NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
558218 | 2m2g | 18913 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -10.534 -0.833 2.224 2 HA2 GLY 1 2HA GLY 1 -11.993 -2.737 2.372 3 HA3 GLY 1 1HA GLY 1 -12.769 -2.131 0.912 4 H VAL 2 H VAL 2 -10.238 -1.551 -0.495 5 HA VAL 2 HA VAL 2 -9.689 -4.361 -1.055 6 HB VAL 2 HB VAL 2 -10.523 -3.159 -3.026 7 HG11 VAL 2 1HG1 VAL 2 -9.241 -1.406 -4.146 8 HG12 VAL 2 2HG1 VAL 2 -8.117 -1.373 -2.788 9 HG13 VAL 2 3HG1 VAL 2 -9.803 -0.909 -2.549 10 HG21 VAL 2 3HG2 VAL 2 -8.768 -3.740 -4.638 11 HG22 VAL 2 1HG2 VAL 2 -8.981 -4.988 -3.411 12 HG23 VAL 2 2HG2 VAL 2 -7.609 -3.881 -3.318 13 H ABA 3 H ABU 3 -7.883 -5.258 -0.489 14 HA ABA 3 HA ABU 3 -5.850 -3.636 0.728 15 HB3 ABA 3 1HB ABU 3 -5.989 -6.632 0.296 16 HB2 ABA 3 2HB ABU 3 -6.516 -5.788 1.747 17 HG1 ABA 3 1HG ABU 3 -4.345 -6.816 2.070 18 HG3 ABA 3 3HG ABU 3 -3.698 -5.889 0.715 19 HG2 ABA 3 2HG ABU 3 -4.239 -5.056 2.169 20 H ARG 4 H ARG 4 -4.300 -2.769 -0.380 21 HA ARG 4 HA ARG 4 -3.313 -4.149 -2.773 22 HB2 ARG 4 2HB ARG 4 -3.587 -1.165 -2.308 23 HB3 ARG 4 1HB ARG 4 -2.710 -1.874 -3.647 24 HG2 ARG 4 2HG ARG 4 -5.674 -2.228 -3.166 25 HG3 ARG 4 1HG ARG 4 -4.974 -1.017 -4.237 26 HD2 ARG 4 2HD ARG 4 -5.692 -2.867 -5.587 27 HD3 ARG 4 1HD ARG 4 -3.935 -2.881 -5.549 28 HE ARG 4 HE ARG 4 -5.128 -4.557 -3.548 29 HH11 ARG 4 1HH1 ARG 4 -4.108 -4.506 -6.938 30 HH12 ARG 4 2HH1 ARG 4 -3.942 -6.196 -7.022 31 HH21 ARG 4 1HH2 ARG 4 -4.925 -6.839 -3.699 32 HH22 ARG 4 2HH2 ARG 4 -4.412 -7.536 -5.161 33 H CYS 5 H CYS 5 -1.096 -4.333 -2.851 34 HA CYS 5 HA CYS 5 0.139 -3.306 -0.458 35 HB2 CYS 5 2HB CYS 5 1.258 -5.435 -2.247 36 HB3 CYS 5 1HB CYS 5 1.831 -4.990 -0.662 37 H VAL 6 H VAL 6 1.693 -2.015 -0.550 38 HA VAL 6 HA VAL 6 2.575 -1.019 -3.190 39 HB VAL 6 HB VAL 6 2.189 0.630 -0.672 40 HG11 VAL 6 1HG1 VAL 6 2.506 2.573 -2.123 41 HG12 VAL 6 2HG1 VAL 6 2.801 1.502 -3.489 42 HG13 VAL 6 3HG1 VAL 6 3.921 1.518 -2.127 43 HG21 VAL 6 3HG2 VAL 6 0.254 1.649 -1.786 44 HG22 VAL 6 1HG2 VAL 6 0.017 -0.080 -1.538 45 HG23 VAL 6 2HG2 VAL 6 0.445 0.533 -3.138 46 H CYS 7 H CYS 7 4.731 -1.114 -3.461 47 HA CYS 7 HA CYS 7 6.390 -1.249 -1.072 48 HB2 CYS 7 2HB CYS 7 7.043 -2.017 -3.908 49 HB3 CYS 7 1HB CYS 7 8.170 -2.047 -2.580 50 H ARG 8 H ARG 8 7.794 0.190 -0.695 51 HA ARG 8 HA ARG 8 8.377 2.255 -2.645 52 HB2 ARG 8 2HB ARG 8 6.231 2.921 -1.559 53 HB3 ARG 8 1HB ARG 8 7.082 2.986 -0.023 54 HG2 ARG 8 2HG ARG 8 8.508 4.748 -0.850 55 HG3 ARG 8 1HG ARG 8 7.747 4.646 -2.437 56 HD2 ARG 8 2HD ARG 8 5.571 5.176 -1.319 57 HD3 ARG 8 1HD ARG 8 6.483 5.503 0.155 58 HE ARG 8 HE ARG 8 7.657 6.950 -1.871 59 HH11 ARG 8 1HH1 ARG 8 4.605 6.955 -0.076 60 HH12 ARG 8 2HH1 ARG 8 4.238 8.572 -0.462 61 HH21 ARG 8 1HH2 ARG 8 7.112 9.138 -2.428 62 HH22 ARG 8 2HH2 ARG 8 5.673 9.842 -1.839 63 H ARG 9 H ARG 9 10.426 2.311 -2.567 64 HA ARG 9 HA ARG 9 12.568 2.351 -1.967 65 HB2 ARG 9 2HB ARG 9 11.708 4.615 -1.267 66 HB3 ARG 9 1HB ARG 9 11.619 3.961 0.363 67 HG2 ARG 9 2HG ARG 9 13.644 5.275 0.101 68 HG3 ARG 9 1HG ARG 9 14.052 3.575 0.336 69 HD2 ARG 9 2HD ARG 9 15.433 4.538 -1.409 70 HD3 ARG 9 1HD ARG 9 14.351 3.338 -2.102 71 HE ARG 9 HE ARG 9 13.258 5.969 -2.200 72 HH11 ARG 9 1HH1 ARG 9 15.421 3.734 -3.904 73 HH12 ARG 9 2HH1 ARG 9 15.315 4.566 -5.375 74 HH21 ARG 9 1HH2 ARG 9 13.152 7.110 -4.281 75 HH22 ARG 9 2HH2 ARG 9 14.027 6.479 -5.595 76 H GLY 10 H GLY 10 11.765 -0.039 -1.324 77 HA2 GLY 10 2HA GLY 10 12.848 -1.742 -0.215 78 HA3 GLY 10 1HA GLY 10 13.405 -0.562 0.963 79 H VAL 11 H VAL 11 10.306 0.231 0.933 80 HA VAL 11 HA VAL 11 9.712 -1.695 3.067 81 HB VAL 11 HB VAL 11 8.518 1.047 2.560 82 HG11 VAL 11 1HG1 VAL 11 8.114 -0.836 4.879 83 HG12 VAL 11 2HG1 VAL 11 6.923 -0.402 3.653 84 HG13 VAL 11 3HG1 VAL 11 7.508 0.817 4.785 85 HG21 VAL 11 3HG2 VAL 11 10.827 1.238 3.283 86 HG22 VAL 11 1HG2 VAL 11 10.515 0.163 4.646 87 HG23 VAL 11 2HG2 VAL 11 9.745 1.748 4.581 88 H CYS 12 H CYS 12 8.222 -3.195 2.543 89 HA CYS 12 HA CYS 12 6.336 -2.415 0.499 90 HB2 CYS 12 2HB CYS 12 7.309 -5.184 1.249 91 HB3 CYS 12 1HB CYS 12 5.900 -4.926 0.229 92 H ARG 13 H ARG 13 4.341 -2.091 1.098 93 HA ARG 13 HA ARG 13 3.508 -3.021 3.755 94 HB2 ARG 13 2HB ARG 13 4.117 -0.711 3.856 95 HB3 ARG 13 1HB ARG 13 3.176 -0.353 2.418 96 HG2 ARG 13 2HG ARG 13 1.123 -0.822 3.621 97 HG3 ARG 13 1HG ARG 13 2.053 -1.222 5.073 98 HD2 ARG 13 2HD ARG 13 2.000 1.439 3.654 99 HD3 ARG 13 1HD ARG 13 1.184 1.056 5.170 100 HE ARG 13 HE ARG 13 3.714 0.453 5.747 101 HH11 ARG 13 1HH1 ARG 13 2.335 3.329 4.244 102 HH12 ARG 13 2HH1 ARG 13 3.523 4.388 4.825 103 HH21 ARG 13 1HH2 ARG 13 5.344 1.875 6.555 104 HH22 ARG 13 2HH2 ARG 13 5.291 3.537 6.188 105 H CYS 14 H CYS 14 1.794 -4.366 3.513 106 HA CYS 14 HA CYS 14 -0.013 -3.867 1.352 107 HB2 CYS 14 2HB CYS 14 -0.096 -5.991 3.509 108 HB3 CYS 14 1HB CYS 14 -1.313 -5.776 2.245 109 H VAL 15 H VAL 15 -1.638 -2.641 1.437 110 HA VAL 15 HA VAL 15 -2.618 -1.870 4.088 111 HB VAL 15 HB VAL 15 -0.981 -0.212 3.369 112 HG11 VAL 15 1HG1 VAL 15 -2.758 0.268 0.998 113 HG12 VAL 15 2HG1 VAL 15 -1.122 -0.389 0.981 114 HG13 VAL 15 3HG1 VAL 15 -1.395 1.283 1.470 115 HG21 VAL 15 3HG2 VAL 15 -2.816 0.516 4.767 116 HG22 VAL 15 1HG2 VAL 15 -3.794 0.852 3.339 117 HG23 VAL 15 2HG2 VAL 15 -2.338 1.801 3.656 118 H ABA 16 H ABU 16 -4.739 -1.428 4.274 119 HA ABA 16 HA ABU 16 -6.461 -2.279 2.145 120 HB3 ABA 16 1HB ABU 16 -7.122 -1.161 4.878 121 HB2 ABA 16 2HB ABU 16 -6.960 -2.866 4.488 122 HG1 ABA 16 3HG ABU 16 -8.875 -2.720 2.986 123 HG3 ABA 16 1HG ABU 16 -9.042 -1.013 3.380 124 HG2 ABA 16 2HG ABU 16 -9.295 -2.227 4.631 125 H ARG 17 H ARG 17 -7.168 -1.000 0.640 126 HA ARG 17 HA ARG 17 -7.313 1.889 1.108 127 HB2 ARG 17 2HB ARG 17 -7.224 0.376 -1.516 128 HB3 ARG 17 1HB ARG 17 -7.111 2.112 -1.302 129 HG2 ARG 17 2HG ARG 17 -5.041 0.179 -0.256 130 HG3 ARG 17 1HG ARG 17 -4.955 0.910 -1.848 131 HD2 ARG 17 2HD ARG 17 -3.531 2.084 -0.263 132 HD3 ARG 17 1HD ARG 17 -4.830 3.146 -0.797 133 HE ARG 17 HE ARG 17 -5.656 1.986 1.584 134 HH11 ARG 17 1HH1 ARG 17 -2.873 3.970 0.606 135 HH12 ARG 17 2HH1 ARG 17 -2.780 4.782 2.099 136 HH21 ARG 17 1HH2 ARG 17 -5.552 3.148 3.582 137 HH22 ARG 17 2HH2 ARG 17 -4.363 4.347 3.799 138 H ARG 18 H ARG 18 -9.287 1.674 2.164 139 HA ARG 18 HA ARG 18 -11.519 1.702 2.429 140 HB2 ARG 18 2HB ARG 18 -11.075 3.311 0.385 141 HB3 ARG 18 1HB ARG 18 -11.927 2.026 -0.474 142 HG2 ARG 18 2HG ARG 18 -13.789 2.261 1.164 143 HG3 ARG 18 1HG ARG 18 -12.967 3.683 1.804 144 HD2 ARG 18 2HD ARG 18 -14.498 4.564 0.294 145 HD3 ARG 18 1HD ARG 18 -12.990 4.515 -0.618 146 HE ARG 18 HE ARG 18 -14.615 2.174 -0.887 147 HH11 ARG 18 1HH1 ARG 18 -13.798 5.323 -2.272 148 HH12 ARG 18 2HH1 ARG 18 -14.653 5.089 -3.716 149 HH21 ARG 18 1HH2 ARG 18 -15.797 1.830 -2.892 150 HH22 ARG 18 2HH2 ARG 18 -15.822 3.026 -4.089 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -10.637 -0.738 2.492 2 HA2 GLY 1 2HA GLY 1 -11.190 -2.918 3.011 3 HA3 GLY 1 1HA GLY 1 -12.464 -2.845 1.805 4 H VAL 2 H VAL 2 -10.212 -1.776 -0.078 5 HA VAL 2 HA VAL 2 -9.498 -4.415 -1.021 6 HB VAL 2 HB VAL 2 -9.046 -1.697 -2.309 7 HG11 VAL 2 1HG1 VAL 2 -8.835 -4.475 -3.473 8 HG12 VAL 2 2HG1 VAL 2 -7.492 -3.375 -3.132 9 HG13 VAL 2 3HG1 VAL 2 -8.674 -2.964 -4.374 10 HG21 VAL 2 3HG2 VAL 2 -11.433 -2.183 -2.061 11 HG22 VAL 2 1HG2 VAL 2 -11.204 -3.743 -2.844 12 HG23 VAL 2 2HG2 VAL 2 -10.952 -2.261 -3.762 13 H ABA 3 H ABU 3 -7.814 -5.181 0.055 14 HA ABA 3 HA ABU 3 -5.658 -3.494 0.917 15 HB3 ABA 3 1HB ABU 3 -5.937 -6.508 1.035 16 HB2 ABA 3 2HB ABU 3 -6.463 -5.405 2.300 17 HG1 ABA 3 3HG ABU 3 -4.324 -6.423 2.845 18 HG3 ABA 3 1HG ABU 3 -4.158 -4.680 2.640 19 HG2 ABA 3 2HG ABU 3 -3.631 -5.771 1.362 20 H ARG 4 H ARG 4 -4.303 -2.837 -0.497 21 HA ARG 4 HA ARG 4 -3.224 -4.746 -2.440 22 HB2 ARG 4 2HB ARG 4 -2.877 -2.813 -3.991 23 HB3 ARG 4 1HB ARG 4 -4.568 -3.195 -3.717 24 HG2 ARG 4 2HG ARG 4 -4.781 -1.325 -2.201 25 HG3 ARG 4 1HG ARG 4 -3.060 -0.973 -2.352 26 HD2 ARG 4 2HD ARG 4 -4.412 0.513 -3.740 27 HD3 ARG 4 1HD ARG 4 -3.340 -0.491 -4.711 28 HE ARG 4 HE ARG 4 -5.607 -1.912 -4.754 29 HH11 ARG 4 1HH1 ARG 4 -5.000 1.518 -5.351 30 HH12 ARG 4 2HH1 ARG 4 -6.265 1.678 -6.484 31 HH21 ARG 4 1HH2 ARG 4 -7.346 -1.677 -6.330 32 HH22 ARG 4 2HH2 ARG 4 -7.619 -0.156 -7.039 33 H CYS 5 H CYS 5 -0.961 -4.531 -2.783 34 HA CYS 5 HA CYS 5 0.181 -3.086 -0.549 35 HB2 CYS 5 2HB CYS 5 1.487 -5.367 -2.013 36 HB3 CYS 5 1HB CYS 5 1.970 -4.673 -0.478 37 H VAL 6 H VAL 6 1.801 -1.819 -0.727 38 HA VAL 6 HA VAL 6 2.626 -0.996 -3.435 39 HB VAL 6 HB VAL 6 2.226 0.826 -1.033 40 HG11 VAL 6 1HG1 VAL 6 3.952 1.624 -2.547 41 HG12 VAL 6 2HG1 VAL 6 2.532 2.669 -2.620 42 HG13 VAL 6 3HG1 VAL 6 2.835 1.504 -3.906 43 HG21 VAL 6 3HG2 VAL 6 0.479 0.506 -3.472 44 HG22 VAL 6 1HG2 VAL 6 0.295 1.771 -2.255 45 HG23 VAL 6 2HG2 VAL 6 0.053 0.082 -1.812 46 H CYS 7 H CYS 7 4.803 -1.008 -3.656 47 HA CYS 7 HA CYS 7 6.331 -1.265 -1.185 48 HB2 CYS 7 2HB CYS 7 7.200 -2.022 -3.955 49 HB3 CYS 7 1HB CYS 7 8.082 -2.307 -2.470 50 H ARG 8 H ARG 8 7.800 0.052 -0.646 51 HA ARG 8 HA ARG 8 8.881 2.062 -2.367 52 HB2 ARG 8 2HB ARG 8 6.610 2.970 -1.992 53 HB3 ARG 8 1HB ARG 8 6.873 2.903 -0.259 54 HG2 ARG 8 2HG ARG 8 8.621 4.551 -0.426 55 HG3 ARG 8 1HG ARG 8 8.482 4.556 -2.180 56 HD2 ARG 8 2HD ARG 8 6.161 5.309 -1.960 57 HD3 ARG 8 1HD ARG 8 6.374 5.391 -0.209 58 HE ARG 8 HE ARG 8 8.226 6.982 -0.743 59 HH11 ARG 8 1HH1 ARG 8 5.385 6.649 -2.824 60 HH12 ARG 8 2HH1 ARG 8 5.416 8.230 -3.416 61 HH21 ARG 8 1HH2 ARG 8 8.311 9.177 -1.543 62 HH22 ARG 8 2HH2 ARG 8 7.156 9.735 -2.654 63 H ARG 9 H ARG 9 10.610 3.079 -1.408 64 HA ARG 9 HA ARG 9 12.407 3.319 -0.145 65 HB2 ARG 9 2HB ARG 9 10.556 4.245 1.459 66 HB3 ARG 9 1HB ARG 9 10.848 2.736 2.326 67 HG2 ARG 9 2HG ARG 9 13.198 3.313 2.594 68 HG3 ARG 9 1HG ARG 9 12.936 4.811 1.705 69 HD2 ARG 9 2HD ARG 9 12.941 5.414 3.961 70 HD3 ARG 9 1HD ARG 9 11.247 5.398 3.483 71 HE ARG 9 HE ARG 9 11.990 2.905 4.586 72 HH11 ARG 9 1HH1 ARG 9 11.187 6.223 5.506 73 HH12 ARG 9 2HH1 ARG 9 10.864 5.871 7.133 74 HH21 ARG 9 1HH2 ARG 9 11.565 2.392 6.810 75 HH22 ARG 9 2HH2 ARG 9 11.098 3.608 7.917 76 H GLY 10 H GLY 10 11.703 0.766 -1.140 77 HA2 GLY 10 