NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
553345 | 2lye | 18722 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -11.552 -2.467 1.114 2 HA2 GLY 1 2HA GLY 1 -11.554 -4.720 0.504 3 HA3 GLY 1 1HA GLY 1 -12.675 -4.344 -0.795 4 H VAL 2 H VAL 2 -10.610 -2.052 -1.378 5 HA VAL 2 HA VAL 2 -9.045 -3.665 -3.232 6 HB VAL 2 HB VAL 2 -9.398 -0.652 -3.057 7 HG11 VAL 2 1HG1 VAL 2 -8.148 -2.330 -5.230 8 HG12 VAL 2 2HG1 VAL 2 -7.289 -1.269 -4.114 9 HG13 VAL 2 3HG1 VAL 2 -8.404 -0.587 -5.298 10 HG21 VAL 2 3HG2 VAL 2 -10.670 -2.635 -4.944 11 HG22 VAL 2 1HG2 VAL 2 -10.833 -0.882 -5.036 12 HG23 VAL 2 2HG2 VAL 2 -11.490 -1.757 -3.650 13 H CYS 3 H CYS 3 -7.044 -4.191 -2.600 14 HA CYS 3 HA CYS 3 -5.766 -2.403 -0.685 15 HB2 CYS 3 2HB CYS 3 -5.167 -5.319 -1.208 16 HB3 CYS 3 1HB CYS 3 -4.327 -4.300 -0.050 17 H ARG 4 H ARG 4 -4.222 -1.232 -1.333 18 HA ARG 4 HA ARG 4 -2.812 -1.958 -3.818 19 HB2 ARG 4 2HB ARG 4 -2.154 0.418 -3.989 20 HB3 ARG 4 1HB ARG 4 -3.902 0.244 -3.968 21 HG2 ARG 4 2HG ARG 4 -4.037 1.046 -1.732 22 HG3 ARG 4 1HG ARG 4 -2.289 0.945 -1.523 23 HD2 ARG 4 2HD ARG 4 -2.969 3.255 -1.861 24 HD3 ARG 4 1HD ARG 4 -1.989 2.694 -3.210 25 HE ARG 4 HE ARG 4 -4.869 2.541 -3.509 26 HH11 ARG 4 1HH1 ARG 4 -1.884 4.348 -4.237 27 HH12 ARG 4 2HH1 ARG 4 -2.592 5.261 -5.483 28 HH21 ARG 4 1HH2 ARG 4 -5.814 3.824 -5.228 29 HH22 ARG 4 2HH2 ARG 4 -4.867 4.965 -6.063 30 H CYS 5 H CYS 5 -0.598 -2.224 -3.744 31 HA CYS 5 HA CYS 5 0.599 -1.687 -1.132 32 HB2 CYS 5 2HB CYS 5 1.374 -3.865 -3.019 33 HB3 CYS 5 1HB CYS 5 2.136 -3.510 -1.489 34 H VAL 6 H VAL 6 2.125 -0.474 -1.072 35 HA VAL 6 HA VAL 6 3.450 0.459 -3.530 36 HB VAL 6 HB VAL 6 3.384 1.760 -0.781 37 HG11 VAL 6 1HG1 VAL 6 5.394 2.343 -2.005 38 HG12 VAL 6 2HG1 VAL 6 4.319 3.739 -1.910 39 HG13 VAL 6 3HG1 VAL 6 4.434 2.808 -3.406 40 HG21 VAL 6 3HG2 VAL 6 1.867 2.512 -3.284 41 HG22 VAL 6 1HG2 VAL 6 1.887 3.435 -1.780 42 HG23 VAL 6 2HG2 VAL 6 1.172 1.820 -1.822 43 H CYS 7 H CYS 7 5.384 -0.446 -3.832 44 HA CYS 7 HA CYS 7 6.725 -1.444 -1.452 45 HB2 CYS 7 2HB CYS 7 7.141 -2.321 -4.309 46 HB3 CYS 7 1HB CYS 7 7.962 -2.932 -2.871 47 H ARG 8 H ARG 8 8.480 -0.713 -0.817 48 HA ARG 8 HA ARG 8 10.223 0.796 -2.581 49 HB2 ARG 8 2HB ARG 8 10.400 2.672 -0.997 50 HB3 ARG 8 1HB ARG 8 8.780 2.547 -1.661 51 HG2 ARG 8 2HG ARG 8 7.994 1.530 0.415 52 HG3 ARG 8 1HG ARG 8 9.648 1.546 1.036 53 HD2 ARG 8 2HD ARG 8 8.275 3.382 1.945 54 HD3 ARG 8 1HD ARG 8 9.671 3.957 1.043 55 HE ARG 8 HE ARG 8 7.937 4.179 -0.852 56 HH11 ARG 8 1HH1 ARG 8 7.194 4.770 2.569 57 HH12 ARG 8 2HH1 ARG 8 6.121 6.044 2.239 58 HH21 ARG 8 1HH2 ARG 8 6.439 5.905 -1.274 59 HH22 ARG 8 2HH2 ARG 8 5.700 6.718 0.014 60 H ARG 9 H ARG 9 12.197 0.088 -2.244 61 HA ARG 9 HA ARG 9 14.097 -0.624 -1.257 62 HB2 ARG 9 2HB ARG 9 13.767 1.322 0.193 63 HB3 ARG 9 1HB ARG 9 12.711 0.405 1.240 64 HG2 ARG 9 2HG ARG 9 14.915 0.745 2.246 65 HG3 ARG 9 1HG ARG 9 14.628 -0.968 1.932 66 HD2 ARG 9 2HD ARG 9 15.978 -0.842 -0.071 67 HD3 ARG 9 1HD ARG 9 16.223 0.887 0.173 68 HE ARG 9 HE ARG 9 17.017 -0.865 2.327 69 HH11 ARG 9 1HH1 ARG 9 18.059 0.905 -0.535 70 HH12 ARG 9 2HH1 ARG 9 19.688 1.046 -0.062 71 HH21 ARG 9 1HH2 ARG 9 19.238 -0.684 3.006 72 HH22 ARG 9 2HH2 ARG 9 20.373 0.129 2.022 73 H GLY 10 H GLY 10 11.827 -2.373 -1.653 74 HA2 GLY 10 2HA GLY 10 11.559 -4.689 -1.417 75 HA3 GLY 10 1HA GLY 10 12.734 -4.659 -0.114 76 H VAL 11 H VAL 11 10.747 -2.307 0.778 77 HA VAL 11 HA VAL 11 9.152 -4.065 2.475 78 HB VAL 11 HB VAL 11 9.613 -1.066 2.639 79 HG11 VAL 11 1HG1 VAL 11 7.528 -1.733 3.692 80 HG12 VAL 11 2HG1 VAL 11 8.705 -1.237 4.908 81 HG13 VAL 11 3HG1 VAL 11 8.378 -2.948 4.641 82 HG21 VAL 11 3HG2 VAL 11 11.690 -2.274 3.023 83 HG22 VAL 11 1HG2 VAL 11 10.900 -3.282 4.236 84 HG23 VAL 11 2HG2 VAL 11 11.109 -1.552 4.522 85 H CYS 12 H CYS 12 7.022 -4.312 1.978 86 HA CYS 12 HA CYS 12 5.937 -2.354 0.117 87 HB2 CYS 12 2HB CYS 12 5.061 -5.202 0.603 88 HB3 CYS 12 1HB CYS 12 4.252 -4.078 -0.488 89 H ARG 13 H ARG 13 4.555 -1.005 0.823 90 HA ARG 13 HA ARG 13 3.223 -1.465 3.384 91 HB2 ARG 13 2HB ARG 13 3.421 1.093 1.770 92 HB3 ARG 13 1HB ARG 13 2.875 0.932 3.433 93 HG2 ARG 13 2HG ARG 13 5.676 0.463 2.428 94 HG3 ARG 13 1HG ARG 13 5.111 1.857 3.348 95 HD2 ARG 13 2HD ARG 13 5.053 -0.990 4.348 96 HD3 ARG 13 1HD ARG 13 6.335 0.151 4.711 97 HE ARG 13 HE ARG 13 4.030 1.409 5.463 98 HH11 ARG 13 1HH1 ARG 13 5.564 -1.653 6.343 99 HH12 ARG 13 2HH1 ARG 13 4.988 -1.632 7.942 100 HH21 ARG 13 1HH2 ARG 13 3.275 1.445 7.611 101 HH22 ARG 13 2HH2 ARG 13 3.635 0.180 8.702 102 H CYS 14 H CYS 14 1.327 -2.369 3.126 103 HA CYS 14 HA CYS 14 -0.164 -1.764 0.710 104 HB2 CYS 14 2HB CYS 14 -0.607 -3.962 2.696 105 HB3 CYS 14 1HB CYS 14 -1.472 -3.733 1.190 106 H VAL 15 H VAL 15 -1.962 -0.862 0.714 107 HA VAL 15 HA VAL 15 -3.153 0.060 3.238 108 HB VAL 15 HB VAL 15 -3.003 1.571 0.606 109 HG11 VAL 15 1HG1 VAL 15 -5.029 2.058 1.867 110 HG12 VAL 15 2HG1 VAL 15 -3.939 3.445 1.828 111 HG13 VAL 15 3HG1 VAL 15 -4.050 2.456 3.285 112 HG21 VAL 15 3HG2 VAL 15 -1.508 3.139 1.774 113 HG22 VAL 15 1HG2 VAL 15 -0.814 1.519 1.688 114 HG23 VAL 15 2HG2 VAL 15 -1.528 2.093 3.194 115 H CYS 16 H CYS 16 -5.087 -0.896 3.416 116 HA CYS 16 HA CYS 16 -6.445 -1.607 0.972 117 HB2 CYS 16 2HB CYS 16 -6.980 -2.495 3.813 118 HB3 CYS 16 1HB CYS 16 -7.928 -2.974 2.406 119 H ARG 17 H ARG 17 -8.243 -0.780 0.337 120 HA ARG 17 HA ARG 17 -9.728 1.051 2.027 121 HB2 ARG 17 2HB ARG 17 -8.095 2.465 0.940 122 HB3 ARG 17 1HB ARG 17 -8.445 1.744 -0.618 123 HG2 ARG 17 2HG ARG 17 -9.423 3.937 -0.484 124 HG3 ARG 17 1HG ARG 17 -10.692 2.716 -0.544 125 HD2 ARG 17 2HD ARG 17 -10.973 2.919 1.894 126 HD3 ARG 17 1HD ARG 17 -9.710 4.154 1.928 127 HE ARG 17 HE ARG 17 -11.741 4.755 0.065 128 HH11 ARG 17 1HH1 ARG 17 -11.050 4.943 3.557 129 HH12 ARG 17 2HH1 ARG 17 -12.093 6.250 3.816 130 HH21 ARG 17 1HH2 ARG 17 -13.181 6.540 0.470 131 HH22 ARG 17 2HH2 ARG 17 -13.352 7.172 2.033 132 H ARG 18 H ARG 18 -11.633 0.117 1.951 133 HA ARG 18 HA ARG 18 -13.614 -0.665 1.266 134 HB2 ARG 18 2HB ARG 18 -13.544 1.543 0.048 135 HB3 ARG 18 1HB ARG 18 -12.969 0.683 -1.368 136 HG2 ARG 18 2HG ARG 18 -15.053 -0.624 -1.395 137 HG3 ARG 18 1HG ARG 18 -15.621 0.300 -0.005 138 HD2 ARG 18 2HD ARG 18 -15.525 2.343 -1.310 139 HD3 ARG 18 1HD ARG 18 -14.902 1.444 -2.694 140 HE ARG 18 HE ARG 18 -17.371 0.471 -1.630 141 HH11 ARG 18 1HH1 ARG 18 -15.913 2.714 -3.931 142 HH12 ARG 18 2HH1 ARG 18 -17.270 2.765 -4.969 143 HH21 ARG 18 1HH2 ARG 18 -19.237 0.529 -3.043 144 HH22 ARG 18 2HH2 ARG 18 -19.208 1.504 -4.437 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -11.263 -2.820 1.350 2 HA2 GLY 1 2HA GLY 1 -11.265 -5.024 0.560 3 HA3 GLY 1 1HA GLY 1 -12.602 -4.615 -0.501 4 H VAL 2 H VAL 2 -10.905 -2.171 -1.362 5 HA VAL 2 HA VAL 2 -9.487 -3.678 -3.416 6 HB VAL 2 HB VAL 2 -9.975 -0.685 -3.274 7 HG11 VAL 2 1HG1 VAL 2 -9.428 -0.717 -5.680 8 HG12 VAL 2 2HG1 VAL 2 -9.069 -2.439 -5.562 9 HG13 VAL 2 3HG1 VAL 2 -8.083 -1.273 -4.683 10 HG21 VAL 2 3HG2 VAL 2 -11.752 -1.052 -4.935 11 HG22 VAL 2 1HG2 VAL 2 -12.099 -1.874 -3.415 12 HG23 VAL 2 2HG2 VAL 2 -11.508 -2.792 -4.804 13 H CYS 3 H CYS 3 -7.479 -4.173 -2.946 14 HA CYS 3 HA CYS 3 -5.970 -2.395 -1.208 15 HB2 CYS 3 2HB CYS 3 -5.554 -5.306 -1.864 16 HB3 CYS 3 1HB CYS 3 -4.480 -4.348 -0.846 17 H ARG 4 H ARG 4 -4.100 -1.551 -1.750 18 HA ARG 4 HA ARG 4 -2.880 -2.300 -4.301 19 HB2 ARG 4 2HB ARG 4 -2.235 0.107 -4.608 20 HB3 ARG 4 1HB ARG 4 -3.957 -0.198 -4.764 21 HG2 ARG 4 2HG ARG 4 -4.384 0.708 -2.598 22 HG3 ARG 4 1HG ARG 4 -2.658 0.804 -2.254 23 HD2 ARG 4 2HD ARG 4 -2.368 2.499 -3.923 24 HD3 ARG 4 1HD ARG 4 -4.049 2.323 -4.442 25 HE ARG 4 HE ARG 4 -4.569 2.983 -2.072 26 HH11 ARG 4 1HH1 ARG 4 -1.794 4.319 -3.851 27 HH12 ARG 4 2HH1 ARG 4 -1.786 5.773 -2.992 28 HH21 ARG 4 1HH2 ARG 4 -4.564 4.978 -0.917 29 HH22 ARG 4 2HH2 ARG 4 -3.392 6.165 -1.265 30 H CYS 5 H CYS 5 -0.792 -2.827 -4.055 31 HA CYS 5 HA CYS 5 0.462 -2.080 -1.542 32 HB2 CYS 5 2HB CYS 5 1.259 -4.227 -3.500 33 HB3 CYS 5 1HB CYS 5 2.050 -3.892 -1.971 34 H VAL 6 H VAL 6 2.356 -1.132 -1.392 35 HA VAL 6 HA VAL 6 3.642 -0.164 -3.848 36 HB VAL 6 HB VAL 6 3.230 1.451 -1.300 37 HG11 VAL 6 1HG1 VAL 6 4.176 3.333 -2.560 38 HG12 VAL 6 2HG1 VAL 6 4.462 2.262 -3.931 39 HG13 VAL 6 3HG1 VAL 6 5.318 1.994 -2.413 40 HG21 VAL 6 3HG2 VAL 6 1.920 1.824 -3.999 41 HG22 VAL 6 1HG2 VAL 6 1.758 2.912 -2.622 42 HG23 VAL 6 2HG2 VAL 6 1.123 1.268 -2.531 43 H CYS 7 H CYS 7 5.765 -0.737 -3.828 44 HA CYS 7 HA CYS 7 6.878 -1.511 -1.249 45 HB2 CYS 7 2HB CYS 7 7.654 -2.377 -4.027 46 HB3 CYS 7 1HB CYS 7 8.516 -2.822 -2.555 47 H ARG 8 H ARG 8 8.633 -0.626 -0.464 48 HA ARG 8 HA ARG 8 10.245 1.048 -2.187 49 HB2 ARG 8 2HB ARG 8 8.733 2.618 -1.148 50 HB3 ARG 8 1HB ARG 8 9.056 1.941 0.441 51 HG2 ARG 8 2HG ARG 8 11.314 2.760 0.392 52 HG3 ARG 8 1HG ARG 8 11.124 3.303 -1.273 53 HD2 ARG 8 2HD ARG 8 10.937 5.143 0.354 54 HD3 ARG 8 1HD ARG 8 9.480 4.924 -0.609 55 HE ARG 8 HE ARG 8 9.453 3.555 1.908 56 HH11 ARG 8 1HH1 ARG 8 8.860 6.635 0.335 57 HH12 ARG 8 2HH1 ARG 8 7.592 7.103 1.375 58 HH21 ARG 8 1HH2 ARG 8 7.767 4.186 3.380 59 HH22 ARG 8 2HH2 ARG 8 6.960 5.666 3.168 60 H ARG 9 H ARG 9 12.043 0.085 -2.148 61 HA ARG 9 HA ARG 9 13.896 -1.014 -1.582 62 HB2 ARG 9 2HB ARG 9 14.321 1.326 -0.795 63 HB3 ARG 9 1HB ARG 9 13.896 0.808 0.832 64 HG2 ARG 9 2HG ARG 9 15.733 -0.787 0.815 65 HG3 ARG 9 1HG ARG 9 16.137 -0.313 -0.831 66 HD2 ARG 9 2HD ARG 9 16.570 1.984 -0.002 67 HD3 ARG 9 1HD ARG 9 16.278 1.411 1.638 68 HE ARG 9 HE ARG 9 18.338 0.113 0.015 69 HH11 ARG 9 1HH1 ARG 9 17.560 2.086 2.852 70 HH12 ARG 9 2HH1 ARG 9 19.138 2.008 3.489 71 HH21 ARG 9 1HH2 ARG 9 20.481 0.040 0.909 72 HH22 ARG 9 2HH2 ARG 9 20.816 0.833 2.389 73 H GLY 10 H GLY 10 12.047 -2.690 -1.083 74 HA2 GLY 10 2HA GLY 10 12.189 -4.834 -0.119 75 HA3 GLY 10 1HA GLY 10 13.146 -4.162 1.178 76 H VAL 11 H VAL 11 10.966 -1.973 1.383 77 HA VAL 11 HA VAL 11 9.276 -3.566 3.156 78 HB VAL 11 HB VAL 11 9.641 -0.553 3.072 79 HG11 VAL 11 1HG1 VAL 11 7.494 -1.240 4.027 80 HG12 VAL 11 2HG1 VAL 11 8.549 -0.553 5.259 81 HG13 VAL 11 3HG1 VAL 11 8.338 -2.301 5.157 82 HG21 VAL 11 3HG2 VAL 11 11.718 -1.671 3.717 83 HG22 VAL 11 1HG2 VAL 11 10.854 -2.573 4.962 84 HG23 VAL 11 2HG2 VAL 11 11.010 -0.817 5.090 85 H CYS 12 H CYS 12 7.363 -4.125 2.347 86 HA CYS 12 HA CYS 12 6.158 -2.364 0.362 87 HB2 CYS 12 2HB CYS 12 5.678 -5.295 0.861 88 HB3 CYS 12 1HB CYS 12 4.846 -4.329 -0.353 89 H ARG 13 H ARG 13 4.504 -1.280 0.876 90 HA ARG 13 HA ARG 13 2.996 -1.977 3.300 91 HB2 ARG 13 2HB ARG 13 4.222 0.174 3.370 92 HB3 ARG 13 1HB ARG 13 3.380 0.686 1.919 93 HG2 ARG 13 2HG ARG 13 2.319 1.781 3.694 94 HG3 ARG 13 1HG ARG 13 1.236 0.474 3.241 95 HD2 ARG 13 2HD ARG 13 3.173 0.427 5.565 96 HD3 ARG 13 1HD ARG 13 1.457 0.769 5.696 97 HE ARG 13 HE ARG 13 2.688 -1.831 5.078 98 HH11 ARG 13 1HH1 ARG 13 -0.247 0.024 5.945 99 HH12 ARG 13 2HH1 ARG 13 -1.084 -1.346 6.452 100 HH21 ARG 13 1HH2 ARG 13 1.470 -3.689 5.739 101 HH22 ARG 13 2HH2 ARG 13 -0.126 -3.490 6.321 102 H CYS 14 H CYS 14 1.014 -2.761 2.831 103 HA CYS 14 HA CYS 14 -0.155 -1.976 0.288 104 HB2 CYS 14 2HB CYS 14 -1.013 -4.202 2.085 105 HB3 CYS 14 1HB CYS 14 -1.634 -3.861 0.485 106 H VAL 15 H VAL 15 -1.708 -0.823 0.140 107 HA VAL 15 HA VAL 15 -3.023 0.229 2.544 108 HB VAL 15 HB VAL 15 -2.907 1.421 -0.244 109 HG11 VAL 15 1HG1 VAL 15 -4.831 2.171 0.999 110 HG12 VAL 15 2HG1 VAL 15 -3.664 3.488 0.844 111 HG13 VAL 15 3HG1 VAL 15 -3.808 2.615 2.368 112 HG21 VAL 15 3HG2 VAL 15 -1.284 3.044 0.663 113 HG22 VAL 15 1HG2 VAL 15 -0.662 1.392 0.689 114 HG23 VAL 15 2HG2 VAL 15 -1.247 2.139 2.174 115 H CYS 16 H CYS 16 -4.963 -0.642 2.817 116 HA CYS 16 HA CYS 16 -6.430 -1.490 0.454 117 HB2 CYS 16 2HB CYS 16 -6.683 -2.444 3.306 118 HB3 CYS 16 1HB CYS 16 -7.728 -2.924 1.973 119 H ARG 17 H ARG 17 -8.321 -0.689 -0.002 120 HA ARG 17 HA ARG 17 -9.689 0.881 2.028 121 HB2 ARG 17 2HB ARG 17 -8.437 2.483 0.640 122 HB3 ARG 17 1HB ARG 17 -9.210 1.823 -0.792 123 HG2 ARG 17 2HG ARG 17 -11.387 2.536 0.046 124 HG3 ARG 17 1HG ARG 17 -10.606 3.222 1.469 125 HD2 ARG 17 2HD ARG 17 -11.052 4.945 -0.182 126 HD3 ARG 17 1HD ARG 17 -9.317 4.723 0.031 127 HE ARG 17 HE ARG 17 -10.379 3.146 -2.084 128 HH11 ARG 17 1HH1 ARG 17 -9.223 6.374 -1.281 129 HH12 ARG 17 2HH1 ARG 17 -8.811 6.785 -2.876 130 HH21 ARG 17 1HH2 ARG 17 -9.778 3.704 -4.296 131 HH22 ARG 17 2HH2 ARG 17 -9.137 5.245 -4.627 132 H ARG 18 H ARG 18 -11.372 -0.240 2.315 133 HA ARG 18 HA ARG 18 -13.309 -1.306 2.096 134 HB2 ARG 18 2HB ARG 18 -13.835 0.973 1.129 135 HB3 ARG 18 1HB ARG 18 -13.626 0.274 -0.461 136 HG2 ARG 18 2HG ARG 18 -15.497 -1.213 -0.108 137 HG3 ARG 18 1HG ARG 18 -15.660 -0.657 1.558 138 HD2 ARG 18 2HD ARG 18 -16.027 1.027 -0.919 139 HD3 ARG 18 1HD ARG 18 -17.307 0.410 0.124 140 HE ARG 18 HE ARG 18 -15.406 1.945 1.580 141 HH11 ARG 18 1HH1 ARG 18 -18.229 2.294 -0.517 142 HH12 ARG 18 2HH1 ARG 18 -18.625 3.851 0.053 143 HH21 ARG 18 1HH2 ARG 18 -15.969 4.046 2.380 144 HH22 ARG 18 2HH2 ARG 18 -17.323 4.860 1.757 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -12.251 -1.455 0.682 2 HA2 GLY 1 2HA GLY 1 -13.039 -3.495 -0.125 3 HA3 GLY 1 1HA GLY 1 -13.757 -2.657 -1.491 4 H VAL 2 H VAL 2 -10.992 -1.259 -1.752 5 HA VAL 2 HA VAL 2 -9.911 -3.403 -3.430 6 HB VAL 2 HB VAL 2 -9.340 -0.423 -3.504 7 HG11 VAL 2 1HG1 VAL 2 -7.451 -1.714 -4.332 8 HG12 VAL 2 2HG1 VAL 2 -8.252 -0.882 -5.662 9 HG13 VAL 2 3HG1 VAL 2 -8.514 -2.609 -5.417 10 HG21 VAL 2 3HG2 VAL 2 -11.622 -0.913 -4.188 11 HG22 VAL 2 1HG2 VAL 2 -11.038 -2.109 -5.341 12 HG23 VAL 2 2HG2 VAL 2 -10.654 -0.408 -5.580 13 H CYS 3 H CYS 3 -8.059 -4.355 -2.802 14 HA CYS 3 HA CYS 3 -6.641 -3.054 -0.645 15 HB2 CYS 3 2HB CYS 3 -6.424 -5.892 -1.659 16 HB3 CYS 3 1HB CYS 3 -5.483 -5.223 -0.324 17 H ARG 4 H ARG 4 -4.889 -2.020 -0.891 18 HA ARG 4 HA ARG 4 -3.610 -2.200 -3.514 19 HB2 ARG 4 2HB ARG 4 -4.961 -0.170 -3.237 20 HB3 ARG 4 1HB ARG 4 -4.090 0.219 -1.771 21 HG2 ARG 4 2HG ARG 4 -3.363 1.587 -3.658 22 HG3 ARG 4 1HG ARG 4 -2.054 0.578 -3.046 23 HD2 ARG 4 2HD ARG 4 -2.298 -0.952 -4.859 24 HD3 ARG 4 1HD ARG 4 -3.767 -0.149 -5.415 25 HE ARG 4 HE ARG 4 -2.292 1.831 -5.759 26 HH11 ARG 4 1HH1 ARG 4 -0.985 -1.459 -6.044 27 HH12 ARG 4 2HH1 ARG 4 0.178 -1.032 -7.209 28 HH21 ARG 4 1HH2 ARG 4 -0.622 2.395 -7.338 29 HH22 ARG 4 2HH2 ARG 4 0.385 1.176 -7.960 30 H CYS 5 H CYS 5 -1.558 -2.736 -3.437 31 HA CYS 5 HA CYS 5 -0.126 -2.505 -0.909 32 HB2 CYS 5 2HB CYS 5 0.649 -4.013 -3.390 33 HB3 CYS 5 1HB CYS 5 1.402 -4.114 -1.811 34 H VAL 6 H VAL 6 1.583 -1.347 -0.702 35 HA VAL 6 HA VAL 6 2.566 0.089 -3.032 36 HB VAL 6 HB VAL 6 1.135 1.645 -1.769 37 HG11 VAL 6 1HG1 VAL 6 2.900 1.087 0.604 38 HG12 VAL 6 2HG1 VAL 6 1.204 0.637 0.425 39 HG13 VAL 6 3HG1 VAL 6 1.660 2.337 0.526 40 HG21 VAL 6 3HG2 VAL 6 2.773 3.451 -1.324 41 HG22 VAL 6 1HG2 VAL 6 3.081 2.613 -2.851 42 HG23 VAL 6 2HG2 VAL 6 4.072 2.264 -1.437 43 H CYS 7 H CYS 7 4.727 0.118 -3.181 44 HA CYS 7 HA CYS 7 6.128 -1.095 -0.964 45 HB2 CYS 7 2HB CYS 7 7.011 -0.877 -3.854 46 HB3 CYS 7 1HB CYS 7 7.913 -1.608 -2.522 47 H ARG 8 H ARG 8 7.517 -0.032 0.084 48 HA ARG 8 HA ARG 8 8.422 2.572 -0.904 49 HB2 ARG 8 2HB ARG 8 6.451 2.902 0.578 50 HB3 ARG 8 1HB ARG 8 7.300 2.062 1.862 51 HG2 ARG 8 2HG ARG 8 7.379 4.461 2.204 52 HG3 ARG 8 1HG ARG 8 8.996 3.832 1.887 53 HD2 ARG 8 2HD ARG 8 8.573 5.926 0.683 54 HD3 ARG 8 1HD ARG 8 8.875 4.585 -0.418 55 HE ARG 8 HE ARG 8 6.114 5.211 0.198 56 HH11 ARG 8 1HH1 ARG 8 8.752 5.498 -2.158 57 HH12 ARG 8 2HH1 ARG 8 7.760 6.006 -3.439 58 HH21 ARG 8 1HH2 ARG 8 4.738 5.931 -1.626 59 HH22 ARG 8 2HH2 ARG 8 5.486 6.266 -3.126 60 H ARG 9 H ARG 9 10.570 2.613 -0.811 61 HA ARG 9 HA ARG 9 12.708 2.210 -0.265 62 HB2 ARG 9 2HB ARG 9 12.076 3.381 1.797 63 HB3 ARG 9 1HB ARG 9 11.500 1.891 2.498 64 HG2 ARG 9 2HG ARG 9 13.644 2.662 3.474 65 HG3 ARG 9 1HG ARG 9 13.786 1.081 2.725 66 HD2 ARG 9 2HD ARG 9 14.540 3.609 1.273 67 HD3 ARG 9 1HD ARG 9 15.675 2.761 2.320 68 HE ARG 9 HE ARG 9 14.912 0.786 0.762 69 HH11 ARG 9 1HH1 ARG 9 15.719 4.101 -0.223 70 HH12 ARG 9 2HH1 ARG 9 16.459 3.659 -1.674 71 HH21 ARG 9 1HH2 ARG 9 15.886 0.168 -1.276 72 HH22 ARG 9 2HH2 ARG 9 16.516 1.345 -2.325 73 H GLY 