG1 PRO 17 8.197 3.532 -2.850 132 HD2 PRO 17 HD2 PRO 17 8.021 0.629 -2.099 133 HD3 PRO 17 HD1 PRO 17 9.294 1.814 -1.711 134 H ILE 18 HN ILE 18 3.798 2.630 -0.039 135 HA ILE 18 HA ILE 18 3.046 -0.160 -0.571 136 HB ILE 18 HB ILE 18 2.667 1.278 2.073 137 HG12 ILE 18 HG12 ILE 18 4.900 0.356 1.900 138 HG13 ILE 18 HG11 ILE 18 3.971 -0.616 3.028 139 HG21 ILE 18 HG21 ILE 18 1.600 -1.430 1.272 140 HG22 ILE 18 HG22 ILE 18 0.649 0.021 1.590 141 HG23 ILE 18 HG23 ILE 18 1.548 -0.749 2.899 142 HD11 ILE 18 HD11 ILE 18 5.243 -2.133 1.758 143 HD12 ILE 18 HD12 ILE 18 4.850 -1.324 0.242 144 HD13 ILE 18 HD13 ILE 18 3.610 -2.238 1.101 Start of MODEL 16 1 H CYS 1 HN CYS 1 0.975 -0.394 -1.388 2 HA CYS 1 HA CYS 1 -1.093 1.617 -1.021 3 HB2 CYS 1 HB2 CYS 1 0.005 2.181 -3.211 4 HB3 CYS 1 HB1 CYS 1 -0.466 0.591 -3.802 5 H LYS 2 HN LYS 2 -3.244 0.802 -1.564 6 HA LYS 2 HA LYS 2 -4.937 -0.700 -1.450 7 HB2 LYS 2 HB2 LYS 2 -2.882 -2.545 -2.675 8 HB3 LYS 2 HB1 LYS 2 -4.535 -3.044 -2.346 9 HG2 LYS 2 HG2 LYS 2 -5.361 -1.285 -3.833 10 HG3 LYS 2 HG1 LYS 2 -3.699 -0.796 -4.170 11 HD2 LYS 2 HD2 LYS 2 -3.237 -3.006 -5.111 12 HD3 LYS 2 HD1 LYS 2 -4.893 -3.505 -4.763 13 HE2 LYS 2 HE2 LYS 2 -4.226 -1.153 -6.519 14 HE3 LYS 2 HE1 LYS 2 -4.409 -2.789 -7.145 15 HZ1 LYS 2 HZ1 LYS 2 -6.456 -1.522 -7.352 16 HZ2 LYS 2 HZ2 LYS 2 -6.496 -1.260 -5.682 17 HZ3 LYS 2 HZ3 LYS 2 -6.670 -2.826 -6.297 18 H ARG 3 HN ARG 3 -5.827 -1.656 0.232 19 HA ARG 3 HA ARG 3 -4.133 -3.205 2.079 20 HB2 ARG 3 HB2 ARG 3 -6.039 -0.954 2.699 21 HB3 ARG 3 HB1 ARG 3 -5.637 -2.158 3.912 22 HG2 ARG 3 HG2 ARG 3 -3.272 -1.566 3.714 23 HG3 ARG 3 HG1 ARG 3 -3.683 -0.354 2.498 24 HD2 ARG 3 HD2 ARG 3 -5.058 0.827 4.141 25 HD3 ARG 3 HD1 ARG 3 -4.654 -0.388 5.354 26 HE ARG 3 HE ARG 3 -2.274 0.690 4.336 27 HH11 ARG 3 HH11 ARG 3 -4.985 1.705 6.327 28 HH12 ARG 3 HH12 ARG 3 -4.052 2.873 7.202 29 HH21 ARG 3 HH21 ARG 3 -1.075 2.224 5.494 30 HH22 ARG 3 HH22 ARG 3 -1.840 3.167 6.729 31 HA PRO 4 HA PRO 4 -7.039 -6.585 2.230 32 HB2 PRO 4 HB2 PRO 4 -7.828 -6.193 5.001 33 HB3 PRO 4 HB1 PRO 4 -6.854 -7.486 4.289 34 HG2 PRO 4 HG2 PRO 4 -5.975 -5.124 5.727 35 HG3 PRO 4 HG1 PRO 4 -5.064 -6.571 5.275 36 HD2 PRO 4 HD2 PRO 4 -4.632 -4.122 4.166 37 HD3 PRO 4 HD1 PRO 4 -4.302 -5.648 3.330 38 HA PRO 5 HA PRO 5 -11.229 -4.518 3.457 39 HB2 PRO 5 HB2 PRO 5 -10.772 -1.715 4.139 40 HB3 PRO 5 HB1 PRO 5 -11.558 -2.977 5.104 41 HG2 PRO 5 HG2 PRO 5 -9.190 -1.909 5.794 42 HG3 PRO 5 HG1 PRO 5 -9.618 -3.597 6.140 43 HD2 PRO 5 HD2 PRO 5 -7.927 -2.505 3.921 44 HD3 PRO 5 HD1 PRO 5 -7.637 -3.906 4.970 45 H GLY 6 HN GLY 6 -12.714 -3.429 2.109 46 HA2 GLY 6 HA2 GLY 6 -11.490 -2.268 -0.295 47 HA3 GLY 6 HA1 GLY 6 -13.101 -2.960 -0.192 48 H PHE 7 HN PHE 7 -11.515 -0.494 1.823 49 HA PHE 7 HA PHE 7 -13.379 1.537 0.827 50 HB2 PHE 7 HB2 PHE 7 -13.016 0.787 3.735 51 HB3 PHE 7 HB1 PHE 7 -13.747 2.301 3.213 52 HD1 PHE 7 HD1 PHE 7 -14.176 -1.316 3.479 53 HD2 PHE 7 HD2 PHE 7 -15.946 2.336 2.198 54 HE1 PHE 7 HE1 PHE 7 -16.361 -2.435 3.320 55 HE2 PHE 7 HE2 PHE 7 -18.134 1.223 2.037 56 HZ PHE 7 HZ PHE 7 -18.344 -1.165 2.599 57 H SER 8 HN SER 8 -12.609 3.617 0.860 58 HA SER 8 HA SER 8 -11.054 5.269 0.646 59 HB2 SER 8 HB2 SER 8 -9.806 5.825 2.691 60 HB3 SER 8 HB1 SER 8 -11.485 5.421 3.041 61 HG SER 8 HG SER 8 -9.410 3.507 3.211 62 HA PRO 9 HA PRO 9 -7.378 2.286 -0.265 63 HB2 PRO 9 HB2 PRO 9 -8.151 2.192 -3.091 64 HB3 PRO 9 HB1 PRO 9 -7.833 0.850 -1.976 65 HG2 PRO 9 HG2 PRO 9 -10.290 1.358 -2.898 66 HG3 PRO 9 HG1 PRO 9 -10.006 0.741 -1.257 67 HD2 PRO 9 HD2 PRO 9 -10.547 3.552 -2.141 68 HD3 PRO 9 HD1 PRO 9 -11.262 2.640 -0.793 69 H LEU 10 HN LEU 10 -5.608 3.441 -0.404 70 HA LEU 10 HA LEU 10 -5.265 5.415 -2.549 71 HB2 LEU 10 HB2 LEU 10 -4.740 5.896 0.392 72 HB3 LEU 10 HB1 LEU 10 -4.130 6.933 -0.882 73 HG LEU 10 HG LEU 10 -7.074 6.441 -0.730 74 HD11 LEU 10 HD11 LEU 10 -5.562 8.366 1.031 75 HD12 LEU 10 HD12 LEU 10 -6.470 6.952 1.568 76 HD13 LEU 10 HD13 LEU 10 -7.313 8.314 0.831 77 HD21 LEU 10 HD21 LEU 10 -5.392 8.831 -1.481 78 HD22 LEU 10 HD22 LEU 10 -7.150 8.735 -1.580 79 HD23 LEU 10 HD23 LEU 10 -6.151 