2HA GLY 10 12.747 -1.267 -1.179 78 HA3 GLY 10 1HA GLY 10 13.653 -0.767 0.238 79 H VAL 11 H VAL 11 10.319 -0.430 0.835 80 HA VAL 11 HA VAL 11 10.174 -3.160 1.887 81 HB VAL 11 HB VAL 11 8.976 -2.379 3.874 82 HG11 VAL 11 1HG1 VAL 11 11.377 -2.587 4.066 83 HG12 VAL 11 2HG1 VAL 11 10.786 -1.272 5.083 84 HG13 VAL 11 3HG1 VAL 11 11.574 -0.916 3.544 85 HG21 VAL 11 3HG2 VAL 11 7.923 -0.372 2.990 86 HG22 VAL 11 1HG2 VAL 11 9.492 0.424 2.885 87 HG23 VAL 11 2HG2 VAL 11 8.821 0.009 4.460 88 H CYS 12 H CYS 12 7.793 -3.740 2.368 89 HA CYS 12 HA CYS 12 6.169 -2.480 0.331 90 HB2 CYS 12 2HB CYS 12 6.397 -5.442 0.902 91 HB3 CYS 12 1HB CYS 12 5.167 -4.728 -0.130 92 H ARG 13 H ARG 13 4.342 -1.759 1.009 93 HA ARG 13 HA ARG 13 3.423 -2.519 3.691 94 HB2 ARG 13 2HB ARG 13 4.172 -0.225 3.520 95 HB3 ARG 13 1HB ARG 13 3.173 0.024 2.111 96 HG2 ARG 13 2HG ARG 13 1.143 -0.160 3.403 97 HG3 ARG 13 1HG ARG 13 2.052 -0.592 4.855 98 HD2 ARG 13 2HD ARG 13 2.214 2.020 3.351 99 HD3 ARG 13 1HD ARG 13 1.345 1.749 4.861 100 HE ARG 13 HE ARG 13 3.983 0.948 5.212 101 HH11 ARG 13 1HH1 ARG 13 2.190 3.971 4.660 102 HH12 ARG 13 2HH1 ARG 13 3.263 4.935 5.554 103 HH21 ARG 13 1HH2 ARG 13 5.468 2.295 6.438 104 HH22 ARG 13 2HH2 ARG 13 5.178 3.964 6.566 105 H CYS 14 H CYS 14 1.442 -3.486 3.757 106 HA CYS 14 HA CYS 14 -0.059 -3.322 1.323 107 HB2 CYS 14 2HB CYS 14 -0.416 -5.194 3.653 108 HB3 CYS 14 1HB CYS 14 -1.405 -5.129 2.182 109 H VAL 15 H VAL 15 -1.580 -2.058 1.085 110 HA VAL 15 HA VAL 15 -2.515 -0.602 3.461 111 HB VAL 15 HB VAL 15 -2.577 0.424 0.623 112 HG11 VAL 15 1HG1 VAL 15 -2.693 2.604 1.714 113 HG12 VAL 15 2HG1 VAL 15 -2.697 1.804 3.285 114 HG13 VAL 15 3HG1 VAL 15 -4.037 1.552 2.161 115 HG21 VAL 15 3HG2 VAL 15 -0.426 0.931 2.669 116 HG22 VAL 15 1HG2 VAL 15 -0.530 1.659 1.071 117 HG23 VAL 15 2HG2 VAL 15 -0.234 -0.075 1.228 118 H ABA 16 H ABU 16 -4.595 -0.813 3.963 119 HA ABA 16 HA ABU 16 -6.452 -2.115 2.169 120 HB3 ABA 16 1HB ABU 16 -8.036 -1.940 4.082 121 HB2 ABA 16 2HB ABU 16 -6.810 -1.061 4.986 122 HG1 ABA 16 3HG ABU 16 -5.349 -3.011 4.915 123 HG3 ABA 16 1HG ABU 16 -6.577 -3.895 4.016 124 HG2 ABA 16 2HG ABU 16 -6.899 -3.382 5.670 125 H ARG 17 H ARG 17 -6.901 -0.776 0.549 126 HA ARG 17 HA ARG 17 -7.786 1.945 1.142 127 HB2 ARG 17 2HB ARG 17 -7.197 0.619 -1.521 128 HB3 ARG 17 1HB ARG 17 -7.583 2.310 -1.271 129 HG2 ARG 17 2HG ARG 17 -5.131 0.891 -0.258 130 HG3 ARG 17 1HG ARG 17 -5.200 2.000 -1.625 131 HD2 ARG 17 2HD ARG 17 -5.823 2.695 1.248 132 HD3 ARG 17 1HD ARG 17 -4.334 3.069 0.402 133 HE ARG 17 HE ARG 17 -6.020 4.259 -1.202 134 HH11 ARG 17 1HH1 ARG 17 -6.075 4.296 2.339 135 HH12 ARG 17 2HH1 ARG 17 -6.738 5.865 2.433 136 HH21 ARG 17 1HH2 ARG 17 -6.920 6.400 -1.040 137 HH22 ARG 17 2HH2 ARG 17 -7.202 7.086 0.494 138 H ARG 18 H ARG 18 -9.813 1.762 1.838 139 HA ARG 18 HA ARG 18 -12.046 1.447 1.866 140 HB2 ARG 18 2HB ARG 18 -11.815 2.745 -0.290 141 HB3 ARG 18 1HB ARG 18 -11.773 1.185 -1.095 142 HG2 ARG 18 2HG ARG 18 -14.051 0.722 -0.417 143 HG3 ARG 18 1HG ARG 18 -14.105 2.228 0.503 144 HD2 ARG 18 2HD ARG 18 -13.806 3.501 -1.553 145 HD3 ARG 18 1HD ARG 18 -13.704 2.003 -2.476 146 HE ARG 18 HE ARG 18 -16.064 1.710 -1.328 147 HH11 ARG 18 1HH1 ARG 18 -14.741 4.563 -2.967 148 HH12 ARG 18 2HH1 ARG 18 -16.253 5.097 -3.516 149 HH21 ARG 18 1HH2 ARG 18 -18.130 2.490 -2.062 150 HH22 ARG 18 2HH2 ARG 18 -18.221 3.909 -2.984 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -10.414 -0.645 1.983 2 HA2 GLY 1 2HA GLY 1 -11.628 -2.621 2.184 3 HA3 GLY 1 1HA GLY 1 -12.494 -2.185 0.717 4 H VAL 2 H VAL 2 -9.817 -1.623 -0.631 5 HA VAL 2 HA VAL 2 -9.351 -4.404 -1.388 6 HB VAL 2 HB VAL 2 -8.393 -1.840 -2.705 7 HG11 VAL 2 1HG1 VAL 2 -6.939 -3.735 -3.205 8 HG12 VAL 2 2HG1 VAL 2 -7.847 -3.248 -4.634 9 HG13 VAL 2 3HG1 VAL 2 -8.336 -4.679 -3.724 10 HG21 VAL 2 3HG2 VAL 2 -10.089 -2.289 -4.420 11 HG22 VAL 2 1HG2 VAL 2 -10.815 -2.029 -2.833 12 HG23 VAL 2 2HG2 VAL 2 -10.668 -3.663 -3.474 13 H ABA 3 H ABU 3 -7.937 -5.247 0.091 14 HA ABA 3 HA ABU 3 -5.729 -3.768 1.105 15 HB3 ABA 3 1HB ABU 3 -6.100 -6.776 1.001 16 HB2 ABA 3 2HB ABU 3 -6.659 -5.736 2.309 17 HG1 ABA 3 3HG ABU 3 -3.791 -6.143 1.495 18 HG3 ABA 3 1HG ABU 3 -4.586 -6.877 2.887 19 HG2 ABA 3 2HG ABU 3 -4.351 -5.126 2.817 20 H ARG 4 H ARG 4 -4.271 -3.025 -0.157 21 HA ARG 4 HA ARG 4 -3.052 -4.779 -2.132 22 HB2 ARG 4 2HB ARG 4 -4.641 -3.284 -3.276 23 HB3 ARG 4 1HB ARG 4 -3.883 -1.895 -2.519 24 HG2 ARG 4 2HG ARG 4 -1.898 -2.193 -3.786 25 HG3 ARG 4 1HG ARG 4 -2.453 -3.762 -4.378 26 HD2 ARG 4 2HD ARG 4 -3.807 -1.127 -4.933 27 HD3 ARG 4 1HD ARG 4 -2.726 -1.964 -6.056 28 HE ARG 4 HE ARG 4 -4.664 -3.767 -5.319 29 HH11 ARG 4 1HH1 ARG 4 -4.608 -0.677 -7.029 30 HH12 ARG 4 2HH1 ARG 4 -5.947 -1.044 -8.012 31 HH21 ARG 4 1HH2 ARG 4 -6.487 -4.257 -6.624 32 HH22 ARG 4 2HH2 ARG 4 -7.070 -3.116 -7.744 33 H CYS 5 H CYS 5 -0.815 -4.333 -2.388 34 HA CYS 5 HA CYS 5 0.115 -2.951 -0.028 35 HB2 CYS 5 2HB CYS 5 1.714 -4.891 -1.658 36 HB3 CYS 5 1HB CYS 5 1.986 -4.392 0.001 37 H VAL 6 H VAL 6 1.463 -1.469 -0.041 38 HA VAL 6 HA VAL 6 2.100 -0.234 -2.636 39 HB VAL 6 HB VAL 6 1.934 1.105 0.091 40 HG11 VAL 6 1HG1 VAL 6 2.260 2.320 -2.650 41 HG12 VAL 6 2HG1 VAL 6 3.487 2.250 -1.385 42 HG13 VAL 6 3HG1 VAL 6 2.036 3.222 -1.150 43 HG21 VAL 6 3HG2 VAL 6 -0.286 0.407 -0.652 44 HG22 VAL 6 1HG2 VAL 6 -0.031 1.212 -2.201 45 HG23 VAL 6 2HG2 VAL 6 -0.134 2.163 -0.717 46 H CYS 7 H CYS 7 4.197 -0.121 -3.168 47 HA CYS 7 HA CYS 7 6.101 -0.849 -1.086 48 HB2 CYS 7 2HB CYS 7 6.396 -0.961 -4.056 49 HB3 CYS 7 1HB CYS 7 7.588 -1.460 -2.875 50 H ARG 8 H ARG 8 7.511 0.398 -0.491 51 HA ARG 8 HA ARG 8 8.264 2.725 -2.050 52 HB2 ARG 8 2HB ARG 8 6.269 3.428 -0.714 53 HB3 ARG 8 1HB ARG 8 7.175 3.056 0.746 54 HG2 ARG 8 2HG ARG 8 8.848 4.717 0.145 55 HG3 ARG 8 1HG ARG 8 7.947 5.068 -1.331 56 HD2 ARG 8 2HD ARG 8 6.027 5.752 0.045 57 HD3 ARG 8 1HD ARG 8 7.007 5.489 1.492 58 HE ARG 8 HE ARG 8 8.342 7.173 -0.325 59 HH11 ARG 8 1HH1 ARG 8 5.725 7.218 2.026 60 HH12 ARG 8 2HH1 ARG 8 5.846 8.887 2.349 61 HH21 ARG 8 1HH2 ARG 8 8.497 9.424 0.049 62 HH22 ARG 8 2HH2 ARG 8 7.440 10.201 1.145 63 H ARG 9 H ARG 9 10.336 2.844 -1.957 64 HA ARG 9 HA ARG 9 12.491 2.731 -1.352 65 HB2 ARG 9 2HB ARG 9 11.526 4.321 0.403 66 HB3 ARG 9 1HB ARG 9 11.561 2.920 1.474 67 HG2 ARG 9 2HG ARG 9 13.976 2.747 1.174 68 HG3 ARG 9 1HG ARG 9 13.928 4.156 0.120 69 HD2 ARG 9 2HD ARG 9 13.042 5.497 1.963 70 HD3 ARG 9 1HD ARG 9 13.173 4.092 3.025 71 HE ARG 9 HE ARG 9 15.620 4.505 1.794 72 HH11 ARG 9 1HH1 ARG 9 13.583 5.950 4.272 73 HH12 ARG 9 2HH1 ARG 9 14.836 6.808 5.046 74 HH21 ARG 9 1HH2 ARG 9 17.380 5.659 2.851 75 HH22 ARG 9 2HH2 ARG 9 17.036 6.662 4.197 76 H GLY 10 H GLY 10 11.258 0.333 -1.798 77 HA2 GLY 10 2HA GLY 10 11.960 -1.837 -1.767 78 HA3 GLY 10 1HA GLY 10 13.082 -1.417 -0.485 79 H VAL 11 H VAL 11 10.199 -0.281 0.565 80 HA VAL 11 HA VAL 11 9.740 -2.702 2.154 81 HB VAL 11 HB VAL 11 8.799 0.128 2.642 82 HG11 VAL 11 1HG1 VAL 11 7.396 -1.550 3.717 83 HG12 VAL 11 2HG1 VAL 11 8.293 -0.612 4.906 84 HG13 VAL 11 3HG1 VAL 11 8.816 -2.243 4.506 85 HG21 VAL 11 3HG2 VAL 11 11.196 0.106 2.788 86 HG22 VAL 11 1HG2 VAL 11 11.146 -1.321 3.826 87 HG23 VAL 11 2HG2 VAL 11 10.513 0.213 4.412 88 H CYS 12 H CYS 12 7.946 -3.831 1.590 89 HA CYS 12 HA CYS 12 5.926 -2.275 0.245 90 HB2 CYS 12 2HB CYS 12 6.361 -5.272 0.184 91 HB3 CYS 12 1HB CYS 12 5.021 -4.441 -0.591 92 H ARG 13 H ARG 13 4.246 -1.783 1.308 93 HA ARG 13 HA ARG 13 3.694 -3.207 3.797 94 HB2 ARG 13 2HB ARG 13 4.518 -0.981 4.164 95 HB3 ARG 13 1HB ARG 13 3.348 -0.320 3.037 96 HG2 ARG 13 2HG ARG 13 1.531 -0.968 4.516 97 HG3 ARG 13 1HG ARG 13 2.697 -1.642 5.660 98 HD2 ARG 13 2HD ARG 13 3.706 0.551 5.929 99 HD3 ARG 13 1HD ARG 13 2.574 1.226 4.758 100 HE ARG 13 HE ARG 13 0.792 0.593 6.339 101 HH11 ARG 13 1HH1 ARG 13 4.092 1.056 7.582 102 HH12 ARG 13 2HH1 ARG 13 3.572 1.568 9.111 103 HH21 ARG 13 1HH2 ARG 13 0.104 1.244 8.431 104 HH22 ARG 13 2HH2 ARG 13 1.246 1.618 9.633 105 H CYS 14 H CYS 14 1.761 -4.142 3.900 106 HA CYS 14 HA CYS 14 -0.028 -3.645 1.722 107 HB2 CYS 14 2HB CYS 14 -0.152 -5.741 3.878 108 HB3 CYS 14 1HB CYS 14 -1.259 -5.590 2.500 109 H VAL 15 H VAL 15 -1.709 -2.456 1.764 110 HA VAL 15 HA VAL 15 -2.712 -1.522 4.374 111 HB VAL 15 HB VAL 15 -2.341 0.206 1.903 112 HG11 VAL 15 1HG1 VAL 15 -2.776 2.083 3.410 113 HG12 VAL 15 2HG1 VAL 15 -3.099 0.946 4.719 114 HG13 VAL 15 3HG1 VAL 15 -4.145 0.976 3.301 115 HG21 VAL 15 3HG2 VAL 15 -0.511 1.340 3.113 116 HG22 VAL 15 1HG2 VAL 15 -0.147 -0.353 2.777 117 HG23 VAL 15 2HG2 VAL 15 -0.638 0.131 4.396 118 H ABA 16 H ABU 16 -4.937 -1.221 4.430 119 HA ABA 16 HA ABU 16 -6.483 -2.374 2.317 120 HB3 ABA 16 1HB ABU 16 -8.435 -1.767 3.747 121 HB2 ABA 16 2HB ABU 16 -7.329 -0.969 4.863 122 HG1 ABA 16 3HG ABU 16 -7.946 -3.175 5.665 123 HG3 ABA 16 1HG ABU 16 -6.224 -3.100 5.295 124 HG2 ABA 16 2HG ABU 16 -7.332 -3.899 4.179 125 H ARG 17 H ARG 17 -6.561 -1.261 0.515 126 HA ARG 17 HA ARG 17 -6.734 1.628 0.529 127 HB2 ARG 17 2HB ARG 17 -6.586 -0.299 -1.807 128 HB3 ARG 17 1HB ARG 17 -6.279 1.430 -1.846 129 HG2 ARG 17 2HG ARG 17 -4.591 -0.547 -0.314 130 HG3 ARG 17 1HG ARG 17 -4.229 0.032 -1.938 131 HD2 ARG 17 2HD ARG 17 -4.558 1.858 0.427 132 HD3 ARG 17 1HD ARG 17 -3.005 1.193 -0.078 133 HE ARG 17 HE ARG 17 -3.959 2.235 -2.335 134 HH11 ARG 17 1HH1 ARG 17 -3.593 3.702 0.891 135 HH12 ARG 17 2HH1 ARG 17 -3.269 5.250 0.275 136 HH21 ARG 17 1HH2 ARG 17 -3.466 4.327 -3.134 137 HH22 ARG 17 2HH2 ARG 17 -3.178 5.625 -2.070 138 H ARG 18 H ARG 18 -8.815 1.643 1.456 139 HA ARG 18 HA ARG 18 -11.053 1.764 1.516 140 HB2 ARG 18 2HB ARG 18 -10.562 3.308 -0.395 141 HB3 ARG 18 1HB ARG 18 -10.827 1.927 -1.453 142 HG2 ARG 18 2HG ARG 18 -13.142 1.776 -0.718 143 HG3 ARG 18 1HG ARG 18 -12.881 3.130 0.380 144 HD2 ARG 18 2HD ARG 18 -12.464 4.607 -1.477 145 HD3 ARG 18 1HD ARG 18 -12.577 3.255 -2.608 146 HE ARG 18 HE ARG 18 -14.916 3.241 -1.207 147 HH11 ARG 18 1HH1 ARG 18 -13.291 5.567 -3.292 148 HH12 ARG 18 2HH1 ARG 18 -14.726 6.300 -3.837 149 HH21 ARG 18 1HH2 ARG 18 -16.893 4.206 -1.983 150 HH22 ARG 18 2HH2 ARG 18 -16.825 5.493 -3.091 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -11.212 -1.143 1.980 2 HA2 GLY 1 2HA GLY 1 -12.246 -3.226 2.265 3 HA3 GLY 1 1HA GLY 1 -13.059 -2.978 0.729 4 H VAL 2 H VAL 2 -10.309 -2.125 -0.394 5 HA VAL 2 HA VAL 2 -9.578 -4.892 -1.032 6 HB VAL 2 HB VAL 2 -9.107 -2.358 -2.636 7 HG11 VAL 2 1HG1 VAL 2 -8.361 -3.828 -4.437 8 HG12 VAL 2 2HG1 VAL 2 -8.553 -5.225 -3.378 9 HG13 VAL 2 3HG1 VAL 2 -7.335 -4.006 -3.012 10 HG21 VAL 2 3HG2 VAL 2 -10.991 -4.663 -3.131 11 HG22 VAL 2 1HG2 VAL 2 -10.759 -3.271 -4.189 12 HG23 VAL 2 2HG2 VAL 2 -11.458 -3.055 -2.581 13 H ABA 3 H ABU 3 -7.664 -5.656 -0.508 14 HA ABA 3 HA ABU 3 -5.773 -4.054 0.939 15 HB3 ABA 3 1HB ABU 3 -5.701 -6.939 0.024 16 HB2 ABA 3 2HB ABU 3 -6.161 -6.347 1.618 17 HG1 ABA 3 3HG ABU 3 -3.947 -7.276 1.694 18 HG3 ABA 3 1HG ABU 3 -3.899 -5.534 1.979 19 HG2 ABA 3 2HG ABU 3 -3.422 -6.182 0.409 20 H ARG 4 H ARG 4 -4.572 -2.652 -0.193 21 HA ARG 4 HA ARG 4 -3.338 -3.659 -2.645 22 HB2 ARG 4 2HB ARG 4 -4.200 -0.841 -1.970 23 HB3 ARG 4 1HB ARG 4 -3.176 -1.246 -3.339 24 HG2 ARG 4 2HG ARG 4 -6.017 -2.172 -2.902 25 HG3 ARG 4 1HG ARG 4 -5.474 -0.946 -4.051 26 HD2 ARG 4 2HD ARG 4 -4.769 -3.888 -4.096 27 HD3 ARG 4 1HD ARG 4 -5.830 -3.038 -5.215 28 HE ARG 4 HE ARG 4 -3.760 -1.659 -5.680 29 HH11 ARG 4 1HH1 ARG 4 -3.729 -5.186 -5.110 30 HH12 ARG 4 2HH1 ARG 4 -2.253 -5.429 -5.924 31 HH21 ARG 4 1HH2 ARG 4 -1.704 -2.037 -6.762 32 HH22 ARG 4 2HH2 ARG 4 -1.059 -3.600 -6.857 33 H CYS 5 H CYS 5 -1.149 -3.408 -2.855 34 HA CYS 5 HA CYS 5 0.027 -2.408 -0.419 35 HB2 CYS 5 2HB CYS 5 1.248 -4.435 -2.283 36 HB3 CYS 5 1HB CYS 5 1.901 -3.911 -0.752 37 H VAL 6 H VAL 6 1.762 -1.120 -0.524 38 HA VAL 6 HA VAL 6 2.659 -0.185 -3.156 39 HB VAL 6 HB VAL 6 2.236 1.543 -0.679 40 HG11 VAL 6 1HG1 VAL 6 2.793 3.438 -2.135 41 HG12 VAL 6 2HG1 VAL 6 3.127 2.318 -3.453 42 HG13 VAL 6 3HG1 VAL 6 4.131 2.296 -2.006 43 HG21 VAL 6 3HG2 VAL 6 0.094 0.979 -1.705 44 HG22 VAL 6 1HG2 VAL 6 0.684 1.523 -3.276 45 HG23 VAL 6 2HG2 VAL 6 0.467 2.682 -1.962 46 H CYS 7 H CYS 7 4.795 -0.476 -3.337 47 HA CYS 7 HA CYS 7 6.316 -0.895 -0.884 48 HB2 CYS 7 2HB CYS 7 6.936 -1.769 -3.696 49 HB3 CYS 7 1HB CYS 7 7.954 -2.061 -2.294 50 H ARG 8 H ARG 8 8.217 0.122 -0.520 51 HA ARG 8 HA ARG 8 9.030 2.157 -2.389 52 HB2 ARG 8 2HB ARG 8 7.213 3.243 -1.140 53 HB3 ARG 8 1HB ARG 8 8.052 2.909 0.368 54 HG2 ARG 8 2HG ARG 8 8.316 5.237 -0.374 55 HG3 ARG 8 1HG ARG 8 9.858 4.387 -0.272 56 HD2 ARG 8 2HD ARG 8 9.701 5.753 -2.311 57 HD3 ARG 8 1HD ARG 8 9.863 4.041 -2.681 58 HE ARG 8 HE ARG 8 7.217 5.283 -2.637 59 HH11 ARG 8 1HH1 ARG 8 9.750 3.560 -4.456 60 HH12 ARG 8 2HH1 ARG 8 8.907 3.554 -5.912 61 HH21 ARG 8 1HH2 ARG 8 6.030 5.256 -4.687 62 HH22 ARG 8 2HH2 ARG 8 6.741 4.538 -6.051 63 H ARG 9 H ARG 9 11.091 1.979 -2.497 64 HA ARG 9 HA ARG 9 13.273 1.815 -2.086 65 HB2 ARG 9 2HB ARG 9 12.579 3.877 -0.715 66 HB3 ARG 9 1HB ARG 9 12.738 2.801 0.669 67 HG2 ARG 9 2HG ARG 9 15.100 2.371 -0.027 68 HG3 ARG 9 1HG ARG 9 14.913 3.649 -1.229 69 HD2 ARG 9 2HD ARG 9 15.952 4.559 0.752 70 HD3 ARG 9 1HD ARG 9 14.316 5.211 0.603 71 HE ARG 9 HE ARG 9 14.028 3.000 2.144 72 HH11 ARG 9 1HH1 ARG 9 15.910 5.962 2.459 73 HH12 ARG 9 2HH1 ARG 9 16.025 5.883 4.145 74 HH21 ARG 9 1HH2 ARG 9 14.112 2.906 4.472 75 HH22 ARG 9 2HH2 ARG 9 14.949 4.115 5.305 76 H GLY 10 H GLY 10 11.791 -0.550 -1.578 77 HA2 GLY 10 2HA GLY 10 12.876 -2.602 -1.069 78 HA3 GLY 10 1HA GLY 10 13.692 -1.749 0.227 79 H VAL 11 H VAL 11 10.782 -0.599 0.847 80 HA VAL 11 HA VAL 11 10.083 -3.004 2.379 81 HB VAL 11 HB VAL 11 9.048 -1.653 4.095 82 HG11 VAL 11 1HG1 VAL 11 11.821 -0.696 3.497 83 HG12 VAL 11 2HG1 VAL 11 11.350 -2.085 4.476 84 HG13 VAL 11 3HG1 VAL 11 10.988 -0.448 5.029 85 HG21 VAL 11 3HG2 VAL 11 9.198 0.828 4.115 86 HG22 VAL 11 1HG2 VAL 11 8.192 0.202 2.805 87 HG23 VAL 11 2HG2 VAL 11 9.820 0.759 2.459 88 H CYS 12 H CYS 12 7.741 -3.246 2.810 89 HA CYS 12 HA CYS 12 6.242 -2.057 0.677 90 HB2 CYS 12 2HB CYS 12 6.333 -4.981 1.369 91 HB3 CYS 12 1HB CYS 12 5.049 -4.267 0.396 92 H ARG 13 H ARG 13 4.475 -1.186 1.287 93 HA ARG 13 HA ARG 13 3.431 -1.779 3.948 94 HB2 ARG 13 2HB ARG 13 4.232 0.472 3.689 95 HB3 ARG 13 1HB ARG 13 3.346 0.671 2.198 96 HG2 ARG 13 2HG ARG 13 2.205 1.910 3.919 97 HG3 ARG 13 1HG ARG 13 1.215 0.518 3.502 98 HD2 ARG 13 2HD ARG 13 3.094 0.551 5.857 99 HD3 ARG 13 1HD ARG 13 1.430 1.098 5.972 100 HE ARG 13 HE ARG 13 0.824 -1.225 5.238 101 HH11 ARG 13 1HH1 ARG 13 3.884 -0.600 6.972 102 HH12 ARG 13 2HH1 ARG 13 3.931 -2.130 7.691 103 HH21 ARG 13 1HH2 ARG 13 0.898 -3.343 6.300 104 HH22 ARG 13 2HH2 ARG 13 2.214 -3.697 7.306 105 H CYS 14 H CYS 14 1.945 -3.340 3.547 106 HA CYS 14 HA CYS 14 0.098 -2.915 1.409 107 HB2 CYS 14 2HB CYS 14 0.237 -5.069 3.515 108 HB3 CYS 14 1HB CYS 14 -1.010 -4.975 2.277 109 H VAL 15 H VAL 15 -1.766 -1.999 1.540 110 HA VAL 15 HA VAL 15 -2.874 -1.560 4.184 111 HB VAL 15 HB VAL 15 -1.561 0.422 3.728 112 HG11 VAL 15 1HG1 VAL 15 -2.067 1.961 1.879 113 HG12 VAL 15 2HG1 VAL 15 -3.185 0.766 1.218 114 HG13 VAL 15 3HG1 VAL 15 -1.464 0.401 1.320 115 HG21 VAL 15 3HG2 VAL 15 -3.308 2.141 3.962 116 HG22 VAL 15 1HG2 VAL 15 -3.611 0.733 4.983 117 HG23 VAL 15 2HG2 VAL 15 -4.517 0.951 3.482 118 H ABA 16 H ABU 16 -4.966 -1.878 4.258 119 HA ABA 16 HA ABU 16 -6.353 -2.416 1.803 120 HB3 ABA 16 1HB ABU 16 -6.797 -3.945 3.633 121 HB2 ABA 16 2HB ABU 16 -8.270 -3.055 3.275 122 HG1 ABA 16 3HG ABU 16 -7.854 -1.595 5.175 123 HG3 ABA 16 1HG ABU 16 -6.397 -2.509 5.558 124 HG2 ABA 16 2HG ABU 16 -7.978 -3.284 5.650 125 H ARG 17 H ARG 17 -7.486 -1.092 0.727 126 HA ARG 17 HA ARG 17 -8.361 1.386 2.011 127 HB2 ARG 17 2HB ARG 17 -7.347 1.109 -0.811 128 HB3 ARG 17 1HB ARG 17 -7.866 2.591 -0.031 129 HG2 ARG 17 2HG ARG 17 -5.956 2.345 1.555 130 HG3 ARG 17 1HG ARG 17 -5.424 0.952 0.611 131 HD2 ARG 17 2HD ARG 17 -5.684 3.801 -0.345 132 HD3 ARG 17 1HD ARG 17 -4.192 2.900 -0.071 133 HE ARG 17 HE ARG 17 -5.986 1.707 -1.974 134 HH11 ARG 17 1HH1 ARG 17 -3.257 3.924 -1.567 135 HH12 ARG 17 2HH1 ARG 17 -2.824 3.881 -3.218 136 HH21 ARG 17 1HH2 ARG 17 -5.388 1.644 -4.174 137 HH22 ARG 17 2HH2 ARG 17 -4.029 2.512 -4.726 138 H ARG 18 H ARG 18 -10.444 1.483 1.967 139 HA ARG 18 HA ARG 18 -12.614 1.231 1.450 140 HB2 ARG 18 2HB ARG 18 -11.748 2.695 -0.405 141 HB3 ARG 18 1HB ARG 18 -11.632 1.228 -1.362 142 HG2 ARG 18 2HG ARG 18 -14.048 0.940 -1.256 143 HG3 ARG 18 1HG ARG 18 -14.188 2.386 -0.253 144 HD2 ARG 18 2HD ARG 18 -14.706 2.902 -2.579 145 HD3 ARG 18 1HD ARG 18 -13.235 3.726 -2.063 146 HE ARG 18 HE ARG 18 -13.136 1.196 -3.537 147 HH11 ARG 18 1HH1 ARG 18 -12.268 4.631 -3.331 148 HH12 ARG 18 2HH1 ARG 18 -11.081 4.559 -4.539 149 HH21 ARG 18 1HH2 ARG 18 -11.533 1.101 -5.243 150 HH22 ARG 18 2HH2 ARG 18 -10.651 2.497 -5.655 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -11.818 -1.108 2.234 2 HA2 GLY 1 2HA GLY 1 -12.650 -2.975 1.147 3 HA3 GLY 1 1HA GLY 1 -13.343 -1.885 -0.040 4 H VAL 2 H VAL 2 -10.059 -1.246 0.240 5 HA VAL 2 HA VAL 2 -9.511 -2.886 -2.139 6 HB VAL 2 HB VAL 2 -8.207 -0.275 -1.292 7 HG11 VAL 2 1HG1 VAL 2 -7.875 -1.876 -3.832 8 HG12 VAL 2 2HG1 VAL 2 -6.675 -1.688 -2.552 9 HG13 VAL 2 3HG1 VAL 2 -7.162 -0.293 -3.513 10 HG21 VAL 2 3HG2 VAL 2 -10.196 -0.811 -3.498 11 HG22 VAL 2 1HG2 VAL 2 -9.377 0.725 -3.215 12 HG23 VAL 2 2HG2 VAL 2 -10.503 0.088 -2.016 13 H ABA 3 H ABU 3 -7.793 -4.263 -2.073 14 HA ABA 3 HA ABU 3 -5.941 -4.027 0.169 15 HB3 ABA 3 1HB ABU 3 -7.094 -6.615 -0.906 16 HB2 ABA 3 2HB ABU 3 -7.566 -5.856 0.611 17 HG1 ABA 3 3HG ABU 3 -5.319 -6.163 1.486 18 HG3 ABA 3 1HG ABU 3 -4.816 -6.892 -0.038 19 HG2 ABA 3 2HG ABU 3 -6.015 -7.700 0.972 20 H ARG 4 H ARG 4 -4.140 -3.424 -0.754 21 HA ARG 4 HA ARG 4 -2.929 -5.081 -2.781 22 HB2 ARG 4 2HB ARG 4 -4.257 -3.432 -4.104 23 HB3 ARG 4 1HB ARG 4 -3.398 -2.129 -3.299 24 HG2 ARG 4 2HG ARG 4 -2.479 -2.500 -5.511 25 HG3 ARG 4 1HG ARG 4 -1.288 -2.943 -4.282 26 HD2 ARG 4 2HD ARG 4 -1.986 -5.308 -4.526 27 HD3 ARG 4 1HD ARG 4 -3.078 -4.815 -5.820 28 HE ARG 4 HE ARG 4 -0.501 -3.926 -6.401 29 HH11 ARG 4 1HH1 ARG 4 -2.300 -6.964 -6.142 30 HH12 ARG 4 2HH1 ARG 4 -1.307 -7.792 -7.262 31 HH21 ARG 4 1HH2 ARG 4 0.832 -5.052 -7.907 32 HH22 ARG 4 2HH2 ARG 4 0.507 -6.685 -8.292 33 H CYS 5 H CYS 5 -0.692 -5.080 -2.464 34 HA CYS 5 HA CYS 5 0.272 -3.096 -0.571 35 HB2 CYS 5 2HB CYS 5 1.641 -5.659 -1.375 36 HB3 CYS 5 1HB CYS 5 2.144 -4.560 -0.122 37 H VAL 6 H VAL 6 1.988 -1.900 -0.966 38 HA VAL 6 HA VAL 6 3.129 -1.920 -3.693 39 HB VAL 6 HB VAL 6 2.493 0.539 -2.000 40 HG11 VAL 6 1HG1 VAL 6 3.488 0.362 -4.843 41 HG12 VAL 6 2HG1 VAL 6 4.425 0.865 -3.438 42 HG13 VAL 6 3HG1 VAL 6 3.068 1.847 -3.987 43 HG21 VAL 6 3HG2 VAL 6 0.768 1.081 -3.676 44 HG22 VAL 6 1HG2 VAL 6 0.425 -0.432 -2.830 45 HG23 VAL 6 2HG2 VAL 6 1.074 -0.466 -4.468 46 H CYS 7 H CYS 7 5.447 -1.496 -3.671 47 HA CYS 7 HA CYS 7 6.505 -1.152 -0.980 48 HB2 CYS 7 2HB CYS 7 7.762 -2.848 -3.145 49 HB3 CYS 7 1HB CYS 7 8.414 -2.576 -1.540 50 H ARG 8 H ARG 8 8.170 0.187 -0.713 51 HA ARG 8 HA ARG 8 9.290 1.523 -3.018 52 HB2 ARG 8 2HB ARG 8 7.182 2.742 -2.620 53 HB3 ARG 8 1HB ARG 8 7.642 2.997 -0.945 54 HG2 ARG 8 2HG ARG 8 7.964 5.022 -2.238 55 HG3 ARG 8 1HG ARG 8 9.508 4.402 -1.678 56 HD2 ARG 8 2HD ARG 8 9.649 5.169 -3.999 57 HD3 ARG 8 1HD ARG 8 9.949 3.442 -3.870 58 HE ARG 8 HE ARG 8 7.609 3.142 -4.643 59 HH11 ARG 8 1HH1 ARG 8 9.208 6.219 -5.404 60 HH12 ARG 8 2HH1 ARG 8 8.381 6.437 -6.876 61 HH21 ARG 8 1HH2 ARG 8 6.518 3.442 -6.630 62 HH22 ARG 8 2HH2 ARG 8 6.799 4.812 -7.610 63 H ARG 9 H ARG 9 11.363 1.722 -2.600 64 HA ARG 9 HA ARG 9 13.345 2.034 -1.619 65 HB2 ARG 9 2HB ARG 9 12.249 4.129 -0.772 66 HB3 ARG 9 1HB ARG 9 11.796 3.215 0.657 67 HG2 ARG 9 2HG ARG 9 14.155 2.946 1.240 68 HG3 ARG 9 1HG ARG 9 14.620 3.850 -0.200 69 HD2 ARG 9 2HD ARG 9 13.444 5.805 0.626 70 HD3 ARG 9 1HD ARG 9 12.922 4.903 2.050 71 HE ARG 9 HE ARG 9 15.759 4.971 1.701 72 HH11 ARG 9 1HH1 ARG 9 13.003 6.747 3.031 73 HH12 ARG 9 2HH1 ARG 9 13.931 7.584 4.194 74 HH21 ARG 9 1HH2 ARG 9 17.014 6.124 3.269 75 HH22 ARG 9 2HH2 ARG 9 16.271 7.212 4.338 76 H GLY 10 H GLY 10 11.881 -0.386 -1.299 77 HA2 GLY 10 2HA GLY 10 12.417 -2.425 -0.385 78 HA3 GLY 10 1HA GLY 10 13.444 -1.585 0.769 79 H VAL 11 H VAL 11 10.644 