10 H GLY 10 11.084 0.076 -1.208 74 HA2 GLY 10 2HA GLY 10 11.811 -2.056 -1.891 75 HA3 GLY 10 1HA GLY 10 12.894 -2.092 -0.512 76 H VAL 11 H VAL 11 10.402 -1.199 1.135 77 HA VAL 11 HA VAL 11 9.595 -3.942 1.719 78 HB VAL 11 HB VAL 11 9.065 -1.367 3.245 79 HG11 VAL 11 1HG1 VAL 11 8.429 -2.807 5.116 80 HG12 VAL 11 2HG1 VAL 11 8.661 -4.230 4.099 81 HG13 VAL 11 3HG1 VAL 11 7.386 -3.075 3.717 82 HG21 VAL 11 3HG2 VAL 11 11.437 -1.890 3.203 83 HG22 VAL 11 1HG2 VAL 11 11.099 -3.534 3.750 84 HG23 VAL 11 2HG2 VAL 11 10.776 -2.168 4.818 85 H CYS 12 H CYS 12 7.471 -4.639 1.445 86 HA CYS 12 HA CYS 12 5.754 -2.661 0.153 87 HB2 CYS 12 2HB CYS 12 5.820 -5.641 -0.348 88 HB3 CYS 12 1HB CYS 12 4.758 -4.475 -1.147 89 H ARG 13 H ARG 13 3.833 -2.285 0.934 90 HA ARG 13 HA ARG 13 2.782 -4.031 3.070 91 HB2 ARG 13 2HB ARG 13 2.963 -1.014 3.064 92 HB3 ARG 13 1HB ARG 13 2.082 -1.952 4.262 93 HG2 ARG 13 2HG ARG 13 4.082 -2.958 5.064 94 HG3 ARG 13 1HG ARG 13 5.017 -2.304 3.723 95 HD2 ARG 13 2HD ARG 13 4.629 -0.051 4.573 96 HD3 ARG 13 1HD ARG 13 3.695 -0.706 5.920 97 HE ARG 13 HE ARG 13 5.842 -1.988 6.388 98 HH11 ARG 13 1HH1 ARG 13 5.812 1.323 5.098 99 HH12 ARG 13 2HH1 ARG 13 7.302 1.770 5.763 100 HH21 ARG 13 1HH2 ARG 13 7.886 -1.412 7.316 101 HH22 ARG 13 2HH2 ARG 13 8.562 0.124 7.079 102 H CYS 14 H CYS 14 0.555 -4.346 3.022 103 HA CYS 14 HA CYS 14 -0.818 -2.967 0.834 104 HB2 CYS 14 2HB CYS 14 -1.540 -5.639 1.977 105 HB3 CYS 14 1HB CYS 14 -2.240 -4.873 0.566 106 H VAL 15 H VAL 15 -2.485 -1.914 1.138 107 HA VAL 15 HA VAL 15 -3.752 -1.846 3.793 108 HB VAL 15 HB VAL 15 -3.203 0.501 1.927 109 HG11 VAL 15 1HG1 VAL 15 -4.489 0.501 4.657 110 HG12 VAL 15 2HG1 VAL 15 -5.305 0.787 3.121 111 HG13 VAL 15 3HG1 VAL 15 -4.095 1.929 3.701 112 HG21 VAL 15 3HG2 VAL 15 -1.174 -0.219 3.071 113 HG22 VAL 15 1HG2 VAL 15 -2.004 -0.125 4.624 114 HG23 VAL 15 2HG2 VAL 15 -1.716 1.341 3.692 115 H CYS 16 H CYS 16 -5.918 -2.214 3.641 116 HA CYS 16 HA CYS 16 -7.036 -2.145 0.979 117 HB2 CYS 16 2HB CYS 16 -8.285 -3.300 3.483 118 HB3 CYS 16 1HB CYS 16 -8.926 -3.380 1.836 119 H ARG 17 H ARG 17 -8.376 -0.827 0.242 120 HA ARG 17 HA ARG 17 -9.410 1.283 1.995 121 HB2 ARG 17 2HB ARG 17 -7.249 1.912 0.897 122 HB3 ARG 17 1HB ARG 17 -8.006 1.650 -0.657 123 HG2 ARG 17 2HG ARG 17 -7.986 3.992 -0.306 124 HG3 ARG 17 1HG ARG 17 -9.650 3.470 -0.036 125 HD2 ARG 17 2HD ARG 17 -7.652 3.861 2.185 126 HD3 ARG 17 1HD ARG 17 -8.721 5.141 1.625 127 HE ARG 17 HE ARG 17 -10.511 3.356 2.189 128 HH11 ARG 17 1HH1 ARG 17 -7.567 3.956 4.115 129 HH12 ARG 17 2HH1 ARG 17 -8.355 3.614 5.590 130 HH21 ARG 17 1HH2 ARG 17 -11.501 2.889 4.204 131 HH22 ARG 17 2HH2 ARG 17 -10.625 2.994 5.654 132 H ARG 18 H ARG 18 -11.542 0.890 1.772 133 HA ARG 18 HA ARG 18 -13.617 0.929 0.892 134 HB2 ARG 18 2HB ARG 18 -12.710 3.045 -0.057 135 HB3 ARG 18 1HB ARG 18 -12.215 2.169 -1.479 136 HG2 ARG 18 2HG ARG 18 -14.555 1.720 -2.016 137 HG3 ARG 18 1HG ARG 18 -15.043 2.608 -0.566 138 HD2 ARG 18 2HD ARG 18 -15.126 3.993 -2.633 139 HD3 ARG 18 1HD ARG 18 -14.052 4.633 -1.392 140 HE ARG 18 HE ARG 18 -12.727 2.930 -3.272 141 HH11 ARG 18 1HH1 ARG 18 -13.783 6.269 -2.719 142 HH12 ARG 18 2HH1 ARG 18 -12.568 6.952 -3.684 143 HH21 ARG 18 1HH2 ARG 18 -11.081 3.844 -4.537 144 HH22 ARG 18 2HH2 ARG 18 -10.975 5.536 -4.777 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -11.828 -1.235 1.108 2 HA2 GLY 1 2HA GLY 1 -12.296 -3.535 0.844 3 HA3 GLY 1 1HA GLY 1 -13.260 -3.143 -0.573 4 H VAL 2 H VAL 2 -10.919 -1.312 -1.356 5 HA VAL 2 HA VAL 2 -9.614 -3.349 -2.958 6 HB VAL 2 HB VAL 2 -9.466 -0.320 -3.080 7 HG11 VAL 2 1HG1 VAL 2 -8.428 -2.363 -5.053 8 HG12 VAL 2 2HG1 VAL 2 -7.444 -1.352 -3.997 9 HG13 VAL 2 3HG1 VAL 2 -8.411 -0.613 -5.274 10 HG21 VAL 2 3HG2 VAL 2 -11.676 -1.148 -3.640 11 HG22 VAL 2 1HG2 VAL 2 -10.985 -2.272 -4.811 12 HG23 VAL 2 2HG2 VAL 2 -10.873 -0.529 -5.078 13 H CYS 3 H CYS 3 -7.619 -4.058 -2.492 14 HA CYS 3 HA CYS 3 -6.109 -2.471 -0.599 15 HB2 CYS 3 2HB CYS 3 -5.970 -5.433 -1.157 16 HB3 CYS 3 1HB CYS 3 -4.820 -4.589 -0.128 17 H ARG 4 H ARG 4 -4.211 -1.646 -1.228 18 HA ARG 4 HA ARG 4 -2.982 -2.669 -3.660 19 HB2 ARG 4 2HB ARG 4 -2.467 -0.270 -4.280 20 HB3 ARG 4 1HB ARG 4 -4.155 -0.733 -4.404 21 HG2 ARG 4 2HG ARG 4 -4.555 0.364 -2.210 22 HG3 ARG 4 1HG ARG 4 -2.880 0.915 -2.228 23 HD2 ARG 4 2HD ARG 4 -4.957 1.555 -4.329 24 HD3 ARG 4 1HD ARG 4 -4.445 2.641 -3.037 25 HE ARG 4 HE ARG 4 -2.130 2.116 -4.191 26 HH11 ARG 4 1HH1 ARG 4 -5.195 2.980 -5.715 27 HH12 ARG 4 2HH1 ARG 4 -4.481 3.790 -7.031 28 HH21 ARG 4 1HH2 ARG 4 -1.163 3.216 -5.947 29 HH22 ARG 4 2HH2 ARG 4 -2.103 3.948 -7.162 30 H CYS 5 H CYS 5 -0.741 -2.714 -3.626 31 HA CYS 5 HA CYS 5 0.362 -2.069 -0.994 32 HB2 CYS 5 2HB CYS 5 1.350 -4.199 -2.880 33 HB3 CYS 5 1HB CYS 5 1.911 -3.908 -1.243 34 H VAL 6 H VAL 6 2.200 -1.056 -0.762 35 HA VAL 6 HA VAL 6 3.421 0.151 -3.161 36 HB VAL 6 HB VAL 6 3.366 1.290 -0.352 37 HG11 VAL 6 1HG1 VAL 6 4.178 2.541 -2.970 38 HG12 VAL 6 2HG1 VAL 6 5.251 2.069 -1.652 39 HG13 VAL 6 3HG1 VAL 6 4.092 3.381 -1.423 40 HG21 VAL 6 3HG2 VAL 6 1.669 2.077 -2.700 41 HG22 VAL 6 1HG2 VAL 6 1.715 2.925 -1.155 42 HG23 VAL 6 2HG2 VAL 6 1.092 1.269 -1.240 43 H CYS 7 H CYS 7 5.537 -0.427 -3.398 44 HA CYS 7 HA CYS 7 6.813 -1.566 -1.056 45 HB2 CYS 7 2HB CYS 7 7.687 -1.778 -3.941 46 HB3 CYS 7 1HB CYS 7 8.458 -2.516 -2.532 47 H ARG 8 H ARG 8 8.348 -0.716 -0.057 48 HA ARG 8 HA ARG 8 9.574 1.684 -1.154 49 HB2 ARG 8 2HB ARG 8 7.722 2.391 0.253 50 HB3 ARG 8 1HB ARG 8 8.311 1.382 1.564 51 HG2 ARG 8 2HG ARG 8 10.234 2.760 1.860 52 HG3 ARG 8 1HG ARG 8 9.856 3.690 0.411 53 HD2 ARG 8 2HD ARG 8 8.131 3.532 2.877 54 HD3 ARG 8 1HD ARG 8 9.208 4.873 2.476 55 HE ARG 8 HE ARG 8 7.654 4.624 0.285 56 HH11 ARG 8 1HH1 ARG 8 6.903 5.075 3.711 57 HH12 ARG 8 2HH1 ARG 8 5.461 5.935 3.428 58 HH21 ARG 8 1HH2 ARG 8 5.669 5.807 -0.101 59 HH22 ARG 8 2HH2 ARG 8 4.727 6.344 1.198 60 H ARG 9 H ARG 9 11.554 1.032 -1.364 61 HA ARG 9 HA ARG 9 13.673 0.489 -0.892 62 HB2 ARG 9 2HB ARG 9 13.151 2.282 0.838 63 HB3 ARG 9 1HB ARG 9 12.951 0.984 1.995 64 HG2 ARG 9 2HG ARG 9 15.139 2.033 2.179 65 HG3 ARG 9 1HG ARG 9 15.275 0.339 1.701 66 HD2 ARG 9 2HD ARG 9 16.793 1.853 0.444 67 HD3 ARG 9 1HD ARG 9 15.677 0.958 -0.581 68 HE ARG 9 HE ARG 9 14.697 3.547 0.159 69 HH11 ARG 9 1HH1 ARG 9 16.729 1.840 -2.150 70 HH12 ARG 9 2HH1 ARG 9 16.605 3.023 -3.362 71 HH21 ARG 9 1HH2 ARG 9 14.488 5.155 -1.506 72 HH22 ARG 9 2HH2 ARG 9 15.277 4.953 -3.002 73 H GLY 10 H GLY 10 11.959 -1.642 -1.162 74 HA2 GLY 10 2HA GLY 10 12.469 -3.940 -1.106 75 HA3 GLY 10 1HA GLY 10 13.427 -3.661 0.338 76 H VAL 11 H VAL 11 10.906 -2.063 1.313 77 HA VAL 11 HA VAL 11 9.617 -4.478 2.379 78 HB VAL 11 HB VAL 11 9.506 -1.647 3.462 79 HG11 VAL 11 1HG1 VAL 11 7.541 -2.946 4.074 80 HG12 VAL 11 2HG1 VAL 11 8.562 -2.694 5.492 81 HG13 VAL 11 3HG1 VAL 11 8.562 -4.250 4.672 82 HG21 VAL 11 3HG2 VAL 11 10.997 -2.444 5.255 83 HG22 VAL 11 1HG2 VAL 11 11.761 -2.548 3.668 84 HG23 VAL 11 2HG2 VAL 11 11.127 -4.002 4.440 85 H CYS 12 H CYS 12 7.667 -4.966 1.594 86 HA CYS 12 HA CYS 12 6.191 -2.856 0.228 87 HB2 CYS 12 2HB CYS 12 5.814 -5.855 0.122 88 HB3 CYS 12 1HB CYS 12 4.904 -4.669 -0.810 89 H ARG 13 H ARG 13 4.559 -1.927 1.069 90 HA ARG 13 HA ARG 13 3.317 -3.149 3.439 91 HB2 ARG 13 2HB ARG 13 4.617 -1.011 3.775 92 HB3 ARG 13 1HB ARG 13 3.490 -0.219 2.689 93 HG2 ARG 13 2HG ARG 13 2.915 0.277 4.981 94 HG3 ARG 13 1HG ARG 13 1.656 -0.734 4.264 95 HD2 ARG 13 2HD ARG 13 2.223 -1.466 6.534 96 HD3 ARG 13 1HD ARG 13 2.617 -2.706 5.341 97 HE ARG 13 HE ARG 13 4.757 -0.902 6.094 98 HH11 ARG 13 1HH1 ARG 13 3.337 -4.125 6.493 99 HH12 ARG 13 2HH1 ARG 13 4.694 -4.738 7.332 100 HH21 ARG 13 1HH2 ARG 13 6.585 -1.776 7.209 101 HH22 ARG 13 2HH2 ARG 13 6.573 -3.407 7.734 102 H CYS 14 H CYS 14 1.076 -3.362 3.359 103 HA CYS 14 HA CYS 14 -0.119 -2.438 0.865 104 HB2 CYS 14 2HB CYS 14 -1.033 -4.697 2.595 105 HB3 CYS 14 1HB CYS 14 -1.753 -4.214 1.071 106 H VAL 15 H VAL 15 -1.817 -1.289 0.791 107 HA VAL 15 HA VAL 15 -3.007 -0.345 3.310 108 HB VAL 15 HB VAL 15 -2.501 1.256 0.775 109 HG11 VAL 15 1HG1 VAL 15 -3.258 3.204 2.083 110 HG12 VAL 15 2HG1 VAL 15 -3.690 2.114 3.405 111 HG13 VAL 15 3HG1 VAL 15 -4.521 1.994 1.860 112 HG21 VAL 15 3HG2 VAL 15 -0.908 2.569 2.122 113 HG22 VAL 15 1HG2 VAL 15 -0.423 0.878 1.987 114 HG23 VAL 15 2HG2 VAL 15 -1.164 1.463 3.475 115 H CYS 16 H CYS 16 -5.190 -0.521 3.362 116 HA CYS 16 HA CYS 16 -6.510 -1.201 0.837 117 HB2 CYS 16 2HB CYS 16 -7.282 -2.093 3.617 118 HB3 CYS 16 1HB CYS 16 -8.098 -2.514 2.115 119 H ARG 17 H ARG 17 -8.205 -0.149 0.230 120 HA ARG 17 HA ARG 17 -9.641 1.578 2.111 121 HB2 ARG 17 2HB ARG 17 -9.656 3.501 0.590 122 HB3 ARG 17 1HB ARG 17 -8.013 3.116 1.074 123 HG2 ARG 17 2HG ARG 17 -7.526 2.186 -1.078 124 HG3 ARG 17 1HG ARG 17 -9.242 2.201 -1.507 125 HD2 ARG 17 2HD ARG 17 -8.028 4.012 -2.627 126 HD3 ARG 17 1HD ARG 17 -9.250 4.621 -1.524 127 HE ARG 17 HE ARG 17 -6.844 4.554 -0.132 128 HH11 ARG 17 1HH1 ARG 17 -8.186 6.223 -2.959 129 HH12 ARG 17 2HH1 ARG 17 -7.278 7.645 -2.713 130 HH21 ARG 17 1HH2 ARG 17 -5.593 6.534 0.165 131 HH22 ARG 17 2HH2 ARG 17 -5.804 7.841 -0.914 132 H ARG 18 H ARG 18 -11.780 1.349 1.861 133 HA ARG 18 HA ARG 18 -13.826 0.891 1.006 134 HB2 ARG 18 2HB ARG 18 -13.297 2.840 -0.376 135 HB3 ARG 18 1HB ARG 18 -12.478 1.830 -1.542 136 HG2 ARG 18 2HG ARG 18 -14.652 2.558 -2.386 137 HG3 ARG 18 1HG ARG 18 -14.647 0.816 -2.152 138 HD2 ARG 18 2HD ARG 18 -15.850 1.120 -0.022 139 HD3 ARG 18 1HD ARG 18 -15.878 2.866 -0.302 140 HE ARG 18 HE ARG 18 -16.933 1.719 -2.558 141 HH11 ARG 18 1HH1 ARG 18 -17.872 1.890 0.847 142 HH12 ARG 18 2HH1 ARG 18 -19.517 1.609 0.570 143 HH21 ARG 18 1HH2 ARG 18 -19.192 1.392 -2.973 144 HH22 ARG 18 2HH2 ARG 18 -20.302 1.309 -1.686 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -12.350 -2.282 -0.120 2 HA2 GLY 1 2HA GLY 1 -12.699 -4.288 -1.279 3 HA3 GLY 1 1HA GLY 1 -13.584 -3.403 -2.509 4 H VAL 2 H VAL 2 -10.782 -1.761 -1.870 5 HA VAL 2 HA VAL 2 -9.375 -3.054 -4.105 6 HB VAL 2 HB VAL 2 -9.241 -0.148 -3.259 7 HG11 VAL 2 1HG1 VAL 2 -8.088 -1.534 -5.661 8 HG12 VAL 2 2HG1 VAL 2 -7.192 -0.905 -4.281 9 HG13 VAL 2 3HG1 VAL 2 -8.026 0.204 -5.371 10 HG21 VAL 2 3HG2 VAL 2 -11.428 -0.595 -4.219 11 HG22 VAL 2 1HG2 VAL 2 -10.675 -1.352 -5.624 12 HG23 VAL 2 2HG2 VAL 2 -10.463 0.372 -5.333 13 H CYS 3 H CYS 3 -7.434 -3.887 -3.512 14 HA CYS 3 HA CYS 3 -6.261 -2.815 -1.079 15 HB2 CYS 3 2HB CYS 3 -5.744 -5.484 -2.412 16 HB3 CYS 3 1HB CYS 3 -4.947 -4.887 -0.962 17 H ARG 4 H ARG 4 -4.544 -1.650 -1.181 18 HA ARG 4 HA ARG 4 -2.991 -1.718 -3.676 19 HB2 ARG 4 2HB ARG 4 -4.246 0.324 -3.686 20 HB3 ARG 4 1HB ARG 4 -3.792 0.683 -2.027 21 HG2 ARG 4 2HG ARG 4 -2.557 2.093 -3.583 22 HG3 ARG 4 1HG ARG 4 -1.463 1.004 -2.737 23 HD2 ARG 4 2HD ARG 4 -0.843 1.107 -5.065 24 HD3 ARG 4 1HD ARG 4 -1.485 -0.490 -4.700 25 HE ARG 4 HE ARG 4 -3.378 1.420 -5.715 26 HH11 ARG 4 1HH1 ARG 4 -1.221 -1.277 -6.496 27 HH12 ARG 4 2HH1 ARG 4 -1.878 -1.525 -8.041 28 HH21 ARG 4 1HH2 ARG 4 -4.285 1.070 -7.823 29 HH22 ARG 4 2HH2 ARG 4 -3.666 -0.168 -8.812 30 H CYS 5 H CYS 5 -0.977 -2.291 -3.410 31 HA CYS 5 HA CYS 5 0.317 -1.780 -0.844 32 HB2 CYS 5 2HB CYS 5 1.229 -3.511 -3.122 33 HB3 CYS 5 1HB CYS 5 2.045 -3.319 -1.598 34 H VAL 6 H VAL 6 1.846 -0.446 -0.726 35 HA VAL 6 HA VAL 6 2.954 0.817 -3.148 36 HB VAL 6 HB VAL 6 2.630 2.053 -0.379 37 HG11 VAL 6 1HG1 VAL 6 3.609 3.284 -2.951 38 HG12 VAL 6 2HG1 VAL 6 4.588 2.915 -1.532 39 HG13 VAL 6 3HG1 VAL 6 3.332 4.155 -1.444 40 HG21 VAL 6 3HG2 VAL 6 0.973 3.554 -1.421 41 HG22 VAL 6 1HG2 VAL 6 0.466 1.864 -1.473 42 HG23 VAL 6 2HG2 VAL 6 1.109 2.630 -2.920 43 H CYS 7 H CYS 7 5.054 0.292 -3.381 44 HA CYS 7 HA CYS 7 6.401 -0.696 -0.994 45 HB2 CYS 7 2HB CYS 7 7.078 -1.252 -3.875 46 HB3 CYS 7 1HB CYS 7 7.911 -1.879 -2.445 47 H ARG 8 H ARG 8 8.014 0.184 -0.182 48 HA ARG 8 HA ARG 8 9.574 2.105 -1.741 49 HB2 ARG 8 2HB ARG 8 7.968 3.415 -0.390 50 HB3 ARG 8 1HB ARG 8 8.556 2.612 1.059 51 HG2 ARG 8 2HG ARG 8 10.791 3.569 0.672 52 HG3 ARG 8 1HG ARG 8 10.156 4.418 -0.738 53 HD2 ARG 8 2HD ARG 8 9.194 4.765 2.094 54 HD3 ARG 8 1HD ARG 8 10.286 5.852 1.242 55 HE ARG 8 HE ARG 8 8.004 5.624 -0.319 56 HH11 ARG 8 1HH1 ARG 8 8.766 6.752 2.950 57 HH12 ARG 8 2HH1 ARG 8 7.625 8.000 2.949 58 HH21 ARG 8 1HH2 ARG 8 6.403 7.273 -0.320 59 HH22 ARG 8 2HH2 ARG 8 6.198 8.296 1.020 60 H ARG 9 H ARG 9 11.470 1.201 -1.807 61 HA ARG 9 HA ARG 9 13.456 0.325 -1.267 62 HB2 ARG 9 2HB ARG 9 13.545 2.326 0.203 63 HB3 ARG 9 1HB ARG 9 12.807 1.399 1.490 64 HG2 ARG 9 2HG ARG 9 15.200 1.723 1.860 65 HG3 ARG 9 1HG ARG 9 14.800 0.021 1.684 66 HD2 ARG 9 2HD ARG 9 15.914 1.721 -0.557 67 HD3 ARG 9 1HD ARG 9 16.915 0.753 0.523 68 HE ARG 9 HE ARG 9 15.349 -0.144 -1.707 69 HH11 ARG 9 1HH1 ARG 9 16.678 -1.205 1.413 70 HH12 ARG 9 2HH1 ARG 9 16.852 -2.827 0.906 71 HH21 ARG 9 1HH2 ARG 9 15.579 -2.410 -2.316 72 HH22 ARG 9 2HH2 ARG 9 16.235 -3.510 -1.197 73 H GLY 10 H GLY 10 11.347 -1.384 -1.348 74 HA2 GLY 10 2HA GLY 10 11.256 -3.693 -1.143 75 HA3 GLY 10 1HA GLY 10 12.475 -3.598 0.121 76 H VAL 11 H VAL 11 10.408 -1.356 1.119 77 HA VAL 11 HA VAL 11 8.967 -3.263 2.781 78 HB VAL 11 HB VAL 11 9.190 -0.252 3.070 79 HG11 VAL 11 1HG1 VAL 11 8.365 -0.637 5.356 80 HG12 VAL 11 2HG1 VAL 11 8.202 -2.353 4.996 81 HG13 VAL 11 3HG1 VAL 11 7.209 -1.178 4.138 82 HG21 VAL 11 3HG2 VAL 11 11.374 -1.320 3.331 83 HG22 VAL 11 1HG2 VAL 11 10.700 -2.409 4.544 84 HG23 VAL 11 2HG2 VAL 11 10.795 -0.671 4.864 85 H CYS 12 H CYS 12 7.034 -3.790 2.057 86 HA CYS 12 HA CYS 12 5.664 -1.855 0.395 87 HB2 CYS 12 2HB CYS 12 5.258 -4.836 0.634 88 HB3 CYS 12 1HB CYS 12 4.318 -3.771 -0.404 89 H ARG 13 H ARG 13 4.067 -0.811 1.158 90 HA ARG 13 HA ARG 13 2.724 -1.668 3.616 91 HB2 ARG 13 2HB ARG 13 2.647 0.952 2.090 92 HB3 ARG 13 1HB ARG 13 1.811 0.646 3.606 93 HG2 ARG 13 2HG ARG 13 4.803 0.658 3.206 94 HG3 ARG 13 1HG ARG 13 3.849 1.943 3.953 95 HD2 ARG 13 2HD ARG 13 3.124 0.391 5.683 96 HD3 ARG 13 1HD ARG 13 4.078 -0.893 4.943 97 HE ARG 13 HE ARG 13 5.593 1.438 5.651 98 HH11 ARG 13 1HH1 ARG 13 4.356 -1.687 6.769 99 HH12 ARG 13 2HH1 ARG 13 5.465 -1.776 8.064 100 HH21 ARG 13 1HH2 ARG 13 7.118 1.232 7.397 101 HH22 ARG 13 2HH2 ARG 13 7.072 -0.118 8.417 102 H CYS 14 H CYS 14 0.838 -2.739 3.345 103 HA CYS 14 HA CYS 14 -0.625 -2.202 0.856 104 HB2 CYS 14 2HB CYS 14 -0.703 -4.722 2.458 105 HB3 CYS 14 1HB CYS 14 -1.507 -4.402 0.940 106 H VAL 15 H VAL 15 -2.483 -1.498 0.995 107 HA VAL 15 HA VAL 15 -3.925 -1.530 3.561 108 HB VAL 15 HB VAL 15 -3.750 0.829 1.649 109 HG11 VAL 15 1HG1 VAL 15 -5.189 0.571 4.284 110 HG12 VAL 15 2HG1 VAL 15 -5.936 0.681 2.692 111 HG13 VAL 15 3HG1 VAL 15 -5.042 2.051 3.340 112 HG21 VAL 15 3HG2 VAL 15 -2.593 2.000 3.467 113 HG22 VAL 15 1HG2 VAL 15 -1.694 0.576 2.941 114 HG23 VAL 15 2HG2 VAL 15 -2.629 0.533 4.441 115 H CYS 16 H CYS 16 -5.826 -2.504 3.298 116 HA CYS 16 HA CYS 16 -7.039 -2.450 0.665 117 HB2 CYS 16 2HB CYS 16 -7.758 -4.096 3.101 118 HB3 CYS 16 1HB CYS 16 -8.620 -4.088 1.560 119 H ARG 17 H ARG 17 -8.706 -1.320 0.229 120 HA ARG 17 HA ARG 17 -10.438 -0.299 2.290 121 HB2 ARG 17 2HB ARG 17 -10.149 2.051 1.674 122 HB3 ARG 17 1HB ARG 17 -8.668 1.353 2.316 123 HG2 ARG 17 2HG ARG 17 -7.757 1.146 0.070 124 HG3 ARG 17 1HG ARG 17 -9.283 1.761 -0.588 125 HD2 ARG 17 2HD ARG 17 -7.500 3.469 -0.479 126 HD3 ARG 17 1HD ARG 17 -8.946 3.871 0.451 127 HE ARG 17 HE ARG 17 -7.598 2.938 2.397 128 HH11 ARG 17 1HH1 ARG 17 -6.172 4.694 -0.300 129 HH12 ARG 17 2HH1 ARG 17 -4.923 5.417 0.609 130 HH21 ARG 17 1HH2 ARG 17 -5.892 3.967 3.696 131 HH22 ARG 17 2HH2 ARG 17 -4.766 4.989 2.940 132 H ARG 18 H ARG 18 -12.416 -0.178 1.531 133 HA ARG 18 HA ARG 18 -14.218 0.016 0.189 134 HB2 ARG 18 2HB ARG 18 -12.989 2.157 -0.294 135 HB3 ARG 18 1HB ARG 18 -12.340 1.424 -1.739 136 HG2 ARG 18 2HG ARG 18 -14.246 2.858 -2.271 137 HG3 ARG 18 1HG ARG 18 -14.674 1.170 -2.580 138 HD2 ARG 18 2HD ARG 18 -15.861 1.019 -0.513 139 HD3 ARG 18 1HD ARG 18 -15.278 2.606 -0.012 140 HE ARG 18 HE ARG 18 -16.763 2.694 -2.424 141 HH11 ARG 18 1HH1 ARG 18 -17.082 2.451 1.072 142 HH12 ARG 18 2HH1 ARG 18 -18.582 3.246 1.140 143 HH21 ARG 18 1HH2 ARG 18 -18.831 3.803 -2.340 144 