7.704 -2.604 80 H CYS 11 HN CYS 11 -2.808 6.218 -2.408 81 HA CYS 11 HA CYS 11 -1.087 3.884 -1.877 82 HB2 CYS 11 HB2 CYS 11 -0.868 5.720 -4.275 83 HB3 CYS 11 HB1 CYS 11 0.183 4.360 -3.917 84 H THR 12 HN THR 12 0.396 4.390 -0.427 85 HA THR 12 HA THR 12 1.238 7.160 -0.060 86 HB THR 12 HB THR 12 2.380 6.044 1.999 87 HG1 THR 12 HG1 THR 12 0.274 4.214 1.901 88 HG21 THR 12 HG21 THR 12 0.308 6.314 3.315 89 HG22 THR 12 HG22 THR 12 -0.628 6.323 1.821 90 HG23 THR 12 HG23 THR 12 0.511 7.628 2.155 91 H LYS 13 HN LYS 13 3.435 7.732 0.072 92 HA LYS 13 HA LYS 13 5.338 5.762 -0.949 93 HB2 LYS 13 HB2 LYS 13 6.420 7.586 -2.318 94 HB3 LYS 13 HB1 LYS 13 4.875 7.001 -2.905 95 HG2 LYS 13 HG2 LYS 13 3.771 8.984 -1.971 96 HG3 LYS 13 HG1 LYS 13 5.328 9.568 -1.381 97 HD2 LYS 13 HD2 LYS 13 6.163 9.660 -3.681 98 HD3 LYS 13 HD1 LYS 13 4.605 9.076 -4.270 99 HE2 LYS 13 HE2 LYS 13 3.514 11.063 -3.354 100 HE3 LYS 13 HE1 LYS 13 5.069 11.645 -2.759 101 HZ1 LYS 13 HZ1 LYS 13 5.857 11.753 -5.043 102 HZ2 LYS 13 HZ2 LYS 13 4.472 12.703 -4.844 103 HZ3 LYS 13 HZ3 LYS 13 4.362 11.199 -5.610 104 H SER 14 HN SER 14 5.803 5.578 1.309 105 HA SER 14 HA SER 14 7.278 7.780 2.512 106 HB2 SER 14 HB2 SER 14 6.485 5.100 3.665 107 HB3 SER 14 HB1 SER 14 7.283 6.394 4.558 108 HG SER 14 HG SER 14 5.454 7.450 4.675 109 H ILE 15 HN ILE 15 8.077 4.389 2.956 110 HA ILE 15 HA ILE 15 10.295 4.220 1.261 111 HB ILE 15 HB ILE 15 11.347 5.925 2.629 112 HG12 ILE 15 HG12 ILE 15 13.324 4.471 3.597 113 HG13 ILE 15 HG11 ILE 15 12.493 3.166 2.759 114 HG21 ILE 15 HG21 ILE 15 10.946 4.123 5.009 115 HG22 ILE 15 HG22 ILE 15 10.166 5.677 4.716 116 HG23 ILE 15 HG23 ILE 15 11.906 5.604 4.995 117 HD11 ILE 15 HD11 ILE 15 14.252 4.121 1.387 118 HD12 ILE 15 HD12 ILE 15 13.498 5.712 1.505 119 HD13 ILE 15 HD13 ILE 15 12.669 4.402 0.663 120 HA PRO 16 HA PRO 16 9.994 2.777 -0.012 121 HB2 PRO 16 HB2 PRO 16 8.806 0.278 -0.794 122 HB3 PRO 16 HB1 PRO 16 10.491 0.779 -0.996 123 HG2 PRO 16 HG2 PRO 16 9.674 -1.268 0.636 124 HG3 PRO 16 HG1 PRO 16 11.187 -0.363 0.832 125 HD2 PRO 16 HD2 PRO 16 8.586 -0.021 2.274 126 HD3 PRO 16 HD1 PRO 16 10.247 0.026 2.911 127 HA PRO 17 HA PRO 17 5.601 3.661 -0.632 128 HB2 PRO 17 HB2 PRO 17 5.306 2.744 -3.378 129 HB3 PRO 17 HB1 PRO 17 5.449 4.406 -2.780 130 HG2 PRO 17 HG2 PRO 17 7.388 3.246 -4.265 131 HG3 PRO 17 HG1 PRO 17 7.742 4.448 -3.005 132 HD2 PRO 17 HD2 PRO 17 7.889 1.454 -2.846 133 HD3 PRO 17 HD1 PRO 17 9.077 2.666 -2.311 134 H ILE 18 HN ILE 18 3.691 2.811 -0.130 135 HA ILE 18 HA ILE 18 3.080 0.047 -0.928 136 HB ILE 18 HB ILE 18 2.665 1.226 1.835 137 HG12 ILE 18 HG12 ILE 18 4.959 0.505 1.544 138 HG13 ILE 18 HG11 ILE 18 4.138 -0.623 2.610 139 HG21 ILE 18 HG21 ILE 18 1.789 -1.487 0.837 140 HG22 ILE 18 HG22 ILE 18 0.738 -0.146 1.287 141 HG23 ILE 18 HG23 ILE 18 1.723 -0.943 2.513 142 HD11 ILE 18 HD11 ILE 18 3.865 -2.130 0.590 143 HD12 ILE 18 HD12 ILE 18 5.508 -1.916 1.193 144 HD13 ILE 18 HD13 ILE 18 4.979 -1.049 -0.248 Start of MODEL 17 1 H CYS 1 HN CYS 1 1.049 -0.777 -1.159 2 HA CYS 1 HA CYS 1 -1.219 0.984 -1.647 3 HB2 CYS 1 HB2 CYS 1 0.447 -0.220 -3.838 4 HB3 CYS 1 HB1 CYS 1 -1.276 0.037 -4.083 5 H LYS 2 HN LYS 2 -3.156 -0.106 -2.162 6 HA LYS 2 HA LYS 2 -4.745 -1.703 -1.974 7 HB2 LYS 2 HB2 LYS 2 -2.489 -3.560 -2.754 8 HB3 LYS 2 HB1 LYS 2 -4.169 -4.058 -2.617 9 HG2 LYS 2 HG2 LYS 2 -4.767 -2.421 -4.363 10 HG3 LYS 2 HG1 LYS 2 -3.058 -2.015 -4.531 11 HD2 LYS 2 HD2 LYS 2 -2.569 -4.326 -5.165 12 HD3 LYS 2 HD1 LYS 2 -4.274 -4.742 -4.982 13 HE2 LYS 2 HE2 LYS 2 -4.845 -3.153 -6.757 14 HE3 LYS 2 HE1 LYS 2 -3.141 -2.742 -6.937 15 HZ1 LYS 2 HZ1 LYS 2 -4.328 -5.425 -7.404 16 HZ2 LYS 2 HZ2 LYS 2 -2.695 -5.026 -7.584 17 HZ3 LYS 2 HZ3 LYS 2 -3.850 -4.335 -8.607 18 H ARG 3 HN ARG 3 -5.660 -2.183 -0.143 19 HA ARG 3 HA ARG 3 -4.166 -3.700 1.892 20 HB2 ARG 3 HB2 ARG 3 -5.872 -1.239 2.294 21 HB3 ARG 3 HB1 ARG 3 -5.456 -2.322 3.611 22 HG2 ARG 3 HG2 ARG 3 -3.266 -1.190 1.938 23 HG3 ARG 3 HG1 ARG 3 -4.045 -0.163 3.143 24 HD2 ARG 3 HD2 ARG 3 -3.531 -1.826 4.875 25 HD3 ARG 3 HD1 ARG 3 -2.736 -2.833 3.666 26 HE ARG 3 HE ARG 3 -1.497 -0.376 3.525 27 HH11 ARG 3 HH11 ARG 3 -1.925 -2.816 6.017 28 HH12 ARG 3 HH12 ARG 3 -0.444 -2.419 6.821 29 HH21 ARG 3 HH21 ARG 3 0.437 0.126 4.595 30 HH22 ARG 3 HH22 ARG 3 0.892 -0.754 6.016 31 HA PRO 4 HA PRO 4 -7.451 -6.678 2.178 32 HB2 PRO 4 HB2 PRO 4 -7.983 -6.244 4.996 33 HB3 PRO 4 HB1 PRO 4 -7.211 -7.626 4.208 34 HG2 PRO 4 HG2 PRO 4 -5.980 -5.444 5.641 35 HG3 PRO 4 HG1 PRO 4 -5.256 -6.942 5.041 36 HD2 PRO 4 HD2 PRO 4 -4.730 -4.437 4.027 37 HD3 PRO 4 HD1 PRO 4 -4.476 -5.956 3.154 38 HA PRO 5 HA PRO 5 -11.229 -4.123 3.691 39 HB2 PRO 5 HB2 PRO 5 -10.456 -1.466 4.555 40 HB3 PRO 5 HB1 PRO 5 -11.225 -2.749 5.504 41 HG2 PRO 5 HG2 PRO 5 -8.702 -1.875 5.967 42 HG3 PRO 5 HG1 PRO 5 -9.247 -3.526 6.319 43 HD2 PRO 5 HD2 PRO 5 -7.704 -2.519 3.957 44 HD3 PRO 5 HD1 PRO 5 -7.446 -3.983 4.926 45 H GLY 6 HN GLY 6 -12.500 -3.292 2.142 46 HA2 GLY 6 HA2 GLY 6 -11.254 -1.595 0.087 47 HA3 GLY 6 HA1 GLY 6 -12.694 -2.578 -0.130 48 H PHE 7 HN PHE 7 -11.844 -0.180 2.359 49 HA PHE 7 HA PHE 7 -14.028 1.543 1.430 50 HB2 PHE 7 HB2 PHE 7 -13.657 0.539 4.253 51 HB3 PHE 7 HB1 PHE 7 -14.666 1.922 3.851 52 HD1 PHE 7 HD1 PHE 7 -16.770 1.631 2.689 53 HD2 PHE 7 HD2 PHE 7 -14.326 -1.709 3.675 54 HE1 PHE 7 HE1 PHE 7 -18.662 0.120 2.247 55 HE2 PHE 7 HE2 PHE 7 -16.213 -3.226 3.232 56 HZ PHE 7 HZ PHE 7 -18.384 -2.310 2.516 57 H SER 8 HN SER 8 -10.958 1.166 2.951 58 HA SER 8 HA SER 8 -10.558 4.086 2.905 59 HB2 SER 8 HB2 SER 8 -9.657 2.198 5.096 60 HB3 SER 8 HB1 SER 8 -9.234 3.907 4.988 61 HG SER 8 HG SER 8 -11.150 4.420 5.702 62 HA PRO 9 HA PRO 9 -6.878 1.605 1.065 63 HB2 PRO 9 HB2 PRO 9 -7.750 1.983 -1.678 64 HB3 PRO 9 HB1 PRO 9 -7.465 0.462 -0.814 65 HG2 PRO 9 HG2 PRO 9 -9.922 1.255 -1.619 66 HG3 PRO 9 HG1 PRO 9 -9.644 0.243 -0.186 67 HD2 PRO 9 HD2 PRO 9 -10.132 3.194 -0.339 68 HD3 PRO 9 HD1 PRO 9 -10.833 1.993 0.768 69 H LEU 10 HN LEU 10 -5.171 2.887 1.052 70 HA LEU 10 HA LEU 10 -5.129 5.271 -0.663 71 HB2 LEU 10 HB2 LEU 10 -4.411 5.152 2.263 72 HB3 LEU 10 HB1 LEU 10 -3.830 6.424 1.207 73 HG LEU 10 HG LEU 10 -6.445 6.659 0.703 74 HD11 LEU 10 HD11 LEU 10 -6.328 5.628 3.534 75 HD12 LEU 10 HD12 LEU 10 -7.106 4.829 2.169 76 HD13 LEU 10 HD13 LEU 10 -7.729 6.369 2.762 77 HD21 LEU 10 HD21 LEU 10 -5.016 7.801 3.100 78 HD22 LEU 10 HD22 LEU 10 -6.490 8.449 2.381 79 HD23 LEU 10 HD23 LEU 10 -4.986 8.446 1.458 80 H CYS 11 HN CYS 11 -2.924 6.073 -1.088 81 HA CYS 11 HA CYS 11 -0.858 4.001 -0.802 82 HB2 CYS 11 HB2 CYS 11 -1.698 5.454 -3.301 83 HB3 CYS 11 HB1 CYS 11 -0.085 4.769 -3.142 84 H THR 12 HN THR 12 0.658 4.820 0.446 85 HA THR 12 HA THR 12 1.380 7.649 0.241 86 HB THR 12 HB THR 12 2.662 6.978 2.424 87 HG1 THR 12 HG1 THR 12 0.553 5.192 2.821 88 HG21 THR 12 HG21 THR 12 0.663 7.540 3.763 89 HG22 THR 12 HG22 THR 12 -0.354 7.246 2.353 90 HG23 THR 12 HG23 THR 12 0.801 8.580 2.345 91 H LYS 13 HN LYS 13 3.679 8.191 0.438 92 HA LYS 13 HA LYS 13 5.444 6.118 -0.673 93 HB2 LYS 13 HB2 LYS 13 5.360 9.051 -1.397 94 HB3 LYS 13 HB1 LYS 13 6.650 7.960 -1.876 95 HG2 LYS 13 HG2 LYS 13 5.136 6.660 -3.206 96 HG3 LYS 13 HG1 LYS 13 3.754 7.589 -2.618 97 HD2 LYS 13 HD2 LYS 13 4.675 9.604 -3.670 98 HD3 LYS 13 HD1 LYS 13 6.047 8.665 -4.261 99 HE2 LYS 13 HE2 LYS 13 4.522 7.263 -5.564 100 HE3 LYS 13 HE1 LYS 13 3.152 8.200 -4.971 101 HZ1 LYS 13 HZ1 LYS 13 4.073 10.158 -6.049 102 HZ2 LYS 13 HZ2 LYS 13 3.822 8.920 -7.173 103 HZ3 LYS 13 HZ3 LYS 13 5.384 9.254 -6.622 104 H SER 14 HN SER 14 5.809 5.762 1.636 105 HA SER 14 HA SER 14 7.356 7.736 3.068 106 HB2 SER 14 HB2 SER 14 6.596 4.909 3.827 107 HB3 SER 14 HB1 SER 14 7.389 6.068 4.895 108 HG SER 14 HG SER 14 5.523 7.434 4.555 109 H ILE 15 HN ILE 15 8.224 4.333 3.063 110 HA ILE 15 HA ILE 15 10.458 4.467 1.369 111 HB ILE 15 HB ILE 15 11.452 5.962 2.999 112 HG12 ILE 15 HG12 ILE 15 13.475 4.477 3.731 113 HG13 ILE 15 HG11 ILE 15 12.675 3.229 2.783 114 HG21 ILE 15 HG21 ILE 15 11.992 5.291 5.293 115 HG22 ILE 15 HG22 ILE 15 11.072 3.804 5.065 116 HG23 ILE 15 HG23 ILE 15 10.253 5.365 5.004 117 HD11 ILE 15 HD11 ILE 15 14.375 4.373 1.483 118 HD12 ILE 15 HD12 ILE 15 13.572 5.917 1.766 119 HD13 