0.043 0.937 80 HA VAL 11 HA VAL 11 9.809 -1.515 3.257 81 HB VAL 11 HB VAL 11 9.240 1.383 2.569 82 HG11 VAL 11 1HG1 VAL 11 8.484 1.583 4.898 83 HG12 VAL 11 2HG1 VAL 11 8.735 -0.153 5.109 84 HG13 VAL 11 3HG1 VAL 11 7.516 0.427 3.980 85 HG21 VAL 11 3HG2 VAL 11 11.607 1.069 3.028 86 HG22 VAL 11 1HG2 VAL 11 11.221 0.249 4.539 87 HG23 VAL 11 2HG2 VAL 11 10.843 1.962 4.341 88 H CYS 12 H CYS 12 7.938 -2.526 3.100 89 HA CYS 12 HA CYS 12 6.328 -1.903 0.815 90 HB2 CYS 12 2HB CYS 12 6.424 -4.403 2.499 91 HB3 CYS 12 1HB CYS 12 5.245 -4.139 1.214 92 H ARG 13 H ARG 13 4.251 -1.502 0.956 93 HA ARG 13 HA ARG 13 3.210 -0.755 3.575 94 HB2 ARG 13 2HB ARG 13 4.263 1.083 2.412 95 HB3 ARG 13 1HB ARG 13 3.323 0.762 0.975 96 HG2 ARG 13 2HG ARG 13 1.275 1.396 2.178 97 HG3 ARG 13 1HG ARG 13 2.232 1.721 3.625 98 HD2 ARG 13 2HD ARG 13 1.800 3.794 2.429 99 HD3 ARG 13 1HD ARG 13 3.516 3.416 2.391 100 HE ARG 13 HE ARG 13 1.746 2.769 0.138 101 HH11 ARG 13 1HH1 ARG 13 4.749 4.274 1.290 102 HH12 ARG 13 2HH1 ARG 13 5.166 4.905 -0.242 103 HH21 ARG 13 1HH2 ARG 13 2.376 3.566 -1.934 104 HH22 ARG 13 2HH2 ARG 13 3.810 4.454 -2.149 105 H CYS 14 H CYS 14 1.513 -2.142 3.753 106 HA CYS 14 HA CYS 14 0.099 -2.846 1.346 107 HB2 CYS 14 2HB CYS 14 -0.017 -4.052 4.096 108 HB3 CYS 14 1HB CYS 14 -1.093 -4.482 2.764 109 H VAL 15 H VAL 15 -1.645 -1.981 0.768 110 HA VAL 15 HA VAL 15 -3.079 -0.337 2.695 111 HB VAL 15 HB VAL 15 -3.356 -0.492 -0.318 112 HG11 VAL 15 1HG1 VAL 15 -4.472 1.505 1.645 113 HG12 VAL 15 2HG1 VAL 15 -5.388 0.299 0.742 114 HG13 VAL 15 3HG1 VAL 15 -4.597 1.625 -0.109 115 HG21 VAL 15 3HG2 VAL 15 -1.891 1.562 1.344 116 HG22 VAL 15 1HG2 VAL 15 -2.165 1.666 -0.395 117 HG23 VAL 15 2HG2 VAL 15 -1.158 0.378 0.262 118 H ABA 16 H ABU 16 -4.505 -1.528 3.675 119 HA ABA 16 HA ABU 16 -6.376 -3.107 2.079 120 HB3 ABA 16 1HB ABU 16 -5.297 -3.874 4.823 121 HB2 ABA 16 2HB ABU 16 -4.821 -4.647 3.318 122 HG1 ABA 16 3HG ABU 16 -7.586 -4.669 4.509 123 HG3 ABA 16 1HG ABU 16 -6.432 -6.004 4.518 124 HG2 ABA 16 2HG ABU 16 -7.112 -5.432 2.994 125 H ARG 17 H ARG 17 -7.628 -1.313 2.064 126 HA ARG 17 HA ARG 17 -9.298 -0.812 4.276 127 HB2 ARG 17 2HB ARG 17 -8.631 1.529 4.686 128 HB3 ARG 17 1HB ARG 17 -7.344 0.411 5.112 129 HG2 ARG 17 2HG ARG 17 -6.416 0.912 2.779 130 HG3 ARG 17 1HG ARG 17 -7.515 2.287 2.782 131 HD2 ARG 17 2HD ARG 17 -5.372 3.030 3.556 132 HD3 ARG 17 1HD ARG 17 -6.489 3.026 4.921 133 HE ARG 17 HE ARG 17 -5.369 0.636 5.193 134 HH11 ARG 17 1HH1 ARG 17 -3.796 3.751 4.537 135 HH12 ARG 17 2HH1 ARG 17 -2.351 3.336 5.335 136 HH21 ARG 17 1HH2 ARG 17 -3.346 0.075 6.230 137 HH22 ARG 17 2HH2 ARG 17 -2.082 1.209 6.301 138 H ARG 18 H ARG 18 -10.924 0.769 3.685 139 HA ARG 18 HA ARG 18 -12.475 1.661 2.315 140 HB2 ARG 18 2HB ARG 18 -10.283 3.006 1.616 141 HB3 ARG 18 1HB ARG 18 -10.492 2.047 0.153 142 HG2 ARG 18 2HG ARG 18 -12.998 3.080 0.552 143 HG3 ARG 18 1HG ARG 18 -11.949 4.401 1.051 144 HD2 ARG 18 2HD ARG 18 -12.346 4.719 -1.254 145 HD3 ARG 18 1HD ARG 18 -10.715 4.061 -1.137 146 HE ARG 18 HE ARG 18 -12.542 1.965 -1.404 147 HH11 ARG 18 1HH1 ARG 18 -10.991 4.464 -3.372 148 HH12 ARG 18 2HH1 ARG 18 -11.320 3.722 -4.861 149 HH21 ARG 18 1HH2 ARG 18 -13.047 0.961 -3.409 150 HH22 ARG 18 2HH2 ARG 18 -12.559 1.627 -4.896 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -10.334 -0.584 2.297 2 HA2 GLY 1 2HA GLY 1 -11.347 -2.644 2.720 3 HA3 GLY 1 1HA GLY 1 -12.457 -2.322 1.392 4 H VAL 2 H VAL 2 -9.885 -1.602 -0.231 5 HA VAL 2 HA VAL 2 -9.458 -4.369 -1.089 6 HB VAL 2 HB VAL 2 -8.649 -1.787 -2.468 7 HG11 VAL 2 1HG1 VAL 2 -8.676 -4.623 -3.506 8 HG12 VAL 2 2HG1 VAL 2 -7.247 -3.661 -3.139 9 HG13 VAL 2 3HG1 VAL 2 -8.309 -3.186 -4.463 10 HG21 VAL 2 3HG2 VAL 2 -11.081 -1.990 -2.335 11 HG22 VAL 2 1HG2 VAL 2 -10.995 -3.606 -3.035 12 HG23 VAL 2 2HG2 VAL 2 -10.527 -2.205 -3.998 13 H ABA 3 H ABU 3 -7.641 -5.392 -0.544 14 HA ABA 3 HA ABU 3 -5.613 -4.018 0.920 15 HB3 ABA 3 1HB ABU 3 -5.686 -6.892 -0.045 16 HB2 ABA 3 2HB ABU 3 -6.332 -6.332 1.488 17 HG1 ABA 3 3HG ABU 3 -4.180 -7.396 1.799 18 HG3 ABA 3 1HG ABU 3 -4.094 -5.683 2.209 19 HG2 ABA 3 2HG ABU 3 -3.441 -6.254 0.675 20 H ARG 4 H ARG 4 -4.935 -2.560 -0.579 21 HA ARG 4 HA ARG 4 -3.608 -3.320 -3.037 22 HB2 ARG 4 2HB ARG 4 -4.952 -1.297 -2.967 23 HB3 ARG 4 1HB ARG 4 -4.070 -0.721 -1.577 24 HG2 ARG 4 2HG ARG 4 -3.470 0.546 -3.541 25 HG3 ARG 4 1HG ARG 4 -2.085 -0.380 -2.989 26 HD2 ARG 4 2HD ARG 4 -3.854 -1.530 -5.087 27 HD3 ARG 4 1HD ARG 4 -2.728 -0.256 -5.544 28 HE ARG 4 HE ARG 4 -1.147 -1.997 -4.244 29 HH11 ARG 4 1HH1 ARG 4 -3.502 -2.515 -6.833 30 HH12 ARG 4 2HH1 ARG 4 -2.590 -3.729 -7.596 31 HH21 ARG 4 1HH2 ARG 4 0.083 -3.628 -5.280 32 HH22 ARG 4 2HH2 ARG 4 -0.514 -4.402 -6.690 33 H CYS 5 H CYS 5 -1.615 -4.223 -2.770 34 HA CYS 5 HA CYS 5 -0.030 -3.197 -0.574 35 HB2 CYS 5 2HB CYS 5 0.700 -5.485 -2.393 36 HB3 CYS 5 1HB CYS 5 1.410 -5.084 -0.852 37 H VAL 6 H VAL 6 1.765 -2.211 -0.789 38 HA VAL 6 HA VAL 6 2.710 -1.596 -3.480 39 HB VAL 6 HB VAL 6 1.145 0.197 -2.847 40 HG11 VAL 6 1HG1 VAL 6 1.625 1.752 -1.011 41 HG12 VAL 6 2HG1 VAL 6 2.946 0.700 -0.497 42 HG13 VAL 6 3HG1 VAL 6 1.285 0.114 -0.449 43 HG21 VAL 6 3HG2 VAL 6 3.013 0.813 -4.280 44 HG22 VAL 6 1HG2 VAL 6 4.022 1.118 -2.868 45 HG23 VAL 6 2HG2 VAL 6 2.626 2.147 -3.193 46 H CYS 7 H CYS 7 4.903 -1.336 -3.610 47 HA CYS 7 HA CYS 7 6.365 -1.386 -1.077 48 HB2 CYS 7 2HB CYS 7 7.298 -2.357 -3.763 49 HB3 CYS 7 1HB CYS 7 8.230 -2.363 -2.279 50 H ARG 8 H ARG 8 7.594 0.129 -0.674 51 HA ARG 8 HA ARG 8 8.542 1.993 -2.710 52 HB2 ARG 8 2HB ARG 8 6.355 2.924 -2.242 53 HB3 ARG 8 1HB ARG 8 6.649 2.851 -0.514 54 HG2 ARG 8 2HG ARG 8 8.358 4.564 -0.698 55 HG3 ARG 8 1HG ARG 8 8.167 4.597 -2.451 56 HD2 ARG 8 2HD ARG 8 5.999 5.257 -0.461 57 HD3 ARG 8 1HD ARG 8 6.982 6.448 -1.313 58 HE ARG 8 HE ARG 8 5.903 4.838 -3.254 59 HH11 ARG 8 1HH1 ARG 8 4.501 6.895 -0.719 60 HH12 ARG 8 2HH1 ARG 8 3.162 7.336 -1.674 61 HH21 ARG 8 1HH2 ARG 8 4.063 5.456 -4.506 62 HH22 ARG 8 2HH2 ARG 8 2.919 6.541 -3.857 63 H ARG 9 H ARG 9 10.507 2.653 -2.247 64 HA ARG 9 HA ARG 9 12.412 3.223 -1.180 65 HB2 ARG 9 2HB ARG 9 10.811 4.753 0.011 66 HB3 ARG 9 1HB ARG 9 10.651 3.507 1.225 67 HG2 ARG 9 2HG ARG 9 12.985 3.799 1.862 68 HG3 ARG 9 1HG ARG 9 13.185 5.015 0.594 69 HD2 ARG 9 2HD ARG 9 11.246 5.196 2.888 70 HD3 ARG 9 1HD ARG 9 12.793 6.025 2.822 71 HE ARG 9 HE ARG 9 11.860 7.060 0.722 72 HH11 ARG 9 1HH1 ARG 9 9.770 6.126 3.443 73 HH12 ARG 9 2HH1 ARG 9 8.609 7.317 3.120 74 HH21 ARG 9 1HH2 ARG 9 10.221 8.696 0.289 75 HH22 ARG 9 2HH2 ARG 9 8.868 8.817 1.298 76 H GLY 10 H GLY 10 11.344 0.424 -1.171 77 HA2 GLY 10 2HA GLY 10 12.444 -1.533 -0.609 78 HA3 GLY 10 1HA GLY 10 13.290 -0.636 0.647 79 H VAL 11 H VAL 11 10.099 0.171 0.910 80 HA VAL 11 HA VAL 11 9.705 -1.862 2.974 81 HB VAL 11 HB VAL 11 8.424 0.879 2.739 82 HG11 VAL 11 1HG1 VAL 11 7.614 0.475 5.017 83 HG12 VAL 11 2HG1 VAL 11 8.306 -1.146 4.976 84 HG13 VAL 11 3HG1 VAL 11 6.992 -0.717 3.876 85 HG21 VAL 11 3HG2 VAL 11 10.605 -0.045 4.611 86 HG22 VAL 11 1HG2 VAL 11 9.802 1.523 4.662 87 HG23 VAL 11 2HG2 VAL 11 10.797 1.089 3.272 88 H CYS 12 H CYS 12 8.225 -3.312 2.463 89 HA CYS 12 HA CYS 12 6.249 -2.553 0.499 90 HB2 CYS 12 2HB CYS 12 7.108 -5.278 1.487 91 HB3 CYS 12 1HB CYS 12 5.737 -5.037 0.414 92 H ARG 13 H ARG 13 4.146 -2.400 1.061 93 HA ARG 13 HA ARG 13 3.345 -3.407 3.658 94 HB2 ARG 13 2HB ARG 13 4.218 -1.160 4.062 95 HB3 ARG 13 1HB ARG 13 3.147 -0.514 2.837 96 HG2 ARG 13 2HG ARG 13 1.227 -0.955 4.167 97 HG3 ARG 13 1HG ARG 13 2.181 -1.865 5.350 98 HD2 ARG 13 2HD ARG 13 3.461 0.183 5.832 99 HD3 ARG 13 1HD ARG 13 2.450 1.067 4.695 100 HE ARG 13 HE ARG 13 0.626 0.090 6.339 101 HH11 ARG 13 1HH1 ARG 13 3.762 1.541 7.167 102 HH12 ARG 13 2HH1 ARG 13 3.224 2.333 8.552 103 HH21 ARG 13 1HH2 ARG 13 -0.156 1.195 8.270 104 HH22 ARG 13 2HH2 ARG 13 0.922 2.151 9.181 105 H CYS 14 H CYS 14 1.461 -4.353 3.457 106 HA CYS 14 HA CYS 14 -0.190 -3.689 1.230 107 HB2 CYS 14 2HB CYS 14 -0.547 -5.774 3.380 108 HB3 CYS 14 1HB CYS 14 -1.701 -5.416 2.087 109 H VAL 15 H VAL 15 -1.609 -2.229 1.297 110 HA VAL 15 HA VAL 15 -2.506 -1.339 3.956 111 HB VAL 15 HB VAL 15 -2.310 0.398 1.476 112 HG11 VAL 15 1HG1 VAL 15 -2.796 1.130 4.366 113 HG12 VAL 15 2HG1 VAL 15 -3.995 1.133 3.078 114 HG13 VAL 15 3HG1 VAL 15 -2.643 2.264 3.023 115 HG21 VAL 15 3HG2 VAL 15 -0.068 -0.247 2.217 116 HG22 VAL 15 1HG2 VAL 15 -0.449 0.297 3.849 117 HG23 VAL 15 2HG2 VAL 15 -0.367 1.464 2.527 118 H ABA 16 H ABU 16 -4.581 -1.434 4.320 119 HA ABA 16 HA ABU 16 -6.383 -2.381 2.325 120 HB3 ABA 16 1HB ABU 16 -6.948 -1.303 5.103 121 HB2 ABA 16 2HB ABU 16 -6.575 -2.984 4.744 122 HG1 ABA 16 3HG ABU 16 -8.969 -1.489 3.701 123 HG3 ABA 16 1HG ABU 16 -8.968 -2.623 5.052 124 HG2 ABA 16 2HG ABU 16 -8.591 -3.188 3.427 125 H ARG 17 H ARG 17 -6.737 -1.008 0.761 126 HA ARG 17 HA ARG 17 -7.216 1.816 1.321 127 HB2 ARG 17 2HB ARG 17 -6.641 0.384 -1.278 128 HB3 ARG 17 1HB ARG 17 -6.868 2.114 -1.094 129 HG2 ARG 17 2HG ARG 17 -4.640 0.495 0.129 130 HG3 ARG 17 1HG ARG 17 -4.511 1.528 -1.296 131 HD2 ARG 17 2HD ARG 17 -5.221 2.420 1.492 132 HD3 ARG 17 1HD ARG 17 -3.659 2.622 0.725 133 HE ARG 17 HE ARG 17 -5.423 3.790 -1.004 134 HH11 ARG 17 1HH1 ARG 17 -4.888 4.241 2.453 135 HH12 ARG 17 2HH1 ARG 17 -5.062 5.921 2.420 136 HH21 ARG 17 1HH2 ARG 17 -5.715 6.084 -1.077 137 HH22 ARG 17 2HH2 ARG 17 -5.560 7.013 0.336 138 H ARG 18 H ARG 18 -9.271 1.768 1.975 139 HA ARG 18 HA ARG 18 -11.498 1.862 1.856 140 HB2 ARG 18 2HB ARG 18 -10.826 3.143 -0.250 141 HB3 ARG 18 1HB ARG 18 -11.173 1.639 -1.091 142 HG2 ARG 18 2HG ARG 18 -13.495 1.775 -0.524 143 HG3 ARG 18 1HG ARG 18 -13.204 3.174 0.522 144 HD2 ARG 18 2HD ARG 18 -12.795 3.059 -2.466 145 HD3 ARG 18 1HD ARG 18 -14.101 3.897 -1.622 146 HE ARG 18 HE ARG 18 -12.153 5.150 -0.527 147 HH11 ARG 18 1HH1 ARG 18 -12.212 4.117 -3.931 148 HH12 ARG 18 2HH1 ARG 18 -11.164 5.342 -4.451 149 HH21 ARG 18 1HH2 ARG 18 -10.710 6.787 -1.246 150 HH22 ARG 18 2HH2 ARG 18 -10.252 6.887 -2.879 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -11.477 -1.375 2.112 2 HA2 GLY 1 2HA GLY 1 -12.100 -3.302 1.004 3 HA3 GLY 1 1HA GLY 1 -12.896 -2.312 -0.202 4 H VAL 