HH22 ARG 18 2HH2 ARG 18 -19.567 4.076 -0.820 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -11.728 -2.773 0.707 2 HA2 GLY 1 2HA GLY 1 -12.068 -4.671 -0.636 3 HA3 GLY 1 1HA GLY 1 -13.164 -3.739 -1.635 4 H VAL 2 H VAL 2 -10.714 -1.694 -1.523 5 HA VAL 2 HA VAL 2 -9.340 -2.978 -3.790 6 HB VAL 2 HB VAL 2 -9.516 -0.023 -3.177 7 HG11 VAL 2 1HG1 VAL 2 -8.530 -1.497 -5.612 8 HG12 VAL 2 2HG1 VAL 2 -7.552 -0.591 -4.454 9 HG13 VAL 2 3HG1 VAL 2 -8.717 0.251 -5.480 10 HG21 VAL 2 3HG2 VAL 2 -11.081 -1.595 -5.227 11 HG22 VAL 2 1HG2 VAL 2 -11.105 0.154 -5.018 12 HG23 VAL 2 2HG2 VAL 2 -11.730 -0.892 -3.742 13 H CYS 3 H CYS 3 -7.397 -3.748 -3.127 14 HA CYS 3 HA CYS 3 -5.940 -2.094 -1.216 15 HB2 CYS 3 2HB CYS 3 -5.554 -5.007 -1.906 16 HB3 CYS 3 1HB CYS 3 -4.470 -4.097 -0.865 17 H ARG 4 H ARG 4 -4.360 -0.948 -1.892 18 HA ARG 4 HA ARG 4 -3.040 -1.609 -4.439 19 HB2 ARG 4 2HB ARG 4 -4.220 0.521 -4.545 20 HB3 ARG 4 1HB ARG 4 -3.461 1.051 -3.053 21 HG2 ARG 4 2HG ARG 4 -1.316 1.187 -4.134 22 HG3 ARG 4 1HG ARG 4 -1.975 0.474 -5.604 23 HD2 ARG 4 2HD ARG 4 -2.905 3.079 -4.413 24 HD3 ARG 4 1HD ARG 4 -1.713 2.953 -5.701 25 HE ARG 4 HE ARG 4 -3.996 1.546 -6.471 26 HH11 ARG 4 1HH1 ARG 4 -3.053 4.906 -5.890 27 HH12 ARG 4 2HH1 ARG 4 -4.149 5.558 -7.001 28 HH21 ARG 4 1HH2 ARG 4 -5.485 2.456 -8.016 29 HH22 ARG 4 2HH2 ARG 4 -5.573 4.133 -8.251 30 H CYS 5 H CYS 5 -0.987 -2.281 -4.238 31 HA CYS 5 HA CYS 5 0.308 -1.792 -1.656 32 HB2 CYS 5 2HB CYS 5 0.851 -4.004 -3.614 33 HB3 CYS 5 1HB CYS 5 1.587 -3.812 -2.031 34 H VAL 6 H VAL 6 2.300 -1.080 -1.500 35 HA VAL 6 HA VAL 6 3.764 -0.432 -3.926 36 HB VAL 6 HB VAL 6 2.575 1.630 -3.266 37 HG11 VAL 6 1HG1 VAL 6 3.965 1.371 -0.612 38 HG12 VAL 6 2HG1 VAL 6 2.234 1.238 -0.916 39 HG13 VAL 6 3HG1 VAL 6 3.059 2.783 -1.154 40 HG21 VAL 6 3HG2 VAL 6 4.499 3.159 -3.078 41 HG22 VAL 6 1HG2 VAL 6 4.776 1.892 -4.276 42 HG23 VAL 6 2HG2 VAL 6 5.534 1.784 -2.687 43 H CYS 7 H CYS 7 5.953 -0.717 -3.747 44 HA CYS 7 HA CYS 7 6.828 -1.688 -1.146 45 HB2 CYS 7 2HB CYS 7 7.873 -2.486 -3.864 46 HB3 CYS 7 1HB CYS 7 8.436 -3.070 -2.301 47 H ARG 8 H ARG 8 8.471 -0.837 -0.238 48 HA ARG 8 HA ARG 8 10.293 0.842 -1.780 49 HB2 ARG 8 2HB ARG 8 8.592 2.346 -0.750 50 HB3 ARG 8 1HB ARG 8 9.057 1.729 0.833 51 HG2 ARG 8 2HG ARG 8 11.322 2.559 0.499 52 HG3 ARG 8 1HG ARG 8 10.861 3.195 -1.080 53 HD2 ARG 8 2HD ARG 8 10.801 5.014 0.441 54 HD3 ARG 8 1HD ARG 8 9.132 4.574 0.101 55 HE ARG 8 HE ARG 8 9.895 3.185 2.382 56 HH11 ARG 8 1HH1 ARG 8 9.228 6.496 1.370 57 HH12 ARG 8 2HH1 ARG 8 9.057 7.109 2.954 58 HH21 ARG 8 1HH2 ARG 8 9.653 3.993 4.537 59 HH22 ARG 8 2HH2 ARG 8 9.333 5.660 4.815 60 H ARG 9 H ARG 9 12.271 0.209 -1.384 61 HA ARG 9 HA ARG 9 14.153 -0.585 -0.385 62 HB2 ARG 9 2HB ARG 9 13.652 1.275 1.208 63 HB3 ARG 9 1HB ARG 9 12.714 0.167 2.182 64 HG2 ARG 9 2HG ARG 9 14.872 0.580 3.211 65 HG3 ARG 9 1HG ARG 9 14.792 -1.096 2.674 66 HD2 ARG 9 2HD ARG 9 16.090 -0.548 0.699 67 HD3 ARG 9 1HD ARG 9 16.097 1.154 1.158 68 HE ARG 9 HE ARG 9 17.211 -0.626 3.130 69 HH11 ARG 9 1HH1 ARG 9 17.924 1.271 0.242 70 HH12 ARG 9 2HH1 ARG 9 19.558 1.540 0.661 71 HH21 ARG 9 1HH2 ARG 9 19.500 -0.321 3.643 72 HH22 ARG 9 2HH2 ARG 9 20.458 0.619 2.592 73 H GLY 10 H GLY 10 11.891 -2.348 -0.942 74 HA2 GLY 10 2HA GLY 10 11.782 -4.680 -0.884 75 HA3 GLY 10 1HA GLY 10 12.844 -4.674 0.518 76 H VAL 11 H VAL 11 10.690 -2.434 1.355 77 HA VAL 11 HA VAL 11 9.050 -4.366 2.816 78 HB VAL 11 HB VAL 11 9.248 -1.358 3.176 79 HG11 VAL 11 1HG1 VAL 11 8.214 -1.768 5.367 80 HG12 VAL 11 2HG1 VAL 11 8.088 -3.483 4.973 81 HG13 VAL 11 3HG1 VAL 11 7.183 -2.296 4.037 82 HG21 VAL 11 3HG2 VAL 11 10.656 -1.814 5.141 83 HG22 VAL 11 1HG2 VAL 11 11.418 -2.364 3.649 84 HG23 VAL 11 2HG2 VAL 11 10.658 -3.529 4.732 85 H CYS 12 H CYS 12 7.014 -4.707 2.139 86 HA CYS 12 HA CYS 12 5.978 -2.771 0.227 87 HB2 CYS 12 2HB CYS 12 5.278 -5.707 0.477 88 HB3 CYS 12 1HB CYS 12 4.575 -4.586 -0.676 89 H ARG 13 H ARG 13 4.334 -1.609 0.861 90 HA ARG 13 HA ARG 13 2.705 -2.671 3.067 91 HB2 ARG 13 2HB ARG 13 3.983 -0.571 3.638 92 HB3 ARG 13 1HB ARG 13 3.065 0.261 2.385 93 HG2 ARG 13 2HG ARG 13 0.976 -0.317 3.558 94 HG3 ARG 13 1HG ARG 13 1.920 -1.068 4.837 95 HD2 ARG 13 2HD ARG 13 1.259 1.114 5.551 96 HD3 ARG 13 1HD ARG 13 2.993 1.128 5.254 97 HE ARG 13 HE ARG 13 2.645 2.412 3.327 98 HH11 ARG 13 1HH1 ARG 13 -0.430 1.800 4.995 99 HH12 ARG 13 2HH1 ARG 13 -1.197 3.214 4.477 100 HH21 ARG 13 1HH2 ARG 13 1.620 4.358 2.567 101 HH22 ARG 13 2HH2 ARG 13 0.017 4.746 3.001 102 H CYS 14 H CYS 14 0.556 -2.775 2.766 103 HA CYS 14 HA CYS 14 -0.370 -1.837 0.178 104 HB2 CYS 14 2HB CYS 14 -1.537 -3.981 1.908 105 HB3 CYS 14 1HB CYS 14 -2.134 -3.493 0.336 106 H VAL 15 H VAL 15 -1.913 -0.551 0.020 107 HA VAL 15 HA VAL 15 -3.107 0.582 2.430 108 HB VAL 15 HB VAL 15 -3.085 1.643 -0.419 109 HG11 VAL 15 1HG1 VAL 15 -4.960 2.484 0.877 110 HG12 VAL 15 2HG1 VAL 15 -3.791 3.770 0.567 111 HG13 VAL 15 3HG1 VAL 15 -3.858 3.006 2.153 112 HG21 VAL 15 3HG2 VAL 15 -1.355 2.487 1.905 113 HG22 VAL 15 1HG2 VAL 15 -1.394 3.255 0.321 114 HG23 VAL 15 2HG2 VAL 15 -0.816 1.592 0.489 115 H CYS 16 H CYS 16 -5.086 -0.230 2.797 116 HA CYS 16 HA CYS 16 -6.513 -1.228 0.473 117 HB2 CYS 16 2HB CYS 16 -6.697 -2.213 3.325 118 HB3 CYS 16 1HB CYS 16 -7.748 -2.679 1.983 119 H ARG 17 H ARG 17 -8.315 -0.410 -0.015 120 HA ARG 17 HA ARG 17 -9.738 1.223 1.929 121 HB2 ARG 17 2HB ARG 17 -8.270 2.686 0.564 122 HB3 ARG 17 1HB ARG 17 -9.096 2.106 -0.873 123 HG2 ARG 17 2HG ARG 17 -11.150 3.098 -0.201 124 HG3 ARG 17 1HG ARG 17 -10.491 3.513 1.381 125 HD2 ARG 17 2HD ARG 17 -9.506 4.571 -1.255 126 HD3 ARG 17 1HD ARG 17 -10.522 5.453 -0.110 127 HE ARG 17 HE ARG 17 -8.473 4.813 1.432 128 HH11 ARG 17 1HH1 ARG 17 -8.461 6.170 -1.837 129 HH12 ARG 17 2HH1 ARG 17 -6.998 7.020 -1.651 130 HH21 ARG 17 1HH2 ARG 17 -6.460 5.965 1.714 131 HH22 ARG 17 2HH2 ARG 17 -5.797 6.861 0.430 132 H ARG 18 H ARG 18 -11.397 -0.021 2.119 133 HA ARG 18 HA ARG 18 -13.290 -1.124 1.759 134 HB2 ARG 18 2HB ARG 18 -13.850 1.280 1.433 135 HB3 ARG 18 1HB ARG 18 -13.716 1.050 -0.298 136 HG2 ARG 18 2HG ARG 18 -16.037 1.016 0.386 137 HG3 ARG 18 1HG ARG 18 -15.564 -0.584 -0.190 138 HD2 ARG 18 2HD ARG 18 -15.223 -1.300 2.128 139 HD3 ARG 18 1HD ARG 18 -15.722 0.296 2.690 140 HE ARG 18 HE ARG 18 -17.790 -0.607 1.179 141 HH11 ARG 18 1HH1 ARG 18 -16.012 -1.792 4.007 142 HH12 ARG 18 2HH1 ARG 18 -17.343 -2.676 4.622 143 HH21 ARG 18 1HH2 ARG 18 -19.595 -1.831 2.047 144 HH22 ARG 18 2HH2 ARG 18 -19.408 -2.698 3.505 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -11.935 -2.775 -0.080 2 HA2 GLY 1 2HA GLY 1 -12.217 -4.495 -1.626 3 HA3 GLY 1 1HA GLY 1 -12.974 -3.355 -2.725 4 H VAL 2 H VAL 2 -10.490 -1.544 -2.192 5 HA VAL 2 HA VAL 2 -8.909 -2.932 -4.211 6 HB VAL 2 HB VAL 2 -9.030 0.032 -3.580 7 HG11 VAL 2 1HG1 VAL 2 -7.614 0.329 -5.578 8 HG12 VAL 2 2HG1 VAL 2 -7.474 -1.426 -5.723 9 HG13 VAL 2 3HG1 VAL 2 -6.788 -0.602 -4.328 10 HG21 VAL 2 3HG2 VAL 2 -11.023 -0.795 -4.727 11 HG22 VAL 2 1HG2 VAL 2 -10.011 -1.529 -5.970 12 HG23 VAL 2 2HG2 VAL 2 -10.066 0.226 -5.802 13 H CYS 3 H CYS 3 -7.256 -3.970 -3.347 14 HA CYS 3 HA CYS 3 -5.836 -2.637 -1.181 15 HB2 CYS 3 2HB CYS 3 -5.694 -5.516 -2.099 16 HB3 CYS 3 1HB CYS 3 -4.642 -4.826 -0.872 17 H ARG 4 H ARG 4 -4.153 -1.611 -1.572 18 HA ARG 4 HA ARG 4 -2.751 -1.963 -4.113 19 HB2 ARG 4 2HB ARG 4 -3.677 0.259 -3.722 20 HB3 ARG 4 1HB ARG 4 -2.875 0.342 -2.165 21 HG2 ARG 4 2HG ARG 4 -0.694 0.285 -3.318 22 HG3 ARG 4 1HG ARG 4 -1.541 0.293 -4.863 23 HD2 ARG 4 2HD ARG 4 -1.746 2.424 -2.739 24 HD3 ARG 4 1HD ARG 4 -0.783 2.546 -4.206 25 HE ARG 4 HE ARG 4 -3.243 2.012 -5.151 26 HH11 ARG 4 1HH1 ARG 4 -2.033 4.538 -2.922 27 HH12 ARG 4 2HH1 ARG 4 -3.255 5.629 -3.320 28 HH21 ARG 4 1HH2 ARG 4 -4.907 3.548 -5.653 29 HH22 ARG 4 2HH2 ARG 4 -4.917 5.068 -4.880 30 H CYS 5 H CYS 5 -0.947 -3.160 -3.854 31 HA CYS 5 HA CYS 5 0.525 -2.819 -1.349 32 HB2 CYS 5 2HB CYS 5 0.701 -5.112 -3.271 33 HB3 CYS 5 1HB CYS 5 1.556 -4.965 -1.757 34 H VAL 6 H VAL 6 2.400 -2.051 -1.451 35 HA VAL 6 HA VAL 6 3.743 -1.755 -4.017 36 HB VAL 6 HB VAL 6 2.445 0.322 -3.620 37 HG11 VAL 6 1HG1 VAL 6 2.341 0.350 -1.217 38 HG12 VAL 6 2HG1 VAL 6 3.010 1.866 -1.814 39 HG13 VAL 6 3HG1 VAL 6 4.075 0.645 -1.116 40 HG21 VAL 6 3HG2 VAL 6 4.494 0.513 -4.881 41 HG22 VAL 6 1HG2 VAL 6 5.425 0.688 -3.392 42 HG23 VAL 6 2HG2 VAL 6 4.285 1.944 -3.872 43 H CYS 7 H CYS 7 5.960 -1.889 -3.860 44 HA CYS 7 HA CYS 7 6.955 -2.411 -1.178 45 HB2 CYS 7 2HB CYS 7 8.065 -3.347 -3.817 46 HB3 CYS 7 1HB CYS 7 8.670 -3.766 -2.217 47 H ARG 8 H ARG 8 8.552 -1.384 -0.356 48 HA ARG 8 HA ARG 8 10.097 0.385 -2.064 49 HB2 ARG 8 2HB ARG 8 8.255 1.742 -1.135 50 HB3 ARG 8 1HB ARG 8 8.753 1.283 0.477 51 HG2 ARG 8 2HG ARG 8 10.775 2.500 0.318 52 HG3 ARG 8 1HG ARG 8 10.578 2.745 -1.415 53 HD2 ARG 8 2HD ARG 8 8.787 3.850 0.742 54 HD3 ARG 8 1HD ARG 8 9.996 4.766 -0.164 55 HE ARG 8 HE ARG 8 8.402 3.645 -2.069 56 HH11 ARG 8 1HH1 ARG 8 7.752 5.753 0.696 57 HH12 ARG 8 2HH1 ARG 8 6.454 6.559 -0.047 58 HH21 ARG 8 1HH2 ARG 8 6.620 4.713 -3.065 59 HH22 ARG 8 2HH2 ARG 8 5.766 5.935 -2.256 60 H ARG 9 H ARG 9 12.076 -0.138 -1.787 61 HA ARG 9 HA ARG 9 14.064 -0.687 -0.938 62 HB2 ARG 9 2HB ARG 9 13.530 1.446 0.290 63 HB3 ARG 9 1HB ARG 9 12.970 0.479 1.631 64 HG2 ARG 9 2HG ARG 9 15.182 -0.319 2.064 65 HG3 ARG 9 1HG ARG 9 15.783 0.386 0.558 66 HD2 ARG 9 2HD ARG 9 14.685 1.906 2.925 67 HD3 ARG 9 1HD ARG 9 16.382 1.817 2.434 68 HE ARG 9 HE ARG 9 14.976 2.708 0.239 69 HH11 ARG 9 1HH1 ARG 9 15.692 3.961 3.462 70 HH12 ARG 9 2HH1 ARG 9 15.514 5.588 3.014 71 HH21 ARG 9 1HH2 ARG 9 14.722 4.892 -0.368 72 HH22 ARG 9 2HH2 ARG 9 14.945 6.150 0.766 73 H GLY 10 H GLY 10 12.171 -2.700 -1.032 74 HA2 GLY 10 2HA GLY 10 12.379 -4.959 -0.517 75 HA3 GLY 10 1HA GLY 10 13.314 -4.534 0.914 76 H VAL 11 H VAL 11 10.990 -2.508 1.409 77 HA VAL 11 HA VAL 11 9.493 -4.426 3.012 78 HB VAL 11 HB VAL 11 9.443 -1.395 3.122 79 HG11 VAL 11 1HG1 VAL 11 8.420 -3.442 5.088 80 HG12 VAL 11 2HG1 VAL 11 7.434 -2.433 4.035 81 HG13 VAL 11 3HG1 VAL 11 8.398 -1.695 5.315 82 HG21 VAL 11 3HG2 VAL 11 11.669 -2.212 3.683 83 HG22 VAL 11 1HG2 VAL 11 10.979 -3.334 4.857 84 HG23 VAL 11 2HG2 VAL 11 10.860 -1.595 5.121 85 H CYS 12 H CYS 12 7.742 -5.221 2.018 86 HA CYS 12 HA CYS 12 6.265 -3.478 0.242 87 HB2 CYS 12 2HB CYS 12 5.882 -6.416 0.832 88 HB3 CYS 12 1HB CYS 12 5.009 -5.495 -0.386 89 H ARG 13 H ARG 13 4.349 -2.679 0.629 90 HA ARG 13 HA ARG 13 3.078 -3.355 3.179 91 HB2 ARG 13 2HB ARG 13 4.424 -1.354 3.482 92 HB3 ARG 13 1HB ARG 13 3.694 -0.621 2.067 93 HG2 ARG 13 2HG ARG 13 1.545 -0.532 3.212 94 HG3 ARG 13 1HG ARG 13 2.273 -1.300 4.630 95 HD2 ARG 13 2HD ARG 13 3.793 0.560 4.896 96 HD3 ARG 13 1HD ARG 13 3.181 1.307 3.423 97 HE ARG 13 HE ARG 13 0.987 1.025 4.963 98 HH11 ARG 13 1HH1 ARG 13 4.145 2.493 5.531 99 HH12 ARG 13 2HH1 ARG 13 3.545 3.756 6.513 100 HH21 ARG 13 1HH2 ARG 13 0.166 2.757 6.348 101 HH22 ARG 13 2HH2 ARG 13 1.244 3.889 7.009 102 H CYS 14 H CYS 14 0.869 -3.452 3.056 103 HA CYS 14 HA CYS 14 -0.317 -2.719 0.481 104 HB2 CYS 14 2HB CYS 14 -1.244 -4.803 2.427 105 HB3 CYS 14 1HB CYS 14 -2.026 -4.396 0.914 106 H VAL 15 H VAL 15 -1.951 -1.486 0.443 107 HA VAL 15 HA VAL 15 -3.169 -0.533 2.954 108 HB VAL 15 HB VAL 15 -2.899 0.987 0.328 109 HG11 VAL 15 1HG1 VAL 15 -3.851 1.921 3.028 110 HG12 VAL 15 2HG1 VAL 15 -4.851 1.651 1.599 111 HG13 VAL 15 3HG1 VAL 15 -3.644 2.939 1.604 112 HG21 VAL 15 3HG2 VAL 15 -1.246 2.408 1.425 113 HG22 VAL 15 1HG2 VAL 15 -0.695 0.736 1.389 114 HG23 VAL 15 2HG2 VAL 15 -1.338 1.433 2.881 115 H CYS 16 H CYS 16 -5.184 -1.379 3.034 116 HA CYS 16 HA CYS 16 -6.522 -1.870 0.508 117 HB2 CYS 16 2HB CYS 16 -7.104 -3.020 3.240 118 HB3 CYS 16 1HB CYS 16 -8.065 -3.262 1.775 119 H ARG 17 H ARG 17 -8.138 -0.819 -0.103 120 HA ARG 17 HA ARG 17 -9.536 0.917 1.775 121 HB2 ARG 17 2HB ARG 17 -7.636 2.120 0.613 122 HB3 ARG 17 1HB ARG 17 -8.486 1.843 -0.895 123 HG2 ARG 17 2HG ARG 17 -8.943 4.066 -0.143 124 HG3 ARG 17 1HG ARG 17 -10.416 3.087 0.017 125 HD2 ARG 17 2HD ARG 17 -10.067 2.830 2.368 126 HD3 ARG 17 1HD ARG 17 -8.476 3.578 2.278 127 HE ARG 17 HE ARG 17 -10.328 5.393 1.332 128 HH11 ARG 17 1HH1 ARG 17 -9.630 3.728 4.390 129 HH12 ARG 17 2HH1 ARG 17 -10.151 5.011 5.386 130 HH21 ARG 17 1HH2 ARG 17 -11.044 7.200 2.753 131 HH22 ARG 17 2HH2 ARG 17 -10.959 7.001 4.435 132 H ARG 18 H ARG 18 -11.382 -0.216 1.592 133 HA ARG 18 HA ARG 18 -13.319 -1.012 0.797 134 HB2 ARG 18 2HB ARG 18 -13.682 1.403 0.681 135 HB3 ARG 18 1HB ARG 18 -13.057 1.434 -0.953 136 HG2 ARG 18 2HG ARG 18 -14.943 0.095 -1.727 137 HG3 ARG 18 1HG ARG 18 -15.535 -0.062 -0.073 138 HD2 ARG 18 2HD ARG 18 -15.255 2.517 -1.611 139 HD3 ARG 18 1HD ARG 18 -16.759 1.644 -1.323 140 HE ARG 18 HE ARG 18 -15.617 2.060 1.142 141 HH11 ARG 18 1HH1 ARG 18 -16.762 4.143 -1.495 142 HH12 ARG 18 2HH1 ARG 18 -17.328 5.370 -0.463 143 HH21 ARG 18 1HH2 ARG 18 -16.373 3.775 2.556 144 HH22 ARG 18 2HH2 ARG 18 -17.097 5.160 1.882 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -11.718 -1.350 1.092 2 HA2 GLY 1 2HA GLY 1 -12.420 -3.442 0.359 3 HA3 GLY 1 1HA GLY 1 -13.327 -2.665 -0.932 4 H VAL 2 H VAL 2 -10.642 -1.097 -1.338 5 HA VAL 2 HA VAL 2 -9.657 -3.035 -3.283 6 HB VAL 2 HB VAL 2 -9.051 -0.077 -3.041 7 HG11 VAL 2 1HG1 VAL 2 -8.497 -2.012 -5.290 8 HG12 VAL 2 2HG1 VAL 2 -7.301 -1.307 -4.208 9 HG13 VAL 2 3HG1 VAL 2 -8.189 -0.275 -5.332 10 HG21 VAL 2 3HG2 VAL 2 -10.569 0.201 -4.973 11 HG22 VAL 2 1HG2 VAL 2 -11.404 -0.399 -3.537 12 HG23 VAL 2 2HG2 VAL 2 -10.997 -1.506 -4.847 13 H CYS 3 H CYS 3 -8.029 -4.231 -2.591 14 HA CYS 3 HA CYS 3 -6.128 -3.046 -0.745 15 HB2 CYS 3 2HB CYS 3 -6.573 -5.919 -1.553 16 HB3 CYS 3 1HB CYS 3 -5.264 -5.390 -0.506 17 H ARG 4 H ARG 4 -4.283 -2.349 -1.470 18 HA ARG 4 HA ARG 4 -3.264 -3.479 -3.975 19 HB2 ARG 4 2HB ARG 4 -4.437 -1.348 -4.422 20 HB3 ARG 4 1HB ARG 4 -3.353 -0.540 -3.300 21 HG2 ARG 4 2HG ARG 4 -1.459 -1.043 -4.736 22 HG3 ARG 4 1HG ARG 4 -2.528 -1.906 -5.853 23 HD2 ARG 4 2HD ARG 4 -3.806 0.160 -6.181 24 HD3 ARG 4 1HD ARG 4 -2.684 1.006 -5.124 25 HE ARG 4 HE ARG 4 -1.075 -0.066 -6.988 26 HH11 ARG 4 1HH1 ARG 4 -3.994 1.917 -7.175 27 HH12 ARG 4 2HH1 ARG 4 -3.540 2.694 -8.616 28 HH21 ARG 4 1HH2 ARG 4 -0.456 1.051 -9.017 29 HH22 ARG 4 2HH2 ARG 4 -1.528 2.207 -9.655 30 H CYS 5 H CYS 5 -1.068 -3.780 -3.992 31 HA CYS 5 HA CYS 5 0.305 -3.081 -1.510 32 HB2 CYS 5 2HB CYS 5 1.233 -5.012 -3.617 33 HB3 CYS 5 1HB CYS 5 1.886 -4.813 -1.997 34 H VAL 6 H VAL 6 2.010 -1.934 -1.356 35 HA VAL 6 HA VAL 6 3.023 -0.591 -3.773 36 HB VAL 6 HB VAL 6 2.523 0.655 -1.039 37 HG11 VAL 6 1HG1 VAL 6 4.410 1.676 -2.180 38 HG12 VAL 6 2HG1 VAL 6 3.048 2.792 -2.092 39 HG13 VAL 6 3HG1 VAL 6 3.404 1.963 -3.603 40 HG21 VAL 6 3HG2 VAL 6 0.752 1.982 -2.120 41 HG22 VAL 6 1HG2 VAL 6 0.404 0.253 -2.152 42 HG23 VAL 6 2HG2 VAL 6 0.986 1.061 -3.605 43 H CYS 7 H CYS 7 5.287 -0.415 -3.779 44 HA CYS 7 HA CYS 7 6.622 -1.507 -1.419 45 HB2 CYS 7 2HB CYS 7 7.665 -1.522 -4.255 46 HB3 CYS 7 1HB CYS 7 8.455 -2.138 -2.794 47 H ARG 8 H ARG 8 7.826 -0.358 -0.335 48 HA ARG 8 HA ARG 8 8.902 2.145 -1.443 49 HB2 ARG 8 2HB ARG 8 6.868 2.640 -0.120 50 HB3 ARG 8 1HB ARG 8 7.579 1.823 1.262 51 HG2 ARG 8 2HG ARG 8 9.415 3.504 1.227 52 HG3 ARG 8 1HG ARG 8 8.543 4.359 -0.046 53 HD2 ARG 8 2HD ARG 8 7.496 3.770 2.723 54 HD3 ARG 8 1HD ARG 8 8.123 5.321 2.181 55 HE ARG 8 HE ARG 8 6.139 4.792 0.428 56 HH11 ARG 8 1HH1 ARG 8 6.254 4.841 3.972 57 HH12 ARG 8 2HH1 ARG 8 4.636 5.368 4.158 58 HH21 ARG 8 1HH2 ARG 8 3.878 5.543 0.713 59 HH22 ARG 8 2HH2 ARG 8 3.282 5.754 2.282 60 H ARG 9 H ARG 9 11.012 1.879 -1.367 61 HA ARG 9 HA ARG 9 13.108 1.426 -0.725 62 HB2 ARG 9 2HB ARG 9 12.505 3.124 1.004 63 HB3 ARG 9 1HB ARG 9 12.011 1.829 2.075 64 HG2 ARG 9 2HG ARG 9 14.189 2.669 2.699 65 HG3 ARG 9 1HG ARG 9 14.320 1.003 2.141 66 HD2 ARG 9 2HD ARG 9 15.081 1.818 -0.053 67 HD3 ARG 9 1HD ARG 9 14.964 3.478 0.535 68 HE ARG 9 HE ARG 9 16.694 1.552 1.897 69 HH11 ARG 9 1HH1 ARG 9 16.387 4.462 -0.077 70 HH12 ARG 9 2HH1 ARG 9 17.953 5.017 0.218 71 HH21 ARG 9 1HH2 ARG 9 18.897 2.338 2.331 72 HH22 ARG 9 2HH2 ARG 9 19.409 3.789 1.623 73 H GLY 10 H GLY 10 11.675 -0.769 -1.315 74 