ILE 15 HD13 ILE 15 12.770 4.669 0.812 120 HA PRO 16 HA PRO 16 9.726 3.333 -0.034 121 HB2 PRO 16 HB2 PRO 16 8.721 1.005 -1.285 122 HB3 PRO 16 HB1 PRO 16 10.396 1.577 -1.335 123 HG2 PRO 16 HG2 PRO 16 9.494 -0.783 -0.133 124 HG3 PRO 16 HG1 PRO 16 11.085 -0.030 0.083 125 HD2 PRO 16 HD2 PRO 16 8.678 0.111 1.838 126 HD3 PRO 16 HD1 PRO 16 10.400 0.070 2.276 127 HA PRO 17 HA PRO 17 5.227 3.910 -0.143 128 HB2 PRO 17 HB2 PRO 17 4.752 3.035 -2.912 129 HB3 PRO 17 HB1 PRO 17 4.618 4.659 -2.216 130 HG2 PRO 17 HG2 PRO 17 6.579 4.076 -3.930 131 HG3 PRO 17 HG1 PRO 17 6.871 5.136 -2.532 132 HD2 PRO 17 HD2 PRO 17 7.468 2.208 -2.823 133 HD3 PRO 17 HD1 PRO 17 8.530 3.514 -2.248 134 H ILE 18 HN ILE 18 3.115 2.984 -0.152 135 HA ILE 18 HA ILE 18 3.003 0.062 -0.489 136 HB ILE 18 HB ILE 18 1.903 1.623 1.868 137 HG12 ILE 18 HG12 ILE 18 4.281 1.232 2.128 138 HG13 ILE 18 HG11 ILE 18 3.406 0.192 3.240 139 HG21 ILE 18 HG21 ILE 18 1.127 -0.519 2.791 140 HG22 ILE 18 HG22 ILE 18 1.588 -1.323 1.291 141 HG23 ILE 18 HG23 ILE 18 0.310 -0.108 1.282 142 HD11 ILE 18 HD11 ILE 18 3.724 -1.663 1.540 143 HD12 ILE 18 HD12 ILE 18 5.174 -1.099 2.369 144 HD13 ILE 18 HD13 ILE 18 4.849 -0.582 0.716 Start of MODEL 18 1 H CYS 1 HN CYS 1 1.450 -0.564 -0.169 2 HA CYS 1 HA CYS 1 -0.447 1.311 -1.340 3 HB2 CYS 1 HB2 CYS 1 1.035 1.016 -3.216 4 HB3 CYS 1 HB1 CYS 1 1.086 -0.726 -2.975 5 H LYS 2 HN LYS 2 -2.500 0.505 -1.498 6 HA LYS 2 HA LYS 2 -4.325 -0.745 -1.030 7 HB2 LYS 2 HB2 LYS 2 -2.452 -2.977 -1.809 8 HB3 LYS 2 HB1 LYS 2 -4.136 -3.262 -1.394 9 HG2 LYS 2 HG2 LYS 2 -4.831 -1.780 -3.218 10 HG3 LYS 2 HG1 LYS 2 -3.137 -1.522 -3.641 11 HD2 LYS 2 HD2 LYS 2 -2.885 -3.914 -4.096 12 HD3 LYS 2 HD1 LYS 2 -4.574 -4.177 -3.661 13 HE2 LYS 2 HE2 LYS 2 -3.723 -2.313 -5.866 14 HE3 LYS 2 HE1 LYS 2 -4.057 -4.021 -6.137 15 HZ1 LYS 2 HZ1 LYS 2 -5.981 -2.038 -5.044 16 HZ2 LYS 2 HZ2 LYS 2 -6.303 -3.676 -5.308 17 HZ3 LYS 2 HZ3 LYS 2 -5.989 -2.656 -6.620 18 H ARG 3 HN ARG 3 -5.132 -0.780 0.918 19 HA ARG 3 HA ARG 3 -3.971 -2.540 2.946 20 HB2 ARG 3 HB2 ARG 3 -4.155 0.397 3.099 21 HB3 ARG 3 HB1 ARG 3 -4.769 -0.448 4.513 22 HG2 ARG 3 HG2 ARG 3 -2.104 -1.213 3.424 23 HG3 ARG 3 HG1 ARG 3 -2.256 0.279 4.353 24 HD2 ARG 3 HD2 ARG 3 -3.233 -0.992 6.213 25 HD3 ARG 3 HD1 ARG 3 -3.056 -2.479 5.284 26 HE ARG 3 HE ARG 3 -0.546 -1.318 5.407 27 HH11 ARG 3 HH11 ARG 3 -2.852 -2.634 7.706 28 HH12 ARG 3 HH12 ARG 3 -1.627 -3.110 8.836 29 HH21 ARG 3 HH21 ARG 3 1.038 -1.950 6.899 30 HH22 ARG 3 HH22 ARG 3 0.572 -2.721 8.379 31 HA PRO 4 HA PRO 4 -8.627 -1.884 4.042 32 HB2 PRO 4 HB2 PRO 4 -9.931 -0.355 1.940 33 HB3 PRO 4 HB1 PRO 4 -9.799 0.032 3.664 34 HG2 PRO 4 HG2 PRO 4 -8.565 1.474 1.743 35 HG3 PRO 4 HG1 PRO 4 -7.917 1.285 3.385 36 HD2 PRO 4 HD2 PRO 4 -7.146 -0.171 0.882 37 HD3 PRO 4 HD1 PRO 4 -6.109 0.530 2.141 38 HA PRO 5 HA PRO 5 -10.215 -5.211 1.536 39 HB2 PRO 5 HB2 PRO 5 -12.951 -4.949 1.807 40 HB3 PRO 5 HB1 PRO 5 -11.889 -5.696 3.015 41 HG2 PRO 5 HG2 PRO 5 -13.018 -2.945 2.946 42 HG3 PRO 5 HG1 PRO 5 -12.803 -4.045 4.321 43 HD2 PRO 5 HD2 PRO 5 -11.127 -1.996 3.886 44 HD3 PRO 5 HD1 PRO 5 -10.562 -3.545 4.546 45 H GLY 6 HN GLY 6 -11.292 -1.998 0.813 46 HA2 GLY 6 HA2 GLY 6 -10.986 -1.629 -1.713 47 HA3 GLY 6 HA1 GLY 6 -12.239 -2.851 -1.846 48 H PHE 7 HN PHE 7 -11.793 0.060 0.177 49 HA PHE 7 HA PHE 7 -14.226 1.206 -0.962 50 HB2 PHE 7 HB2 PHE 7 -13.783 0.618 1.951 51 HB3 PHE 7 HB1 PHE 7 -14.861 1.912 1.441 52 HD1 PHE 7 HD1 PHE 7 -14.334 -1.712 1.513 53 HD2 PHE 7 HD2 PHE 7 -16.974 1.433 0.402 54 HE1 PHE 7 HE1 PHE 7 -16.151 -3.345 1.227 55 HE2 PHE 7 HE2 PHE 7 -18.797 -0.194 0.114 56 HZ PHE 7 HZ PHE 7 -18.387 -2.586 0.525 57 H SER 8 HN SER 8 -11.383 1.641 1.025 58 HA SER 8 HA SER 8 -11.173 4.434 0.114 59 HB2 SER 8 HB2 SER 8 -12.082 4.351 2.441 60 HB3 SER 8 HB1 SER 8 -10.611 3.523 2.950 61 HG SER 8 HG SER 8 -10.520 6.013 1.621 62 HA PRO 9 HA PRO 9 -7.041 1.982 0.054 63 HB2 PRO 9 HB2 PRO 9 -7.234 1.376 -2.776 64 HB3 PRO 9 HB1 PRO 9 -7.102 0.249 -1.416 65 HG2 PRO 9 HG2 PRO 9 -9.320 0.442 -2.946 66 HG3 PRO 9 HG1 PRO 9 -9.357 -0.019 -1.232 67 HD2 PRO 9 HD2 PRO 9 -9.906 2.651 -2.476 68 HD3 PRO 9 HD1 PRO 9 -10.816 1.789 -1.214 69 H LEU 10 HN LEU 10 -5.285 3.159 -0.191 70 HA LEU 10 HA LEU 10 -5.060 5.041 -2.438 71 HB2 LEU 10 HB2 LEU 10 -4.525 5.608 0.477 72 HB3 LEU 10 HB1 LEU 10 -3.871 6.597 -0.811 73 HG LEU 10 HG LEU 10 -6.450 6.707 -1.506 74 HD11 LEU 10 HD11 LEU 10 -7.211 5.270 0.310 75 HD12 LEU 10 HD12 LEU 10 -7.851 6.903 0.484 76 HD13 LEU 10 HD13 LEU 10 -6.505 6.373 1.491 77 HD21 LEU 10 HD21 LEU 10 -5.141 8.379 0.634 78 HD22 LEU 10 HD22 LEU 10 -6.564 8.840 -0.300 79 HD23 LEU 10 HD23 LEU 10 -5.013 8.621 -1.109 80 H CYS 11 HN CYS 11 -3.109 5.054 -3.422 81 HA CYS 11 HA CYS 11 -0.890 3.620 -2.124 82 HB2 CYS 11 HB2 CYS 11 -1.785 3.342 -4.996 83 HB3 CYS 11 HB1 CYS 11 -0.291 2.674 -4.346 84 H THR 12 HN THR 12 1.159 4.341 -2.532 85 HA THR 12 HA THR 12 1.377 6.990 -3.715 86 HB THR 12 HB THR 12 3.692 6.831 -2.554 87 HG1 THR 12 HG1 THR 12 2.435 5.089 -0.766 88 HG21 THR 12 HG21 THR 12 1.148 6.973 -0.917 89 HG22 THR 12 HG22 THR 12 1.892 8.317 -1.782 90 HG23 THR 12 HG23 THR 12 2.723 7.585 -0.410 91 H LYS 13 HN LYS 13 3.488 4.165 -3.446 92 HA LYS 13 HA LYS 13 3.945 4.074 -6.313 93 HB2 LYS 13 HB2 LYS 13 6.110 4.796 -4.347 94 HB3 LYS 13 HB1 LYS 13 6.495 3.998 -5.863 95 HG2 LYS 13 HG2 LYS 13 5.490 5.841 -7.100 96 HG3 LYS 13 HG1 LYS 13 5.072 6.638 -5.583 97 HD2 LYS 13 HD2 LYS 13 7.453 6.774 -5.008 98 HD3 LYS 13 HD1 LYS 13 7.864 5.990 -6.534 99 HE2 LYS 13 HE2 LYS 13 6.306 8.561 -6.384 100 HE3 LYS 13 HE1 LYS 13 8.066 8.517 -6.471 101 HZ1 LYS 13 HZ1 LYS 13 6.210 7.362 -8.485 102 HZ2 LYS 13 HZ2 LYS 13 7.898 7.339 -8.573 103 HZ3 LYS 13 HZ3 LYS 13 7.069 8.811 -8.654 104 H SER 14 HN SER 14 3.405 2.542 -3.478 105 HA SER 14 HA SER 14 3.236 0.382 -2.842 106 HB2 SER 14 HB2 SER 14 4.392 -0.387 -5.527 107 HB3 SER 14 HB1 SER 14 3.584 -1.469 -4.394 108 HG SER 14 HG SER 14 1.706 -0.728 -5.020 109 H ILE 15 HN ILE 15 6.293 1.037 -4.444 110 HA ILE 15 HA ILE 15 7.756 0.169 -2.094 111 HB ILE 15 HB ILE 15 7.518 -1.927 -3.392 112 HG12 ILE 15 HG12 ILE 15 10.083 -2.339 -3.761 113 HG13 ILE 15 HG11 ILE 15 10.249 -0.749 -3.029 114 HG21 ILE 15 HG21 ILE 15 9.009 -0.513 -5.595 115 HG22 ILE 15 HG22 ILE 15 7.336 -1.071 -5.642 116 HG23 ILE 15 HG23 ILE 15 8.653 -2.241 -5.544 117 HD11 ILE 15 HD11 ILE 15 9.026 -3.209 -1.806 118 HD12 ILE 15 HD12 ILE 15 8.945 -1.605 -1.078 119 HD13 ILE 15 HD13 ILE 15 10.509 -2.384 -1.323 120 HA PRO 16 HA PRO 16 9.996 0.455 -1.158 121 HB2 PRO 16 HB2 PRO 16 10.494 3.224 -0.219 122 HB3 PRO 16 HB1 PRO 16 11.509 1.777 -0.073 123 HG2 PRO 16 HG2 PRO 16 12.167 3.678 -1.768 124 HG3 PRO 16 HG1 PRO 16 12.338 1.968 -2.220 125 HD2 PRO 16 HD2 PRO 16 10.188 3.908 -2.985 126 HD3 PRO 16 HD1 PRO 16 11.050 2.729 -3.995 127 HA PRO 17 HA PRO 17 6.712 3.305 1.290 128 HB2 PRO 17 HB2 PRO 17 4.662 4.153 -0.378 129 HB3 PRO 17 HB1 PRO 17 6.005 5.171 0.174 130 HG2 PRO 17 HG2 PRO 17 5.708 3.686 -2.409 131 HG3 PRO 17 HG1 PRO 17 6.295 5.341 -2.123 132 HD2 PRO 17 HD2 PRO 17 8.009 3.379 -2.574 133 HD3 PRO 17 HD1 PRO 17 8.360 4.612 -1.345 134 H ILE 18 HN ILE 18 3.847 3.099 0.624 135 HA ILE 18 HA ILE 18 3.523 0.175 0.473 136 HB ILE 18 HB ILE 18 2.182 2.029 2.465 137 HG12 ILE 18 HG12 ILE 18 4.470 1.572 3.137 138 HG13 ILE 18 HG11 ILE 18 3.371 0.713 4.202 139 HG21 ILE 18 HG21 ILE 18 0.608 0.301 1.817 140 HG22 ILE 18 HG22 ILE 18 1.158 0.034 3.471 141 HG23 ILE 18 HG23 ILE 18 1.802 -0.952 2.157 142 HD11 ILE 18 HD11 ILE 18 3.830 -1.352 2.822 143 HD12 ILE 18 HD12 ILE 18 5.190 -0.737 3.761 144 HD13 ILE 18 HD13 ILE 18 5.109 -0.432 2.026 Start of MODEL 19 1 H CYS 1 HN CYS 1 1.370 -0.629 -1.214 2 HA CYS 1 HA CYS 1 -0.771 1.274 -1.725 3 HB2 CYS 1 HB2 CYS 1 0.919 0.083 -3.881 4 HB3 CYS 1 HB1 CYS 1 -0.806 0.260 -4.181 5 H LYS 2 HN LYS 2 -2.766 0.306 -2.294 6 HA LYS 2 HA LYS 2 -4.451 -1.198 -2.146 7 HB2 LYS 2 HB2 LYS 2 -2.286 -3.181 -2.869 8 HB3 LYS 2 HB1 LYS 2 -3.992 -3.592 -2.755 9 HG2 LYS 2 HG2 LYS 2 -4.482 -1.953 -4.527 10 HG3 LYS 2 HG1 LYS 2 -2.756 -1.612 -4.662 11 HD2 LYS 2 HD2 LYS 2 -2.341 -3.947 -5.273 12 HD3 LYS 2 HD1 LYS 2 -4.065 -4.295 -5.125 13 HE2 LYS 2 HE2 LYS 2 -3.662 -4.000 -7.431 14 HE3 LYS 2 HE1 LYS 2 -4.440 -2.514 -6.886 15 HZ1 LYS 2 HZ1 LYS 2 -2.568 -2.051 -8.338 16 HZ2 LYS 2 HZ2 LYS 2 -1.520 -2.886 -7.306 17 HZ3 LYS 2 HZ3 LYS 2 -2.263 -1.461 -6.782 18 H ARG 3 HN ARG 3 -5.449 -1.654 -0.341 19 HA ARG 3 HA ARG 3 -4.073 -3.219 1.733 20 HB2 ARG 3 HB2 ARG 3 -5.624 -0.654 2.076 21 HB3 ARG 3 HB1 ARG 3 -5.344 -1.758 3.414 22 HG2 ARG 3 HG2 ARG 3 -2.932 -1.498 3.129 23 HG3 ARG 3 HG1 ARG 3 -3.210 -0.395 1.781 24 HD2 ARG 3 HD2 ARG 3 -4.393 1.135 3.286 25 HD3 ARG 3 HD1 ARG 3 -4.102 0.032 4.631 26 HE ARG 3 HE ARG 3 -1.636 0.653 3.487 27 HH11 ARG 3 HH11 ARG 3 -4.168 2.319 5.261 28 HH12 ARG 3 HH12 ARG 3 -3.081 3.480 5.947 29 HH21 ARG 3 HH21 ARG 3 -0.232 2.183 4.396 30 HH22 ARG 3 HH22 ARG 3 -0.855 3.402 5.457 31 HA PRO 4 HA PRO 4 -7.777 -5.720 1.938 32 HB2 PRO 4 HB2 PRO 4 -7.786 -5.616 4.897 33 HB3 PRO 4 HB1 PRO 4 -7.583 -7.012 3.823 34 HG2 PRO 4 HG2 PRO 4 -5.544 -6.069 5.230 35 HG3 PRO 4 HG1 PRO 4 -5.324 -6.681 3.577 36 HD2 PRO 4 HD2 PRO 4 -5.499 -3.847 4.526 37 HD3 PRO 4 HD1 PRO 4 -4.391 -4.575 3.346 38 HA PRO 5 HA PRO 5 -11.481 -3.273 2.564 39 HB2 PRO 5 HB2 PRO 5 -12.775 -5.514 4.026 40 HB3 PRO 5 HB1 PRO 5 -13.296 -4.681 2.550 41 HG2 PRO 5 HG2 PRO 5 -12.330 -7.135 2.429 42 HG3 PRO 5 HG1 PRO 5 -11.925 -5.932 1.187 43 HD2 PRO 5 HD2 PRO 5 -10.268 -6.899 3.482 44 HD3 PRO 5 HD1 PRO 5 -9.789 -6.558 1.807 45 H GLY 6 HN GLY 6 -12.695 -2.088 4.076 46 HA2 GLY 6 HA2 GLY 6 -13.416 -1.813 6.422 47 HA3 GLY 6 HA1 GLY 6 -11.813 -2.360 6.886 48 H PHE 7 HN PHE 7 -10.668 -0.730 4.609 49 HA PHE 7 HA PHE 7 -10.990 1.968 5.742 50 HB2 PHE 7 HB2 PHE 7 -8.409 0.523 5.114 51 HB3 PHE 7 HB1 PHE 7 -8.497 2.265 5.346 52 HD1 PHE 7 HD1 PHE 7 -8.678 -1.003 6.970 53 HD2 PHE 7 HD2 PHE 7 -8.898 3.210 7.538 54 HE1 PHE 7 HE1 PHE 7 -8.440 -1.321 9.398 55 HE2 PHE 7 HE2 PHE 7 -8.660 2.898 9.966 56 HZ PHE 7 HZ PHE 7 -8.431 0.630 10.900 57 H SER 8 HN SER 8 -10.064 3.682 4.257 58 HA SER 8 HA SER 8 -11.139 3.298 1.626 59 HB2 SER 8 HB2 SER 8 -9.895 5.638 3.077 60 HB3 SER 8 HB1 SER 8 -10.339 5.749 1.374 61 HG SER 8 HG SER 8 -12.234 6.234 2.144 62 HA PRO 9 HA PRO 9 -7.224 2.558 -0.477 63 HB2 PRO 9 HB2 PRO 9 -7.626 4.307 -2.753 64 HB3 PRO 9 HB1 PRO 9 -7.854 2.552 -2.663 65 HG2 PRO 9 HG2 PRO 9 -9.905 4.275 -3.023 66 HG3 PRO 9 HG1 PRO 9 -10.079 2.722 -2.180 67 HD2 PRO 9 HD2 PRO 9 -9.708 5.464 -1.020 68 HD3 PRO 9 HD1 PRO 9 -10.882 4.205 -0.569 69 H LEU 10 HN LEU 10 -5.359 3.229 0.323 70 HA LEU 10 HA LEU 10 -4.408 5.936 -0.290 71 HB2 LEU 10 HB2 LEU 10 -4.317 4.618 2.427 72 HB3 LEU 10 HB1 LEU 10 -3.371 6.030 2.001 73 HG LEU 10 HG LEU 10 -5.796 6.975 1.377 74 HD11 LEU 10 HD11 LEU 10 -6.312 5.011 3.607 75 HD12 LEU 10 HD12 LEU 10 -6.970 4.924 1.973 76 HD13 LEU 10 HD13 LEU 10 -7.433 6.249 3.038 77 HD21 LEU 10 HD21 LEU 10 -4.214 8.029 2.884 78 HD22 LEU 10 HD22 LEU 10 -4.614 6.866 4.149 79 HD23 LEU 10 HD23 LEU 10 -5.828 8.020 3.596 80 H CYS 11 HN CYS 11 -2.149 6.141 -0.456 81 HA CYS 11 HA CYS 11 -0.623 3.630 -0.415 82 HB2 CYS 11 HB2 CYS 11 -0.844 5.627 -2.649 83 HB3 CYS 11 HB1 CYS 11 0.608 4.650 -2.472 84 H THR 12 HN THR 12 0.088 4.409 1.664 85 HA THR 12 HA THR 12 2.491 6.004 1.437 86 HB THR 12 HB THR 12 0.998 7.768 1.928 87 HG1 THR 12 HG1 THR 12 2.043 7.184 4.489 88 HG21 THR 12 HG21 THR 12 -0.054 6.155 4.269 89 HG22 THR 12 HG22 THR 12 -0.939 6.526 2.788 90 HG23 THR 12 HG23 THR 12 -0.500 7.822 3.901 91 H LYS 13 HN LYS 13 3.761 6.045 3.385 92 HA LYS 13 HA LYS 13 3.380 4.376 5.612 93 HB2 LYS 13 HB2 LYS 13 3.748 2.656 3.681 94 HB3 LYS 13 HB1 LYS 13 5.431 3.145 3.779 95 HG2 LYS 13 HG2 LYS 13 4.992 2.632 6.368 96 HG3 LYS 13 HG1 LYS 13 3.810 1.533 5.656 97 HD2 LYS 13 HD2 LYS 13 5.618 0.590 4.238 98 HD3 LYS 13 HD1 LYS 13 6.771 1.630 5.072 99 HE2 LYS 13 HE2 LYS 13 6.929 -0.474 6.124 100 HE3 LYS 13 HE1 LYS 13 5.997 0.542 7.221 101 HZ1 LYS 13 HZ1 LYS 13 3.970 -0.477 6.385 102 HZ2 LYS 13 HZ2 LYS 13 5.016 -1.652 7.005 103 HZ3 LYS 13 HZ3 LYS 13 4.866 -1.454 5.332 104 H SER 14 HN SER 14 6.470 4.370 3.990 105 HA SER 14 HA SER 14 7.453 6.812 5.091 106 HB2 SER 14 HB2 SER 14 7.508 5.315 7.113 107 