2 H VAL 2 -10.048 -0.853 -0.090 5 HA VAL 2 HA VAL 2 -9.060 -2.441 -2.293 6 HB VAL 2 HB VAL 2 -8.126 0.266 -1.272 7 HG11 VAL 2 1HG1 VAL 2 -7.296 -1.249 -3.759 8 HG12 VAL 2 2HG1 VAL 2 -6.289 -0.962 -2.340 9 HG13 VAL 2 3HG1 VAL 2 -6.806 0.395 -3.340 10 HG21 VAL 2 3HG2 VAL 2 -9.701 -0.484 -3.730 11 HG22 VAL 2 1HG2 VAL 2 -9.154 1.138 -3.314 12 HG23 VAL 2 2HG2 VAL 2 -10.345 0.322 -2.297 13 H ABA 3 H ABU 3 -7.951 -4.081 -1.724 14 HA ABA 3 HA ABU 3 -5.887 -3.822 0.330 15 HB3 ABA 3 1HB ABU 3 -7.291 -6.281 -0.750 16 HB2 ABA 3 2HB ABU 3 -7.557 -5.550 0.830 17 HG1 ABA 3 3HG ABU 3 -6.200 -7.530 1.036 18 HG3 ABA 3 1HG ABU 3 -5.254 -6.105 1.468 19 HG2 ABA 3 2HG ABU 3 -5.021 -6.873 -0.100 20 H ARG 4 H ARG 4 -4.036 -3.380 -0.597 21 HA ARG 4 HA ARG 4 -2.979 -5.070 -2.690 22 HB2 ARG 4 2HB ARG 4 -4.112 -3.325 -4.007 23 HB3 ARG 4 1HB ARG 4 -3.283 -2.083 -3.083 24 HG2 ARG 4 2HG ARG 4 -1.141 -2.807 -3.969 25 HG3 ARG 4 1HG ARG 4 -1.936 -4.112 -4.847 26 HD2 ARG 4 2HD ARG 4 -3.149 -2.529 -6.178 27 HD3 ARG 4 1HD ARG 4 -2.481 -1.178 -5.256 28 HE ARG 4 HE ARG 4 -0.284 -2.427 -6.158 29 HH11 ARG 4 1HH1 ARG 4 -3.215 -1.406 -7.862 30 HH12 ARG 4 2HH1 ARG 4 -2.416 -0.995 -9.304 31 HH21 ARG 4 1HH2 ARG 4 0.833 -1.888 -8.176 32 HH22 ARG 4 2HH2 ARG 4 -0.065 -1.278 -9.481 33 H CYS 5 H CYS 5 -0.781 -5.248 -2.445 34 HA CYS 5 HA CYS 5 0.360 -3.533 -0.415 35 HB2 CYS 5 2HB CYS 5 1.508 -6.056 -1.577 36 HB3 CYS 5 1HB CYS 5 2.149 -5.156 -0.219 37 H VAL 6 H VAL 6 2.146 -2.405 -0.713 38 HA VAL 6 HA VAL 6 3.006 -2.001 -3.499 39 HB VAL 6 HB VAL 6 2.522 0.186 -1.457 40 HG11 VAL 6 1HG1 VAL 6 3.247 0.372 -4.370 41 HG12 VAL 6 2HG1 VAL 6 4.293 0.734 -2.994 42 HG13 VAL 6 3HG1 VAL 6 2.879 1.736 -3.314 43 HG21 VAL 6 3HG2 VAL 6 0.629 0.900 -2.891 44 HG22 VAL 6 1HG2 VAL 6 0.374 -0.689 -2.169 45 HG23 VAL 6 2HG2 VAL 6 0.842 -0.555 -3.859 46 H CYS 7 H CYS 7 5.187 -2.071 -3.643 47 HA CYS 7 HA CYS 7 6.681 -1.681 -1.158 48 HB2 CYS 7 2HB CYS 7 7.614 -2.984 -3.706 49 HB3 CYS 7 1HB CYS 7 8.566 -2.795 -2.250 50 H ARG 8 H ARG 8 8.070 -0.170 -0.942 51 HA ARG 8 HA ARG 8 8.892 1.526 -3.134 52 HB2 ARG 8 2HB ARG 8 6.520 2.214 -2.621 53 HB3 ARG 8 1HB ARG 8 7.065 2.627 -1.008 54 HG2 ARG 8 2HG ARG 8 8.624 4.255 -1.971 55 HG3 ARG 8 1HG ARG 8 7.978 3.881 -3.571 56 HD2 ARG 8 2HD ARG 8 6.417 4.962 -1.243 57 HD3 ARG 8 1HD ARG 8 6.942 5.891 -2.646 58 HE ARG 8 HE ARG 8 5.531 4.168 -3.908 59 HH11 ARG 8 1HH1 ARG 8 4.792 5.422 -0.674 60 HH12 ARG 8 2HH1 ARG 8 3.109 5.300 -0.832 61 HH21 ARG 8 1HH2 ARG 8 3.141 4.046 -4.160 62 HH22 ARG 8 2HH2 ARG 8 2.157 4.500 -2.863 63 H ARG 9 H ARG 9 10.793 2.424 -2.562 64 HA ARG 9 HA ARG 9 12.515 3.267 -1.397 65 HB2 ARG 9 2HB ARG 9 10.663 4.739 -0.521 66 HB3 ARG 9 1HB ARG 9 10.545 3.628 0.827 67 HG2 ARG 9 2HG ARG 9 12.772 4.256 1.580 68 HG3 ARG 9 1HG ARG 9 12.971 5.295 0.171 69 HD2 ARG 9 2HD ARG 9 11.117 6.685 0.896 70 HD3 ARG 9 1HD ARG 9 10.839 5.630 2.277 71 HE ARG 9 HE ARG 9 13.456 6.458 2.457 72 HH11 ARG 9 1HH1 ARG 9 10.322 8.134 2.355 73 HH12 ARG 9 2HH1 ARG 9 10.810 9.350 3.443 74 HH21 ARG 9 1HH2 ARG 9 14.092 8.165 3.906 75 HH22 ARG 9 2HH2 ARG 9 12.977 9.384 4.328 76 H GLY 10 H GLY 10 11.662 0.407 -1.139 77 HA2 GLY 10 2HA GLY 10 13.036 -1.324 -0.371 78 HA3 GLY 10 1HA GLY 10 13.554 -0.259 0.925 79 H VAL 11 H VAL 11 10.319 0.143 0.994 80 HA VAL 11 HA VAL 11 10.037 -2.134 2.803 81 HB VAL 11 HB VAL 11 8.515 -0.794 4.221 82 HG11 VAL 11 1HG1 VAL 11 10.832 -0.930 4.878 83 HG12 VAL 11 2HG1 VAL 11 10.184 0.663 5.273 84 HG13 VAL 11 3HG1 VAL 11 11.225 0.457 3.866 85 HG21 VAL 11 3HG2 VAL 11 8.384 1.650 3.980 86 HG22 VAL 11 1HG2 VAL 11 7.714 0.821 2.574 87 HG23 VAL 11 2HG2 VAL 11 9.317 1.551 2.487 88 H CYS 12 H CYS 12 7.890 -2.983 2.983 89 HA CYS 12 HA CYS 12 6.312 -2.288 0.659 90 HB2 CYS 12 2HB CYS 12 6.654 -5.028 1.910 91 HB3 CYS 12 1HB CYS 12 5.561 -4.655 0.586 92 H ARG 13 H ARG 13 4.431 -1.537 1.106 93 HA ARG 13 HA ARG 13 3.387 -1.816 3.837 94 HB2 ARG 13 2HB ARG 13 4.093 0.438 3.085 95 HB3 ARG 13 1HB ARG 13 2.935 0.346 1.772 96 HG2 ARG 13 2HG ARG 13 2.043 1.715 3.558 97 HG3 ARG 13 1HG ARG 13 1.105 0.225 3.442 98 HD2 ARG 13 2HD ARG 13 1.630 0.848 5.774 99 HD3 ARG 13 1HD ARG 13 2.294 -0.720 5.315 100 HE ARG 13 HE ARG 13 3.979 1.648 5.126 101 HH11 ARG 13 1HH1 ARG 13 3.220 -1.375 6.822 102 HH12 ARG 13 2HH1 ARG 13 4.737 -1.503 7.578 103 HH21 ARG 13 1HH2 ARG 13 6.047 1.501 6.202 104 HH22 ARG 13 2HH2 ARG 13 6.389 0.193 7.237 105 H CYS 14 H CYS 14 1.540 -3.015 3.943 106 HA CYS 14 HA CYS 14 0.127 -3.345 1.467 107 HB2 CYS 14 2HB CYS 14 -0.214 -4.861 4.047 108 HB3 CYS 14 1HB CYS 14 -1.194 -5.049 2.583 109 H VAL 15 H VAL 15 -1.421 -2.229 0.919 110 HA VAL 15 HA VAL 15 -2.647 -0.457 2.841 111 HB VAL 15 HB VAL 15 -2.912 -0.553 -0.184 112 HG11 VAL 15 1HG1 VAL 15 -3.829 1.554 1.773 113 HG12 VAL 15 2HG1 VAL 15 -4.864 0.476 0.838 114 HG13 VAL 15 3HG1 VAL 15 -3.889 1.692 0.015 115 HG21 VAL 15 3HG2 VAL 15 -1.460 1.431 -0.184 116 HG22 VAL 15 1HG2 VAL 15 -0.641 0.028 0.500 117 HG23 VAL 15 2HG2 VAL 15 -1.271 1.284 1.563 118 H ABA 16 H ABU 16 -4.493 -0.963 3.722 119 HA ABA 16 HA ABU 16 -6.445 -2.606 2.259 120 HB3 ABA 16 1HB ABU 16 -7.074 -3.665 4.417 121 HB2 ABA 16 2HB ABU 16 -5.760 -2.808 5.214 122 HG1 ABA 16 3HG ABU 16 -5.461 -4.917 3.102 123 HG3 ABA 16 1HG ABU 16 -5.154 -5.106 4.826 124 HG2 ABA 16 2HG ABU 16 -4.134 -4.036 3.861 125 H ARG 17 H ARG 17 -7.411 -0.588 1.720 126 HA ARG 17 HA ARG 17 -8.806 0.668 3.962 127 HB2 ARG 17 2HB ARG 17 -7.206 2.231 1.920 128 HB3 ARG 17 1HB ARG 17 -8.271 2.942 3.124 129 HG2 ARG 17 2HG ARG 17 -6.862 2.130 4.912 130 HG3 ARG 17 1HG ARG 17 -5.846 1.275 3.757 131 HD2 ARG 17 2HD ARG 17 -4.706 3.276 4.359 132 HD3 ARG 17 1HD ARG 17 -5.327 3.472 2.722 133 HE ARG 17 HE ARG 17 -7.212 4.529 4.451 134 HH11 ARG 17 1HH1 ARG 17 -3.890 5.188 3.446 135 HH12 ARG 17 2HH1 ARG 17 -3.935 6.844 3.800 136 HH21 ARG 17 1HH2 ARG 17 -7.284 6.873 4.907 137 HH22 ARG 17 2HH2 ARG 17 -5.893 7.816 4.617 138 H ARG 18 H ARG 18 -10.831 0.841 3.564 139 HA ARG 18 HA ARG 18 -12.862 0.906 2.594 140 HB2 ARG 18 2HB ARG 18 -11.920 3.177 1.963 141 HB3 ARG 18 1HB ARG 18 -11.524 2.440 0.420 142 HG2 ARG 18 2HG ARG 18 -13.902 2.012 -0.004 143 HG3 ARG 18 1HG ARG 18 -14.301 2.773 1.539 144 HD2 ARG 18 2HD ARG 18 -12.929 4.096 -0.792 145 HD3 ARG 18 1HD ARG 18 -14.617 4.311 -0.346 146 HE ARG 18 HE ARG 18 -13.747 5.233 1.790 147 HH11 ARG 18 1HH1 ARG 18 -11.716 5.366 -1.117 148 HH12 ARG 18 2HH1 ARG 18 -10.892 6.778 -0.642 149 HH21 ARG 18 1HH2 ARG 18 -12.629 7.246 2.398 150 HH22 ARG 18 2HH2 ARG 18 -11.452 7.880 1.351 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -10.528 -0.865 2.145 2 HA2 GLY 1 2HA GLY 1 -11.641 -2.929 2.263 3 HA3 GLY 1 1HA GLY 1 -12.577 -2.445 0.855 4 H VAL 2 H VAL 2 -10.222 -1.563 -0.659 5 HA VAL 2 HA VAL 2 -9.630 -4.156 -1.763 6 HB VAL 2 HB VAL 2 -8.782 -1.399 -2.713 7 HG11 VAL 2 1HG1 VAL 2 -8.628 -4.062 -4.133 8 HG12 VAL 2 2HG1 VAL 2 -7.259 -3.129 -3.537 9 HG13 VAL 2 3HG1 VAL 2 -8.258 -2.491 -4.845 10 HG21 VAL 2 3HG2 VAL 2 -11.197 -1.710 -2.771 11 HG22 VAL 2 1HG2 VAL 2 -10.995 -3.216 -3.662 12 HG23 VAL 2 2HG2 VAL 2 -10.539 -1.686 -4.409 13 H ABA 3 H ABU 3 -8.087 -5.293 -0.896 14 HA ABA 3 HA ABU 3 -5.944 -4.119 0.610 15 HB3 ABA 3 1HB ABU 3 -6.445 -7.002 -0.149 16 HB2 ABA 3 2HB ABU 3 -6.994 -6.221 1.329 17 HG1 ABA 3 3HG ABU 3 -5.010 -7.595 1.712 18 HG3 ABA 3 1HG ABU 3 -4.692 -5.889 2.034 19 HG2 ABA 3 2HG ABU 3 -4.118 -6.625 0.543 20 H ARG 4 H ARG 4 -4.369 -3.163 -0.430 21 HA ARG 4 HA ARG 4 -2.898 -4.709 -2.383 22 HB2 ARG 4 2HB ARG 4 -2.545 -2.651 -3.781 23 HB3 ARG 4 1HB ARG 4 -4.175 -3.298 -3.827 24 HG2 ARG 4 2HG ARG 4 -4.923 -1.562 -2.297 25 HG3 ARG 4 1HG ARG 4 -3.276 -0.929 -2.205 26 HD2 ARG 4 2HD ARG 4 -4.730 0.338 -3.772 27 HD3 ARG 4 1HD ARG 4 -3.307 -0.361 -4.545 28 HE ARG 4 HE ARG 4 -5.241 -2.238 -4.895 29 HH11 ARG 4 1HH1 ARG 4 -5.128 1.202 -5.691 30 HH12 ARG 4 2HH1 ARG 4 -6.001 1.032 -7.139 31 HH21 ARG 4 1HH2 ARG 4 -6.441 -2.469 -6.806 32 HH22 ARG 4 2HH2 ARG 4 -6.795 -1.117 -7.781 33 H CYS 5 H CYS 5 -0.672 -3.887 -2.605 34 HA CYS 5 HA CYS 5 0.047 -2.761 -0.026 35 HB2 CYS 5 2HB CYS 5 1.770 -4.591 -1.694 36 HB3 CYS 5 1HB CYS 5 2.020 -4.112 -0.022 37 H VAL 6 H VAL 6 1.640 -1.329 0.157 38 HA VAL 6 HA VAL 6 2.291 0.116 -2.301 39 HB VAL 6 HB VAL 6 2.368 1.060 0.589 40 HG11 VAL 6 1HG1 VAL 6 3.934 2.254 -0.838 41 HG12 VAL 6 2HG1 VAL 6 2.602 3.304 -0.344 42 HG13 VAL 6 3HG1 VAL 6 2.635 2.626 -1.970 43 HG21 VAL 6 3HG2 VAL 6 0.356 2.378 0.053 44 HG22 VAL 6 1HG2 VAL 6 0.068 0.644 -0.098 45 HG23 VAL 6 2HG2 VAL 6 0.300 1.628 -1.542 46 H CYS 7 H CYS 7 4.287 -0.296 -2.973 47 HA CYS 7 HA CYS 7 6.334 -0.973 -0.980 48 HB2 CYS 7 2HB CYS 7 6.274 -1.685 -3.890 49 HB3 CYS 7 1HB CYS 7 7.567 -2.048 -2.770 50 H ARG 8 H ARG 8 7.917 0.230 -0.795 51 HA ARG 8 HA ARG 8 8.941 1.921 -2.857 52 HB2 ARG 8 2HB ARG 8 8.457 4.095 -1.793 53 HB3 ARG 8 1HB ARG 8 7.021 3.276 -2.377 54 HG2 ARG 8 2HG ARG 8 6.620 2.529 -0.002 55 HG3 ARG 8 1HG ARG 8 7.930 3.617 0.471 56 HD2 ARG 8 2HD ARG 8 5.375 4.363 -0.946 57 HD3 ARG 8 1HD ARG 8 5.819 4.758 0.714 58 HE ARG 8 HE ARG 8 7.633 6.099 -0.215 59 HH11 ARG 8 1HH1 ARG 8 4.990 5.312 -2.447 60 HH12 ARG 8 2HH1 ARG 8 5.072 6.768 -3.311 61 HH21 ARG 8 1HH2 ARG 8 7.812 8.092 -1.478 62 HH22 ARG 8 2HH2 ARG 8 6.762 8.350 -2.789 63 H ARG 9 H ARG 9 10.930 2.677 -2.434 64 HA ARG 9 HA ARG 9 12.981 2.758 -1.527 65 HB2 ARG 9 2HB ARG 9 11.799 4.317 0.046 66 HB3 ARG 9 1HB ARG 9 11.537 2.929 1.093 67 HG2 ARG 9 2HG ARG 9 13.921 2.727 1.477 68 HG3 ARG 9 1HG ARG 9 14.241 4.040 0.346 69 HD2 ARG 9 2HD ARG 9 12.637 4.285 2.885 70 HD3 ARG 9 1HD ARG 9 14.321 4.763 2.711 71 HE ARG 9 HE ARG 9 13.186 6.166 0.769 72 HH11 ARG 9 1HH1 ARG 9 12.131 5.738 4.116 73 HH12 ARG 9 2HH1 ARG 9 11.470 7.299 4.273 74 HH21 ARG 9 1HH2 ARG 9 12.270 8.359 0.989 75 HH22 ARG 9 2HH2 ARG 9 11.566 8.799 2.467 76 H GLY 10 H GLY 10 11.512 0.195 -1.795 77 HA2 GLY 10 2HA GLY 10 12.335 -1.953 -1.723 78 HA3 GLY 10 1HA GLY 10 13.493 -1.423 -0.517 79 H VAL 11 H VAL 11 10.518 -0.329 0.534 80 HA VAL 11 HA VAL 11 10.131 -2.796 2.052 81 HB VAL 11 HB VAL 11 10.969 -0.909 3.479 82 HG11 VAL 11 1HG1 VAL 11 8.413 0.473 2.738 83 HG12 VAL 