HA2 GLY 10 2HA GLY 10 12.227 -3.017 -1.374 75 HA3 GLY 10 1HA GLY 10 13.216 -2.785 0.060 76 H VAL 11 H VAL 11 10.497 -1.413 1.047 77 HA VAL 11 HA VAL 11 9.527 -3.919 2.149 78 HB VAL 11 HB VAL 11 8.993 -1.063 3.032 79 HG11 VAL 11 1HG1 VAL 11 7.968 -2.068 5.028 80 HG12 VAL 11 2HG1 VAL 11 8.213 -3.674 4.347 81 HG13 VAL 11 3HG1 VAL 11 7.114 -2.542 3.559 82 HG21 VAL 11 3HG2 VAL 11 10.715 -3.206 4.276 83 HG22 VAL 11 1HG2 VAL 11 10.392 -1.613 4.959 84 HG23 VAL 11 2HG2 VAL 11 11.292 -1.764 3.445 85 H CYS 12 H CYS 12 7.928 -4.754 1.080 86 HA CYS 12 HA CYS 12 6.090 -2.999 -0.312 87 HB2 CYS 12 2HB CYS 12 6.391 -6.008 -0.433 88 HB3 CYS 12 1HB CYS 12 5.302 -5.040 -1.423 89 H ARG 13 H ARG 13 4.298 -2.507 0.526 90 HA ARG 13 HA ARG 13 3.245 -4.132 2.736 91 HB2 ARG 13 2HB ARG 13 4.285 -2.065 3.553 92 HB3 ARG 13 1HB ARG 13 3.299 -1.127 2.445 93 HG2 ARG 13 2HG ARG 13 1.286 -1.880 3.619 94 HG3 ARG 13 1HG ARG 13 2.307 -2.787 4.736 95 HD2 ARG 13 2HD ARG 13 3.374 -0.734 5.459 96 HD3 ARG 13 1HD ARG 13 2.410 0.192 4.310 97 HE ARG 13 HE ARG 13 0.687 -1.272 5.899 98 HH11 ARG 13 1HH1 ARG 13 3.040 1.320 6.353 99 HH12 ARG 13 2HH1 ARG 13 2.165 2.144 7.551 100 HH21 ARG 13 1HH2 ARG 13 -0.564 -0.165 7.561 101 HH22 ARG 13 2HH2 ARG 13 0.035 1.279 8.244 102 H CYS 14 H CYS 14 1.025 -4.500 2.650 103 HA CYS 14 HA CYS 14 -0.222 -3.415 0.278 104 HB2 CYS 14 2HB CYS 14 -1.124 -5.773 1.877 105 HB3 CYS 14 1HB CYS 14 -1.766 -5.241 0.337 106 H VAL 15 H VAL 15 -1.731 -2.184 0.315 107 HA VAL 15 HA VAL 15 -2.722 -1.260 2.923 108 HB VAL 15 HB VAL 15 -2.523 0.318 0.350 109 HG11 VAL 15 1HG1 VAL 15 -2.870 2.268 1.802 110 HG12 VAL 15 2HG1 VAL 15 -3.085 1.186 3.174 111 HG13 VAL 15 3HG1 VAL 15 -4.235 1.153 1.837 112 HG21 VAL 15 3HG2 VAL 15 -0.613 1.496 1.387 113 HG22 VAL 15 1HG2 VAL 15 -0.273 -0.215 1.109 114 HG23 VAL 15 2HG2 VAL 15 -0.666 0.350 2.728 115 H CYS 16 H CYS 16 -4.801 -1.662 3.230 116 HA CYS 16 HA CYS 16 -6.465 -2.031 0.876 117 HB2 CYS 16 2HB CYS 16 -6.945 -2.979 3.698 118 HB3 CYS 16 1HB CYS 16 -8.055 -3.142 2.331 119 H ARG 17 H ARG 17 -7.948 -0.718 0.438 120 HA ARG 17 HA ARG 17 -9.064 1.028 2.473 121 HB2 ARG 17 2HB ARG 17 -7.110 2.286 1.758 122 HB3 ARG 17 1HB ARG 17 -7.569 2.094 0.074 123 HG2 ARG 17 2HG ARG 17 -9.551 3.477 0.450 124 HG3 ARG 17 1HG ARG 17 -9.108 3.648 2.148 125 HD2 ARG 17 2HD ARG 17 -8.451 5.602 0.781 126 HD3 ARG 17 1HD ARG 17 -7.076 4.814 1.552 127 HE ARG 17 HE ARG 17 -7.452 3.738 -1.010 128 HH11 ARG 17 1HH1 ARG 17 -6.374 6.782 0.451 129 HH12 ARG 17 2HH1 ARG 17 -5.323 7.185 -0.822 130 HH21 ARG 17 1HH2 ARG 17 -5.987 4.269 -2.734 131 HH22 ARG 17 2HH2 ARG 17 -5.108 5.723 -2.689 132 H ARG 18 H ARG 18 -11.115 0.980 2.192 133 HA ARG 18 HA ARG 18 -13.194 1.005 1.349 134 HB2 ARG 18 2HB ARG 18 -12.220 3.108 0.301 135 HB3 ARG 18 1HB ARG 18 -11.955 2.170 -1.152 136 HG2 ARG 18 2HG ARG 18 -13.969 3.577 -1.262 137 HG3 ARG 18 1HG ARG 18 -14.323 1.857 -1.444 138 HD2 ARG 18 2HD ARG 18 -15.921 3.069 0.029 139 HD3 ARG 18 1HD ARG 18 -15.119 1.720 0.820 140 HE ARG 18 HE ARG 18 -13.530 3.674 1.564 141 HH11 ARG 18 1HH1 ARG 18 -17.072 3.809 1.399 142 HH12 ARG 18 2HH1 ARG 18 -17.207 4.827 2.762 143 HH21 ARG 18 1HH2 ARG 18 -13.750 4.979 3.436 144 HH22 ARG 18 2HH2 ARG 18 -15.295 5.491 3.960 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -10.574 -0.641 2.704 2 HA2 GLY 1 2HA GLY 1 -10.936 -2.945 2.920 3 HA3 GLY 1 1HA GLY 1 -12.361 -2.787 1.903 4 H VAL 2 H VAL 2 -10.604 -1.110 0.030 5 HA VAL 2 HA VAL 2 -9.829 -3.382 -1.569 6 HB VAL 2 HB VAL 2 -9.756 -0.425 -2.235 7 HG11 VAL 2 1HG1 VAL 2 -9.655 -1.165 -4.579 8 HG12 VAL 2 2HG1 VAL 2 -9.546 -2.837 -4.031 9 HG13 VAL 2 3HG1 VAL 2 -8.256 -1.700 -3.649 10 HG21 VAL 2 3HG2 VAL 2 -11.846 -2.503 -2.899 11 HG22 VAL 2 1HG2 VAL 2 -11.833 -0.839 -3.481 12 HG23 VAL 2 2HG2 VAL 2 -12.032 -1.168 -1.762 13 H CYS 3 H CYS 3 -7.820 -4.163 -1.401 14 HA CYS 3 HA CYS 3 -5.787 -2.410 -0.292 15 HB2 CYS 3 2HB CYS 3 -5.766 -5.411 -0.635 16 HB3 CYS 3 1HB CYS 3 -4.478 -4.470 0.108 17 H ARG 4 H ARG 4 -4.191 -1.565 -1.328 18 HA ARG 4 HA ARG 4 -3.490 -2.601 -3.975 19 HB2 ARG 4 2HB ARG 4 -3.811 0.308 -3.172 20 HB3 ARG 4 1HB ARG 4 -3.168 -0.235 -4.715 21 HG2 ARG 4 2HG ARG 4 -5.954 -0.828 -3.711 22 HG3 ARG 4 1HG ARG 4 -5.549 0.470 -4.830 23 HD2 ARG 4 2HD ARG 4 -4.770 -1.134 -6.470 24 HD3 ARG 4 1HD ARG 4 -4.992 -2.456 -5.332 25 HE ARG 4 HE ARG 4 -7.384 -2.003 -5.439 26 HH11 ARG 4 1HH1 ARG 4 -5.415 -0.730 -8.104 27 HH12 ARG 4 2HH1 ARG 4 -6.648 -0.869 -9.259 28 HH21 ARG 4 1HH2 ARG 4 -9.101 -2.206 -7.097 29 HH22 ARG 4 2HH2 ARG 4 -8.760 -1.696 -8.675 30 H CYS 5 H CYS 5 -1.296 -2.695 -4.351 31 HA CYS 5 HA CYS 5 0.273 -2.235 -1.951 32 HB2 CYS 5 2HB CYS 5 0.902 -3.985 -4.308 33 HB3 CYS 5 1HB CYS 5 1.827 -3.884 -2.813 34 H VAL 6 H VAL 6 2.226 -1.276 -1.875 35 HA VAL 6 HA VAL 6 3.237 0.026 -4.254 36 HB VAL 6 HB VAL 6 1.752 1.702 -3.166 37 HG11 VAL 6 1HG1 VAL 6 3.503 1.391 -0.745 38 HG12 VAL 6 2HG1 VAL 6 1.803 0.950 -0.881 39 HG13 VAL 6 3HG1 VAL 6 2.285 2.646 -0.965 40 HG21 VAL 6 3HG2 VAL 6 4.690 2.352 -2.915 41 HG22 VAL 6 1HG2 VAL 6 3.387 3.540 -2.943 42 HG23 VAL 6 2HG2 VAL 6 3.689 2.536 -4.356 43 H CYS 7 H CYS 7 5.492 0.218 -4.187 44 HA CYS 7 HA CYS 7 6.662 -0.978 -1.810 45 HB2 CYS 7 2HB CYS 7 7.814 -1.005 -4.604 46 HB3 CYS 7 1HB CYS 7 8.474 -1.782 -3.164 47 H ARG 8 H ARG 8 8.069 -0.018 -0.701 48 HA ARG 8 HA ARG 8 9.109 2.562 -1.614 49 HB2 ARG 8 2HB ARG 8 7.143 3.032 -0.301 50 HB3 ARG 8 1HB ARG 8 7.666 1.940 0.959 51 HG2 ARG 8 2HG ARG 8 9.570 3.443 1.428 52 HG3 ARG 8 1HG ARG 8 8.943 4.567 0.219 53 HD2 ARG 8 2HD ARG 8 8.256 5.167 2.523 54 HD3 ARG 8 1HD ARG 8 6.881 4.819 1.468 55 HE ARG 8 HE ARG 8 7.818 2.540 2.892 56 HH11 ARG 8 1HH1 ARG 8 5.771 5.395 3.316 57 HH12 ARG 8 2HH1 ARG 8 4.692 4.614 4.396 58 HH21 ARG 8 1HH2 ARG 8 6.354 1.505 4.301 59 HH22 ARG 8 2HH2 ARG 8 5.035 2.354 4.978 60 H ARG 9 H ARG 9 11.195 2.364 -1.546 61 HA ARG 9 HA ARG 9 13.321 2.061 -0.889 62 HB2 ARG 9 2HB ARG 9 12.376 3.307 1.123 63 HB3 ARG 9 1HB ARG 9 12.228 1.754 1.917 64 HG2 ARG 9 2HG ARG 9 14.659 1.459 1.773 65 HG3 ARG 9 1HG ARG 9 14.791 3.018 0.963 66 HD2 ARG 9 2HD ARG 9 13.811 4.113 2.945 67 HD3 ARG 9 1HD ARG 9 13.734 2.546 3.747 68 HE ARG 9 HE ARG 9 16.341 3.023 2.861 69 HH11 ARG 9 1HH1 ARG 9 14.112 4.105 5.395 70 HH12 ARG 9 2HH1 ARG 9 15.362 4.542 6.479 71 HH21 ARG 9 1HH2 ARG 9 18.030 3.662 4.369 72 HH22 ARG 9 2HH2 ARG 9 17.599 4.297 5.885 73 H GLY 10 H GLY 10 11.812 -0.163 -1.756 74 HA2 GLY 10 2HA GLY 10 12.471 -2.339 -2.230 75 HA3 GLY 10 1HA GLY 10 13.589 -2.280 -0.881 76 H VAL 11 H VAL 11 10.754 -1.184 0.325 77 HA VAL 11 HA VAL 11 9.965 -3.876 1.157 78 HB VAL 11 HB VAL 11 9.565 -1.255 2.632 79 HG11 VAL 11 1HG1 VAL 11 8.768 -2.627 4.507 80 HG12 VAL 11 2HG1 VAL 11 8.935 -4.077 3.521 81 HG13 VAL 11 3HG1 VAL 11 7.747 -2.848 3.083 82 HG21 VAL 11 3HG2 VAL 11 11.877 -1.980 2.642 83 HG22 VAL 11 1HG2 VAL 11 11.392 -3.566 3.239 84 HG23 VAL 11 2HG2 VAL 11 11.172 -2.129 4.248 85 H CYS 12 H CYS 12 8.079 -4.531 0.420 86 HA CYS 12 HA CYS 12 6.310 -2.562 -0.777 87 HB2 CYS 12 2HB CYS 12 6.269 -5.572 -1.009 88 HB3 CYS 12 1HB CYS 12 5.189 -4.460 -1.848 89 H ARG 13 H ARG 13 4.572 -1.895 0.088 90 HA ARG 13 HA ARG 13 3.424 -3.440 2.295 91 HB2 ARG 13 2HB ARG 13 3.819 -0.451 2.084 92 HB3 ARG 13 1HB ARG 13 2.754 -1.207 3.257 93 HG2 ARG 13 2HG ARG 13 5.738 -1.596 3.070 94 HG3 ARG 13 1HG ARG 13 4.893 -0.597 4.256 95 HD2 ARG 13 2HD ARG 13 4.748 -3.598 3.933 96 HD3 ARG 13 1HD ARG 13 5.424 -2.697 5.286 97 HE ARG 13 HE ARG 13 2.981 -1.805 5.392 98 HH11 ARG 13 1HH1 ARG 13 4.109 -5.135 5.054 99 HH12 ARG 13 2HH1 ARG 13 2.656 -5.843 5.568 100 HH21 ARG 13 1HH2 ARG 13 0.933 -2.771 6.057 101 HH22 ARG 13 2HH2 ARG 13 0.808 -4.467 6.155 102 H CYS 14 H CYS 14 1.224 -3.647 2.202 103 HA CYS 14 HA CYS 14 0.053 -2.250 -0.044 104 HB2 CYS 14 2HB CYS 14 -1.072 -4.673 1.302 105 HB3 CYS 14 1HB CYS 14 -1.595 -3.947 -0.207 106 H VAL 15 H VAL 15 -1.352 -0.915 0.170 107 HA VAL 15 HA VAL 15 -2.222 -0.165 2.874 108 HB VAL 15 HB VAL 15 -2.173 1.514 0.339 109 HG11 VAL 15 1HG1 VAL 15 -3.873 2.272 1.900 110 HG12 VAL 15 2HG1 VAL 15 -2.546 3.430 1.813 111 HG13 VAL 15 3HG1 VAL 15 -2.675 2.347 3.193 112 HG21 VAL 15 3HG2 VAL 15 -0.268 1.547 2.684 113 HG22 VAL 15 1HG2 VAL 15 -0.263 2.693 1.342 114 HG23 VAL 15 2HG2 VAL 15 0.097 0.991 1.046 115 H CYS 16 H CYS 16 -4.364 -0.190 3.295 116 HA CYS 16 HA CYS 16 -6.003 -0.990 1.049 117 HB2 CYS 16 2HB CYS 16 -6.491 -1.583 3.963 118 HB3 CYS 16 1HB CYS 16 -7.442 -2.145 2.579 119 H ARG 17 H ARG 17 -7.598 0.022 0.447 120 HA ARG 17 HA ARG 17 -8.285 2.591 1.705 121 HB2 ARG 17 2HB ARG 17 -6.963 2.710 -0.358 122 HB3 ARG 17 1HB ARG 17 -8.140 1.704 -1.171 123 HG2 ARG 17 2HG ARG 17 -9.811 3.472 -0.908 124 HG3 ARG 17 1HG ARG 17 -8.589 4.478 -0.117 125 HD2 ARG 17 2HD ARG 17 -8.473 3.399 -2.929 126 HD3 ARG 17 1HD ARG 17 -8.735 5.084 -2.470 127 HE ARG 17 HE ARG 17 -6.450 4.716 -1.306 128 HH11 ARG 17 1HH1 ARG 17 -7.388 3.545 -4.509 129 HH12 ARG 17 2HH1 ARG 17 -5.813 3.510 -5.138 130 HH21 ARG 17 1HH2 ARG 17 -4.232 4.638 -2.172 131 HH22 ARG 17 2HH2 ARG 17 -3.990 4.147 -3.774 132 H ARG 18 H ARG 18 -10.183 1.953 2.750 133 HA ARG 18 HA ARG 18 -12.353 1.402 3.032 134 HB2 ARG 18 2HB ARG 18 -12.574 3.185 1.300 135 HB3 ARG 18 1HB ARG 18 -12.512 1.964 0.055 136 HG2 ARG 18 2HG ARG 18 -14.628 1.063 0.778 137 HG3 ARG 18 1HG ARG 18 -14.674 2.159 2.157 138 HD2 ARG 18 2HD ARG 18 -14.673 2.972 -0.750 139 HD3 ARG 18 1HD ARG 18 -16.075 2.969 0.323 140 HE ARG 18 HE ARG 18 -14.111 4.514 1.523 141 HH11 ARG 18 1HH1 ARG 18 -16.121 4.663 -1.372 142 HH12 ARG 18 2HH1 ARG 18 -16.161 6.360 -1.441 143 HH21 ARG 18 1HH2 ARG 18 -14.161 6.840 1.446 144 HH22 ARG 18 2HH2 ARG 18 -15.025 7.636 0.206 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -11.158 -2.684 0.724 2 HA2 GLY 1 2HA GLY 1 -11.132 -4.994 0.161 3 HA3 GLY 1 1HA GLY 1 -12.404 -4.693 -1.018 4 H VAL 2 H VAL 2 -10.779 -2.191 -1.752 5 HA VAL 2 HA VAL 2 -9.255 -3.508 -3.841 6 HB VAL 2 HB VAL 2 -9.823 -0.559 -3.340 7 HG11 VAL 2 1HG1 VAL 2 -8.732 -1.920 -5.801 8 HG12 VAL 2 2HG1 VAL 2 -7.811 -0.906 -4.692 9 HG13 VAL 2 3HG1 VAL 2 -9.119 -0.206 -5.649 10 HG21 VAL 2 3HG2 VAL 2 -11.874 -1.795 -3.789 11 HG22 VAL 2 1HG2 VAL 2 -11.143 -2.498 -5.231 12 HG23 VAL 2 2HG2 VAL 2 -11.462 -0.769 -5.165 13 H CYS 3 H CYS 3 -7.134 -3.881 -3.541 14 HA CYS 3 HA CYS 3 -5.840 -2.317 -1.455 15 HB2 CYS 3 2HB CYS 3 -5.242 -5.117 -2.395 16 HB3 CYS 3 1HB CYS 3 -4.259 -4.237 -1.235 17 H ARG 4 H ARG 4 -4.084 -1.168 -1.897 18 HA ARG 4 HA ARG 4 -2.772 -1.542 -4.506 19 HB2 ARG 4 2HB ARG 4 -3.137 0.998 -2.899 20 HB3 ARG 4 1HB ARG 4 -2.169 0.872 -4.361 21 HG2 ARG 4 2HG ARG 4 -4.164 0.268 -5.630 22 HG3 ARG 4 1HG ARG 4 -5.133 0.395 -4.163 23 HD2 ARG 4 2HD ARG 4 -4.580 2.758 -3.984 24 HD3 ARG 4 1HD ARG 4 -3.552 2.642 -5.414 25 HE ARG 4 HE ARG 4 -6.226 1.766 -5.879 26 HH11 ARG 4 1HH1 ARG 4 -4.191 4.653 -5.748 27 HH12 ARG 4 2HH1 ARG 4 -5.134 5.554 -6.834 28 HH21 ARG 4 1HH2 ARG 4 -7.569 3.008 -7.321 29 HH22 ARG 4 2HH2 ARG 4 -7.151 4.590 -7.740 30 H CYS 5 H CYS 5 -0.652 -2.088 -4.385 31 HA CYS 5 HA CYS 5 0.579 -1.921 -1.732 32 HB2 CYS 5 2HB CYS 5 1.231 -3.834 -3.945 33 HB3 CYS 5 1HB CYS 5 1.878 -3.852 -2.318 34 H VAL 6 H VAL 6 2.459 -1.028 -1.495 35 HA VAL 6 HA VAL 6 4.016 -0.253 -3.845 36 HB VAL 6 HB VAL 6 3.543 1.651 -1.509 37 HG11 VAL 6 1HG1 VAL 6 4.843 2.100 -4.189 38 HG12 VAL 6 2HG1 VAL 6 5.667 1.956 -2.635 39 HG13 VAL 6 3HG1 VAL 6 4.598 3.329 -2.947 40 HG21 VAL 6 3HG2 VAL 6 2.297 1.807 -4.260 41 HG22 VAL 6 1HG2 VAL 6 2.181 3.047 -3.012 42 HG23 VAL 6 2HG2 VAL 6 1.446 1.461 -2.759 43 H CYS 7 H CYS 7 6.226 -0.437 -3.456 44 HA CYS 7 HA CYS 7 6.874 -1.518 -0.827 45 HB2 CYS 7 2HB CYS 7 8.384 -1.850 -3.427 46 HB3 CYS 7 1HB CYS 7 8.785 -2.596 -1.883 47 H ARG 8 H ARG 8 8.346 -0.672 0.418 48 HA ARG 8 HA ARG 8 9.883 1.614 -0.580 49 HB2 ARG 8 2HB ARG 8 7.883 2.449 0.602 50 HB3 ARG 8 1HB ARG 8 8.356 1.529 2.020 51 HG2 ARG 8 2HG ARG 8 8.946 3.836 2.331 52 HG3 ARG 8 1HG ARG 8 10.412 2.867 2.183 53 HD2 ARG 8 2HD ARG 8 10.630 3.566 -0.168 54 HD3 ARG 8 1HD ARG 8 9.159 4.527 -0.014 55 HE ARG 8 HE ARG 8 11.081 5.204 1.950 56 HH11 ARG 8 1HH1 ARG 8 10.368 5.701 -1.469 57 HH12 ARG 8 2HH1 ARG 8 11.110 7.229 -1.590 58 HH21 ARG 8 1HH2 ARG 8 12.070 7.320 1.845 59 HH22 ARG 8 2HH2 ARG 8 12.108 8.204 0.398 60 H ARG 9 H ARG 9 11.912 0.970 -0.394 61 HA ARG 9 HA ARG 9 13.892 0.311 0.479 62 HB2 ARG 9 2HB ARG 9 13.279 2.071 2.110 63 HB3 ARG 9 1HB ARG 9 12.473 0.876 3.096 64 HG2 ARG 9 2HG ARG 9 14.543 1.450 4.128 65 HG3 ARG 9 1HG ARG 9 14.693 -0.185 3.501 66 HD2 ARG 9 2HD ARG 9 15.704 2.265 2.067 67 HD3 ARG 9 1HD ARG 9 16.683 1.314 3.176 68 HE ARG 9 HE ARG 9 15.651 0.434 0.571 69 HH11 ARG 9 1HH1 ARG 9 17.982 0.069 3.230 70 HH12 ARG 9 2HH1 ARG 9 18.813 -1.207 2.481 71 HH21 ARG 9 1HH2 ARG 9 16.844 -1.289 -0.440 72 HH22 ARG 9 2HH2 ARG 9 18.162 -1.995 0.361 73 H GLY 10 H GLY 10 12.067 -1.744 -0.190 74 HA2 GLY 10 2HA GLY 10 12.400 -4.060 -0.152 75 HA3 GLY 10 1HA GLY 10 13.210 -3.902 1.398 76 H VAL 11 H VAL 11 10.686 -2.138 2.082 77 HA VAL 11 HA VAL 11 9.162 -4.416 3.092 78 HB VAL 11 HB VAL 11 8.922 -1.466 3.778 79 HG11 VAL 11 1HG1 VAL 11 7.665 -3.869 5.108 80 HG12 VAL 11 2HG1 VAL 11 6.825 -2.663 4.137 81 HG13 VAL 11 3HG1 VAL 11 7.553 -2.204 5.677 82 HG21 VAL 11 3HG2 VAL 11 11.050 -2.396 4.520 83 HG22 VAL 11 1HG2 VAL 11 10.199 -3.708 5.334 84 HG23 VAL 11 2HG2 VAL 11 10.002 -2.047 5.898 85 H CYS 12 H CYS 12 7.504 -5.046 1.846 86 HA CYS 12 HA CYS 12 6.231 -3.003 0.247 87 HB2 CYS 12 2HB CYS 12 5.965 -6.006 0.149 88 HB3 CYS 12 1HB CYS 12 5.074 -4.901 -0.899 89 H ARG 13 H ARG 13 4.356 -2.161 0.715 90 HA ARG 13 HA ARG 13 2.799 -3.387 2.864 91 HB2 ARG 13 2HB ARG 13 4.142 -1.593 3.791 92 HB3 ARG 13 1HB ARG 13 3.645 -0.508 2.508 93 HG2 ARG 13 2HG ARG 13 1.381 -0.508 3.369 94 HG3 ARG 13 1HG ARG 13 1.855 -1.660 4.624 95 HD2 ARG 13 2HD ARG 13 1.754 0.702 5.419 96 HD3 ARG 13 1HD ARG 13 3.325 -0.056 5.626 97 HE ARG 13 HE ARG 13 4.225 1.357 4.065 98 HH11 ARG 13 1HH1 ARG 13 0.704 1.829 4.066 99 HH12 ARG 13 2HH1 ARG 13 0.799 3.345 3.283 100 HH21 ARG 13 1HH2 ARG 13 4.313 3.408 3.009 101 HH22 ARG 13 2HH2 ARG 13 2.863 4.243 2.658 102 H CYS 14 H CYS 14 0.586 -3.372 2.496 103 HA CYS 14 HA CYS 14 -0.261 -2.019 0.039 104 HB2 CYS 14 2HB CYS 14 -1.569 -4.389 1.324 105 HB3 CYS 14 1HB CYS 14 -1.955 -3.681 -0.226 106 H VAL 15 H VAL 15 -1.761 -0.663 0.094 107 HA VAL 15 HA VAL 15 -3.110 -0.028 2.626 108 HB VAL 15 HB VAL 15 -3.024 1.588 0.050 109 HG11 VAL 15 1HG1 VAL 15 -4.929 2.126 1.450 110 HG12 VAL 15 2HG1 VAL 15 -3.778 3.462 1.449 111 HG13 VAL 15 3HG1 VAL 15 -3.868 2.378 2.835 112 HG21 VAL 15 3HG2 VAL 15 -1.373 3.040 1.124 113 HG22 VAL 15 1HG2 VAL 15 -0.762 1.394 0.967 114 HG23 VAL 15 2HG2 VAL 15 -1.341 1.978 2.529 115 H CYS 16 H CYS 16 -5.123 -0.890 2.774 116 HA CYS 16 HA CYS 16 -6.425 -1.496 0.253 117 HB2 CYS 16 2HB CYS 16 -6.795 -2.797 2.953 118 HB3 CYS 16 1HB CYS 16 -7.744 -3.166 1.513 119 H ARG 17 H ARG 17 -8.305 -0.745 -0.219 120 HA ARG 17 HA ARG 17 -9.832 0.676 1.815 121 HB2 ARG 17 2HB ARG 17 -8.535 2.398 0.654 122 HB3 ARG 17 1HB ARG 17 -9.110 1.797 -0.889 123 HG2 ARG 17 2HG ARG 17 -11.314 2.532 -0.486 124 HG3 ARG 17 1HG ARG 17 -10.985 2.836 1.215 125 HD2 ARG 17 2HD ARG 17 -9.686 4.306 -1.070 126 HD3 ARG 17 1HD ARG 17 -11.057 4.909 -0.143 127 HE ARG 17 HE ARG 17 -9.155 4.300 1.722 128 HH11 ARG 17 1HH1 ARG 17 -9.173 6.407 -1.121 129 HH12 ARG 17 2HH1 ARG 17 -8.125 7.559 -0.451 130 HH21 ARG 17 1HH2 ARG 17 -7.726 5.917 2.664 131 HH22 ARG 17 2HH2 ARG 17 -7.333 7.296 1.750 132 H ARG 18 H ARG 18 -11.581 -0.420 1.926 133 HA ARG 18 HA ARG 18 -13.616 -1.239 1.452 134 HB2 ARG 18 2HB ARG 18 -13.704 0.967 0.216 135 HB3 ARG 18 1HB ARG 18 -13.360 0.087 -1.255 136 HG2 ARG 18 2HG ARG 18 -15.720 0.535 -1.095 137 HG3 ARG 18 1HG ARG 18 -15.452 -1.202 -0.910 138 HD2 ARG 18 2HD ARG 18 -17.091 -0.321 0.712 139 HD3 ARG 18 1HD ARG 18 -15.677 -1.016 1.498 140 HE ARG 18 HE ARG 18 -15.238 1.711 1.144 141 HH11 ARG 18 1HH1 ARG 18 -17.360 -0.398 3.073 142 HH12 ARG 18 2HH1 ARG 18 -17.524 0.753 4.325 143 HH21 ARG 18 1HH2 ARG 18 -15.465 3.214 2.925 144 HH22 ARG 18 2HH2 ARG 18 -16.441 2.779 4.255 