HB3 SER 14 HB1 SER 14 8.622 4.262 6.241 108 HG SER 14 HG SER 14 9.031 6.847 7.256 109 H ILE 15 HN ILE 15 8.865 3.663 4.338 110 HA ILE 15 HA ILE 15 9.685 4.175 1.729 111 HB ILE 15 HB ILE 15 11.187 5.875 2.712 112 HG12 ILE 15 HG12 ILE 15 13.436 4.754 1.867 113 HG13 ILE 15 HG11 ILE 15 12.331 3.508 1.296 114 HG21 ILE 15 HG21 ILE 15 11.591 4.950 4.902 115 HG22 ILE 15 HG22 ILE 15 13.123 5.254 4.080 116 HG23 ILE 15 HG23 ILE 15 12.498 3.609 4.199 117 HD11 ILE 15 HD11 ILE 15 12.805 5.113 -0.452 118 HD12 ILE 15 HD12 ILE 15 12.240 6.430 0.575 119 HD13 ILE 15 HD13 ILE 15 11.108 5.199 0.017 120 HA PRO 16 HA PRO 16 10.276 3.011 0.023 121 HB2 PRO 16 HB2 PRO 16 9.089 0.475 -0.877 122 HB3 PRO 16 HB1 PRO 16 10.553 1.283 -1.461 123 HG2 PRO 16 HG2 PRO 16 10.654 -1.022 -0.104 124 HG3 PRO 16 HG1 PRO 16 11.915 0.221 0.039 125 HD2 PRO 16 HD2 PRO 16 9.621 -0.346 1.884 126 HD3 PRO 16 HD1 PRO 16 11.330 -0.047 2.274 127 HA PRO 17 HA PRO 17 5.825 3.792 0.118 128 HB2 PRO 17 HB2 PRO 17 5.196 3.220 -2.680 129 HB3 PRO 17 HB1 PRO 17 5.309 4.791 -1.864 130 HG2 PRO 17 HG2 PRO 17 7.108 4.041 -3.722 131 HG3 PRO 17 HG1 PRO 17 7.562 5.034 -2.318 132 HD2 PRO 17 HD2 PRO 17 7.860 2.071 -2.701 133 HD3 PRO 17 HD1 PRO 17 9.058 3.254 -2.126 134 H ILE 18 HN ILE 18 3.618 3.002 -0.056 135 HA ILE 18 HA ILE 18 3.382 0.101 -0.504 136 HB ILE 18 HB ILE 18 2.275 1.646 1.862 137 HG12 ILE 18 HG12 ILE 18 4.616 1.109 2.192 138 HG13 ILE 18 HG11 ILE 18 3.639 0.094 3.239 139 HG21 ILE 18 HG21 ILE 18 1.348 -0.475 2.691 140 HG22 ILE 18 HG22 ILE 18 1.818 -1.261 1.184 141 HG23 ILE 18 HG23 ILE 18 0.611 0.025 1.168 142 HD11 ILE 18 HD11 ILE 18 5.131 -0.700 0.750 143 HD12 ILE 18 HD12 ILE 18 3.917 -1.733 1.502 144 HD13 ILE 18 HD13 ILE 18 5.364 -1.277 2.402 Start of MODEL 20 1 H CYS 1 HN CYS 1 0.930 -0.739 -1.175 2 HA CYS 1 HA CYS 1 -0.982 1.414 -1.524 3 HB2 CYS 1 HB2 CYS 1 0.325 0.071 -3.805 4 HB3 CYS 1 HB1 CYS 1 -1.429 0.196 -3.906 5 H LYS 2 HN LYS 2 -3.147 0.720 -1.794 6 HA LYS 2 HA LYS 2 -4.985 -0.531 -1.387 7 HB2 LYS 2 HB2 LYS 2 -3.159 -2.827 -2.105 8 HB3 LYS 2 HB1 LYS 2 -4.856 -3.047 -1.704 9 HG2 LYS 2 HG2 LYS 2 -5.487 -1.612 -3.580 10 HG3 LYS 2 HG1 LYS 2 -3.783 -1.393 -3.982 11 HD2 LYS 2 HD2 LYS 2 -3.568 -3.806 -4.360 12 HD3 LYS 2 HD1 LYS 2 -5.274 -4.018 -3.966 13 HE2 LYS 2 HE2 LYS 2 -5.160 -3.997 -6.320 14 HE3 LYS 2 HE1 LYS 2 -5.770 -2.409 -5.859 15 HZ1 LYS 2 HZ1 LYS 2 -2.958 -3.037 -6.589 16 HZ2 LYS 2 HZ2 LYS 2 -3.542 -1.514 -6.145 17 HZ3 LYS 2 HZ3 LYS 2 -4.080 -2.240 -7.573 18 H ARG 3 HN ARG 3 -5.703 -0.411 0.587 19 HA ARG 3 HA ARG 3 -4.467 -2.060 2.686 20 HB2 ARG 3 HB2 ARG 3 -5.133 0.853 2.713 21 HB3 ARG 3 HB1 ARG 3 -5.310 -0.062 4.204 22 HG2 ARG 3 HG2 ARG 3 -2.942 -0.785 3.967 23 HG3 ARG 3 HG1 ARG 3 -2.802 0.301 2.582 24 HD2 ARG 3 HD2 ARG 3 -3.191 2.213 3.929 25 HD3 ARG 3 HD1 ARG 3 -3.699 1.227 5.301 26 HE ARG 3 HE ARG 3 -0.979 0.795 4.411 27 HH11 ARG 3 HH11 ARG 3 -3.052 2.567 6.624 28 HH12 ARG 3 HH12 ARG 3 -1.765 2.923 7.727 29 HH21 ARG 3 HH21 ARG 3 0.689 1.264 5.875 30 HH22 ARG 3 HH22 ARG 3 0.351 2.185 7.301 31 HA PRO 4 HA PRO 4 -8.530 -3.633 3.725 32 HB2 PRO 4 HB2 PRO 4 -8.162 -2.713 6.539 33 HB3 PRO 4 HB1 PRO 4 -8.540 -4.334 5.925 34 HG2 PRO 4 HG2 PRO 4 -6.131 -3.797 6.838 35 HG3 PRO 4 HG1 PRO 4 -6.345 -4.793 5.383 36 HD2 PRO 4 HD2 PRO 4 -5.521 -1.928 5.600 37 HD3 PRO 4 HD1 PRO 4 -4.920 -3.201 4.517 38 HA PRO 5 HA PRO 5 -11.594 -0.369 3.726 39 HB2 PRO 5 HB2 PRO 5 -13.240 -1.827 5.721 40 HB3 PRO 5 HB1 PRO 5 -13.654 -1.316 4.074 41 HG2 PRO 5 HG2 PRO 5 -13.223 -3.866 4.622 42 HG3 PRO 5 HG1 PRO 5 -12.658 -3.147 3.101 43 HD2 PRO 5 HD2 PRO 5 -11.097 -3.805 5.567 44 HD3 PRO 5 HD1 PRO 5 -10.663 -4.030 3.861 45 H GLY 6 HN GLY 6 -11.673 1.550 4.677 46 HA2 GLY 6 HA2 GLY 6 -11.700 1.756 7.603 47 HA3 GLY 6 HA1 GLY 6 -10.412 2.572 6.726 48 H PHE 7 HN PHE 7 -10.827 4.459 5.641 49 HA PHE 7 HA PHE 7 -13.573 5.489 5.715 50 HB2 PHE 7 HB2 PHE 7 -11.952 6.373 7.559 51 HB3 PHE 7 HB1 PHE 7 -11.253 7.315 6.249 52 HD1 PHE 7 HD1 PHE 7 -12.488 9.127 5.220 53 HD2 PHE 7 HD2 PHE 7 -14.168 6.848 8.399 54 HE1 PHE 7 HE1 PHE 7 -14.222 10.844 