11 2HG1 VAL 11 10.052 0.999 2.354 84 HG13 VAL 11 3HG1 VAL 11 9.500 0.975 4.029 85 HG21 VAL 11 3HG2 VAL 11 9.622 -2.624 4.540 86 HG22 VAL 11 1HG2 VAL 11 8.145 -1.764 4.103 87 HG23 VAL 11 2HG2 VAL 11 9.274 -1.054 5.256 88 H CYS 12 H CYS 12 7.968 -3.435 2.392 89 HA CYS 12 HA CYS 12 6.109 -1.984 0.703 90 HB2 CYS 12 2HB CYS 12 6.274 -4.976 1.140 91 HB3 CYS 12 1HB CYS 12 4.974 -4.165 0.281 92 H ARG 13 H ARG 13 4.056 -1.736 1.581 93 HA ARG 13 HA ARG 13 3.466 -3.045 4.116 94 HB2 ARG 13 2HB ARG 13 4.262 -0.865 4.752 95 HB3 ARG 13 1HB ARG 13 3.273 -0.095 3.525 96 HG2 ARG 13 2HG ARG 13 1.258 -0.693 4.748 97 HG3 ARG 13 1HG ARG 13 2.228 -1.535 5.957 98 HD2 ARG 13 2HD ARG 13 1.501 0.809 6.568 99 HD3 ARG 13 1HD ARG 13 3.228 0.477 6.702 100 HE ARG 13 HE ARG 13 3.552 1.611 4.618 101 HH11 ARG 13 1HH1 ARG 13 0.414 2.257 6.154 102 HH12 ARG 13 2HH1 ARG 13 0.208 3.752 5.383 103 HH21 ARG 13 1HH2 ARG 13 3.244 3.635 3.564 104 HH22 ARG 13 2HH2 ARG 13 1.843 4.554 3.856 105 H CYS 14 H CYS 14 1.519 -3.957 4.033 106 HA CYS 14 HA CYS 14 -0.104 -3.364 1.747 107 HB2 CYS 14 2HB CYS 14 -0.333 -5.604 3.739 108 HB3 CYS 14 1HB CYS 14 -1.306 -5.400 2.277 109 H VAL 15 H VAL 15 -1.812 -2.241 1.739 110 HA VAL 15 HA VAL 15 -3.102 -1.642 4.308 111 HB VAL 15 HB VAL 15 -2.622 0.406 2.111 112 HG11 VAL 15 1HG1 VAL 15 -3.446 2.052 3.722 113 HG12 VAL 15 2HG1 VAL 15 -3.732 0.768 4.890 114 HG13 VAL 15 3HG1 VAL 15 -4.661 0.812 3.391 115 HG21 VAL 15 3HG2 VAL 15 -0.505 -0.099 3.209 116 HG22 VAL 15 1HG2 VAL 15 -1.245 0.164 4.788 117 HG23 VAL 15 2HG2 VAL 15 -1.060 1.511 3.668 118 H ABA 16 H ABU 16 -5.226 -1.841 4.236 119 HA ABA 16 HA ABU 16 -6.533 -2.708 1.827 120 HB3 ABA 16 1HB ABU 16 -8.515 -2.933 3.273 121 HB2 ABA 16 2HB ABU 16 -7.657 -2.130 4.583 122 HG1 ABA 16 3HG ABU 16 -6.041 -3.961 4.632 123 HG3 ABA 16 1HG ABU 16 -6.946 -4.783 3.362 124 HG2 ABA 16 2HG ABU 16 -7.686 -4.505 4.944 125 H ARG 17 H ARG 17 -6.789 -1.147 0.400 126 HA ARG 17 HA ARG 17 -7.300 1.569 1.244 127 HB2 ARG 17 2HB ARG 17 -7.104 0.490 -1.572 128 HB3 ARG 17 1HB ARG 17 -7.017 2.170 -1.072 129 HG2 ARG 17 2HG ARG 17 -4.974 0.016 -0.543 130 HG3 ARG 17 1HG ARG 17 -4.826 1.362 -1.665 131 HD2 ARG 17 2HD ARG 17 -4.944 1.482 1.342 132 HD3 ARG 17 1HD ARG 17 -3.549 1.823 0.321 133 HE ARG 17 HE ARG 17 -5.997 3.431 0.283 134 HH11 ARG 17 1HH1 ARG 17 -2.476 3.274 0.286 135 HH12 ARG 17 2HH1 ARG 17 -2.257 4.951 0.467 136 HH21 ARG 17 1HH2 ARG 17 -5.732 5.712 0.516 137 HH22 ARG 17 2HH2 ARG 17 -4.173 6.384 0.582 138 H ARG 18 H ARG 18 -9.359 1.585 2.019 139 HA ARG 18 HA ARG 18 -11.638 1.628 2.048 140 HB2 ARG 18 2HB ARG 18 -11.147 3.259 0.207 141 HB3 ARG 18 1HB ARG 18 -11.267 1.911 -0.901 142 HG2 ARG 18 2HG ARG 18 -13.648 1.660 -0.330 143 HG3 ARG 18 1HG ARG 18 -13.523 3.066 0.736 144 HD2 ARG 18 2HD ARG 18 -12.910 4.471 -1.130 145 HD3 ARG 18 1HD ARG 18 -12.884 3.082 -2.208 146 HE ARG 18 HE ARG 18 -15.397 3.662 -0.873 147 HH11 ARG 18 1HH1 ARG 18 -13.458 3.900 -3.827 148 HH12 ARG 18 2HH1 ARG 18 -14.762 4.263 -4.841 149 HH21 ARG 18 1HH2 ARG 18 -17.194 4.175 -2.255 150 HH22 ARG 18 2HH2 ARG 18 -16.960 4.422 -3.929 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -10.319 -0.192 1.903 2 HA2 GLY 1 2HA GLY 1 -11.375 -2.131 2.533 3 HA3 GLY 1 1HA GLY 1 -12.535 -1.870 1.243 4 H VAL 2 H VAL 2 -9.563 -1.683 -0.204 5 HA VAL 2 HA VAL 2 -9.671 -4.533 -0.902 6 HB VAL 2 HB VAL 2 -8.554 -2.260 -2.567 7 HG11 VAL 2 1HG1 VAL 2 -7.633 -4.451 -3.090 8 HG12 VAL 2 2HG1 VAL 2 -8.639 -3.848 -4.406 9 HG13 VAL 2 3HG1 VAL 2 -9.264 -5.083 -3.308 10 HG21 VAL 2 3HG2 VAL 2 -10.948 -1.922 -2.294 11 HG22 VAL 2 1HG2 VAL 2 -11.258 -3.584 -2.798 12 HG23 VAL 2 2HG2 VAL 2 -10.580 -2.428 -3.944 13 H ABA 3 H ABU 3 -7.768 -5.716 -0.691 14 HA ABA 3 HA ABU 3 -5.709 -4.405 0.839 15 HB3 ABA 3 1HB ABU 3 -5.934 -7.309 -0.007 16 HB2 ABA 3 2HB ABU 3 -6.561 -6.651 1.497 17 HG1 ABA 3 3HG ABU 3 -4.284 -6.077 2.198 18 HG3 ABA 3 1HG ABU 3 -3.661 -6.763 0.699 19 HG2 ABA 3 2HG ABU 3 -4.461 -7.803 1.876 20 H ARG 4 H ARG 4 -5.067 -3.037 -0.847 21 HA ARG 4 HA ARG 4 -3.372 -4.272 -2.913 22 HB2 ARG 4 2HB ARG 4 -4.372 -1.428 -2.647 23 HB3 ARG 4 1HB ARG 4 -3.359 -2.023 -3.948 24 HG2 ARG 4 2HG ARG 4 -6.182 -2.897 -3.368 25 HG3 ARG 4 1HG ARG 4 -5.681 -1.759 -4.615 26 HD2 ARG 4 2HD ARG 4 -4.303 -3.578 -5.621 27 HD3 ARG 4 1HD ARG 4 -4.989 -4.688 -4.436 28 HE ARG 4 HE ARG 4 -6.975 -3.284 -5.919 29 HH11 ARG 4 1HH1 ARG 4 -4.813 -6.091 -6.073 30 HH12 ARG 4 2HH1 ARG 4 -5.763 -6.971 -7.172 31 HH21 ARG 4 1HH2 ARG 4 -8.284 -4.519 -7.481 32 HH22 ARG 4 2HH2 ARG 4 -7.774 -6.054 -7.990 33 H CYS 5 H CYS 5 -1.244 -4.304 -2.437 34 HA CYS 5 HA CYS 5 -0.401 -2.775 -0.107 35 HB2 CYS 5 2HB CYS 5 1.128 -4.904 -1.583 36 HB3 CYS 5 1HB CYS 5 1.436 -4.293 0.029 37 H VAL 6 H VAL 6 1.373 -1.446 -0.131 38 HA VAL 6 HA VAL 6 2.129 -0.478 -2.788 39 HB VAL 6 HB VAL 6 2.065 0.997 -0.137 40 HG11 VAL 6 1HG1 VAL 6 3.870 1.822 -1.538 41 HG12 VAL 6 2HG1 VAL 6 2.578 3.016 -1.440 42 HG13 VAL 6 3HG1 VAL 6 2.756 2.029 -2.887 43 HG21 VAL 6 3HG2 VAL 6 0.261 2.328 -1.152 44 HG22 VAL 6 1HG2 VAL 6 -0.172 0.626 -0.993 45 HG23 VAL 6 2HG2 VAL 6 0.293 1.271 -2.563 46 H CYS 7 H CYS 7 4.240 -0.785 -3.280 47 HA CYS 7 HA CYS 7 6.048 -1.199 -1.024 48 HB2 CYS 7 2HB CYS 7 6.553 -1.845 -3.920 49 HB3 CYS 7 1HB CYS 7 7.614 -2.204 -2.573 50 H ARG 8 H ARG 8 7.557 0.111 -0.610 51 HA ARG 8 HA ARG 8 8.381 2.187 -2.406 52 HB2 ARG 8 2HB ARG 8 6.129 2.969 -1.642 53 HB3 ARG 8 1HB ARG 8 6.707 2.919 0.010 54 HG2 ARG 8 2HG ARG 8 6.683 5.190 -0.863 55 HG3 ARG 8 1HG ARG 8 8.326 4.674 -0.486 56 HD2 ARG 8 2HD ARG 8 8.166 5.899 -2.625 57 HD3 ARG 8 1HD ARG 8 8.780 4.264 -2.829 58 HE ARG 8 HE ARG 8 6.080 4.061 -3.244 59 HH11 ARG 8 1HH1 ARG 8 8.620 6.063 -4.694 60 HH12 ARG 8 2HH1 ARG 8 7.917 6.037 -6.240 61 HH21 ARG 8 1HH2 ARG 8 5.137 4.053 -5.371 62 HH22 ARG 8 2HH2 ARG 8 5.899 4.920 -6.633 63 H ARG 9 H ARG 9 10.283 3.104 -1.671 64 HA ARG 9 HA ARG 9 12.135 3.488 -0.436 65 HB2 ARG 9 2HB ARG 9 10.314 4.138 1.298 66 HB3 ARG 9 1HB ARG 9 10.676 2.563 1.994 67 HG2 ARG 9 2HG ARG 9 11.895 4.212 3.214 68 HG3 ARG 9 1HG ARG 9 13.034 3.279 2.244 69 HD2 ARG 9 2HD ARG 9 13.068 5.036 0.559 70 HD3 ARG 9 1HD ARG 9 11.900 5.969 1.494 71 HE ARG 9 HE ARG 9 14.603 5.285 2.383 72 HH11 ARG 9 1HH1 ARG 9 11.889 7.596 2.233 73 HH12 ARG 9 2HH1 ARG 9 12.707 8.796 3.108 74 HH21 ARG 9 1HH2 ARG 9 15.678 6.967 3.586 75 HH22 ARG 9 2HH2 ARG 9 14.885 8.454 3.897 76 H GLY 10 H GLY 10 11.319 0.824 -1.497 77 HA2 GLY 10 2HA GLY 10 12.469 -1.146 -1.749 78 HA3 GLY 10 1HA GLY 10 13.503 -0.647 -0.418 79 H VAL 11 H VAL 11 10.270 -0.347 0.467 80 HA VAL 11 HA VAL 11 10.289 -2.978 1.769 81 HB VAL 11 HB VAL 11 9.327 -0.370 3.003 82 HG11 VAL 11 1HG1 VAL 11 9.140 -1.644 5.093 83 HG12 VAL 11 2HG1 VAL 11 9.593 -3.109 4.231 84 HG13 VAL 11 3HG1 VAL 11 8.086 -2.283 3.830 85 HG21 VAL 11 3HG2 VAL 11 11.822 -1.946 3.640 86 HG22 VAL 11 1HG2 VAL 11 11.235 -0.547 4.543 87 HG23 VAL 11 2HG2 VAL 11 11.762 -0.365 2.869 88 H CYS 12 H CYS 12 8.247 -3.979 1.835 89 HA CYS 12 HA CYS 12 6.188 -2.559 0.365 90 HB2 CYS 12 2HB CYS 12 6.523 -5.522 0.840 91 HB3 CYS 12 1HB CYS 12 5.112 -4.806 0.072 92 H ARG 13 H ARG 13 4.263 -2.132 1.191 93 HA ARG 13 HA ARG 13 3.672 -3.122 3.853 94 HB2 ARG 13 2HB ARG 13 4.715 -1.007 4.204 95 HB3 ARG 13 1HB ARG 13 3.739 -0.244 2.961 96 HG2 ARG 13 2HG ARG 13 1.780 -0.367 4.278 97 HG3 ARG 13 1HG ARG 13 2.555 -1.411 5.470 98 HD2 ARG 13 2HD ARG 13 2.361 0.903 6.272 99 HD3 ARG 13 1HD ARG 13 4.042 0.410 6.115 100 HE ARG 13 HE ARG 13 3.556 1.650 3.770 101 HH11 ARG 13 1HH1 ARG 13 2.916 2.623 7.109 102 HH12 ARG 13 2HH1 ARG 13 3.189 4.278 6.827 103 HH21 ARG 13 1HH2 ARG 13 3.943 3.876 3.379 104 HH22 ARG 13 2HH2 ARG 13 3.780 5.031 4.638 105 H CYS 14 H CYS 14 1.741 -3.991 3.875 106 HA CYS 14 HA CYS 14 -0.098 -3.428 1.748 107 HB2 CYS 14 2HB CYS 14 -0.169 -5.442 3.979 108 HB3 CYS 14 1HB CYS 14 -1.449 -5.249 2.781 109 H VAL 15 H VAL 15 -1.742 -2.180 1.844 110 HA VAL 15 HA VAL 15 -2.745 -1.308 4.447 111 HB VAL 15 HB VAL 15 -2.478 0.386 1.927 112 HG11 VAL 15 1HG1 VAL 15 -4.385 1.038 3.268 113 HG12 VAL 15 2HG1 VAL 15 -3.127 2.274 3.361 114 HG13 VAL 15 3HG1 VAL 15 -3.360 1.146 4.697 115 HG21 VAL 15 3HG2 VAL 15 -0.862 0.556 4.473 116 HG22 VAL 15 1HG2 VAL 15 -0.777 1.696 3.130 117 HG23 VAL 15 2HG2 VAL 15 -0.273 0.021 2.900 118 H ABA 16 H ABU 16 -4.986 -1.383 4.517 119 HA ABA 16 HA ABU 16 -6.308 -2.638 2.294 120 HB3 ABA 16 1HB ABU 16 -7.482 -1.623 4.908 121 HB2 ABA 16 2HB ABU 16 -6.810 -3.235 4.699 122 HG1 ABA 16 3HG ABU 16 -9.189 -2.119 3.232 123 HG3 ABA 16 1HG ABU 16 -9.230 -3.273 4.565 124 HG2 ABA 16 2HG ABU 16 -8.512 -3.732 3.025 125 H ARG 17 H ARG 17 -6.215 -1.169 0.731 126 HA ARG 17 HA ARG 17 -6.957 1.570 1.243 127 HB2 ARG 17 2HB ARG 17 -5.814 0.282 -1.247 128 HB3 ARG 17 1HB ARG 17 -6.114 2.004 -1.046 129 HG2 ARG 17 2HG ARG 17 -4.577 1.967 0.929 130 HG3 ARG 17 1HG ARG 17 -4.182 0.308 0.505 131 HD2 ARG 17 2HD ARG 17 -3.778 2.679 -1.301 132 HD3 ARG 17 1HD ARG 17 -2.541 1.999 -0.255 133 HE ARG 17 HE ARG 17 -2.869 -0.098 -1.581 134 HH11 ARG 17 1HH1 ARG 17 -3.663 3.037 -3.028 135 HH12 ARG 17 2HH1 ARG 17 -3.067 2.673 -4.572 136 HH21 ARG 17 1HH2 ARG 17 -1.918 -0.587 -3.821 137 HH22 ARG 17 2HH2 ARG 17 -2.036 0.607 -4.994 138 H ARG 18 H ARG 18 -8.935 2.035 1.233 139 HA ARG 18 HA ARG 18 -11.123 2.173 0.813 140 HB2 ARG 18 2HB ARG 18 -10.142 3.018 -1.356 141 HB3 ARG 18 1HB ARG 18 -10.392 1.390 -1.965 142 HG2 ARG 18 2HG ARG 18 -12.782 1.615 -1.733 143 HG3 ARG 18 1HG ARG 18 -12.587 3.204 -0.989 144 HD2 ARG 18 2HD ARG 18 -11.757 2.442 -3.779 145 HD3 ARG 18 1HD ARG 18 -13.189 3.383 -3.363 146 HE ARG 18 HE ARG 18 -11.562 5.026 -2.395 147 HH11 ARG 18 1HH1 ARG 18 -10.637 2.924 -5.104 148 HH12 ARG 18 2HH1 ARG 18 -9.460 3.976 -5.702 149 HH21 ARG 18 1HH2 ARG 18 -9.963 6.461 -3.217 150 HH22 ARG 18 2HH2 ARG 18 -9.058 6.059 -4.614 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -10.641 -0.071 2.057 2 HA2 GLY 1 2HA GLY 1 -11.391 -2.189 2.681 3 HA3 GLY 1 1HA GLY 1 -12.623 -2.056 1.431 4 H VAL 2 H VAL 2 -9.940 -1.302 -0.175 5 HA VAL 2 HA VAL 2 -9.732 -3.973 -1.272 6 HB VAL 2 HB VAL 2 -8.569 -1.360 -2.282 7 HG11 VAL 2 1HG1 