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -12.066 -1.833 0.583 2 HA2 GLY 1 2HA GLY 1 -12.271 -4.112 0.144 3 HA3 GLY 1 1HA GLY 1 -13.251 -3.726 -1.265 4 H VAL 2 H VAL 2 -10.668 -1.775 -1.540 5 HA VAL 2 HA VAL 2 -9.267 -3.739 -3.198 6 HB VAL 2 HB VAL 2 -9.232 -0.719 -3.435 7 HG11 VAL 2 1HG1 VAL 2 -8.178 -2.864 -5.280 8 HG12 VAL 2 2HG1 VAL 2 -7.217 -1.758 -4.299 9 HG13 VAL 2 3HG1 VAL 2 -8.196 -1.133 -5.627 10 HG21 VAL 2 3HG2 VAL 2 -10.753 -2.729 -5.091 11 HG22 VAL 2 1HG2 VAL 2 -10.615 -1.005 -5.423 12 HG23 VAL 2 2HG2 VAL 2 -11.450 -1.558 -3.967 13 H CYS 3 H CYS 3 -7.448 -4.374 -2.369 14 HA CYS 3 HA CYS 3 -6.080 -2.623 -0.505 15 HB2 CYS 3 2HB CYS 3 -5.760 -5.593 -0.954 16 HB3 CYS 3 1HB CYS 3 -4.895 -4.632 0.242 17 H ARG 4 H ARG 4 -4.408 -1.620 -1.171 18 HA ARG 4 HA ARG 4 -2.921 -2.670 -3.489 19 HB2 ARG 4 2HB ARG 4 -3.902 -0.505 -4.045 20 HB3 ARG 4 1HB ARG 4 -3.261 0.200 -2.566 21 HG2 ARG 4 2HG ARG 4 -0.959 -0.206 -3.418 22 HG3 ARG 4 1HG ARG 4 -1.652 -0.794 -4.925 23 HD2 ARG 4 2HD ARG 4 -2.606 1.363 -5.386 24 HD3 ARG 4 1HD ARG 4 -2.118 1.967 -3.804 25 HE ARG 4 HE ARG 4 0.170 1.057 -5.123 26 HH11 ARG 4 1HH1 ARG 4 -2.197 3.635 -5.585 27 HH12 ARG 4 2HH1 ARG 4 -1.080 4.759 -6.182 28 HH21 ARG 4 1HH2 ARG 4 1.712 2.580 -5.962 29 HH22 ARG 4 2HH2 ARG 4 1.196 4.130 -6.455 30 H CYS 5 H CYS 5 -0.822 -3.129 -3.149 31 HA CYS 5 HA CYS 5 0.247 -2.286 -0.581 32 HB2 CYS 5 2HB CYS 5 1.420 -4.328 -2.418 33 HB3 CYS 5 1HB CYS 5 1.851 -3.978 -0.753 34 H VAL 6 H VAL 6 1.562 -0.902 -0.468 35 HA VAL 6 HA VAL 6 2.654 0.348 -2.892 36 HB VAL 6 HB VAL 6 2.468 1.496 -0.083 37 HG11 VAL 6 1HG1 VAL 6 4.246 2.509 -1.390 38 HG12 VAL 6 2HG1 VAL 6 2.918 3.657 -1.168 39 HG13 VAL 6 3HG1 VAL 6 3.118 2.829 -2.707 40 HG21 VAL 6 3HG2 VAL 6 0.689 2.038 -2.464 41 HG22 VAL 6 1HG2 VAL 6 0.603 2.859 -0.906 42 HG23 VAL 6 2HG2 VAL 6 0.233 1.139 -1.013 43 H CYS 7 H CYS 7 4.762 0.078 -3.255 44 HA CYS 7 HA CYS 7 6.247 -1.090 -1.068 45 HB2 CYS 7 2HB CYS 7 6.856 -1.184 -4.020 46 HB3 CYS 7 1HB CYS 7 7.741 -2.019 -2.745 47 H ARG 8 H ARG 8 8.004 -0.326 -0.316 48 HA ARG 8 HA ARG 8 9.181 2.088 -1.438 49 HB2 ARG 8 2HB ARG 8 7.700 2.767 0.365 50 HB3 ARG 8 1HB ARG 8 8.392 1.553 1.427 51 HG2 ARG 8 2HG ARG 8 10.535 2.733 1.371 52 HG3 ARG 8 1HG ARG 8 9.833 3.938 0.299 53 HD2 ARG 8 2HD ARG 8 8.892 3.310 3.089 54 HD3 ARG 8 1HD ARG 8 9.878 4.694 2.635 55 HE ARG 8 HE ARG 8 7.085 4.234 1.818 56 HH11 ARG 8 1HH1 ARG 8 9.796 6.464 2.343 57 HH12 ARG 8 2HH1 ARG 8 8.851 7.863 2.162 58 HH21 ARG 8 1HH2 ARG 8 5.814 6.158 1.545 59 HH22 ARG 8 2HH2 ARG 8 6.540 7.698 1.666 60 H ARG 9 H ARG 9 11.154 1.486 -1.920 61 HA ARG 9 HA ARG 9 13.208 0.558 -1.949 62 HB2 ARG 9 2HB ARG 9 13.302 2.089 0.069 63 HB3 ARG 9 1HB ARG 9 13.008 0.683 1.070 64 HG2 ARG 9 2HG ARG 9 15.371 1.251 1.070 65 HG3 ARG 9 1HG ARG 9 15.117 -0.307 0.290 66 HD2 ARG 9 2HD ARG 9 15.339 0.677 -1.885 67 HD3 ARG 9 1HD ARG 9 15.408 2.300 -1.213 68 HE ARG 9 HE ARG 9 17.426 0.245 -0.664 69 HH11 ARG 9 1HH1 ARG 9 16.617 3.588 -1.549 70 HH12 ARG 9 2HH1 ARG 9 18.228 4.095 -1.703 71 HH21 ARG 9 1HH2 ARG 9 19.657 0.956 -0.848 72 HH22 ARG 9 2HH2 ARG 9 20.016 2.568 -1.258 73 H GLY 10 H GLY 10 11.107 -1.292 -2.118 74 HA2 GLY 10 2HA GLY 10 11.205 -3.604 -2.489 75 HA3 GLY 10 1HA GLY 10 12.609 -3.679 -1.435 76 H VAL 11 H VAL 11 10.427 -1.963 0.294 77 HA VAL 11 HA VAL 11 9.333 -4.384 1.572 78 HB VAL 11 HB VAL 11 9.630 -1.588 2.735 79 HG11 VAL 11 1HG1 VAL 11 9.175 -2.670 4.896 80 HG12 VAL 11 2HG1 VAL 11 8.897 -4.197 4.064 81 HG13 VAL 11 3HG1 VAL 11 7.824 -2.830 3.776 82 HG21 VAL 11 3HG2 VAL 11 11.476 -2.488 4.080 83 HG22 VAL 11 1HG2 VAL 11 11.828 -2.579 2.353 84 HG23 VAL 11 2HG2 VAL 11 11.340 -4.028 3.234 85 H CYS 12 H CYS 12 7.100 -4.619 1.536 86 HA CYS 12 HA CYS 12 5.711 -2.343 0.341 87 HB2 CYS 12 2HB CYS 12 5.018 -5.259 0.026 88 HB3 CYS 12 1HB CYS 12 4.220 -3.901 -0.762 89 H ARG 13 H ARG 13 4.111 -1.465 1.294 90 HA ARG 13 HA ARG 13 2.990 -2.691 3.731 91 HB2 ARG 13 2HB ARG 13 4.010 -0.469 4.032 92 HB3 ARG 13 1HB ARG 13 3.006 0.182 2.746 93 HG2 ARG 13 2HG ARG 13 2.098 0.875 4.846 94 HG3 ARG 13 1HG ARG 13 1.004 -0.309 4.138 95 HD2 ARG 13 2HD ARG 13 2.030 -2.054 5.565 96 HD3 ARG 13 1HD ARG 13 3.031 -0.805 6.308 97 HE ARG 13 HE ARG 13 0.146 -0.430 6.385 98 HH11 ARG 13 1HH1 ARG 13 3.086 -1.314 8.159 99 HH12 ARG 13 2HH1 ARG 13 2.340 -1.245 9.686 100 HH21 ARG 13 1HH2 ARG 13 -0.855 -0.294 8.494 101 HH22 ARG 13 2HH2 ARG 13 0.065 -0.635 9.878 102 H CYS 14 H CYS 14 0.857 -3.390 3.602 103 HA CYS 14 HA CYS 14 -0.543 -2.599 1.163 104 HB2 CYS 14 2HB CYS 14 -1.236 -4.860 2.981 105 HB3 CYS 14 1HB CYS 14 -1.918 -4.521 1.407 106 H VAL 15 H VAL 15 -2.151 -1.476 1.133 107 HA VAL 15 HA VAL 15 -3.490 -0.670 3.641 108 HB VAL 15 HB VAL 15 -3.010 1.061 1.184 109 HG11 VAL 15 1HG1 VAL 15 -3.827 2.918 2.572 110 HG12 VAL 15 2HG1 VAL 15 -4.176 1.774 3.869 111 HG13 VAL 15 3HG1 VAL 15 -5.050 1.668 2.343 112 HG21 VAL 15 3HG2 VAL 15 -0.912 0.687 2.370 113 HG22 VAL 15 1HG2 VAL 15 -1.657 1.205 3.882 114 HG23 VAL 15 2HG2 VAL 15 -1.444 2.360 2.566 115 H CYS 16 H CYS 16 -5.728 -0.759 3.558 116 HA CYS 16 HA CYS 16 -6.798 -1.582 0.973 117 HB2 CYS 16 2HB CYS 16 -7.803 -2.390 3.702 118 HB3 CYS 16 1HB CYS 16 -8.517 -2.828 2.152 119 H ARG 17 H ARG 17 -8.392 -0.563 0.124 120 HA ARG 17 HA ARG 17 -9.996 1.246 1.740 121 HB2 ARG 17 2HB ARG 17 -8.102 2.594 0.912 122 HB3 ARG 17 1HB ARG 17 -8.485 2.122 -0.732 123 HG2 ARG 17 2HG ARG 17 -10.564 3.324 -0.657 124 HG3 ARG 17 1HG ARG 17 -10.338 3.684 1.055 125 HD2 ARG 17 2HD ARG 17 -9.739 5.625 -0.265 126 HD3 ARG 17 1HD ARG 17 -8.304 4.967 0.505 127 HE ARG 17 HE ARG 17 -9.016 4.523 -2.310 128 HH11 ARG 17 1HH1 ARG 17 -6.514 4.997 0.181 129 HH12 ARG 17 2HH1 ARG 17 -5.271 5.322 -0.914 130 HH21 ARG 17 1HH2 ARG 17 -7.235 4.943 -3.845 131 HH22 ARG 17 2HH2 ARG 17 -5.674 5.270 -3.250 132 H ARG 18 H ARG 18 -11.985 0.706 1.335 133 HA ARG 18 HA ARG 18 -13.939 0.235 0.326 134 HB2 ARG 18 2HB ARG 18 -13.308 2.298 -0.953 135 HB3 ARG 18 1HB ARG 18 -12.575 1.278 -2.165 136 HG2 ARG 18 2HG ARG 18 -14.791 2.157 -2.821 137 HG3 ARG 18 1HG ARG 18 -14.712 0.396 -2.808 138 HD2 ARG 18 2HD ARG 18 -16.793 1.329 -1.821 139 HD3 ARG 18 1HD ARG 18 -15.886 0.297 -0.718 140 HE ARG 18 HE ARG 18 -15.061 2.919 -0.300 141 HH11 ARG 18 1HH1 ARG 18 -17.995 0.987 0.098 142 HH12 ARG 18 2HH1 ARG 18 -18.587 1.907 1.404 143 HH21 ARG 18 1HH2 ARG 18 -15.889 4.186 1.499 144 HH22 ARG 18 2HH2 ARG 18 -17.384 3.726 2.202 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -11.729 -2.827 1.143 2 HA2 GLY 1 2HA GLY 1 -11.892 -4.904 0.106 3 HA3 GLY 1 1HA GLY 1 -13.002 -4.203 -1.056 4 H VAL 2 H VAL 2 -10.887 -1.967 -1.422 5 HA VAL 2 HA VAL 2 -9.383 -3.502 -3.407 6 HB VAL 2 HB VAL 2 -9.666 -0.491 -3.196 7 HG11 VAL 2 1HG1 VAL 2 -7.693 -1.171 -4.419 8 HG12 VAL 2 2HG1 VAL 2 -8.882 -0.498 -5.533 9 HG13 VAL 2 3HG1 VAL 2 -8.661 -2.243 -5.431 10 HG21 VAL 2 3HG2 VAL 2 -11.199 -2.409 -4.957 11 HG22 VAL 2 1HG2 VAL 2 -11.284 -0.648 -5.042 12 HG23 VAL 2 2HG2 VAL 2 -11.857 -1.490 -3.603 13 H CYS 3 H CYS 3 -7.418 -4.092 -2.784 14 HA CYS 3 HA CYS 3 -6.037 -2.365 -0.899 15 HB2 CYS 3 2HB CYS 3 -5.612 -5.297 -1.487 16 HB3 CYS 3 1HB CYS 3 -4.649 -4.350 -0.364 17 H ARG 4 H ARG 4 -4.045 -1.593 -1.364 18 HA ARG 4 HA ARG 4 -2.842 -2.426 -3.900 19 HB2 ARG 4 2HB ARG 4 -3.113 0.423 -2.940 20 HB3 ARG 4 1HB ARG 4 -2.148 -0.083 -4.312 21 HG2 ARG 4 2HG ARG 4 -4.192 -0.881 -5.427 22 HG3 ARG 4 1HG ARG 4 -5.142 -0.288 -4.064 23 HD2 ARG 4 2HD ARG 4 -3.366 1.354 -5.844 24 HD3 ARG 4 1HD ARG 4 -5.127 1.323 -5.901 25 HE ARG 4 HE ARG 4 -4.847 2.074 -3.451 26 HH11 ARG 4 1HH1 ARG 4 -2.778 3.089 -6.158 27 HH12 ARG 4 2HH1 ARG 4 -2.491 4.642 -5.535 28 HH21 ARG 4 1HH2 ARG 4 -4.401 4.198 -2.582 29 HH22 ARG 4 2HH2 ARG 4 -3.416 5.291 -3.430 30 H CYS 5 H CYS 5 -0.661 -2.635 -3.829 31 HA CYS 5 HA CYS 5 0.496 -2.145 -1.210 32 HB2 CYS 5 2HB CYS 5 1.478 -3.965 -3.361 33 HB3 CYS 5 1HB CYS 5 2.202 -3.769 -1.784 34 H VAL 6 H VAL 6 2.062 -0.962 -0.866 35 HA VAL 6 HA VAL 6 3.291 0.570 -3.048 36 HB VAL 6 HB VAL 6 3.140 1.192 -0.071 37 HG11 VAL 6 1HG1 VAL 6 3.916 3.426 -0.673 38 HG12 VAL 6 2HG1 VAL 6 4.018 2.938 -2.362 39 HG13 VAL 6 3HG1 VAL 6 5.082 2.193 -1.169 40 HG21 VAL 6 3HG2 VAL 6 1.504 2.927 -0.663 41 HG22 VAL 6 1HG2 VAL 6 0.918 1.314 -1.060 42 HG23 VAL 6 2HG2 VAL 6 1.522 2.369 -2.334 43 H CYS 7 H CYS 7 5.279 -0.200 -3.490 44 HA CYS 7 HA CYS 7 6.676 -1.568 -1.339 45 HB2 CYS 7 2HB CYS 7 7.069 -1.802 -4.318 46 HB3 CYS 7 1HB CYS 7 8.052 -2.602 -3.088 47 H ARG 8 H ARG 8 8.445 -0.922 -0.580 48 HA ARG 8 HA ARG 8 9.858 1.275 -1.871 49 HB2 ARG 8 2HB ARG 8 8.338 2.196 -0.193 50 HB3 ARG 8 1HB ARG 8 8.996 1.107 1.014 51 HG2 ARG 8 2HG ARG 8 11.165 2.229 0.817 52 HG3 ARG 8 1HG ARG 8 10.463 3.339 -0.366 53 HD2 ARG 8 2HD ARG 8 8.833 4.079 1.294 54 HD3 ARG 8 1HD ARG 8 9.526 2.967 2.467 55 HE ARG 8 HE ARG 8 11.513 4.679 1.452 56 HH11 ARG 8 1HH1 ARG 8 8.766 4.659 3.662 57 HH12 ARG 8 2HH1 ARG 8 9.331 5.957 4.609 58 HH21 ARG 8 1HH2 ARG 8 12.308 6.434 2.763 59 HH22 ARG 8 2HH2 ARG 8 11.403 6.991 4.089 60 H ARG 9 H ARG 9 11.636 0.135 -2.390 61 HA ARG 9 HA ARG 9 13.602 -0.923 -2.227 62 HB2 ARG 9 2HB ARG 9 13.966 1.062 -0.740 63 HB3 ARG 9 1HB ARG 9 13.565 0.052 0.638 64 HG2 ARG 9 2HG ARG 9 15.518 -1.387 0.079 65 HG3 ARG 9 1HG ARG 9 15.928 -0.255 -1.214 66 HD2 ARG 9 2HD ARG 9 15.744 0.385 1.725 67 HD3 ARG 9 1HD ARG 9 17.230 0.216 0.792 68 HE ARG 9 HE ARG 9 16.389 2.130 -0.546 69 HH11 ARG 9 1HH1 ARG 9 15.351 1.756 2.844 70 HH12 ARG 9 2HH1 ARG 9 15.133 3.405 3.124 71 HH21 ARG 9 1HH2 ARG 9 16.041 4.409 -0.169 72 HH22 ARG 9 2HH2 ARG 9 15.512 4.977 1.337 73 H GLY 10 H GLY 10 11.539 -2.639 -2.017 74 HA2 GLY 10 2HA GLY 10 11.556 -4.970 -1.729 75 HA3 GLY 10 1HA GLY 10 12.742 -4.767 -0.447 76 H VAL 11 H VAL 11 10.876 -2.589 0.660 77 HA VAL 11 HA VAL 11 9.328 -4.481 2.234 78 HB VAL 11 HB VAL 11 9.731 -1.501 2.647 79 HG11 VAL 11 1HG1 VAL 11 8.894 -1.912 4.923 80 HG12 VAL 11 2HG1 VAL 11 8.602 -3.600 4.508 81 HG13 VAL 11 3HG1 VAL 11 7.689 -2.326 3.701 82 HG21 VAL 11 3HG2 VAL 11 11.842 -2.694 2.856 83 HG22 VAL 11 1HG2 VAL 11 11.111 -3.820 3.998 84 HG23 VAL 11 2HG2 VAL 11 11.294 -2.121 4.431 85 H CYS 12 H CYS 12 7.375 -4.911 1.497 86 HA CYS 12 HA CYS 12 6.012 -2.776 0.075 87 HB2 CYS 12 2HB CYS 12 5.517 -5.752 0.009 88 HB3 CYS 12 1HB CYS 12 4.548 -4.558 -0.843 89 H ARG 13 H ARG 13 4.505 -1.765 0.979 90 HA ARG 13 HA ARG 13 3.172 -2.935 3.304 91 HB2 ARG 13 2HB ARG 13 4.675 -1.040 3.810 92 HB3 ARG 13 1HB ARG 13 3.801 -0.049 2.661 93 HG2 ARG 13 2HG ARG 13 1.878 0.001 4.051 94 HG3 ARG 13 1HG ARG 13 2.545 -1.249 5.113 95 HD2 ARG 13 2HD ARG 13 3.749 1.482 4.683 96 HD3 ARG 13 1HD ARG 13 2.774 1.009 6.080 97 HE ARG 13 HE ARG 13 4.757 -0.855 5.941 98 HH11 ARG 13 1HH1 ARG 13 4.780 2.664 6.235 99 HH12 ARG 13 2HH1 ARG 13 6.191 2.720 7.185 100 HH21 ARG 13 1HH2 ARG 13 6.685 -0.805 7.228 101 HH22 ARG 13 2HH2 ARG 13 7.317 0.680 7.750 102 H CYS 14 H CYS 14 1.030 -3.196 3.052 103 HA CYS 14 HA CYS 14 -0.107 -2.019 0.631 104 HB2 CYS 14 2HB CYS 14 -1.061 -4.493 2.034 105 HB3 CYS 14 1HB CYS 14 -1.531 -3.920 0.438 106 H VAL 15 H VAL 15 -1.867 -0.925 0.675 107 HA VAL 15 HA VAL 15 -3.153 -0.458 3.283 108 HB VAL 15 HB VAL 15 -2.885 1.521 0.988 109 HG11 VAL 15 1HG1 VAL 15 -3.910 1.911 3.793 110 HG12 VAL 15 2HG1 VAL 15 -4.879 1.885 2.319 111 HG13 VAL 15 3HG1 VAL 15 -3.712 3.182 2.588 112 HG21 VAL 15 3HG2 VAL 15 -1.381 1.465 3.606 113 HG22 VAL 15 1HG2 VAL 15 -1.307 2.759 2.410 114 HG23 VAL 15 2HG2 VAL 15 -0.697 1.153 2.012 115 H CYS 16 H CYS 16 -5.395 -0.605 3.254 116 HA CYS 16 HA CYS 16 -6.512 -1.308 0.659 117 HB2 CYS 16 2HB CYS 16 -7.363 -2.290 3.383 118 HB3 CYS 16 1HB CYS 16 -8.127 -2.699 1.855 119 H ARG 17 H ARG 17 -8.419 -0.498 0.060 120 HA ARG 17 HA ARG 17 -9.885 1.084 1.976 121 HB2 ARG 17 2HB ARG 17 -8.566 2.758 0.722 122 HB3 ARG 17 1HB ARG 17 -9.235 2.154 -0.792 123 HG2 ARG 17 2HG ARG 17 -11.432 2.856 -0.205 124 HG3 ARG 17 1HG ARG 17 -10.939 3.219 1.439 125 HD2 ARG 17 2HD ARG 17 -11.199 5.256 0.246 126 HD3 ARG 17 1HD ARG 17 -9.484 5.025 0.566 127 HE ARG 17 HE ARG 17 -9.538 4.154 -1.880 128 HH11 ARG 17 1HH1 ARG 17 -11.574 6.815 -0.623 129 HH12 ARG 17 2HH1 ARG 17 -11.549 7.673 -2.095 130 HH21 ARG 17 1HH2 ARG 17 -9.527 5.407 -3.886 131 HH22 ARG 17 2HH2 ARG 17 -10.393 6.877 -3.952 132 H ARG 18 H ARG 18 -11.581 0.056 2.171 133 HA ARG 18 HA ARG 18 -13.430 -1.178 1.875 134 HB2 ARG 18 2HB ARG 18 -14.111 1.142 1.213 135 HB3 ARG 18 1HB ARG 18 -13.888 0.684 -0.469 136 HG2 ARG 18 2HG ARG 18 -15.637 -1.027 -0.228 137 HG3 ARG 18 1HG ARG 18 -15.844 -0.581 1.462 138 HD2 ARG 18 2HD ARG 18 -17.592 0.463 0.190 139 HD3 ARG 18 1HD ARG 18 -16.471 1.706 0.725 140 HE ARG 18 HE ARG 18 -15.766 0.778 -1.840 141 HH11 ARG 18 1HH1 ARG 18 -18.186 2.791 -0.226 142 HH12 ARG 18 2HH1 ARG 18 -18.513 3.761 -1.582 143 HH21 ARG 18 1HH2 ARG 18 -16.202 2.112 -3.737 144 HH22 ARG 18 2HH2 ARG 18 -17.339 3.362 -3.637 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -12.209 -2.082 1.304 2 HA2 GLY 1 2HA GLY 1 -12.604 -4.334 0.740 3 HA3 GLY 1 1HA GLY 1 -13.694 -3.788 -0.523 4 H VAL 2 H VAL 2 -11.046 -1.939 -0.932 5 HA VAL 2 HA VAL 2 -9.948 -3.779 -2.937 6 HB VAL 2 HB VAL 2 -9.756 -0.752 -2.858 7 HG11 VAL 2 1HG1 VAL 2 -9.077 -2.708 -5.051 8 HG12 VAL 2 2HG1 VAL 2 -7.932 -1.782 -4.081 9 HG13 VAL 2 3HG1 VAL 2 -9.020 -0.951 -5.198 10 HG21 VAL 2 3HG2 VAL 2 -12.083 -1.411 -3.206 11 HG22 VAL 2 1HG2 VAL 2 -11.597 -2.473 -4.529 12 HG23 VAL 2 2HG2 VAL 2 -11.408 -0.728 -4.686 13 H CYS 3 H CYS 3 -7.854 -4.369 -2.716 14 HA CYS 3 HA CYS 3 -6.386 -3.097 -0.562 15 HB2 CYS 3 2HB CYS 3 -5.965 -5.793 -1.868 16 HB3 CYS 3 1HB CYS 3 -4.978 -5.135 -0.566 17 H ARG 4 H ARG 4 -4.529 -2.087 -0.895 18 HA ARG 4 HA ARG 4 -3.397 -2.095 -3.602 19 HB2 ARG 4 2HB ARG 4 -4.699 -0.020 -3.151 20 HB3 ARG 4 1HB ARG 4 -3.683 0.285 -1.749 21 HG2 ARG 4 2HG ARG 4 -1.718 0.402 -3.262 22 HG3 ARG 4 1HG ARG 4 -2.815 0.249 -4.633 23 HD2 ARG 4 2HD ARG 4 -2.796 2.464 -2.583 24 HD3 ARG 4 1HD ARG 4 -2.250 2.584 -4.256 25 HE ARG 4 HE ARG 4 -4.953 1.721 -4.067 26 HH11 ARG 4 1HH1 ARG 4 -2.930 4.631 -4.030 27 HH12 ARG 4 2HH1 ARG 4 -4.191 5.682 -4.467 28 HH21 ARG 4 1HH2 ARG 4 -6.657 3.126 -4.650 29 HH22 ARG 4 2HH2 ARG 4 -6.405 4.798 -4.831 30 H CYS 5 H CYS 5 -1.167 -2.260 -3.610 31 HA CYS 5 HA CYS 5 0.060 -2.270 -0.965 32 HB2 CYS 5 2HB CYS 5 1.072 -3.647 -3.416 33 HB3 CYS 5 1HB CYS 5 1.779 -3.738 -1.816 34 H VAL 6 H VAL 6 1.518 -1.025 -0.477 35 HA VAL 6 HA VAL 6 2.499 0.897 -2.471 36 HB VAL 6 HB VAL 6 2.522 1.157 0.556 37 HG11 VAL 6 1HG1 VAL 6 4.201 2.509 -0.548 38 HG12 VAL 6 2HG1 VAL 6 2.932 3.528 0.136 39 HG13 VAL 6 3HG1 VAL 6 2.972 3.211 -1.601 40 HG21 VAL 6 3HG2 VAL 6 0.556 2.348 -1.403 41 HG22 VAL 6 1HG2 VAL 6 0.628 2.709 0.322 42 HG23 VAL 6 2HG2 VAL 6 0.210 1.083 -0.228 43 H CYS 7 H CYS 7 4.541 0.517 -3.084 44 HA CYS 7 HA CYS 7 6.193 -1.014 -1.242 45 HB2 CYS 7 2HB CYS 7 6.352 -0.916 -4.252 46 HB3 CYS 7 1HB CYS 7 7.471 -1.768 -3.186 47 H ARG 8 H ARG 8 7.982 -0.276 -0.566 48 HA ARG 8 HA ARG 8 9.247 1.975 -1.909 49 HB2 ARG 8 2HB ARG 8 7.865 3.054 -0.228 50 HB3 ARG 8 1HB ARG 8 8.473 1.975 1.016 51 HG2 ARG 8 2HG ARG 8 9.502 4.162 1.197 52 HG3 ARG 8 1HG ARG 8 10.704 2.948 0.764 53 HD2 ARG 8 2HD ARG 8 10.446 3.657 -1.619 54 HD3 ARG 8 1HD ARG 8 9.388 4.953 -1.069 55 HE ARG 8 HE ARG 8 11.801 5.022 0.346 56 HH11 ARG 8 1HH1 ARG 8 10.490 5.777 -2.861 57 HH12 ARG 8 2HH1 ARG 8 11.688 6.935 -3.229 58 HH21 ARG 8 1HH2 ARG 8 13.479 6.600 -0.221 59 HH22 ARG 8 2HH2 ARG 8 13.417 7.378 -1.728 60 H ARG 9 H ARG 9 11.192 1.331 -2.313 61 HA ARG 9 HA ARG 9 13.255 0.471 -2.202 62 HB2 ARG 9 2HB ARG 9 13.302 2.083 -0.239 63 HB3 ARG 9 1HB ARG 9 12.971 0.712 0.808 64 HG2 ARG 9 2HG ARG 9 15.067 -0.314 0.180 65 HG3 ARG 9 1HG ARG 9 15.385 0.983 -0.972 66 HD2 ARG 9 2HD ARG 9 16.644 1.363 1.047 67 HD3 ARG 9 1HD ARG 9 15.391 2.592 0.894 68 HE ARG 9 HE ARG 9 14.656 0.302 2.482 69 HH11 ARG 9 1HH1 ARG 9 16.125 3.524 2.571 70 HH12 ARG 9 2HH1 ARG 9 15.827 3.765 4.223 71 HH21 ARG 9 1HH2 ARG 9 14.278 0.622 4.731 72 HH22 ARG 9 2HH2 ARG 9 14.775 2.066 5.495 73 H GLY 10 H GLY 10 11.091 -1.293 -2.339 74 HA2 GLY 10 2HA GLY 10 11.132 -3.623 -2.642 75 HA3 GLY 10 1HA GLY 10 12.453 -3.716 -1.486 76 H VAL 11 H VAL 11 10.715 -1.913 0.299 77 HA VAL 11 HA VAL 11 9.415 -4.106 1.657 78 HB VAL 11 HB VAL 11 9.590 -1.167 2.402 79 HG11 VAL 11 1HG1 VAL 11 8.937 -1.907 4.658 80 HG12 VAL 11 2HG1 VAL 11 8.709 -3.544 4.045 81 HG13 VAL 11 3HG1 VAL 11 7.683 -2.239 3.464 82 HG21 VAL 11 3HG2 VAL 11 11.198 -3.515 3.402 83 HG22 VAL 11 1HG2 VAL 11 11.297 -1.859 3.997 84 HG23 VAL 11 2HG2 VAL 11 11.784 -2.231 2.340 85 H CYS 12 H CYS 12 7.474 -4.650 1.007 86 HA CYS 12 HA CYS 12 5.801 -2.549 -0.066 87 HB2 CYS 12 2HB CYS 12 5.637 -5.538 -0.423 88 HB3 CYS 12 1HB CYS 12 4.411 -4.425 -1.021 89 H ARG 13 H ARG 13 4.051 -1.924 0.956 90 HA ARG 13 HA ARG 13 3.100 -3.499 3.262 91 HB2 ARG 13 2HB ARG 13 2.933 -0.492 2.886 92 HB3 ARG 13 1HB ARG 13 2.439 -1.392 4.307 93 HG2 ARG 13 2HG ARG 13 4.780 -2.009 4.715 94 HG3 ARG 13 1HG ARG 13 5.267 -1.077 3.302 95 HD2 ARG 13 2HD ARG 13 5.637 0.283 5.230 96 HD3 ARG 13 1HD ARG 13 4.230 0.931 4.389 97 HE ARG 13 HE ARG 13 3.875 -0.916 6.625 98 HH11 ARG 13 1HH1 ARG 13 3.307 2.319 5.254 99 HH12 ARG 13 2HH1 ARG 13 2.402 2.839 6.600 100 HH21 ARG 13 1HH2 ARG 13 2.653 -0.087 8.492 101 HH22 ARG 13 2HH2 ARG 13 2.062 1.517 8.411 102 H CYS 14 H CYS 14 1.167 -4.372 2.744 103 HA CYS 14 HA CYS 14 -0.448 -2.983 0.771 104 HB2 CYS 14 2HB CYS 14 -0.851 -5.724 1.916 105 HB3 CYS 14 1HB CYS 14 -1.727 -5.025 0.565 106 H VAL 15 H VAL 15 -2.267 -2.160 1.065 107 HA VAL 15 HA VAL 15 -3.378 -1.994 3.795 108 HB VAL 15 HB VAL 15 -3.177 0.221 1.719 109 HG11 VAL 15 1HG1 VAL 15 -4.134 0.327 4.563 110 HG12 VAL 15 2HG1 VAL 15 -5.133 0.456 3.115 111 HG13 VAL 15 3HG1 VAL 15 -3.945 1.707 3.483 112 HG21 VAL 15 3HG2 VAL 15 -0.975 -0.229 2.631 113 HG22 VAL 15 1HG2 VAL 15 -1.608 -0.118 4.276 114 HG23 VAL 15 2HG2 VAL 15 -1.586 1.311 3.246 115 H CYS 16 H CYS 16 -5.632 -2.208 3.826 116 HA CYS 16 HA CYS 16 -6.893 -2.409 1.194 117 HB2 CYS 16 2HB CYS 16 -7.618 -4.026 3.639 118 HB3 CYS 16 1HB CYS 16 -8.411 -4.035 2.060 119 H ARG 17 H ARG 17 -8.540 -1.224 0.822 120 HA ARG 17 HA ARG 17 -10.117 -0.250 3.028 121 HB2 ARG 17 2HB ARG 17 -9.835 2.088 2.634 122 HB3 ARG 17 1HB ARG 17 -8.241 1.393 2.791 123 HG2 ARG 17 2HG ARG 17 -7.936 1.456 0.380 124 HG3 ARG 17 1HG ARG 17 -9.561 2.107 0.176 125 HD2 ARG 17 2HD ARG 17 -8.865 4.031 1.639 126 HD3 ARG 17 1HD ARG 17 -7.221 3.404 1.551 127 HE ARG 17 HE ARG 17 -8.406 3.757 -1.011 128 HH11 ARG 17 1HH1 ARG 17 -6.771 5.492 1.586 129 HH12 ARG 17 2HH1 ARG 17 -6.144 6.707 0.562 130 HH21 ARG 17 1HH2 ARG 17 -7.666 5.458 -2.373 131 HH22 ARG 17 2HH2 ARG 17 -6.720 6.725 -1.733 132 H ARG 18 H ARG 18 -12.198 0.251 2.448 133 HA ARG 18 HA ARG 18 -14.118 0.200 1.242 134 HB2 ARG 18 2HB ARG 18 -13.155 2.168 0.093 135 HB3 ARG 18 1HB ARG 18 -12.288 1.114 -1.005 136 HG2 ARG 18 2HG ARG 18 -14.461 0.337 -1.894 137 HG3 ARG 18 1HG ARG 18 -15.265 1.493 -0.836 138 HD2 ARG 18 2HD ARG 18 -14.291 3.320 -1.956 139 HD3 ARG 18 1HD ARG 18 -13.196 2.274 -2.867 140 HE ARG 18 HE ARG 18 -15.509 1.330 -3.659 141 HH11 ARG 18 1HH1 ARG 18 -14.612 4.727 -3.233 142 HH12 ARG 18 2HH1 ARG 18 -15.596 5.302 -4.479 143 HH21 ARG 18 1HH2 ARG 18 -16.823 2.079 -5.394 144 HH22 ARG 18 2HH2 ARG 18 -16.897 3.729 -5.780 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -11.771 -2.350 0.725 2 HA2 GLY 1 2HA GLY 1 -12.331 -4.400 -0.280 3 HA3 GLY 1 1HA GLY 1 -13.214 -3.523 -1.508 4 H VAL 2 H VAL 2 -10.482 -1.825 -1.566 5 HA VAL 2 HA VAL 2 -9.211 -3.729 -3.416 6 HB VAL 2 HB VAL 2 -9.159 -0.696 -3.579 7 HG11 VAL 2 1HG1 VAL 2 -8.111 -1.037 -5.768 8 HG12 VAL 2 2HG1 VAL 2 -8.120 -2.778 -5.495 9 HG13 VAL 2 3HG1 VAL 2 -7.136 -1.734 -4.470 10 HG21 VAL 2 3HG2 VAL 2 -10.568 -0.938 -5.571 11 HG22 VAL 2 1HG2 VAL 2 -11.373 -1.568 -4.133 12 HG23 VAL 2 2HG2 VAL 2 -10.654 -2.677 -5.301 13 H CYS 3 H CYS 3 -7.237 -4.369 -2.822 14 HA CYS 3 HA CYS 3 -5.811 -2.730 -0.860 15 HB2 CYS 3 2HB CYS 3 -5.574 -5.685 -1.419 16 HB3 CYS 3 1HB CYS 3 -4.611 -4.793 -0.251 17 H ARG 4 H ARG 4 -4.130 -1.702 -1.497 18 HA ARG 4 HA ARG 4 -2.674 -2.732 -3.847 19 HB2 ARG 4 2HB ARG 4 -2.927 0.122 -2.894 20 HB3 ARG 4 1HB ARG 4 -1.893 -0.406 -4.215 21 HG2 ARG 4 2HG ARG 4 -3.910 -1.148 -5.438 22 HG3 ARG 4 1HG ARG 4 -4.900 -0.499 -4.126 23 HD2 ARG 4 2HD ARG 4 -3.918 1.708 -4.492 24 HD3 ARG 4 1HD ARG 4 -2.948 1.055 -5.806 25 HE ARG 4 HE ARG 4 -5.657 0.521 -6.268 26 HH11 ARG 4 1HH1 ARG 4 -3.332 3.183 -6.342 27 HH12 ARG 4 2HH1 ARG 4 -4.222 4.155 -7.416 28 HH21 ARG 4 1HH2 ARG 4 -6.919 1.862 -7.771 29 HH22 ARG 4 2HH2 ARG 4 -6.290 3.376 -8.240 30 H CYS 5 H CYS 5 -0.476 -2.972 -3.649 31 HA CYS 5 HA CYS 5 0.544 -2.332 -0.988 32 HB2 CYS 5 2HB CYS 5 1.571 -4.523 -2.743 33 HB3 CYS 5 1HB CYS 5 2.020 -4.161 -1.086 34 H VAL 6 H VAL 6 2.017 -1.080 -0.856 35 HA VAL 6 HA VAL 6 3.359 -0.110 -3.289 36 HB VAL 6 HB VAL 6 3.025 1.365 -0.654 37 HG11 VAL 6 1HG1 VAL 6 3.723 3.342 -1.934 38 HG12 VAL 6 2HG1 VAL 6 3.972 2.327 -3.354 39 HG13 VAL 6 3HG1 VAL 6 4.969 2.094 -1.917 40 HG21 VAL 6 3HG2 VAL 6 1.348 2.754 -1.812 41 HG22 VAL 6 1HG2 VAL 6 0.847 1.064 -1.714 42 HG23 VAL 6 2HG2 VAL 6 1.478 1.713 -3.227 43 H CYS 7 H CYS 7 5.498 -0.371 -3.396 44 HA CYS 7 HA CYS 7 6.728 -1.488 -1.010 45 HB2 CYS 7 2HB CYS 7 7.518 -1.932 -3.888 46 HB3 CYS 7 1HB CYS 7 8.223 -2.705 -2.469 47 H ARG 8 H ARG 8 8.423 -0.722 -0.184 48 HA ARG 8 HA ARG 8 9.783 1.536 -1.470 49 HB2 ARG 8 2HB ARG 8 8.323 2.345 0.304 50 HB3 ARG 8 1HB ARG 8 8.991 1.165 1.420 51 HG2 ARG 8 2HG ARG 8 11.143 2.280 1.339 52 HG3 ARG 8 1HG ARG 8 10.501 3.456 0.187 53 HD2 ARG 8 2HD ARG 8 8.825 4.145 1.822 54 HD3 ARG 8 1HD ARG 8 9.474 2.987 2.976 55 HE ARG 8 HE ARG 8 11.611 4.340 2.656 56 HH11 ARG 8 1HH1 ARG 8 8.363 5.749 2.507 57 HH12 ARG 8 2HH1 ARG 8 8.810 7.204 3.272 58 HH21 ARG 8 1HH2 ARG 8 12.213 6.405 3.672 59 HH22 ARG 8 2HH2 ARG 8 10.994 7.579 3.929 60 H ARG 9 H ARG 9 11.658 0.682 -2.039 61 HA ARG 9 HA ARG 9 13.613 -0.372 -2.047 62 HB2 ARG 9 2HB ARG 9 14.056 1.262 -0.224 63 HB3 ARG 9 1HB ARG 9 13.529 0.078 0.956 64 HG2 ARG 9 2HG ARG 9 15.425 -1.378 0.294 65 HG3 ARG 9 1HG ARG 9 15.938 -0.157 -0.865 66 HD2 ARG 9 2HD ARG 9 15.732 0.251 2.117 67 HD3 ARG 9 1HD ARG 9 17.224 -0.072 1.239 68 HE ARG 9 HE ARG 9 16.330 2.076 -0.021 69 HH11 ARG 9 1HH1 ARG 9 16.644 1.425 3.449 70 HH12 ARG 9 2HH1 ARG 9 16.902 3.044 3.881 71 HH21 ARG 9 1HH2 ARG 9 16.682 4.304 0.576 72 HH22 ARG 9 2HH2 ARG 9 16.851 4.739 2.209 73 H GLY 10 H GLY 10 11.425 -1.969 -2.138 74 HA2 GLY 10 2HA GLY 10 11.229 -4.286 -2.359 75 HA3 GLY 10 1HA GLY 10 12.596 -4.477 -1.274 76 H VAL 11 H VAL 11 10.972 -2.491 0.528 77 HA VAL 11 HA VAL 11 9.614 -4.611 1.984 78 HB VAL 11 HB VAL 11 9.948 -1.685 2.718 79 HG11 VAL 11 1HG1 VAL 11 9.232 -4.070 4.422 80 HG12 VAL 11 2HG1 VAL 11 8.138 -2.777 3.933 81 HG13 VAL 11 3HG1 VAL 11 9.488 -2.430 5.015 82 HG21 VAL 11 3HG2 VAL 11 11.640 -4.042 3.535 83 HG22 VAL 11 1HG2 VAL 11 11.809 -2.395 4.141 84 HG23 VAL 11 2HG2 VAL 11 12.128 -2.743 2.443 85 H CYS 12 H CYS 12 7.535 -4.968 1.560 86 HA CYS 12 HA CYS 12 6.084 -2.812 0.254 87 HB2 CYS 12 2HB CYS 12 5.504 -5.771 0.272 88 HB3 CYS 12 1HB CYS 12 4.598 -4.552 -0.615 89 H ARG 13 H ARG 13 4.489 -1.813 1.218 90 HA ARG 13 HA ARG 13 3.181 -3.194 3.445 91 HB2 ARG 13 2HB ARG 13 2.560 -0.985 4.380 92 HB3 ARG 13 1HB ARG 13 4.301 -1.156 4.272 93 HG2 ARG 13 2HG ARG 13 4.394 0.317 2.385 94 HG3 ARG 13 1HG ARG 13 2.635 0.335 2.255 95 HD2 ARG 13 2HD ARG 13 3.426 2.386 3.320 96 HD3 ARG 13 1HD ARG 13 2.484 1.420 4.445 97 HE ARG 13 HE ARG 13 5.346 1.052 4.540 98 HH11 ARG 13 1HH1 ARG 13 2.591 2.842 5.880 99 HH12 ARG 13 2HH1 ARG 13 3.358 3.217 7.353 100 HH21 ARG 13 1HH2 ARG 13 6.404 1.610 6.569 101 HH22 ARG 13 2HH2 ARG 13 5.561 2.512 7.748 102 H CYS 14 H CYS 14 0.961 -3.311 3.394 103 HA CYS 14 HA CYS 14 -0.155 -2.486 0.830 104 HB2 CYS 14 2HB CYS 14 -1.156 -4.689 2.619 105 HB3 CYS 14 1HB CYS 14 -1.767 -4.270 1.035 106 H VAL 15 H VAL 15 -1.900 -1.388 0.671 107 HA VAL 15 HA VAL 15 -3.152 -0.409 3.128 108 HB VAL 15 HB VAL 15 -2.746 1.110 0.525 109 HG11 VAL 15 1HG1 VAL 15 -3.617 3.059 1.735 110 HG12 VAL 15 2HG1 VAL 15 -3.905 2.051 3.151 111 HG13 VAL 15 3HG1 VAL 15 -4.800 1.753 1.662 112 HG21 VAL 15 3HG2 VAL 15 -0.632 0.883 1.726 113 HG22 VAL 15 1HG2 VAL 15 -1.378 1.513 3.192 114 HG23 VAL 15 2HG2 VAL 15 -1.198 2.555 1.781 115 H CYS 16 H CYS 16 -5.122 -1.195 3.212 116 HA CYS 16 HA CYS 16 -6.460 -1.779 0.715 117 HB2 CYS 16 2HB CYS 16 -7.197 -2.648 3.514 118 HB3 CYS 16 1HB CYS 16 -8.070 -3.025 2.020 119 H ARG 17 H ARG 17 -8.014 -0.695 0.007 120 HA ARG 17 HA ARG 17 -9.359 1.230 1.719 121 HB2 ARG 17 2HB ARG 17 -7.671 2.497 0.529 122 HB3 ARG 17 1HB ARG 17 -8.160 1.790 -0.999 123 HG2 ARG 17 2HG ARG 17 -8.976 4.069 -0.801 124 HG3 ARG 17 1HG ARG 17 -10.318 2.925 -0.843 125 HD2 ARG 17 2HD ARG 17 -10.425 3.058 1.640 126 HD3 ARG 17 1HD ARG 17 -9.190 4.317 1.591 127 HE ARG 17 HE ARG 17 -11.142 5.166 -0.103 128 HH11 ARG 17 1HH1 ARG 17 -11.034 4.288 3.331 129 HH12 ARG 17 2HH1 ARG 17 -12.315 5.300 3.791 130 HH21 ARG 17 1HH2 ARG 17 -12.929 6.574 0.526 131 HH22 ARG 17 2HH2 ARG 17 -13.417 6.624 2.158 132 H ARG 18 H ARG 18 -11.245 0.327 1.818 133 HA ARG 18 HA ARG 18 -13.314 -0.352 1.342 134 HB2 ARG 18 2HB ARG 18 -13.268 2.039 0.560 135 HB3 ARG 18 1HB ARG 18 -13.020 1.444 -1.071 136 HG2 ARG 18 2HG ARG 18 -15.179 0.342 -1.028 137 HG3 ARG 18 1HG ARG 18 -15.421 0.845 0.648 138 HD2 ARG 18 2HD ARG 18 -15.299 3.200 -0.076 139 HD3 ARG 18 1HD ARG 18 -15.138 2.649 -1.744 140 HE ARG 18 HE ARG 18 -17.395 1.457 -0.765 141 HH11 ARG 18 1HH1 ARG 18 -16.280 4.788 -1.342 142 HH12 ARG 18 2HH1 ARG 18 -17.832 5.419 -1.559 143 HH21 ARG 18 1HH2 ARG 18 -19.569 2.369 -1.074 144 HH22 ARG 18 2HH2 ARG 18 -19.728 4.032 -1.405 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -12.033 -2.947 0.403 2 HA2 GLY 1 2HA GLY 1 -12.110 -4.995 -0.731 3 HA3 GLY 1 1HA GLY 1 -13.140 -4.263 -1.947 4 H VAL 2 H VAL 2 -10.902 -2.011 -1.766 5 HA VAL 2 HA VAL 2 -9.301 -3.290 -3.857 6 HB VAL 2 HB VAL 2 -9.600 -0.339 -3.214 7 HG11 VAL 2 1HG1 VAL 2 -8.290 -1.693 -5.570 8 HG12 VAL 2 2HG1 VAL 2 -7.466 -0.824 -4.276 9 HG13 VAL 2 3HG1 VAL 2 -8.523 0.045 -5.390 10 HG21 VAL 2 3HG2 VAL 2 -10.954 -0.207 -5.274 11 HG22 VAL 2 1HG2 VAL 2 -11.702 -1.235 -4.051 12 HG23 VAL 2 2HG2 VAL 2 -10.868 -1.956 -5.428 13 H CYS 3 H CYS 3 -7.291 -3.886 -3.327 14 HA CYS 3 HA CYS 3 -6.147 -2.603 -1.004 15 HB2 CYS 3 2HB CYS 3 -5.690 -5.388 -2.095 16 HB3 CYS 3 1HB CYS 3 -4.677 -4.663 -0.859 17 H ARG 4 H ARG 4 -4.405 -1.444 -1.301 18 HA ARG 4 HA ARG 4 -2.967 -1.618 -3.845 19 HB2 ARG 4 2HB ARG 4 -4.203 0.474 -3.529 20 HB3 ARG 4 1HB ARG 4 -3.409 0.717 -1.986 21 HG2 ARG 4 2HG ARG 4 -1.270 0.985 -3.111 22 HG3 ARG 4 1HG ARG 4 -2.045 0.696 -4.674 23 HD2 ARG 4 2HD ARG 4 -3.446 2.647 -4.365 24 HD3 ARG 4 1HD ARG 4 -2.747 2.927 -2.776 25 HE ARG 4 HE ARG 4 -0.620 2.929 -4.450 26 HH11 ARG 4 1HH1 ARG 4 -3.686 4.700 -4.450 27 HH12 ARG 4 2HH1 ARG 4 -3.028 6.145 -5.044 28 HH21 ARG 4 1HH2 ARG 4 0.300 4.974 -5.297 29 HH22 ARG 4 2HH2 ARG 4 -0.760 6.293 -5.548 30 H CYS 5 H CYS 5 -1.097 -2.641 -3.513 31 HA CYS 5 HA CYS 5 0.294 -2.220 -0.969 32 HB2 CYS 5 2HB CYS 5 0.839 -4.301 -3.081 33 HB3 CYS 5 1HB CYS 5 1.563 -4.209 -1.483 34 H VAL 6 H VAL 6 2.273 -1.380 -0.923 35 HA VAL 6 HA VAL 6 3.531 -0.635 -3.445 36 HB VAL 6 HB VAL 6 2.244 1.338 -2.646 37 HG11 VAL 6 1HG1 VAL 6 2.231 0.963 -0.282 38 HG12 VAL 6 2HG1 VAL 6 2.925 2.545 -0.626 39 HG13 VAL 6 3HG1 VAL 6 3.976 1.192 -0.200 40 HG21 VAL 6 3HG2 VAL 6 5.237 1.691 -2.483 41 HG22 VAL 6 1HG2 VAL 6 4.076 3.000 -2.702 42 HG23 VAL 6 2HG2 VAL 6 4.249 1.759 -3.939 43 H CYS 7 H CYS 7 5.796 -0.676 -3.366 44 HA CYS 7 HA CYS 7 6.782 -1.775 -0.880 45 HB2 CYS 7 2HB CYS 7 7.999 -2.038 -3.630 46 HB3 CYS 7 1HB CYS 7 8.626 -2.716 -2.123 47 H ARG 8 H ARG 8 8.142 -0.912 0.289 48 HA ARG 8 HA ARG 8 9.489 1.535 -0.552 49 HB2 ARG 8 2HB ARG 8 7.658 2.065 0.944 50 HB3 ARG 8 1HB ARG 8 8.166 0.822 2.069 51 HG2 ARG 8 2HG ARG 8 8.727 3.043 2.897 52 HG3 ARG 8 1HG ARG 8 10.181 2.099 2.577 53 HD2 ARG 8 2HD ARG 8 10.593 3.279 0.562 54 HD3 ARG 8 1HD ARG 8 9.039 4.108 0.636 55 HE ARG 8 HE ARG 8 10.219 4.798 2.946 56 HH11 ARG 8 1HH1 ARG 8 11.410 4.901 -0.376 57 HH12 ARG 8 2HH1 ARG 8 12.318 6.317 -0.184 58 HH21 ARG 8 1HH2 ARG 8 11.397 6.780 3.239 59 HH22 ARG 8 2HH2 ARG 8 12.310 7.432 1.970 60 H ARG 9 H ARG 9 11.349 0.427 -1.057 61 HA ARG 9 HA ARG 9 13.397 -0.404 -0.750 62 HB2 ARG 9 2HB ARG 9 13.489 1.639 0.648 63 HB3 ARG 9 1HB ARG 9 13.052 0.686 2.056 64 HG2 ARG 9 2HG ARG 9 15.445 1.157 2.004 65 HG3 ARG 9 1HG ARG 9 15.149 -0.575 1.833 66 HD2 ARG 9 2HD ARG 9 16.885 0.228 0.291 67 HD3 ARG 9 1HD ARG 9 15.488 -0.425 -0.561 68 HE ARG 9 HE ARG 9 15.750 2.464 -0.131 69 HH11 ARG 9 1HH1 ARG 9 15.486 -0.273 -2.389 70 HH12 ARG 9 2HH1 ARG 9 15.332 0.710 -3.756 71 HH21 ARG 9 1HH2 ARG 9 15.541 3.785 -2.033 72 HH22 ARG 9 2HH2 ARG 9 15.370 3.063 -3.562 73 H GLY 10 H GLY 10 11.713 -2.388 -0.744 74 HA2 GLY 10 2HA GLY 10 12.019 -4.681 -0.349 75 HA3 GLY 10 1HA GLY 10 12.939 -4.293 1.092 76 H VAL 11 H VAL 11 10.629 -2.380 1.819 77 HA VAL 11 HA VAL 11 9.057 -4.452 3.149 78 HB VAL 11 HB VAL 11 9.116 -1.456 3.634 79 HG11 VAL 11 1HG1 VAL 11 7.937 -3.676 5.305 80 HG12 VAL 11 2HG1 VAL 11 7.036 -2.487 4.373 81 HG13 VAL 11 3HG1 VAL 11 8.002 -1.975 5.757 82 HG21 VAL 11 3HG2 VAL 11 10.517 -3.670 5.130 83 HG22 VAL 11 1HG2 VAL 11 10.451 -1.981 5.640 84 HG23 VAL 11 2HG2 VAL 11 11.279 -2.423 4.143 85 H CYS 12 H CYS 12 7.294 -5.031 1.986 86 HA CYS 12 HA CYS 12 5.978 -2.937 0.451 87 HB2 CYS 12 2HB CYS 12 5.578 -5.934 0.301 88 HB3 CYS 12 1HB CYS 12 4.859 -4.734 -0.763 89 H ARG 13 H ARG 13 4.285 -2.052 1.116 90 HA ARG 13 HA ARG 13 2.882 -3.349 3.342 91 HB2 ARG 13 2HB ARG 13 2.369 -1.129 4.241 92 HB3 ARG 13 1HB ARG 13 4.097 -1.372 4.101 93 HG2 ARG 13 2HG ARG 13 4.046 -0.009 2.003 94 HG3 ARG 13 1HG ARG 13 2.341 0.319 2.327 95 HD2 ARG 13 2HD ARG 13 3.006 1.229 4.548 96 HD3 ARG 13 1HD ARG 13 4.684 1.019 4.082 97 HE ARG 13 HE ARG 13 2.917 2.714 2.473 98 HH11 ARG 13 1HH1 ARG 13 5.887 2.377 4.372 99 HH12 ARG 13 2HH1 ARG 13 6.299 4.021 4.282 100 HH21 ARG 13 1HH2 ARG 13 3.530 5.034 2.357 101 HH22 ARG 13 2HH2 ARG 13 4.980 5.515 3.097 102 H CYS 14 H CYS 14 0.716 -3.516 3.267 103 HA CYS 14 HA CYS 14 -0.525 -2.581 0.797 104 HB2 CYS 14 2HB CYS 14 -1.273 -4.908 2.510 105 HB3 CYS 14 1HB CYS 14 -2.112 -4.410 1.058 106 H VAL 15 H VAL 15 -2.154 -1.427 0.852 107 HA VAL 15 HA VAL 15 -3.491 -0.807 3.400 108 HB VAL 15 HB VAL 15 -3.049 1.019 1.001 109 HG11 VAL 15 1HG1 VAL 15 -4.358 1.608 3.656 110 HG12 VAL 15 2HG1 VAL 15 -5.166 1.502 2.092 111 HG13 VAL 15 3HG1 VAL 15 -4.013 2.796 2.398 112 HG21 VAL 15 3HG2 VAL 15 -1.826 1.100 3.755 113 HG22 VAL 15 1HG2 VAL 15 -1.607 2.331 2.512 114 HG23 VAL 15 2HG2 VAL 15 -0.993 0.700 2.250 115 H CYS 16 H CYS 16 -5.655 -1.228 3.351 116 HA CYS 16 HA CYS 16 -6.791 -1.795 0.703 117 HB2 CYS 16 2HB CYS 16 -7.348 -3.260 3.278 118 HB3 CYS 16 1HB CYS 16 -8.214 -3.492 1.760 119 H ARG 17 H ARG 17 -8.616 -0.928 0.202 120 HA ARG 17 HA ARG 17 -10.356 0.095 2.284 121 HB2 ARG 17 2HB ARG 17 -8.922 2.018 1.813 122 HB3 ARG 17 1HB ARG 17 -9.312 1.914 0.106 123 HG2 ARG 17 2HG ARG 17 -11.604 2.481 0.525 124 HG3 ARG 17 1HG ARG 17 -11.344 2.433 2.270 125 HD2 ARG 17 2HD ARG 17 -10.056 4.351 0.331 126 HD3 ARG 17 1HD ARG 17 -11.402 4.725 1.414 127 HE ARG 17 HE ARG 17 -8.765 3.884 2.415 128 HH11 ARG 17 1HH1 ARG 17 -11.473 6.181 2.485 129 HH12 ARG 17 2HH1 ARG 17 -10.819 7.096 3.757 130 HH21 ARG 17 1HH2 ARG 17 -7.860 5.168 4.102 131 HH22 ARG 17 2HH2 ARG 17 -8.716 6.534 4.674 132 H ARG 18 H ARG 18 -12.244 -0.618 1.906 133 HA ARG 18 HA ARG 18 -14.149 -1.309 0.990 134 HB2 ARG 18 2HB ARG 18 -14.150 1.148 0.377 135 HB3 ARG 18 1HB ARG 18 -13.593 0.680 -1.223 136 HG2 ARG 18 2HG ARG 18 -15.629 -0.690 -1.491 137 HG3 ARG 18 1HG ARG 18 -16.185 -0.106 0.077 138 HD2 ARG 18 2HD ARG 18 -16.169 2.182 -0.771 139 HD3 ARG 18 1HD ARG 18 -15.607 1.590 -2.336 140 HE ARG 18 HE ARG 18 -18.091 0.542 -1.248 141 HH11 ARG 18 1HH1 ARG 18 -16.496 2.542 -3.696 142 HH12 ARG 18 2HH1 ARG 18 -17.873 2.673 -4.677 143 HH21 ARG 18 1HH2 ARG 18 -19.964 0.718 -2.600 144 HH22 ARG 18 2HH2 ARG 18 -19.898 1.599 -4.048 