5.531 55 HE2 PHE 7 HE2 PHE 7 -15.906 8.562 8.713 56 HZ PHE 7 HZ PHE 7 -15.935 10.562 7.278 57 H SER 8 HN SER 8 -10.334 6.002 4.411 58 HA SER 8 HA SER 8 -11.485 6.520 1.783 59 HB2 SER 8 HB2 SER 8 -10.040 8.511 1.444 60 HB3 SER 8 HB1 SER 8 -11.125 8.743 2.814 61 HG SER 8 HG SER 8 -8.382 8.019 2.919 62 HA PRO 9 HA PRO 9 -7.865 4.102 0.557 63 HB2 PRO 9 HB2 PRO 9 -7.317 5.407 -1.956 64 HB3 PRO 9 HB1 PRO 9 -8.252 3.927 -1.680 65 HG2 PRO 9 HG2 PRO 9 -9.353 6.230 -2.610 66 HG3 PRO 9 HG1 PRO 9 -10.249 5.021 -1.667 67 HD2 PRO 9 HD2 PRO 9 -8.959 7.565 -0.733 68 HD3 PRO 9 HD1 PRO 9 -10.588 6.937 -0.380 69 H LEU 10 HN LEU 10 -5.737 4.012 0.965 70 HA LEU 10 HA LEU 10 -4.084 6.419 0.618 71 HB2 LEU 10 HB2 LEU 10 -4.221 4.697 3.096 72 HB3 LEU 10 HB1 LEU 10 -2.940 5.851 2.786 73 HG LEU 10 HG LEU 10 -5.007 7.518 2.551 74 HD11 LEU 10 HD11 LEU 10 -6.004 5.410 4.465 75 HD12 LEU 10 HD12 LEU 10 -6.707 5.804 2.895 76 HD13 LEU 10 HD13 LEU 10 -6.733 6.993 4.196 77 HD21 LEU 10 HD21 LEU 10 -3.142 7.797 4.078 78 HD22 LEU 10 HD22 LEU 10 -3.823 6.584 5.162 79 HD23 LEU 10 HD23 LEU 10 -4.666 8.113 4.907 80 H CYS 11 HN CYS 11 -1.873 6.035 0.252 81 HA CYS 11 HA CYS 11 -1.124 3.235 -0.217 82 HB2 CYS 11 HB2 CYS 11 -1.095 5.501 -2.144 83 HB3 CYS 11 HB1 CYS 11 0.262 4.383 -2.205 84 H THR 12 HN THR 12 -0.266 3.825 2.026 85 HA THR 12 HA THR 12 2.579 4.189 1.790 86 HB THR 12 HB THR 12 1.455 6.015 3.870 87 HG1 THR 12 HG1 THR 12 1.712 6.799 1.130 88 HG21 THR 12 HG21 THR 12 3.493 7.295 3.311 89 HG22 THR 12 HG22 THR 12 3.840 6.173 1.994 90 HG23 THR 12 HG23 THR 12 3.881 5.611 3.665 91 H LYS 13 HN LYS 13 3.732 3.500 3.612 92 HA LYS 13 HA LYS 13 2.207 2.329 5.818 93 HB2 LYS 13 HB2 LYS 13 2.932 0.662 3.925 94 HB3 LYS 13 HB1 LYS 13 4.520 0.811 4.657 95 HG2 LYS 13 HG2 LYS 13 3.616 0.020 6.786 96 HG3 LYS 13 HG1 LYS 13 2.015 -0.116 6.058 97 HD2 LYS 13 HD2 LYS 13 2.899 -1.758 4.456 98 HD3 LYS 13 HD1 LYS 13 4.484 -1.635 5.220 99 HE2 LYS 13 HE2 LYS 13 3.532 -2.442 7.325 100 HE3 LYS 13 HE1 LYS 13 1.947 -2.561 6.561 101 HZ1 LYS 13 HZ1 LYS 13 3.052 -4.705 6.641 102 HZ2 LYS 13 HZ2 LYS 13 4.366 -4.093 5.769 103 HZ3 LYS 13 HZ3 LYS 13 2.846 -4.207 5.038 104 H SER 14 HN SER 14 5.548 2.600 4.703 105 HA SER 14 HA SER 14 6.336 4.409 6.766 106 HB2 SER 14 HB2 SER 14 6.316 2.236 8.029 107 HB3 SER 14 HB1 SER 14 7.536 1.630 6.910 108 HG SER 14 HG SER 14 8.353 3.985 7.832 109 H ILE 15 HN ILE 15 8.045 1.846 5.048 110 HA ILE 15 HA ILE 15 8.994 3.316 2.881 111 HB ILE 15 HB ILE 15 10.259 4.627 4.561 112 HG12 ILE 15 HG12 ILE 15 12.652 4.034 3.581 113 HG13 ILE 15 HG11 ILE 15 11.701 3.032 2.491 114 HG21 ILE 15 HG21 ILE 15 11.674 2.055 5.234 115 HG22 ILE 15 HG22 ILE 15 10.604 2.978 6.289 116 HG23 ILE 15 HG23 ILE 15 12.151 3.661 5.786 117 HD11 ILE 15 HD11 ILE 15 11.413 6.002 2.889 118 HD12 ILE 15 HD12 ILE 15 10.413 5.012 1.826 119 HD13 ILE 15 HD13 ILE 15 12.138 5.192 1.502 120 HA PRO 16 HA PRO 16 9.953 2.898 0.939 121 HB2 PRO 16 HB2 PRO 16 9.049 0.787 -0.914 122 HB3 PRO 16 HB1 PRO 16 10.477 1.828 -1.026 123 HG2 PRO 16 HG2 PRO 16 10.695 -0.784 -0.547 124 HG3 PRO 16 HG1 PRO 16 11.794 0.399 0.195 125 HD2 PRO 16 HD2 PRO 16 9.387 -0.932 1.390 126 HD3 PRO 16 HD1 PRO 16 11.008 -0.708 2.086 127 HA PRO 17 HA PRO 17 5.489 3.578 0.642 128 HB2 PRO 17 HB2 PRO 17 5.246 3.573 -2.298 129 HB3 PRO 17 HB1 PRO 17 5.008 4.910 -1.154 130 HG2 PRO 17 HG2 PRO 17 7.119 4.885 -2.786 131 HG3 PRO 17 HG1 PRO 17 7.262 5.467 -1.112 132 HD2 PRO 17 HD2 PRO 17 7.990 2.782 -2.237 133 HD3 PRO 17 HD1 PRO 17 8.940 3.849 -1.178 134 H ILE 18 HN ILE 18 3.390 2.711 0.199 135 HA ILE 18 HA ILE 18 3.344 0.030 -0.993 136 HB ILE 18 HB ILE 18 3.389 0.467 1.717 137 HG12 ILE 18 HG12 ILE 18 3.928 -1.646 0.651 138 HG13 ILE 18 HG11 ILE 18 2.808 -1.907 1.974 139 HG21 ILE 18 HG21 ILE 18 1.208 1.399 1.915 140 HG22 ILE 18 HG22 ILE 18 1.190 -0.212 2.631 141 HG23 ILE 18 HG23 ILE 18 0.489 0.050 1.033 142 HD11 ILE 18 HD11 ILE 18 0.976 -2.113 0.300 143 HD12 ILE 18 HD12 ILE 18 2.226 -3.347 0.156 144 HD13 ILE 18 HD13 ILE 18 2.188 -1.995 -0.975
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