VAL 2 -7.394 -3.285 -3.146 8 HG12 VAL 2 2HG1 VAL 2 -8.354 -2.538 -4.421 9 HG13 VAL 2 3HG1 VAL 2 -8.912 -4.021 -3.649 10 HG21 VAL 2 3HG2 VAL 2 -10.410 -1.324 -3.900 11 HG22 VAL 2 1HG2 VAL 2 -11.013 -1.229 -2.245 12 HG23 VAL 2 2HG2 VAL 2 -11.115 -2.747 -3.145 13 H ABA 3 H ABU 3 -8.145 -5.210 -0.622 14 HA ABA 3 HA ABU 3 -5.885 -4.116 0.806 15 HB3 ABA 3 1HB ABU 3 -6.456 -6.981 -0.020 16 HB2 ABA 3 2HB ABU 3 -6.905 -6.254 1.519 17 HG1 ABA 3 3HG ABU 3 -4.088 -6.629 0.527 18 HG3 ABA 3 1HG ABU 3 -4.909 -7.642 1.714 19 HG2 ABA 3 2HG ABU 3 -4.572 -5.951 2.087 20 H ARG 4 H ARG 4 -4.392 -3.163 -0.331 21 HA ARG 4 HA ARG 4 -3.389 -4.487 -2.747 22 HB2 ARG 4 2HB ARG 4 -4.666 -2.528 -3.422 23 HB3 ARG 4 1HB ARG 4 -3.822 -1.534 -2.244 24 HG2 ARG 4 2HG ARG 4 -2.981 -1.079 -4.458 25 HG3 ARG 4 1HG ARG 4 -1.733 -1.861 -3.493 26 HD2 ARG 4 2HD ARG 4 -2.324 -4.020 -4.580 27 HD3 ARG 4 1HD ARG 4 -3.471 -3.144 -5.592 28 HE ARG 4 HE ARG 4 -0.813 -2.100 -5.618 29 HH11 ARG 4 1HH1 ARG 4 -2.963 -4.460 -7.155 30 HH12 ARG 4 2HH1 ARG 4 -2.142 -4.464 -8.632 31 HH21 ARG 4 1HH2 ARG 4 0.312 -2.101 -7.632 32 HH22 ARG 4 2HH2 ARG 4 -0.202 -3.083 -8.926 33 H CYS 5 H CYS 5 -1.192 -4.783 -2.701 34 HA CYS 5 HA CYS 5 0.149 -3.495 -0.496 35 HB2 CYS 5 2HB CYS 5 1.126 -5.808 -2.160 36 HB3 CYS 5 1HB CYS 5 1.892 -5.185 -0.709 37 H VAL 6 H VAL 6 1.988 -2.399 -0.770 38 HA VAL 6 HA VAL 6 2.857 -1.798 -3.476 39 HB VAL 6 HB VAL 6 1.022 -0.206 -2.927 40 HG11 VAL 6 1HG1 VAL 6 1.218 -0.051 -0.548 41 HG12 VAL 6 2HG1 VAL 6 1.355 1.562 -1.253 42 HG13 VAL 6 3HG1 VAL 6 2.796 0.720 -0.691 43 HG21 VAL 6 3HG2 VAL 6 3.736 1.098 -3.137 44 HG22 VAL 6 1HG2 VAL 6 2.197 1.871 -3.512 45 HG23 VAL 6 2HG2 VAL 6 2.756 0.509 -4.481 46 H CYS 7 H CYS 7 5.005 -0.916 -3.490 47 HA CYS 7 HA CYS 7 6.298 -1.080 -0.885 48 HB2 CYS 7 2HB CYS 7 7.514 -1.723 -3.562 49 HB3 CYS 7 1HB CYS 7 8.329 -1.840 -2.012 50 H ARG 8 H ARG 8 7.576 0.427 -0.277 51 HA ARG 8 HA ARG 8 8.082 2.737 -2.022 52 HB2 ARG 8 2HB ARG 8 6.122 3.267 -0.649 53 HB3 ARG 8 1HB ARG 8 6.990 2.782 0.798 54 HG2 ARG 8 2HG ARG 8 8.593 4.649 0.396 55 HG3 ARG 8 1HG ARG 8 7.575 5.161 -0.956 56 HD2 ARG 8 2HD ARG 8 5.692 5.458 0.549 57 HD3 ARG 8 1HD ARG 8 6.679 4.909 1.905 58 HE ARG 8 HE ARG 8 8.063 7.013 0.898 59 HH11 ARG 8 1HH1 ARG 8 4.761 6.578 2.107 60 HH12 ARG 8 2HH1 ARG 8 4.596 8.207 2.583 61 HH21 ARG 8 1HH2 ARG 8 7.811 9.271 1.637 62 HH22 ARG 8 2HH2 ARG 8 6.319 9.731 2.316 63 H ARG 9 H ARG 9 10.234 2.873 -2.082 64 HA ARG 9 HA ARG 9 12.395 3.229 -1.404 65 HB2 ARG 9 2HB ARG 9 11.199 4.612 0.367 66 HB3 ARG 9 1HB ARG 9 11.338 3.195 1.390 67 HG2 ARG 9 2HG ARG 9 13.820 3.380 1.184 68 HG3 ARG 9 1HG ARG 9 13.564 4.904 0.325 69 HD2 ARG 9 2HD ARG 9 13.990 5.380 2.646 70 HD3 ARG 9 1HD ARG 9 12.297 5.737 2.289 71 HE ARG 9 HE ARG 9 13.249 3.291 3.605 72 HH11 ARG 9 1HH1 ARG 9 10.673 5.719 3.194 73 HH12 ARG 9 2HH1 ARG 9 9.765 5.184 4.522 74 HH21 ARG 9 1HH2 ARG 9 11.990 2.559 5.435 75 HH22 ARG 9 2HH2 ARG 9 10.526 3.325 5.808 76 H GLY 10 H GLY 10 11.047 0.514 -1.423 77 HA2 GLY 10 2HA GLY 10 11.993 -1.595 -1.354 78 HA3 GLY 10 1HA GLY 10 13.263 -0.944 -0.321 79 H VAL 11 H VAL 11 10.274 0.051 0.769 80 HA VAL 11 HA VAL 11 10.098 -2.146 2.698 81 HB VAL 11 HB VAL 11 9.037 0.693 2.932 82 HG11 VAL 11 1HG1 VAL 11 7.715 -0.894 4.211 83 HG12 VAL 11 2HG1 VAL 11 8.646 0.141 5.295 84 HG13 VAL 11 3HG1 VAL 11 9.172 -1.513 4.989 85 HG21 VAL 11 3HG2 VAL 11 11.438 -0.530 4.283 86 HG22 VAL 11 1HG2 VAL 11 10.794 1.082 4.575 87 HG23 VAL 11 2HG2 VAL 11 11.476 0.678 2.997 88 H CYS 12 H CYS 12 8.300 -3.357 2.486 89 HA CYS 12 HA CYS 12 6.348 -2.337 0.614 90 HB2 CYS 12 2HB CYS 12 7.003 -5.197 1.321 91 HB3 CYS 12 1HB CYS 12 5.719 -4.707 0.214 92 H ARG 13 H ARG 13 4.351 -2.056 1.165 93 HA ARG 13 HA ARG 13 3.503 -2.883 3.841 94 HB2 ARG 13 2HB ARG 13 4.128 -0.606 4.040 95 HB3 ARG 13 1HB ARG 13 3.359 -0.180 2.529 96 HG2 ARG 13 2HG ARG 13 2.072 0.698 4.418 97 HG3 ARG 13 1HG ARG 13 1.135 -0.507 3.546 98 HD2 ARG 13 2HD ARG 13 1.648 -2.162 5.264 99 HD3 ARG 13 1HD ARG 13 2.644 -0.985 6.122 100 HE ARG 13 HE ARG 13 0.329 0.313 6.041 101 HH11 ARG 13 1HH1 ARG 13 0.808 -3.114 6.792 102 HH12 ARG 13 2HH1 ARG 13 -0.426 -3.174 7.945 103 HH21 ARG 13 1HH2 ARG 13 -1.409 0.209 7.597 104 HH22 ARG 13 2HH2 ARG 13 -1.705 -1.244 8.428 105 H CYS 14 H CYS 14 1.683 -3.993 3.737 106 HA CYS 14 HA CYS 14 0.097 -3.724 1.380 107 HB2 CYS 14 2HB CYS 14 -0.123 -5.653 3.685 108 HB3 CYS 14 1HB CYS 14 -1.242 -5.574 2.315 109 H VAL 15 H VAL 15 -1.575 -2.531 1.256 110 HA VAL 15 HA VAL 15 -2.598 -1.490 3.778 111 HB VAL 15 HB VAL 15 -1.217 0.240 2.832 112 HG11 VAL 15 1HG1 VAL 15 -1.619 1.250 0.636 113 HG12 VAL 15 2HG1 VAL 15 -2.837 0.023 0.298 114 HG13 VAL 15 3HG1 VAL 15 -1.148 -0.444 0.506 115 HG21 VAL 15 3HG2 VAL 15 -4.126 0.857 2.400 116 HG22 VAL 15 1HG2 VAL 15 -2.845 2.064 2.551 117 HG23 VAL 15 2HG2 VAL 15 -3.216 1.004 3.907 118 H ABA 16 H ABU 16 -4.630 -1.853 4.100 119 HA ABA 16 HA ABU 16 -6.313 -2.397 1.821 120 HB3 ABA 16 1HB ABU 16 -6.652 -4.016 3.583 121 HB2 ABA 16 2HB ABU 16 -8.081 -3.003 3.533 122 HG1 ABA 16 3HG ABU 16 -7.504 -3.466 5.804 123 HG3 ABA 16 1HG ABU 16 -7.267 -1.752 5.477 124 HG2 ABA 16 2HG ABU 16 -5.878 -2.845 5.563 125 H ARG 17 H ARG 17 -6.816 -0.713 0.832 126 HA ARG 17 HA ARG 17 -7.810 1.607 2.327 127 HB2 ARG 17 2HB ARG 17 -6.889 3.025 0.519 128 HB3 ARG 17 1HB ARG 17 -5.631 2.114 1.334 129 HG2 ARG 17 2HG ARG 17 -5.795 0.459 -0.598 130 HG3 ARG 17 1HG ARG 17 -6.770 1.679 -1.416 131 HD2 ARG 17 2HD ARG 17 -3.925 1.964 -0.446 132 HD3 ARG 17 1HD ARG 17 -4.465 1.894 -2.118 133 HE ARG 17 HE ARG 17 -5.765 4.028 -0.965 134 HH11 ARG 17 1HH1 ARG 17 -2.439 3.128 -1.802 135 HH12 ARG 17 2HH1 ARG 17 -1.818 4.696 -1.789 136 HH21 ARG 17 1HH2 ARG 17 -4.937 6.228 -0.942 137 HH22 ARG 17 2HH2 ARG 17 -3.306 6.530 -1.283 138 H ARG 18 H ARG 18 -9.799 2.242 1.819 139 HA ARG 18 HA ARG 18 -11.890 2.242 0.918 140 HB2 ARG 18 2HB ARG 18 -10.568 3.025 -1.109 141 HB3 ARG 18 1HB ARG 18 -10.530 1.339 -1.580 142 HG2 ARG 18 2HG ARG 18 -12.987 1.370 -1.810 143 HG3 ARG 18 1HG ARG 18 -12.981 3.089 -1.403 144 HD2 ARG 18 2HD ARG 18 -11.627 1.780 -3.763 145 HD3 ARG 18 1HD ARG 18 -13.040 2.835 -3.807 146 HE ARG 18 HE ARG 18 -11.450 4.529 -2.778 147 HH11 ARG 18 1HH1 ARG 18 -10.468 2.105 -5.220 148 HH12 ARG 18 2HH1 ARG 18 -9.165 3.012 -5.800 149 HH21 ARG 18 1HH2 ARG 18 -9.587 5.772 -3.621 150 HH22 ARG 18 2HH2 ARG 18 -8.653 5.130 -4.886 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -10.658 -0.221 1.606 2 HA2 GLY 1 2HA GLY 1 -11.730 -2.221 2.146 3 HA3 GLY 1 1HA GLY 1 -12.749 -2.002 0.731 4 H VAL 2 H VAL 2 -9.663 -1.559 -0.318 5 HA VAL 2 HA VAL 2 -9.422 -4.380 -1.089 6 HB VAL 2 HB VAL 2 -8.381 -1.914 -2.527 7 HG11 VAL 2 1HG1 VAL 2 -6.878 -3.820 -2.827 8 HG12 VAL 2 2HG1 VAL 2 -7.728 -3.443 -4.328 9 HG13 VAL 2 3HG1 VAL 2 -8.238 -4.816 -3.344 10 HG21 VAL 2 3HG2 VAL 2 -10.790 -2.172 -2.734 11 HG22 VAL 2 1HG2 VAL 2 -10.577 -3.840 -3.265 12 HG23 VAL 2 2HG2 VAL 2 -9.994 -2.511 -4.270 13 H ABA 3 H ABU 3 -7.835 -5.430 -0.109 14 HA ABA 3 HA ABU 3 -5.705 -4.045 1.260 15 HB3 ABA 3 1HB ABU 3 -6.103 -7.016 0.801 16 HB2 ABA 3 2HB ABU 3 -6.752 -6.132 2.177 17 HG1 ABA 3 3HG ABU 3 -3.831 -6.488 1.536 18 HG3 ABA 3 1HG ABU 3 -4.736 -7.343 2.785 19 HG2 ABA 3 2HG ABU 3 -4.486 -5.603 2.916 20 H ARG 4 H ARG 4 -4.537 -3.019 -0.241 21 HA ARG 4 HA ARG 4 -3.288 -4.660 -2.323 22 HB2 ARG 4 2HB ARG 4 -4.718 -2.850 -3.199 23 HB3 ARG 4 1HB ARG 4 -3.807 -1.676 -2.263 24 HG2 ARG 4 2HG ARG 4 -1.804 -2.190 -3.569 25 HG3 ARG 4 1HG ARG 4 -2.718 -3.371 -4.500 26 HD2 ARG 4 2HD ARG 4 -4.192 -1.610 -5.310 27 HD3 ARG 4 1HD ARG 4 -3.307 -0.417 -4.352 28 HE ARG 4 HE ARG 4 -1.405 -1.619 -5.883 29 HH11 ARG 4 1HH1 ARG 4 -4.402 0.130 -6.633 30 HH12 ARG 4 2HH1 ARG 4 -3.851 0.747 -8.096 31 HH21 ARG 4 1HH2 ARG 4 -0.668 -0.868 -7.905 32 HH22 ARG 4 2HH2 ARG 4 -1.636 0.151 -8.880 33 H CYS 5 H CYS 5 -1.044 -4.524 -2.489 34 HA CYS 5 HA CYS 5 0.122 -3.212 -0.198 35 HB2 CYS 5 2HB CYS 5 1.432 -5.262 -1.986 36 HB3 CYS 5 1HB CYS 5 2.066 -4.644 -0.469 37 H VAL 6 H VAL 6 1.785 -1.861 -0.402 38 HA VAL 6 HA VAL 6 2.400 -0.889 -3.096 39 HB VAL 6 HB VAL 6 0.748 0.634 -2.112 40 HG11 VAL 6 1HG1 VAL 6 1.168 1.888 -0.058 41 HG12 VAL 6 2HG1 VAL 6 2.658 0.972 0.192 42 HG13 VAL 6 3HG1 VAL 6 1.101 0.151 0.239 43 HG21 VAL 6 3HG2 VAL 6 3.501 1.868 -2.070 44 HG22 VAL 6 1HG2 VAL 6 1.986 2.749 -2.237 45 HG23 VAL 6 2HG2 VAL 6 2.500 1.632 -3.504 46 H CYS 7 H CYS 7 4.541 -0.413 -3.403 47 HA CYS 7 HA CYS 7 6.232 -0.914 -1.081 48 HB2 CYS 7 2HB CYS 7 6.982 -1.099 -3.991 49 HB3 CYS 7 1HB CYS 7 8.004 -1.518 -2.625 50 H ARG 8 H ARG 8 7.657 0.387 -0.417 51 HA ARG 8 HA ARG 8 8.177 2.898 -1.777 52 HB2 ARG 8 2HB ARG 8 6.121 3.238 -0.433 53 HB3 ARG 8 1HB ARG 8 6.971 2.690 0.999 54 HG2 ARG 8 2HG ARG 8 6.697 5.133 0.887 55 HG3 ARG 8 1HG ARG 8 8.388 4.636 0.942 56 HD2 ARG 8 2HD ARG 8 7.937 6.451 -0.682 57 HD3 ARG 8 1HD ARG 8 8.642 5.008 -1.398 58 HE ARG 8 HE ARG 8 5.751 5.175 -1.525 59 HH11 ARG 8 1HH1 ARG 8 8.816 5.862 -3.155 60 HH12 ARG 8 2HH1 ARG 8 8.158 5.905 -4.714 61 HH21 ARG 8 1HH2 ARG 8 4.816 5.227 -3.651 62 HH22 ARG 8 2HH2 ARG 8 5.789 5.556 -5.013 63 H ARG 9 H ARG 9 10.313 3.073 -1.701 64 HA ARG 9 HA ARG 9 12.478 2.983 -1.120 65 HB2 ARG 9 2HB ARG 9 11.559 4.347 0.849 66 HB3 ARG 9 1HB ARG 9 11.607 2.829 1.740 67 HG2 ARG 9 2HG ARG 9 14.025 2.690 1.380 68 HG3 ARG 9 1HG ARG 9 13.980 4.218 0.510 69 HD2 ARG 9 2HD ARG 9 13.100 5.288 2.581 70 HD3 ARG 9 1HD ARG 9 13.338 3.758 3.422 71 HE ARG 9 HE ARG 9 15.715 4.378 2.172 72 HH11 ARG 9 1HH1 ARG 9 13.794 5.618 4.899 73 HH12 ARG 9 2HH1 ARG 9 15.085 6.420 5.626 74 HH21 ARG 9 1HH2 ARG 9 17.509 5.544 3.182 75 HH22 ARG 9 2HH2 ARG 9 17.230 6.413 4.611 76 H GLY 10 H GLY 10 11.177 0.589 -1.720 77 HA2 GLY 10 2HA GLY 10 11.833 -1.602 -1.911 78 HA3 GLY 10 1HA GLY 10 13.123 -1.261 -0.778 79 H VAL 11 H VAL 11 10.335 -0.230 0.646 80 HA VAL 11 HA VAL 11 10.007 -2.760 2.083 81 HB VAL 11 HB VAL 11 9.182 0.059 2.872 82 HG11 VAL 11 1HG1 VAL 11 7.705 -1.616 3.834 83 HG12 VAL 11 2HG1 VAL 11 8.717 -0.889 5.084 84 HG13 VAL 11 3HG1 VAL 11 9.096 -2.496 4.464 85 HG21 VAL 11 3HG2 VAL 11 11.609 -0.191 2.915 