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -11.884 -3.688 0.223 2 HA2 GLY 1 2HA GLY 1 -11.706 -5.462 -1.295 3 HA3 GLY 1 1HA GLY 1 -12.779 -4.607 -2.381 4 H VAL 2 H VAL 2 -10.962 -2.153 -1.881 5 HA VAL 2 HA VAL 2 -9.145 -2.924 -4.015 6 HB VAL 2 HB VAL 2 -9.907 -0.152 -3.057 7 HG11 VAL 2 1HG1 VAL 2 -7.663 -0.219 -4.032 8 HG12 VAL 2 2HG1 VAL 2 -8.783 0.631 -5.088 9 HG13 VAL 2 3HG1 VAL 2 -8.303 -1.029 -5.462 10 HG21 VAL 2 3HG2 VAL 2 -11.770 -1.296 -4.124 11 HG22 VAL 2 1HG2 VAL 2 -10.756 -1.682 -5.511 12 HG23 VAL 2 2HG2 VAL 2 -11.157 -0.005 -5.164 13 H CYS 3 H CYS 3 -7.310 -3.645 -3.280 14 HA CYS 3 HA CYS 3 -6.091 -2.299 -1.026 15 HB2 CYS 3 2HB CYS 3 -5.513 -4.973 -2.302 16 HB3 CYS 3 1HB CYS 3 -4.527 -4.263 -1.032 17 H ARG 4 H ARG 4 -4.524 -0.955 -1.439 18 HA ARG 4 HA ARG 4 -3.084 -1.319 -3.984 19 HB2 ARG 4 2HB ARG 4 -3.384 1.257 -2.414 20 HB3 ARG 4 1HB ARG 4 -2.426 1.068 -3.875 21 HG2 ARG 4 2HG ARG 4 -4.565 0.411 -5.047 22 HG3 ARG 4 1HG ARG 4 -5.415 0.929 -3.594 23 HD2 ARG 4 2HD ARG 4 -3.635 2.630 -5.342 24 HD3 ARG 4 1HD ARG 4 -5.386 2.731 -5.217 25 HE ARG 4 HE ARG 4 -4.589 3.131 -2.686 26 HH11 ARG 4 1HH1 ARG 4 -3.734 4.692 -5.749 27 HH12 ARG 4 2HH1 ARG 4 -3.328 6.178 -5.040 28 HH21 ARG 4 1HH2 ARG 4 -3.989 5.200 -1.699 29 HH22 ARG 4 2HH2 ARG 4 -3.443 6.462 -2.697 30 H CYS 5 H CYS 5 -1.144 -2.104 -3.800 31 HA CYS 5 HA CYS 5 0.228 -1.797 -1.235 32 HB2 CYS 5 2HB CYS 5 0.626 -3.873 -3.373 33 HB3 CYS 5 1HB CYS 5 1.471 -3.797 -1.839 34 H VAL 6 H VAL 6 2.222 -1.079 -1.172 35 HA VAL 6 HA VAL 6 3.579 -0.428 -3.661 36 HB VAL 6 HB VAL 6 2.419 1.623 -2.891 37 HG11 VAL 6 1HG1 VAL 6 4.040 1.367 -0.369 38 HG12 VAL 6 2HG1 VAL 6 2.289 1.207 -0.524 39 HG13 VAL 6 3HG1 VAL 6 3.064 2.762 -0.827 40 HG21 VAL 6 3HG2 VAL 6 5.419 1.748 -2.592 41 HG22 VAL 6 1HG2 VAL 6 4.367 3.140 -2.858 42 HG23 VAL 6 2HG2 VAL 6 4.506 1.887 -4.093 43 H CYS 7 H CYS 7 5.764 -0.733 -3.558 44 HA CYS 7 HA CYS 7 6.754 -1.713 -0.998 45 HB2 CYS 7 2HB CYS 7 7.561 -2.525 -3.786 46 HB3 CYS 7 1HB CYS 7 8.384 -3.037 -2.318 47 H ARG 8 H ARG 8 8.621 -1.034 -0.228 48 HA ARG 8 HA ARG 8 10.331 0.616 -1.899 49 HB2 ARG 8 2HB ARG 8 8.870 2.198 -0.648 50 HB3 ARG 8 1HB ARG 8 9.437 1.485 0.847 51 HG2 ARG 8 2HG ARG 8 11.661 2.260 0.486 52 HG3 ARG 8 1HG ARG 8 11.266 2.789 -1.147 53 HD2 ARG 8 2HD ARG 8 11.357 4.677 0.387 54 HD3 ARG 8 1HD ARG 8 9.731 4.447 -0.245 55 HE ARG 8 HE ARG 8 10.345 3.216 2.290 56 HH11 ARG 8 1HH1 ARG 8 8.767 5.917 0.586 57 HH12 ARG 8 2HH1 ARG 8 7.928 6.469 1.958 58 HH21 ARG 8 1HH2 ARG 8 9.147 3.975 4.139 59 HH22 ARG 8 2HH2 ARG 8 8.131 5.329 4.019 60 H ARG 9 H ARG 9 11.960 -0.709 -1.939 61 HA ARG 9 HA ARG 9 13.896 -1.664 -1.360 62 HB2 ARG 9 2HB ARG 9 14.146 0.619 -0.305 63 HB3 ARG 9 1HB ARG 9 13.659 -0.098 1.214 64 HG2 ARG 9 2HG ARG 9 15.638 -1.437 1.293 65 HG3 ARG 9 1HG ARG 9 16.081 -0.960 -0.352 66 HD2 ARG 9 2HD ARG 9 16.225 1.372 0.381 67 HD3 ARG 9 1HD ARG 9 15.852 0.873 2.025 68 HE ARG 9 HE ARG 9 17.940 -0.422 1.939 69 HH11 ARG 9 1HH1 ARG 9 17.598 2.220 -0.410 70 HH12 ARG 9 2HH1 ARG 9 19.260 2.610 -0.395 71 HH21 ARG 9 1HH2 ARG 9 20.193 0.134 1.923 72 HH22 ARG 9 2HH2 ARG 9 20.766 1.413 0.958 73 H GLY 10 H GLY 10 11.703 -3.169 -0.979 74 HA2 GLY 10 2HA GLY 10 11.500 -5.378 -0.267 75 HA3 GLY 10 1HA GLY 10 12.644 -5.066 1.021 76 H VAL 11 H VAL 11 10.799 -2.536 1.470 77 HA VAL 11 HA VAL 11 9.048 -3.946 3.327 78 HB VAL 11 HB VAL 11 9.567 -0.963 3.076 79 HG11 VAL 11 1HG1 VAL 11 8.598 -0.821 5.331 80 HG12 VAL 11 2HG1 VAL 11 8.266 -2.555 5.283 81 HG13 VAL 11 3HG1 VAL 11 7.449 -1.466 4.158 82 HG21 VAL 11 3HG2 VAL 11 10.790 -2.946 4.998 83 HG22 VAL 11 1HG2 VAL 11 11.011 -1.196 5.048 84 HG23 VAL 11 2HG2 VAL 11 11.627 -2.120 3.683 85 H CYS 12 H CYS 12 7.139 -4.478 2.520 86 HA CYS 12 HA CYS 12 6.011 -2.704 0.522 87 HB2 CYS 12 2HB CYS 12 5.519 -5.654 0.955 88 HB3 CYS 12 1HB CYS 12 4.666 -4.669 -0.230 89 H ARG 13 H ARG 13 4.219 -1.671 0.971 90 HA ARG 13 HA ARG 13 2.720 -2.475 3.375 91 HB2 ARG 13 2HB ARG 13 3.270 0.315 2.348 92 HB3 ARG 13 1HB ARG 13 2.220 -0.069 3.703 93 HG2 ARG 13 2HG ARG 13 4.129 -0.983 4.924 94 HG3 ARG 13 1HG ARG 13 5.180 -0.617 3.559 95 HD2 ARG 13 2HD ARG 13 3.581 1.412 5.104 96 HD3 ARG 13 1HD ARG 13 5.293 1.083 5.364 97 HE ARG 13 HE ARG 13 5.409 1.678 2.863 98 HH11 ARG 13 1HH1 ARG 13 3.286 3.267 5.221 99 HH12 ARG 13 2HH1 ARG 13 3.318 4.775 4.426 100 HH21 ARG 13 1HH2 ARG 13 5.496 3.792 1.822 101 HH22 ARG 13 2HH2 ARG 13 4.647 5.093 2.495 102 H CYS 14 H CYS 14 0.549 -2.642 3.148 103 HA CYS 14 HA CYS 14 -0.595 -1.788 0.581 104 HB2 CYS 14 2HB CYS 14 -1.447 -4.141 2.251 105 HB3 CYS 14 1HB CYS 14 -2.172 -3.627 0.748 106 H VAL 15 H VAL 15 -2.360 -0.704 0.627 107 HA VAL 15 HA VAL 15 -3.697 -0.254 3.207 108 HB VAL 15 HB VAL 15 -3.637 1.606 0.797 109 HG11 VAL 15 1HG1 VAL 15 -4.714 3.231 2.283 110 HG12 VAL 15 2HG1 VAL 15 -4.781 2.016 3.559 111 HG13 VAL 15 3HG1 VAL 15 -5.703 1.785 2.072 112 HG21 VAL 15 3HG2 VAL 15 -2.226 1.893 3.454 113 HG22 VAL 15 1HG2 VAL 15 -2.264 3.108 2.179 114 HG23 VAL 15 2HG2 VAL 15 -1.455 1.560 1.906 115 H CYS 16 H CYS 16 -5.582 -1.311 3.233 116 HA CYS 16 HA CYS 16 -6.845 -1.814 0.673 117 HB2 CYS 16 2HB CYS 16 -7.075 -3.354 3.256 118 HB3 CYS 16 1HB CYS 16 -8.045 -3.648 1.815 119 H ARG 17 H ARG 17 -8.765 -1.122 0.276 120 HA ARG 17 HA ARG 17 -10.538 -0.424 2.446 121 HB2 ARG 17 2HB ARG 17 -9.296 1.649 2.078 122 HB3 ARG 17 1HB ARG 17 -9.737 1.623 0.380 123 HG2 ARG 17 2HG ARG 17 -12.077 1.930 0.948 124 HG3 ARG 17 1HG ARG 17 -11.685 1.864 2.665 125 HD2 ARG 17 2HD ARG 17 -11.952 4.175 1.864 126 HD3 ARG 17 1HD ARG 17 -10.330 3.857 2.479 127 HE ARG 17 HE ARG 17 -10.754 3.538 -0.357 128 HH11 ARG 17 1HH1 ARG 17 -9.639 5.692 2.214 129 HH12 ARG 17 2HH1 ARG 17 -8.616 6.604 1.224 130 HH21 ARG 17 1HH2 ARG 17 -9.268 4.764 -1.733 131 HH22 ARG 17 2HH2 ARG 17 -8.374 6.049 -1.074 132 H ARG 18 H ARG 18 -12.177 -1.549 2.008 133 HA ARG 18 HA ARG 18 -13.966 -2.479 1.090 134 HB2 ARG 18 2HB ARG 18 -14.540 -0.023 0.991 135 HB3 ARG 18 1HB ARG 18 -14.076 -0.042 -0.702 136 HG2 ARG 18 2HG ARG 18 -15.832 -1.672 -1.178 137 HG3 ARG 18 1HG ARG 18 -16.270 -1.711 0.527 138 HD2 ARG 18 2HD ARG 18 -17.817 -0.290 -0.626 139 HD3 ARG 18 1HD ARG 18 -16.784 0.718 0.382 140 HE ARG 18 HE ARG 18 -15.921 0.393 -2.343 141 HH11 ARG 18 1HH1 ARG 18 -17.615 2.456 -0.024 142 HH12 ARG 18 2HH1 ARG 18 -17.755 3.794 -1.059 143 HH21 ARG 18 1HH2 ARG 18 -16.132 2.207 -3.817 144 HH22 ARG 18 2HH2 ARG 18 -16.890 3.637 -3.308 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -12.007 -0.724 1.271 2 HA2 GLY 1 2HA GLY 1 -12.628 -2.984 1.316 3 HA3 GLY 1 1HA GLY 1 -13.582 -2.712 -0.133 4 H VAL 2 H VAL 2 -10.906 -1.345 -1.109 5 HA VAL 2 HA VAL 2 -9.937 -3.833 -2.318 6 HB VAL 2 HB VAL 2 -9.311 -0.983 -3.104 7 HG11 VAL 2 1HG1 VAL 2 -8.937 -3.573 -4.581 8 HG12 VAL 2 2HG1 VAL 2 -7.667 -2.563 -3.889 9 HG13 VAL 2 3HG1 VAL 2 -8.630 -1.971 -5.246 10 HG21 VAL 2 3HG2 VAL 2 -11.698 -1.357 -3.343 11 HG22 VAL 2 1HG2 VAL 2 -11.387 -2.811 -4.293 12 HG23 VAL 2 2HG2 VAL 2 -10.919 -1.231 -4.924 13 H CYS 3 H CYS 3 -7.944 -4.550 -1.726 14 HA CYS 3 HA CYS 3 -6.387 -2.674 -0.147 15 HB2 CYS 3 2HB CYS 3 -5.988 -5.652 -0.446 16 HB3 CYS 3 1HB CYS 3 -5.142 -4.593 0.679 17 H ARG 4 H ARG 4 -4.784 -1.697 -0.902 18 HA ARG 4 HA ARG 4 -3.705 -2.543 -3.496 19 HB2 ARG 4 2HB ARG 4 -5.326 -0.488 -3.347 20 HB3 ARG 4 1HB ARG 4 -3.970 0.319 -2.589 21 HG2 ARG 4 2HG ARG 4 -4.006 0.930 -4.893 22 HG3 ARG 4 1HG ARG 4 -2.629 -0.144 -4.647 23 HD2 ARG 4 2HD ARG 4 -5.299 -1.157 -5.620 24 HD3 ARG 4 1HD ARG 4 -4.088 -0.533 -6.732 25 HE ARG 4 HE ARG 4 -2.606 -2.300 -5.805 26 HH11 ARG 4 1HH1 ARG 4 -6.117 -2.796 -5.814 27 HH12 ARG 4 2HH1 ARG 4 -6.016 -4.493 -5.923 28 HH21 ARG 4 1HH2 ARG 4 -2.482 -4.640 -6.031 29 HH22 ARG 4 2HH2 ARG 4 -3.905 -5.557 -6.038 30 H CYS 5 H CYS 5 -1.430 -2.323 -3.597 31 HA CYS 5 HA CYS 5 -0.309 -1.814 -0.959 32 HB2 CYS 5 2HB CYS 5 0.942 -3.529 -3.069 33 HB3 CYS 5 1HB CYS 5 1.314 -3.476 -1.350 34 H VAL 6 H VAL 6 1.316 -0.509 -0.634 35 HA VAL 6 HA VAL 6 2.206 1.031 -2.896 36 HB VAL 6 HB VAL 6 2.856 2.664 -1.150 37 HG11 VAL 6 1HG1 VAL 6 -0.083 1.952 -1.243 38 HG12 VAL 6 2HG1 VAL 6 0.776 2.958 -2.409 39 HG13 VAL 6 3HG1 VAL 6 0.554 3.523 -0.751 40 HG21 VAL 6 3HG2 VAL 6 1.228 0.918 0.701 41 HG22 VAL 6 1HG2 VAL 6 1.829 2.529 1.096 42 HG23 VAL 6 2HG2 VAL 6 2.963 1.210 0.799 43 H CYS 7 H CYS 7 4.408 1.225 -3.190 44 HA CYS 7 HA CYS 7 5.951 -0.571 -1.502 45 HB2 CYS 7 2HB CYS 7 6.549 0.166 -4.366 46 HB3 CYS 7 1HB CYS 7 7.430 -0.959 -3.321 47 H ARG 8 H ARG 8 7.506 0.099 -0.432 48 HA ARG 8 HA ARG 8 8.440 2.849 -0.829 49 HB2 ARG 8 2HB ARG 8 6.819 2.659 1.050 50 HB3 ARG 8 1HB ARG 8 7.862 1.463 1.796 51 HG2 ARG 8 2HG ARG 8 8.178 3.576 2.894 52 HG3 ARG 8 1HG ARG 8 9.635 3.188 1.972 53 HD2 ARG 8 2HD ARG 8 8.933 4.690 0.201 54 HD3 ARG 8 1HD ARG 8 7.423 5.022 1.048 55 HE ARG 8 HE ARG 8 9.479 5.639 2.788 56 HH11 ARG 8 1HH1 ARG 8 8.328 6.832 -0.339 57 HH12 ARG 8 2HH1 ARG 8 8.866 8.430 -0.054 58 HH21 ARG 8 1HH2 ARG 8 10.176 7.810 3.156 59 HH22 ARG 8 2HH2 ARG 8 9.902 8.999 1.961 60 H ARG 9 H ARG 9 10.501 2.600 -1.451 61 HA ARG 9 HA ARG 9 12.659 2.011 -1.543 62 HB2 ARG 9 2HB ARG 9 12.650 2.916 0.749 63 HB3 ARG 9 1HB ARG 9 12.213 1.345 1.384 64 HG2 ARG 9 2HG ARG 9 14.373 0.461 0.790 65 HG3 ARG 9 1HG ARG 9 14.810 1.954 -0.037 66 HD2 ARG 9 2HD ARG 9 14.731 3.167 2.062 67 HD3 ARG 9 1HD ARG 9 14.174 1.723 2.912 68 HE ARG 9 HE ARG 9 16.476 0.931 1.784 69 HH11 ARG 9 1HH1 ARG 9 15.706 3.695 3.857 70 HH12 ARG 9 2HH1 ARG 9 17.235 3.751 4.606 71 HH21 ARG 9 1HH2 ARG 9 18.584 0.994 2.860 72 HH22 ARG 9 2HH2 ARG 9 18.870 2.185 4.034 73 H GLY 10 H GLY 10 10.947 0.203 -2.556 74 HA2 GLY 10 2HA GLY 10 11.213 -1.851 -3.585 75 HA3 GLY 10 1HA GLY 10 12.586 -2.164 -2.539 76 H VAL 11 H VAL 11 10.302 -1.351 -0.378 77 HA VAL 11 HA VAL 11 9.486 -4.152 -0.070 78 HB VAL 11 HB VAL 11 9.433 -1.907 1.961 79 HG11 VAL 11 1HG1 VAL 11 9.108 -3.682 3.630 80 HG12 VAL 11 2HG1 VAL 11 9.050 -4.871 2.333 81 HG13 VAL 11 3HG1 VAL 11 7.800 -3.635 2.448 82 HG21 VAL 11 3HG2 VAL 11 11.441 -4.138 1.668 83 HG22 VAL 11 1HG2 VAL 11 11.380 -2.994 3.008 84 HG23 VAL 11 2HG2 VAL 11 11.735 -2.423 1.378 85 H CYS 12 H CYS 12 7.377 -4.637 -0.395 86 HA CYS 12 HA CYS 12 5.600 -2.358 -0.786 87 HB2 CYS 12 2HB CYS 12 5.333 -5.171 -1.850 88 HB3 CYS 12 1HB CYS 12 4.228 -3.834 -2.177 89 H ARG 13 H ARG 13 4.061 -1.943 0.523 90 HA ARG 13 HA ARG 13 3.172 -3.994 2.419 91 HB2 ARG 13 2HB ARG 13 3.628 -1.038 2.866 92 HB3 ARG 13 1HB ARG 13 2.807 -2.081 4.017 93 HG2 ARG 13 2HG ARG 13 4.838 -3.446 4.194 94 HG3 ARG 13 1HG ARG 13 5.661 -2.342 3.094 95 HD2 ARG 13 2HD ARG 13 5.324 -0.515 4.674 96 HD3 ARG 13 1HD ARG 13 4.477 -1.608 5.771 97 HE ARG 13 HE ARG 13 6.915 -2.758 5.267 98 HH11 ARG 13 1HH1 ARG 13 5.739 0.209 6.807 99 HH12 ARG 13 2HH1 ARG 13 7.097 0.390 7.825 100 HH21 ARG 13 1HH2 ARG 13 8.823 -2.475 6.678 101 HH22 ARG 13 2HH2 ARG 13 8.861 -1.154 7.741 102 H CYS 14 H CYS 14 0.948 -4.087 2.797 103 HA CYS 14 HA CYS 14 -0.539 -2.709 0.717 104 HB2 CYS 14 2HB CYS 14 -1.261 -5.210 2.166 105 HB3 CYS 14 1HB CYS 14 -2.144 -4.495 0.829 106 H VAL 15 H VAL 15 -2.328 -1.630 1.002 107 HA VAL 15 HA VAL 15 -3.266 -1.139 3.750 108 HB VAL 15 HB VAL 15 -2.994 0.914 1.516 109 HG11 VAL 15 1HG1 VAL 15 -3.827 1.289 4.389 110 HG12 VAL 15 2HG1 VAL 15 -4.876 1.393 2.979 111 HG13 VAL 15 3HG1 VAL 15 -3.587 2.583 3.216 112 HG21 VAL 15 3HG2 VAL 15 -1.248 1.976 2.897 113 HG22 VAL 15 1HG2 VAL 15 -0.792 0.349 2.385 114 HG23 VAL 15 2HG2 VAL 15 -1.350 0.632 4.034 115 H CYS 16 H CYS 16 -5.536 -1.027 3.894 116 HA CYS 16 HA CYS 16 -6.895 -1.666 1.404 117 HB2 CYS 16 2HB CYS 16 -7.828 -2.254 4.212 118 HB3 CYS 16 1HB CYS 16 -8.634 -2.698 2.699 119 H ARG 17 H ARG 17 -8.328 -0.514 0.565 120 HA ARG 17 HA ARG 17 -9.341 1.871 1.921 121 HB2 ARG 17 2HB ARG 17 -7.201 2.431 0.835 122 HB3 ARG 17 1HB ARG 17 -7.818 1.805 -0.680 123 HG2 ARG 17 2HG ARG 17 -7.987 4.104 -0.895 124 HG3 ARG 17 1HG ARG 17 -9.619 3.577 -0.487 125 HD2 ARG 17 2HD ARG 17 -7.643 4.650 1.539 126 HD3 ARG 17 1HD ARG 17 -8.805 5.653 0.688 127 HE ARG 17 HE ARG 17 -9.590 3.467 2.512 128 HH11 ARG 17 1HH1 ARG 17 -9.853 6.837 1.450 129 HH12 ARG 17 2HH1 ARG 17 -11.269 7.119 2.353 130 HH21 ARG 17 1HH2 ARG 17 -11.484 3.908 3.783 131 HH22 ARG 17 2HH2 ARG 17 -12.200 5.461 3.682 132 H ARG 18 H ARG 18 -11.511 1.745 1.565 133 HA ARG 18 HA ARG 18 -13.513 1.573 0.575 134 HB2 ARG 18 2HB ARG 18 -12.513 3.149 -1.058 135 HB3 ARG 18 1HB ARG 18 -11.925 1.809 -2.010 136 HG2 ARG 18 2HG ARG 18 -14.330 1.133 -2.359 137 HG3 ARG 18 1HG ARG 18 -14.797 2.621 -1.541 138 HD2 ARG 18 2HD ARG 18 -13.061 2.492 -3.992 139 HD3 ARG 18 1HD ARG 18 -14.797 2.772 -4.023 140 HE ARG 18 HE ARG 18 -13.996 4.701 -2.399 141 HH11 ARG 18 1HH1 ARG 18 -12.575 3.645 -5.458 142 HH12 ARG 18 2HH1 ARG 18 -12.211 5.205 -6.006 143 HH21 ARG 18 1HH2 ARG 18 -13.481 6.872 -3.150 144 HH22 ARG 18 2HH2 ARG 18 -12.714 7.086 -4.660 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -11.451 -2.770 0.406 2 HA2 GLY 1 2HA GLY 1 -11.407 -4.795 -0.793 3 HA3 GLY 1 1HA GLY 1 -12.481 -4.081 -1.989 4 H VAL 2 H VAL 2 -10.582 -1.654 -1.911 5 HA VAL 2 HA VAL 2 -8.859 -2.716 -4.003 6 HB VAL 2 HB VAL 2 -9.327 0.165 -3.182 7 HG11 VAL 2 1HG1 VAL 2 -7.229 -0.158 -4.383 8 HG12 VAL 2 2HG1 VAL 2 -8.391 0.721 -5.378 9 HG13 VAL 2 3HG1 VAL 2 -8.090 -0.990 -5.679 10 HG21 VAL 2 3HG2 VAL 2 -10.606 -1.408 -5.419 11 HG22 VAL 2 1HG2 VAL 2 -10.821 0.316 -5.120 12 HG23 VAL 2 2HG2 VAL 2 -11.405 -0.864 -3.948 13 H CYS 3 H CYS 3 -6.955 -3.416 -3.308 14 HA CYS 3 HA CYS 3 -5.784 -2.045 -1.030 15 HB2 CYS 3 2HB CYS 3 -5.260 -4.818 -2.090 16 HB3 CYS 3 1HB CYS 3 -4.325 -4.061 -0.802 17 H ARG 4 H ARG 4 -4.192 -0.788 -1.341 18 HA ARG 4 HA ARG 4 -2.795 -0.834 -3.905 19 HB2 ARG 4 2HB ARG 4 -4.001 1.247 -3.141 20 HB3 ARG 4 1HB ARG 4 -2.891 1.321 -1.788 21 HG2 ARG 4 2HG ARG 4 -2.219 2.868 -3.530 22 HG3 ARG 4 1HG ARG 4 -1.013 1.591 -3.336 23 HD2 ARG 4 2HD ARG 4 -1.530 2.129 -5.706 24 HD3 ARG 4 1HD ARG 4 -1.835 0.443 -5.284 25 HE ARG 4 HE ARG 4 -4.174 1.983 -4.942 26 HH11 ARG 4 1HH1 ARG 4 -2.169 0.668 -7.527 27 HH12 ARG 4 2HH1 ARG 4 -3.454 0.512 -8.633 28 HH21 ARG 4 1HH2 ARG 4 -5.929 1.755 -6.407 29 HH22 ARG 4 2HH2 ARG 4 -5.701 1.132 -7.967 30 H CYS 5 H CYS 5 -0.937 -1.970 -3.761 31 HA CYS 5 HA CYS 5 0.553 -1.795 -1.258 32 HB2 CYS 5 2HB CYS 5 0.812 -3.813 -3.462 33 HB3 CYS 5 1HB CYS 5 1.716 -3.809 -1.964 34 H VAL 6 H VAL 6 2.416 -0.990 -1.229 35 HA VAL 6 HA VAL 6 3.706 -0.101 -3.730 36 HB VAL 6 HB VAL 6 3.636 1.435 -1.101 37 HG11 VAL 6 1HG1 VAL 6 4.713 3.252 -2.342 38 HG12 VAL 6 2HG1 VAL 6 4.802 2.224 -3.774 39 HG13 VAL 6 3HG1 VAL 6 5.705 1.794 -2.325 40 HG21 VAL 6 3HG2 VAL 6 2.223 2.061 -3.698 41 HG22 VAL 6 1HG2 VAL 6 2.272 3.111 -2.279 42 HG23 VAL 6 2HG2 VAL 6 1.458 1.545 -2.196 43 H CYS 7 H CYS 7 5.824 -0.683 -3.836 44 HA CYS 7 HA CYS 7 6.965 -1.808 -1.396 45 HB2 CYS 7 2HB CYS 7 7.600 -2.485 -4.262 46 HB3 CYS 7 1HB CYS 7 8.400 -3.153 -2.834 47 H ARG 8 H ARG 8 8.729 -1.079 -0.637 48 HA ARG 8 HA ARG 8 10.379 0.715 -2.232 49 HB2 ARG 8 2HB ARG 8 8.781 2.165 -1.069 50 HB3 ARG 8 1HB ARG 8 9.224 1.427 0.458 51 HG2 ARG 8 2HG ARG 8 11.439 2.331 0.328 52 HG3 ARG 8 1HG ARG 8 11.130 2.958 -1.294 53 HD2 ARG 8 2HD ARG 8 9.671 3.769 1.203 54 HD3 ARG 8 1HD ARG 8 10.951 4.700 0.419 55 HE ARG 8 HE ARG 8 9.262 4.434 -1.583 56 HH11 ARG 8 1HH1 ARG 8 8.595 5.334 1.777 57 HH12 ARG 8 2HH1 ARG 8 7.226 6.287 1.371 58 HH21 ARG 8 1HH2 ARG 8 7.441 5.691 -2.095 59 HH22 ARG 8 2HH2 ARG 8 6.502 6.457 -0.888 60 H ARG 9 H ARG 9 12.362 -0.016 -2.063 61 HA ARG 9 HA ARG 9 14.366 -0.718 -1.210 62 HB2 ARG 9 2HB ARG 9 13.827 1.141 0.425 63 HB3 ARG 9 1HB ARG 9 13.166 -0.077 1.495 64 HG2 ARG 9 2HG ARG 9 15.419 -1.113 1.612 65 HG3 ARG 9 1HG ARG 9 16.039 0.232 0.647 66 HD2 ARG 9 2HD ARG 9 15.151 1.800 2.347 67 HD3 ARG 9 1HD ARG 9 14.685 0.415 3.325 68 HE ARG 9 HE ARG 9 17.456 0.475 2.579 69 HH11 ARG 9 1HH1 ARG 9 15.067 1.296 5.075 70 HH12 ARG 9 2HH1 ARG 9 16.229 1.658 6.254 71 HH21 ARG 9 1HH2 ARG 9 19.040 0.979 4.199 72 HH22 ARG 9 2HH2 ARG 9 18.538 1.504 5.748 73 H GLY 10 H GLY 10 12.135 -2.543 -1.592 74 HA2 GLY 10 2HA GLY 10 12.044 -4.870 -1.466 75 HA3 GLY 10 1HA GLY 10 13.209 -4.823 -0.147 76 H VAL 11 H VAL 11 11.021 -2.581 0.671 77 HA VAL 11 HA VAL 11 9.554 -4.429 2.391 78 HB VAL 11 HB VAL 11 9.914 -1.420 2.562 79 HG11 VAL 11 1HG1 VAL 11 8.979 -1.642 4.835 80 HG12 VAL 11 2HG1 VAL 11 8.624 -3.340 4.484 81 HG13 VAL 11 3HG1 VAL 11 7.824 -2.068 3.570 82 HG21 VAL 11 3HG2 VAL 11 11.370 -1.896 4.481 83 HG22 VAL 11 1HG2 VAL 11 11.997 -2.592 2.989 84 HG23 VAL 11 2HG2 VAL 11 11.198 -3.622 4.177 85 H CYS 12 H CYS 12 7.570 -4.938 1.651 86 HA CYS 12 HA CYS 12 6.244 -2.980 -0.011 87 HB2 CYS 12 2HB CYS 12 5.702 -5.934 0.302 88 HB3 CYS 12 1HB CYS 12 4.758 -4.854 -0.716 89 H ARG 13 H ARG 13 4.556 -1.917 0.666 90 HA ARG 13 HA ARG 13 3.252 -2.751 3.170 91 HB2 ARG 13 2HB ARG 13 4.746 -0.778 3.374 92 HB3 ARG 13 1HB ARG 13 3.800 0.032 2.136 93 HG2 ARG 13 2HG ARG 13 1.863 0.035 3.599 94 HG3 ARG 13 1HG ARG 13 2.781 -0.832 4.832 95 HD2 ARG 13 2HD ARG 13 3.374 1.908 3.746 96 HD3 ARG 13 1HD ARG 13 2.744 1.518 5.349 97 HE ARG 13 HE ARG 13 4.993 0.136 5.324 98 HH11 ARG 13 1HH1 ARG 13 4.295 3.531 4.627 99 HH12 ARG 13 2HH1 ARG 13 5.876 4.076 4.977 100 HH21 ARG 13 1HH2 ARG 13 7.202 0.897 5.761 101 HH22 ARG 13 2HH2 ARG 13 7.542 2.567 5.596 102 H CYS 14 H CYS 14 0.989 -2.682 3.134 103 HA CYS 14 HA CYS 14 -0.207 -1.784 0.609 104 HB2 CYS 14 2HB CYS 14 -1.092 -4.156 2.245 105 HB3 CYS 14 1HB CYS 14 -1.837 -3.580 0.775 106 H VAL 15 H VAL 15 -2.000 -0.683 0.719 107 HA VAL 15 HA VAL 15 -3.299 -0.316 3.311 108 HB VAL 15 HB VAL 15 -2.041 1.745 2.838 109 HG11 VAL 15 1HG1 VAL 15 -2.468 3.140 0.872 110 HG12 VAL 15 2HG1 VAL 15 -3.522 1.886 0.222 111 HG13 VAL 15 3HG1 VAL 15 -1.804 1.566 0.429 112 HG21 VAL 15 3HG2 VAL 15 -3.867 3.397 2.829 113 HG22 VAL 15 1HG2 VAL 15 -4.175 2.043 3.920 114 HG23 VAL 15 2HG2 VAL 15 -4.991 2.124 2.357 115 H CYS 16 H CYS 16 -5.419 -0.815 3.258 116 HA CYS 16 HA CYS 16 -6.529 -1.236 0.593 117 HB2 CYS 16 2HB CYS 16 -7.267 -2.630 3.165 118 HB3 CYS 16 1HB CYS 16 -8.017 -2.887 1.591 119 H ARG 17 H ARG 17 -8.251 -0.340 -0.042 120 HA ARG 17 HA ARG 17 -9.981 0.998 1.881 121 HB2 ARG 17 2HB ARG 17 -8.644 2.781 0.932 122 HB3 ARG 17 1HB ARG 17 -8.949 2.199 -0.697 123 HG2 ARG 17 2HG ARG 17 -10.274 4.184 -0.191 124 HG3 ARG 17 1HG ARG 17 -11.308 2.788 -0.494 125 HD2 ARG 17 2HD ARG 17 -11.433 2.484 2.009 126 HD3 ARG 17 1HD ARG 17 -10.608 4.038 2.162 127 HE ARG 17 HE ARG 17 -12.823 4.330 0.491 128 HH11 ARG 17 1HH1 ARG 17 -12.073 3.806 3.911 129 HH12 ARG 17 2HH1 ARG 17 -13.514 4.489 4.487 130 HH21 ARG 17 1HH2 ARG 17 -14.847 5.263 1.299 131 HH22 ARG 17 2HH2 ARG 17 -15.110 5.323 2.985 132 H ARG 18 H ARG 18 -11.646 -0.256 1.812 133 HA ARG 18 HA ARG 18 -13.457 -1.385 1.190 134 HB2 ARG 18 2HB ARG 18 -14.127 0.969 0.773 135 HB3 ARG 18 1HB ARG 18 -13.622 0.804 -0.895 136 HG2 ARG 18 2HG ARG 18 -15.390 -0.750 -1.346 137 HG3 ARG 18 1HG ARG 18 -15.795 -0.848 0.369 138 HD2 ARG 18 2HD ARG 18 -15.967 1.671 -1.276 139 HD3 ARG 18 1HD ARG 18 -17.334 0.600 -0.960 140 HE ARG 18 HE ARG 18 -16.457 1.124 1.514 141 HH11 ARG 18 1HH1 ARG 18 -17.180 3.344 -1.154 142 HH12 ARG 18 2HH1 ARG 18 -17.671 4.612 -0.129 143 HH21 ARG 18 1HH2 ARG 18 -17.183 2.844 2.895 144 HH22 ARG 18 2HH2 ARG 18 -17.685 4.317 2.222 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -10.951 -1.876 1.737 2 HA2 GLY 1 2HA GLY 1 -11.241 -4.175 1.246 3 HA3 GLY 1 1HA GLY 1 -12.560 -3.751 0.169 4 H VAL 2 H VAL 2 -10.669 -1.604 -0.970 5 HA VAL 2 HA VAL 2 -9.520 -3.371 -2.965 6 HB VAL 2 HB VAL 2 -9.503 -0.338 -2.853 7 HG11 VAL 2 1HG1 VAL 2 -7.749 -1.237 -4.286 8 HG12 VAL 2 2HG1 VAL 2 -9.003 -0.467 -5.262 9 HG13 VAL 2 3HG1 VAL 2 -8.935 -2.221 -5.141 10 HG21 VAL 2 3HG2 VAL 2 -11.372 -2.190 -4.336 11 HG22 VAL 2 1HG2 VAL 2 -11.340 -0.433 -4.491 12 HG23 VAL 2 2HG2 VAL 2 -11.790 -1.177 -2.955 13 H CYS 3 H CYS 3 -7.580 -4.189 -2.464 14 HA CYS 3 HA CYS 3 -5.823 -2.485 -0.908 15 HB2 CYS 3 2HB CYS 3 -5.833 -5.489 -1.184 16 HB3 CYS 3 1HB CYS 3 -4.629 -4.578 -0.284 17 H ARG 4 H ARG 4 -3.962 -1.848 -1.708 18 HA ARG 4 HA ARG 4 -2.812 -3.315 -3.977 19 HB2 ARG 4 2HB ARG 4 -2.246 -1.229 -5.168 20 HB3 ARG 4 1HB ARG 4 -3.977 -1.447 -5.008 21 HG2 ARG 4 2HG ARG 4 -4.068 0.199 -3.243 22 HG3 ARG 4 1HG ARG 4 -2.309 0.356 -3.268 23 HD2 ARG 4 2HD ARG 4 -4.155 1.003 -5.564 24 HD3 ARG 4 1HD ARG 4 -3.433 2.184 -4.473 25 HE ARG 4 HE ARG 4 -1.580 0.443 -5.873 26 HH11 ARG 4 1HH1 ARG 4 -3.211 3.571 -5.865 27 HH12 ARG 4 2HH1 ARG 4 -2.093 4.322 -6.903 28 HH21 ARG 4 1HH2 ARG 4 -0.052 1.428 -7.282 29 HH22 ARG 4 2HH2 ARG 4 -0.234 3.054 -7.738 30 H CYS 5 H CYS 5 -0.662 -3.651 -3.824 31 HA CYS 5 HA CYS 5 0.701 -2.390 -1.585 32 HB2 CYS 5 2HB CYS 5 1.454 -4.736 -3.288 33 HB3 CYS 5 1HB CYS 5 2.600 -3.946 -2.246 34 H VAL 6 H VAL 6 2.325 -1.305 -1.570 35 HA VAL 6 HA VAL 6 3.524 -0.395 -4.059 36 HB VAL 6 HB VAL 6 1.922 1.360 -3.262 37 HG11 VAL 6 1HG1 VAL 6 1.902 0.900 -0.899 38 HG12 VAL 6 2HG1 VAL 6 2.325 2.590 -1.174 39 HG13 VAL 6 3HG1 VAL 6 3.579 1.421 -0.753 40 HG21 VAL 6 3HG2 VAL 6 3.496 3.269 -3.211 41 HG22 VAL 6 1HG2 VAL 6 3.893 2.095 -4.468 42 HG23 VAL 6 2HG2 VAL 6 4.827 2.138 -2.974 43 H CYS 7 H CYS 7 5.769 -0.121 -3.836 44 HA CYS 7 HA CYS 7 6.734 -1.233 -1.334 45 HB2 CYS 7 2HB CYS 7 8.161 -1.176 -3.990 46 HB3 CYS 7 1HB CYS 7 8.693 -1.970 -2.505 47 H ARG 8 H ARG 8 7.970 -0.279 -0.072 48 HA ARG 8 HA ARG 8 9.170 2.291 -0.845 49 HB2 ARG 8 2HB ARG 8 7.182 2.630 0.591 50 HB3 ARG 8 1HB ARG 8 7.874 1.546 1.789 51 HG2 ARG 8 2HG ARG 8 9.783 3.123 2.018 52 HG3 ARG 8 1HG ARG 8 8.937 4.227 0.937 53 HD2 ARG 8 2HD ARG 8 7.896 3.199 3.579 54 HD3 ARG 8 1HD ARG 8 8.565 4.803 3.298 55 HE ARG 8 HE ARG 8 6.639 4.874 1.566 56 HH11 ARG 8 1HH1 ARG 8 6.473 3.425 4.815 57 HH12 ARG 8 2HH1 ARG 8 4.865 3.862 5.087 58 HH21 ARG 8 1HH2 ARG 8 4.385 5.456 1.944 59 HH22 ARG 8 2HH2 ARG 8 3.640 5.021 3.401 60 H ARG 9 H ARG 9 11.263 1.767 -0.975 61 HA ARG 9 HA ARG 9 13.261 0.928 -0.594 62 HB2 ARG 9 2HB ARG 9 13.154 2.639 1.194 63 HB3 ARG 9 1HB ARG 9 12.538 1.434 2.313 64 HG2 ARG 9 2HG ARG 9 14.918 1.817 2.711 65 HG3 ARG 9 1HG ARG 9 14.663 0.183 2.092 66 HD2 ARG 9 2HD ARG 9 15.197 1.072 -0.189 67 HD3 ARG 9 1HD ARG 9 15.679 2.581 0.580 68 HE ARG 9 HE ARG 9 16.975 0.344 1.734 69 HH11 ARG 9 1HH1 ARG 9 17.039 2.507 -1.045 70 HH12 ARG 9 2HH1 ARG 9 18.653 2.179 -1.464 71 HH21 ARG 9 1HH2 ARG 9 19.203 -0.137 1.175 72 HH22 ARG 9 2HH2 ARG 9 19.928 0.617 -0.162 73 H GLY 10 H GLY 10 11.775 -1.051 -1.223 74 HA2 GLY 10 2HA GLY 10 12.086 -3.350 -1.331 75 HA3 GLY 10 1HA GLY 10 13.042 -3.266 0.137 76 H VAL 11 H VAL 11 10.540 -1.688 1.212 77 HA VAL 11 HA VAL 11 9.232 -4.112 2.165 78 HB VAL 11 HB VAL 11 8.991 -1.260 3.176 79 HG11 VAL 11 1HG1 VAL 11 6.980 -2.566 3.646 80 HG12 VAL 11 2HG1 VAL 11 7.874 -2.254 5.136 81 HG13 VAL 11 3HG1 VAL 11 7.961 -3.838 4.373 82 HG21 VAL 11 3HG2 VAL 11 10.321 -2.044 5.087 83 HG22 VAL 11 1HG2 VAL 11 11.210 -2.162 3.565 84 HG23 VAL 11 2HG2 VAL 11 10.513 -3.608 4.291 85 H CYS 12 H CYS 12 7.608 -4.707 0.958 86 HA CYS 12 HA CYS 12 5.970 -2.688 -0.335 87 HB2 CYS 12 2HB CYS 12 5.938 -5.693 -0.657 88 HB3 CYS 12 1HB CYS 12 5.110 -4.507 -1.668 89 H ARG 13 H ARG 13 4.217 -2.070 0.477 90 HA ARG 13 HA ARG 13 2.869 -3.747 2.490 91 HB2 ARG 13 2HB ARG 13 4.041 -1.878 3.568 92 HB3 ARG 13 1HB ARG 13 3.255 -0.745 2.483 93 HG2 ARG 13 2HG ARG 13 1.066 -1.414 3.457 94 HG3 ARG 13 1HG ARG 13 1.938 -2.422 4.612 95 HD2 ARG 13 2HD ARG 13 2.257 0.559 4.288 96 HD3 ARG 13 1HD ARG 13 1.322 -0.232 5.553 97 HE ARG 13 HE ARG 13 3.854 -1.288 5.722 98 HH11 ARG 13 1HH1 ARG 13 2.411 1.908 6.056 99 HH12 ARG 13 2HH1 ARG 13 3.584 2.491 7.150 100 HH21 ARG 13 1HH2 ARG 13 5.469 -0.519 7.176 101 HH22 ARG 13 2HH2 ARG 13 5.414 1.075 7.770 102 H CYS 14 H CYS 14 0.684 -3.940 2.186 103 HA CYS 14 HA CYS 14 -0.433 -2.485 -0.053 104 HB2 CYS 14 2HB CYS 14 -1.406 -4.830 1.467 105 HB3 CYS 14 1HB CYS 14 -2.494 -3.898 0.482 106 H VAL 15 H VAL 15 -1.639 -1.124 -0.044 107 HA VAL 15 HA VAL 15 -2.642 0.060 2.445 108 HB VAL 15 HB VAL 15 -2.489 1.264 -0.347 109 HG11 VAL 15 1HG1 VAL 15 -4.234 2.260 1.012 110 HG12 VAL 15 2HG1 VAL 15 -2.911 3.401 0.773 111 HG13 VAL 15 3HG1 VAL 15 -3.080 2.557 2.312 112 HG21 VAL 15 3HG2 VAL 15 -0.662 1.737 2.013 113 HG22 VAL 15 1HG2 VAL 15 -0.609 2.612 0.483 114 HG23 VAL 15 2HG2 VAL 15 -0.240 0.886 0.527 115 H CYS 16 H CYS 16 -4.776 -0.191 2.780 116 HA CYS 16 HA CYS 16 -6.259 -1.179 0.505 117 HB2 CYS 16 2HB CYS 16 -6.741 -1.738 3.422 118 HB3 CYS 16 1HB CYS 16 -7.745 -2.285 2.076 119 H ARG 17 H ARG 17 -7.894 -0.170 -0.123 120 HA ARG 17 HA ARG 17 -9.061 1.937 1.534 121 HB2 ARG 17 2HB ARG 17 -7.832 3.019 -0.210 122 HB3 ARG 17 1HB ARG 17 -8.508 1.949 -1.427 123 HG2 ARG 17 2HG ARG 17 -10.630 2.980 -1.285 124 HG3 ARG 17 1HG ARG 17 -10.185 3.834 0.182 125 HD2 ARG 17 2HD ARG 17 -8.808 4.272 -2.457 126 HD3 ARG 17 1HD ARG 17 -10.154 5.262 -1.889 127 HE ARG 17 HE ARG 17 -8.470 5.382 0.177 128 HH11 ARG 17 1HH1 ARG 17 -7.858 5.918 -3.276 129 HH12 ARG 17 2HH1 ARG 17 -6.636 7.073 -3.002 130 HH21 ARG 17 1HH2 ARG 17 -6.807 7.000 0.514 131 HH22 ARG 17 2HH2 ARG 17 -6.034 7.687 -0.844 132 H ARG 18 H ARG 18 -10.745 0.901 2.301 133 HA ARG 18 HA ARG 18 -12.698 -0.148 2.498 134 HB2 ARG 18 2HB ARG 18 -13.415 1.988 1.491 135 HB3 ARG 18 1HB ARG 18 -13.311 1.277 -0.110 136 HG2 ARG 18 2HG ARG 18 -15.099 -0.303 0.490 137 HG3 ARG 18 1HG ARG 18 -15.168 0.379 2.105 138 HD2 ARG 18 2HD ARG 18 -15.846 2.535 1.159 139 HD3 ARG 18 1HD ARG 18 -15.783 1.840 -0.459 140 HE ARG 18 HE ARG 18 -17.498 0.229 0.410 141 HH11 ARG 18 1HH1 ARG 18 -17.283 3.510 1.761 142 HH12 ARG 18 2HH1 ARG 18 -18.944 3.619 2.090 143 HH21 ARG 18 1HH2 ARG 18 -19.781 0.402 0.911 144 HH22 ARG 18 2HH2 ARG 18 -20.382 1.837 1.608 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -12.553 -2.374 0.798 2 HA2 GLY 1 2HA GLY 1 -12.737 -4.653 0.295 3 HA3 GLY 1 1HA GLY 1 -13.765 -4.229 -1.066 4 H VAL 2 H VAL 2 -11.180 -2.275 -1.330 5 HA VAL 2 HA VAL 2 -9.884 -4.065 -3.252 6 HB VAL 2 HB VAL 2 -9.757 -1.039 -3.074 7 HG11 VAL 2 1HG1 VAL 2 -8.889 -1.148 -5.364 8 HG12 VAL 2 2HG1 VAL 2 -8.904 -2.911 -5.269 9 HG13 VAL 2 3HG1 VAL 2 -7.847 -1.980 -4.207 10 HG21 VAL 2 3HG2 VAL 2 -11.478 -2.736 -4.880 11 HG22 VAL 2 1HG2 VAL 2 -11.276 -0.989 -5.014 12 HG23 VAL 2 2HG2 VAL 2 -12.035 -1.685 -3.580 13 H CYS 3 H CYS 3 -7.723 -4.499 -2.948 14 HA CYS 3 HA CYS 3 -6.486 -3.083 -0.743 15 HB2 CYS 3 2HB CYS 3 -6.130 -5.957 -1.594 16 HB3 CYS 3 1HB CYS 3 -5.070 -5.146 -0.445 17 H ARG 4 H ARG 4 -4.539 -2.208 -1.122 18 HA ARG 4 HA ARG 4 -3.219 -2.856 -3.649 19 HB2 ARG 4 2HB ARG 4 -2.491 -0.432 -3.737 20 HB3 ARG 4 1HB ARG 4 -4.158 -0.783 -4.154 21 HG2 ARG 4 2HG ARG 4 -4.945 0.078 -2.082 22 HG3 ARG 4 1HG ARG 4 -3.303 0.185 -1.436 23 HD2 ARG 4 2HD ARG 4 -4.327 2.349 -2.252 24 HD3 ARG 4 1HD ARG 4 -2.739 1.949 -2.896 25 HE ARG 4 HE ARG 4 -5.047 1.137 -4.458 26 HH11 ARG 4 1HH1 ARG 4 -2.513 3.593 -3.971 27 HH12 ARG 4 2HH1 ARG 4 -2.505 4.069 -5.597 28 HH21 ARG 4 1HH2 ARG 4 -4.976 1.805 -6.681 29 HH22 ARG 4 2HH2 ARG 4 -3.887 3.053 -7.156 30 H CYS 5 H CYS 5 -1.051 -3.044 -3.587 31 HA CYS 5 HA CYS 5 0.192 -2.506 -0.996 32 HB2 CYS 5 2HB CYS 5 1.023 -4.577 -2.982 33 HB3 CYS 5 1HB CYS 5 1.693 -4.312 -1.387 34 H VAL 6 H VAL 6 1.741 -1.257 -0.944 35 HA VAL 6 HA VAL 6 2.887 -0.239 -3.463 36 HB VAL 6 HB VAL 6 2.397 1.326 -0.917 37 HG11 VAL 6 1HG1 VAL 6 3.039 3.292 -2.225 38 HG12 VAL 6 2HG1 VAL 6 3.422 2.255 -3.596 39 HG13 VAL 6 3HG1 VAL 6 4.360 2.131 -2.107 40 HG21 VAL 6 3HG2 VAL 6 0.698 2.549 -2.207 41 HG22 VAL 6 1HG2 VAL 6 0.305 0.836 -2.080 42 HG23 VAL 6 2HG2 VAL 6 0.974 1.476 -3.581 43 H CYS 7 H CYS 7 4.971 -0.824 -3.624 44 HA CYS 7 HA CYS 7 6.472 -1.350 -1.217 45 HB2 CYS 7 2HB CYS 7 7.156 -1.748 -4.105 46 HB3 CYS 7 1HB CYS 7 8.398 -1.668 -2.857 47 H ARG 8 H ARG 8 7.644 -0.348 -0.201 48 HA ARG 8 HA ARG 8 8.905 2.072 -1.261 49 HB2 ARG 8 2HB ARG 8 7.063 2.729 0.231 50 HB3 ARG 8 1HB ARG 8 7.708 1.685 1.492 51 HG2 ARG 8 2HG ARG 8 9.721 3.051 1.603 52 HG3 ARG 8 1HG ARG 8 9.082 4.109 0.348 53 HD2 ARG 8 2HD ARG 8 7.141 4.615 1.784 54 HD3 ARG 8 1HD ARG 8 7.847 3.614 3.053 55 HE ARG 8 HE ARG 8 9.781 5.418 2.421 56 HH11 ARG 8 1HH1 ARG 8 6.418 5.674 3.518 57 HH12 ARG 8 2HH1 ARG 8 6.672 7.120 4.392 58 HH21 ARG 8 1HH2 ARG 8 10.094 7.454 3.553 59 HH22 ARG 8 2HH2 ARG 8 8.803 8.167 4.387 60 H ARG 9 H ARG 9 10.937 1.555 -1.371 61 HA ARG 9 HA ARG 9 12.985 0.792 -0.959 62 HB2 ARG 9 2HB ARG 9 12.709 2.225 1.066 63 HB3 ARG 9 1HB ARG 9 12.118 0.838 1.956 64 HG2 ARG 9 2HG ARG 9 14.440 1.224 2.526 65 HG3 ARG 9 1HG ARG 9 14.344 -0.249 1.566 66 HD2 ARG 9 2HD ARG 9 14.912 1.107 -0.455 67 HD3 ARG 9 1HD ARG 9 15.161 2.481 0.629 68 HE ARG 9 HE ARG 9 16.635 0.187 1.385 69 HH11 ARG 9 1HH1 ARG 9 16.693 3.024 -0.727 70 HH12 ARG 9 2HH1 ARG 9 18.370 2.986 -0.975 71 HH21 ARG 9 1HH2 ARG 9 18.941 0.128 1.060 72 HH22 ARG 9 2HH2 ARG 9 19.689 1.304 0.097 73 H GLY 10 H GLY 10 11.045 -0.970 -1.702 74 HA2 GLY 10 2HA GLY 10 11.062 -3.225 -2.213 75 HA3 GLY 10 1HA GLY 10 12.243 -3.482 -0.943 76 H VAL 11 H VAL 11 10.073 -1.824 0.683 77 HA VAL 11 HA VAL 11 8.763 -4.267 1.573 78 HB VAL 11 HB VAL 11 8.924 -1.556 2.919 79 HG11 VAL 11 1HG1 VAL 11 8.062 -2.698 4.911 80 HG12 VAL 11 2HG1 VAL 11 7.898 -4.192 3.990 81 HG13 VAL 11 3HG1 VAL 11 6.913 -2.789 3.572 82 HG21 VAL 11 3HG2 VAL 11 10.415 -4.118 3.482 83 HG22 VAL 11 1HG2 VAL 11 10.486 -2.661 4.472 84 HG23 VAL 11 2HG2 VAL 11 11.099 -2.638 2.818 85 H CYS 12 H CYS 12 6.917 -4.622 0.559 86 HA CYS 12 HA CYS 12 5.249 -2.429 -0.249 87 HB2 CYS 12 2HB CYS 12 5.139 -5.370 -0.653 88 HB3 CYS 12 1HB CYS 12 3.647 -4.464 -0.784 89 H ARG 13 H ARG 13 3.942 -1.507 0.738 90 HA ARG 13 HA ARG 13 2.877 -2.593 3.248 91 HB2 ARG 13 2HB ARG 13 2.812 0.228 2.148 92 HB3 ARG 13 1HB ARG 13 2.305 -0.260 3.758 93 HG2 ARG 13 2HG ARG 13 4.599 -0.892 4.297 94 HG3 ARG 13 1HG ARG 13 5.111 -0.402 2.678 95 HD2 ARG 13 2HD ARG 13 4.331 1.881 3.157 96 HD3 ARG 13 1HD ARG 13 3.895 1.372 4.787 97 HE ARG 13 HE ARG 13 6.642 0.895 4.040 98 HH11 ARG 13 1HH1 ARG 13 4.378 3.150 5.536 99 HH12 ARG 13 2HH1 ARG 13 5.540 3.951 6.478 100 HH21 ARG 13 1HH2 ARG 13 8.270 1.996 5.265 101 HH22 ARG 13 2HH2 ARG 13 7.877 3.259 6.322 102 H CYS 14 H CYS 14 0.892 -3.457 3.059 103 HA CYS 14 HA CYS 14 -0.696 -2.685 0.753 104 HB2 CYS 14 2HB CYS 14 -1.158 -4.954 2.649 105 HB3 CYS 14 1HB CYS 14 -2.001 -4.670 1.147 106 H VAL 15 H VAL 15 -2.378 -1.669 0.844 107 HA VAL 15 HA VAL 15 -3.597 -0.892 3.416 108 HB VAL 15 HB VAL 15 -3.502 0.717 0.838 109 HG11 VAL 15 1HG1 VAL 15 -4.334 2.574 2.205 110 HG12 VAL 15 2HG1 VAL 15 -4.463 1.481 3.581 111 HG13 VAL 15 3HG1 VAL 15 -5.459 1.215 2.149 112 HG21 VAL 15 3HG2 VAL 15 -1.265 0.613 1.802 113 HG22 VAL 15 1HG2 VAL 15 -1.898 1.134 3.364 114 HG23 VAL 15 2HG2 VAL 15 -1.937 2.232 1.987 115 H CYS 16 H CYS 16 -5.714 -1.514 3.527 116 HA CYS 16 HA CYS 16 -6.970 -2.203 0.995 117 HB2 CYS 16 2HB CYS 16 -7.414 -3.410 3.721 118 HB3 CYS 16 1HB CYS 16 -8.434 -3.729 2.317 119 H ARG 17 H ARG 17 -8.840 -1.314 0.512 120 HA ARG 17 HA ARG 17 -10.603 -0.171 2.469 121 HB2 ARG 17 2HB ARG 17 -10.559 2.123 1.615 122 HB3 ARG 17 1HB ARG 17 -9.022 1.662 2.327 123 HG2 ARG 17 2HG ARG 17 -8.110 1.287 0.074 124 HG3 ARG 17 1HG ARG 17 -9.666 1.787 -0.603 125 HD2 ARG 17 2HD ARG 17 -7.970 3.599 -0.593 126 HD3 ARG 17 1HD ARG 17 -9.415 3.997 0.337 127 HE ARG 17 HE ARG 17 -7.834 3.012 2.234 128 HH11 ARG 17 1HH1 ARG 17 -7.098 5.314 -0.311 129 HH12 ARG 17 2HH1 ARG 17 -5.997 6.225 0.601 130 HH21 ARG 17 1HH2 ARG 17 -6.338 4.225 3.538 131 HH22 ARG 17 2HH2 ARG 17 -5.564 5.590 2.869 132 H ARG 18 H ARG 18 -12.615 0.038 1.738 133 HA ARG 18 HA ARG 18 -14.447 -0.167 0.437 134 HB2 ARG 18 2HB ARG 18 -13.407 1.798 -0.631 135 HB3 ARG 18 1HB ARG 18 -12.552 0.757 -1.743 136 HG2 ARG 18 2HG ARG 18 -14.670 0.123 -2.777 137 HG3 ARG 18 1HG ARG 18 -15.558 1.080 -1.585 138 HD2 ARG 18 2HD ARG 18 -13.570 2.116 -3.592 139 HD3 ARG 18 1HD ARG 18 -15.318 2.345 -3.647 140 HE ARG 18 HE ARG 18 -15.015 3.518 -1.452 141 HH11 ARG 18 1HH1 ARG 18 -12.482 3.553 -3.942 142 HH12 ARG 18 2HH1 ARG 18 -11.744 4.973 -3.391 143 HH21 ARG 18 1HH2 ARG 18 -13.956 5.475 -0.677 144 HH22 ARG 18 2HH2 ARG 18 -12.580 6.080 -1.491
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