86 HG22 VAL 11 1HG2 VAL 11 11.458 -1.633 3.916 87 HG23 VAL 11 2HG2 VAL 11 10.971 -0.066 4.555 88 H CYS 12 H CYS 12 8.050 -3.777 1.852 89 HA CYS 12 HA CYS 12 6.130 -2.270 0.299 90 HB2 CYS 12 2HB CYS 12 6.523 -5.271 0.371 91 HB3 CYS 12 1HB CYS 12 5.271 -4.433 -0.542 92 H ARG 13 H ARG 13 4.441 -1.722 1.184 93 HA ARG 13 HA ARG 13 3.788 -2.752 3.832 94 HB2 ARG 13 2HB ARG 13 4.478 -0.448 3.648 95 HB3 ARG 13 1HB ARG 13 3.255 -0.132 2.441 96 HG2 ARG 13 2HG ARG 13 2.493 0.763 4.551 97 HG3 ARG 13 1HG ARG 13 1.501 -0.641 4.153 98 HD2 ARG 13 2HD ARG 13 2.149 -0.641 6.508 99 HD3 ARG 13 1HD ARG 13 2.840 -2.014 5.650 100 HE ARG 13 HE ARG 13 4.526 0.293 5.774 101 HH11 ARG 13 1HH1 ARG 13 3.733 -2.835 7.292 102 HH12 ARG 13 2HH1 ARG 13 5.099 -2.833 8.310 103 HH21 ARG 13 1HH2 ARG 13 6.451 0.225 7.126 104 HH22 ARG 13 2HH2 ARG 13 6.680 -1.077 8.193 105 H CYS 14 H CYS 14 1.873 -3.819 3.979 106 HA CYS 14 HA CYS 14 0.156 -3.590 1.681 107 HB2 CYS 14 2HB CYS 14 0.169 -5.703 3.831 108 HB3 CYS 14 1HB CYS 14 -0.960 -5.613 2.467 109 H VAL 15 H VAL 15 -1.594 -2.515 1.702 110 HA VAL 15 HA VAL 15 -2.749 -1.832 4.287 111 HB VAL 15 HB VAL 15 -1.230 -0.040 3.800 112 HG11 VAL 15 1HG1 VAL 15 -1.422 1.385 1.807 113 HG12 VAL 15 2HG1 VAL 15 -2.600 0.249 1.141 114 HG13 VAL 15 3HG1 VAL 15 -0.944 -0.274 1.444 115 HG21 VAL 15 3HG2 VAL 15 -3.339 0.621 4.840 116 HG22 VAL 15 1HG2 VAL 15 -4.060 0.851 3.250 117 HG23 VAL 15 2HG2 VAL 15 -2.746 1.901 3.784 118 H ABA 16 H ABU 16 -4.879 -1.811 4.367 119 HA ABA 16 HA ABU 16 -6.384 -2.441 1.982 120 HB3 ABA 16 1HB ABU 16 -7.354 -2.017 4.822 121 HB2 ABA 16 2HB ABU 16 -6.850 -3.574 4.177 122 HG1 ABA 16 3HG ABU 16 -9.275 -3.362 4.201 123 HG3 ABA 16 1HG ABU 16 -8.668 -3.493 2.550 124 HG2 ABA 16 2HG ABU 16 -9.165 -1.927 3.182 125 H ARG 17 H ARG 17 -6.813 -0.875 0.689 126 HA ARG 17 HA ARG 17 -7.616 1.726 1.806 127 HB2 ARG 17 2HB ARG 17 -6.352 1.222 -0.891 128 HB3 ARG 17 1HB ARG 17 -6.728 2.781 -0.179 129 HG2 ARG 17 2HG ARG 17 -5.071 2.291 1.605 130 HG3 ARG 17 1HG ARG 17 -4.640 0.829 0.723 131 HD2 ARG 17 2HD ARG 17 -3.076 2.566 0.151 132 HD3 ARG 17 1HD ARG 17 -4.095 2.231 -1.248 133 HE ARG 17 HE ARG 17 -5.265 4.285 0.220 134 HH11 ARG 17 1HH1 ARG 17 -2.472 3.743 -1.872 135 HH12 ARG 17 2HH1 ARG 17 -2.230 5.380 -2.226 136 HH21 ARG 17 1HH2 ARG 17 -4.990 6.539 -0.312 137 HH22 ARG 17 2HH2 ARG 17 -3.705 7.011 -1.339 138 H ARG 18 H ARG 18 -9.641 2.226 1.373 139 HA ARG 18 HA ARG 18 -11.718 2.199 0.584 140 HB2 ARG 18 2HB ARG 18 -10.632 3.279 -1.329 141 HB3 ARG 18 1HB ARG 18 -10.251 1.697 -1.972 142 HG2 ARG 18 2HG ARG 18 -12.511 1.327 -2.610 143 HG3 ARG 18 1HG ARG 18 -13.065 2.706 -1.665 144 HD2 ARG 18 2HD ARG 18 -11.137 3.016 -3.950 145 HD3 ARG 18 1HD ARG 18 -12.882 3.036 -4.191 146 HE ARG 18 HE ARG 18 -13.005 4.952 -2.757 147 HH11 ARG 18 1HH1 ARG 18 -9.685 4.206 -3.813 148 HH12 ARG 18 2HH1 ARG 18 -9.157 5.812 -3.771 149 HH21 ARG 18 1HH2 ARG 18 -12.256 7.171 -2.723 150 HH22 ARG 18 2HH2 ARG 18 -10.661 7.565 -3.110 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -10.551 -0.604 2.547 2 HA2 GLY 1 2HA GLY 1 -11.290 -2.788 2.784 3 HA3 GLY 1 1HA GLY 1 -12.525 -2.453 1.575 4 H VAL 2 H VAL 2 -10.168 -1.323 -0.120 5 HA VAL 2 HA VAL 2 -9.738 -3.823 -1.503 6 HB VAL 2 HB VAL 2 -8.890 -1.013 -2.276 7 HG11 VAL 2 1HG1 VAL 2 -9.106 -3.510 -3.950 8 HG12 VAL 2 2HG1 VAL 2 -7.613 -2.753 -3.411 9 HG13 VAL 2 3HG1 VAL 2 -8.669 -1.907 -4.545 10 HG21 VAL 2 3HG2 VAL 2 -11.320 -1.149 -2.078 11 HG22 VAL 2 1HG2 VAL 2 -11.338 -2.561 -3.134 12 HG23 VAL 2 2HG2 VAL 2 -10.843 -0.991 -3.770 13 H ABA 3 H ABU 3 -8.074 -4.994 -0.899 14 HA ABA 3 HA ABU 3 -5.820 -3.796 0.447 15 HB3 ABA 3 1HB ABU 3 -6.317 -6.682 -0.306 16 HB2 ABA 3 2HB ABU 3 -6.734 -5.944 1.236 17 HG1 ABA 3 3HG ABU 3 -4.692 -7.237 1.419 18 HG3 ABA 3 1HG ABU 3 -4.371 -5.523 1.682 19 HG2 ABA 3 2HG ABU 3 -3.950 -6.273 0.142 20 H ARG 4 H ARG 4 -4.404 -2.810 -0.696 21 HA ARG 4 HA ARG 4 -3.325 -4.147 -3.076 22 HB2 ARG 4 2HB ARG 4 -3.538 -1.164 -2.540 23 HB3 ARG 4 1HB ARG 4 -2.668 -1.874 -3.888 24 HG2 ARG 4 2HG ARG 4 -4.772 -2.792 -4.747 25 HG3 ARG 4 1HG ARG 4 -5.630 -2.048 -3.395 26 HD2 ARG 4 2HD ARG 4 -5.836 -0.679 -5.403 27 HD3 ARG 4 1HD ARG 4 -4.915 0.167 -4.162 28 HE ARG 4 HE ARG 4 -3.048 -1.111 -5.726 29 HH11 ARG 4 1HH1 ARG 4 -5.529 1.350 -6.322 30 HH12 ARG 4 2HH1 ARG 4 -4.691 2.089 -7.607 31 HH21 ARG 4 1HH2 ARG 4 -1.915 -0.109 -7.458 32 HH22 ARG 4 2HH2 ARG 4 -2.588 1.222 -8.292 33 H CYS 5 H CYS 5 -1.155 -4.514 -2.947 34 HA CYS 5 HA CYS 5 0.097 -3.363 -0.597 35 HB2 CYS 5 2HB CYS 5 1.124 -5.651 -2.281 36 HB3 CYS 5 1HB CYS 5 1.855 -5.061 -0.810 37 H VAL 6 H VAL 6 1.950 -2.272 -0.738 38 HA VAL 6 HA VAL 6 2.990 -1.724 -3.403 39 HB VAL 6 HB VAL 6 1.332 0.022 -2.945 40 HG11 VAL 6 1HG1 VAL 6 2.997 0.753 -0.545 41 HG12 VAL 6 2HG1 VAL 6 1.361 0.097 -0.537 42 HG13 VAL 6 3HG1 VAL 6 1.662 1.709 -1.190 43 HG21 VAL 6 3HG2 VAL 6 2.756 2.007 -3.345 44 HG22 VAL 6 1HG2 VAL 6 3.231 0.623 -4.332 45 HG23 VAL 6 2HG2 VAL 6 4.173 1.051 -2.907 46 H CYS 7 H CYS 7 5.133 -1.645 -3.474 47 HA CYS 7 HA CYS 7 6.572 -1.392 -0.933 48 HB2 CYS 7 2HB CYS 7 7.526 -2.555 -3.537 49 HB3 CYS 7 1HB CYS 7 8.470 -2.428 -2.067 50 H ARG 8 H ARG 8 7.888 0.167 -0.664 51 HA ARG 8 HA ARG 8 8.748 1.800 -2.899 52 HB2 ARG 8 2HB ARG 8 6.468 2.654 -2.245 53 HB3 ARG 8 1HB ARG 8 7.140 3.063 -0.676 54 HG2 ARG 8 2HG ARG 8 8.682 4.612 -1.701 55 HG3 ARG 8 1HG ARG 8 8.117 4.135 -3.301 56 HD2 ARG 8 2HD ARG 8 5.846 4.925 -2.661 57 HD3 ARG 8 1HD ARG 8 6.540 5.544 -1.163 58 HE ARG 8 HE ARG 8 8.106 6.646 -3.028 59 HH11 ARG 8 1HH1 ARG 8 4.588 6.578 -2.617 60 HH12 ARG 8 2HH1 ARG 8 4.307 8.015 -3.466 61 HH21 ARG 8 1HH2 ARG 8 7.714 8.691 -4.180 62 HH22 ARG 8 2HH2 ARG 8 6.123 9.248 -4.359 63 H ARG 9 H ARG 9 10.718 2.518 -2.530 64 HA ARG 9 HA ARG 9 12.672 2.995 -1.572 65 HB2 ARG 9 2HB ARG 9 11.209 4.747 -0.459 66 HB3 ARG 9 1HB ARG 9 11.113 3.643 0.902 67 HG2 ARG 9 2HG ARG 9 12.737 5.373 1.384 68 HG3 ARG 9 1HG ARG 9 13.565 3.832 1.195 69 HD2 ARG 9 2HD ARG 9 13.327 5.949 -0.942 70 HD3 ARG 9 1HD ARG 9 14.736 5.744 0.095 71 HE ARG 9 HE ARG 9 14.793 3.418 -0.924 72 HH11 ARG 9 1HH1 ARG 9 13.800 6.339 -2.677 73 HH12 ARG 9 2HH1 ARG 9 14.135 5.723 -4.217 74 HH21 ARG 9 1HH2 ARG 9 15.262 2.546 -3.067 75 HH22 ARG 9 2HH2 ARG 9 14.982 3.500 -4.449 76 H GLY 10 H GLY 10 11.560 0.285 -1.324 77 HA2 GLY 10 2HA GLY 10 12.691 -1.626 -0.675 78 HA3 GLY 10 1HA GLY 10 13.553 -0.657 0.510 79 H VAL 11 H VAL 11 10.367 0.144 0.951 80 HA VAL 11 HA VAL 11 10.039 -2.028 2.874 81 HB VAL 11 HB VAL 11 10.494 0.146 4.022 82 HG11 VAL 11 1HG1 VAL 11 7.959 1.132 2.757 83 HG12 VAL 11 2HG1 VAL 11 9.594 1.694 2.416 84 HG13 VAL 11 3HG1 VAL 11 8.885 1.964 4.008 85 HG21 VAL 11 3HG2 VAL 11 7.694 -0.887 4.421 86 HG22 VAL 11 1HG2 VAL 11 8.562 0.155 5.546 87 HG23 VAL 11 2HG2 VAL 11 9.166 -1.462 5.210 88 H CYS 12 H CYS 12 7.935 -2.888 3.086 89 HA CYS 12 HA CYS 12 6.254 -2.125 0.852 90 HB2 CYS 12 2HB CYS 12 6.734 -4.901 1.939 91 HB3 CYS 12 1HB CYS 12 5.584 -4.504 0.669 92 H ARG 13 H ARG 13 4.166 -1.816 1.268 93 HA ARG 13 HA ARG 13 3.149 -2.616 3.879 94 HB2 ARG 13 2HB ARG 13 3.591 -0.286 4.111 95 HB3 ARG 13 1HB ARG 13 2.879 0.077 2.552 96 HG2 ARG 13 2HG ARG 13 0.663 -0.340 3.373 97 HG3 ARG 13 1HG ARG 13 1.284 -1.001 4.885 98 HD2 ARG 13 2HD ARG 13 1.656 1.841 3.954 99 HD3 ARG 13 1HD ARG 13 0.418 1.310 5.097 100 HE ARG 13 HE ARG 13 2.818 0.402 6.068 101 HH11 ARG 13 1HH1 ARG 13 1.390 3.606 5.414 102 HH12 ARG 13 2HH1 ARG 13 2.272 4.374 6.648 103 HH21 ARG 13 1HH2 ARG 13 3.986 1.493 7.773 104 HH22 ARG 13 2HH2 ARG 13 3.754 3.149 8.027 105 H CYS 14 H CYS 14 1.347 -3.704 3.766 106 HA CYS 14 HA CYS 14 -0.097 -3.603 1.279 107 HB2 CYS 14 2HB CYS 14 -0.309 -5.595 3.535 108 HB3 CYS 14 1HB CYS 14 -1.374 -5.505 2.121 109 H VAL 15 H VAL 15 -1.686 -2.393 1.128 110 HA VAL 15 HA VAL 15 -2.818 -1.426 3.643 111 HB VAL 15 HB VAL 15 -1.485 0.295 2.523 112 HG11 VAL 15 1HG1 VAL 15 -3.408 0.099 0.224 113 HG12 VAL 15 2HG1 VAL 15 -1.698 -0.326 0.211 114 HG13 VAL 15 3HG1 VAL 15 -2.187 1.353 0.435 115 HG21 VAL 15 3HG2 VAL 15 -3.309 1.049 3.897 116 HG22 VAL 15 1HG2 VAL 15 -4.430 0.901 2.540 117 HG23 VAL 15 2HG2 VAL 15 -3.146 2.111 2.498 118 H ABA 16 H ABU 16 -4.814 -1.836 4.036 119 HA ABA 16 HA ABU 16 -6.606 -2.716 1.920 120 HB3 ABA 16 1HB ABU 16 -8.186 -3.159 3.789 121 HB2 ABA 16 2HB ABU 16 -7.026 -2.483 4.926 122 HG1 ABA 16 3HG ABU 16 -5.455 -4.272 4.392 123 HG3 ABA 16 1HG ABU 16 -6.629 -4.963 3.271 124 HG2 ABA 16 2HG ABU 16 -6.989 -4.898 4.996 125 H ARG 17 H ARG 17 -6.758 -0.818 0.822 126 HA ARG 17 HA ARG 17 -7.567 1.547 2.296 127 HB2 ARG 17 2HB ARG 17 -5.651 1.356 0.484 128 HB3 ARG 17 1HB ARG 17 -6.998 1.510 -0.634 129 HG2 ARG 17 2HG ARG 17 -6.000 3.665 -0.233 130 HG3 ARG 17 1HG ARG 17 -7.631 3.626 0.448 131 HD2 ARG 17 2HD ARG 17 -6.741 3.242 2.673 132 HD3 ARG 17 1HD ARG 17 -5.109 3.105 2.022 133 HE ARG 17 HE ARG 17 -6.022 5.557 1.286 134 HH11 ARG 17 1HH1 ARG 17 -5.606 3.842 4.378 135 HH12 ARG 17 2HH1 ARG 17 -5.203 5.231 5.253 136 HH21 ARG 17 1HH2 ARG 17 -5.443 7.488 2.514 137 HH22 ARG 17 2HH2 ARG 17 -5.070 7.360 4.161 138 H ARG 18 H ARG 18 -9.666 1.777 2.513 139 HA ARG 18 HA ARG 18 -11.878 1.815 2.116 140 HB2 ARG 18 2HB ARG 18 -11.055 3.201 0.177 141 HB3 ARG 18 1HB ARG 18 -11.065 1.714 -0.751 142 HG2 ARG 18 2HG ARG 18 -13.480 1.573 -0.547 143 HG3 ARG 18 1HG ARG 18 -13.482 3.035 0.451 144 HD2 ARG 18 2HD ARG 18 -12.513 2.853 -2.397 145 HD3 ARG 18 1HD ARG 18 -14.057 3.527 -1.876 146 HE ARG 18 HE ARG 18 -12.694 5.130 -0.563 147 HH11 ARG 18 1HH1 ARG 18 -11.406 3.714 -3.524 148 HH12 ARG 18 2HH1 ARG 18 -10.424 5.034 -3.924 149 HH21 ARG 18 1HH2 ARG 18 -11.366 6.974 -1.095 150 HH22 ARG 18 2HH2 ARG 18 -10.418 6.965 -2.500 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -10.631 -0.073 1.825 2 HA2 GLY 1 2HA GLY 1 -11.675 -1.973 2.530 3 HA3 GLY 1 1HA GLY 1 -12.611 -1.976 1.047 4 H VAL 2 H VAL 2 -9.645 -1.702 -0.186 5 HA VAL 2 HA VAL 2 -9.417 -4.628 -0.318 6 HB VAL 2 HB VAL 2 -8.563 -2.588 -2.392 7 HG11 VAL 2 1HG1 VAL 2 -8.143 -4.516 -3.850 8 HG12 VAL 2 2HG1 VAL 2 -8.556 -5.608 -2.531 9 HG13 VAL 2 3HG1 VAL 2 -7.129 -4.579 -2.407 10 HG21 VAL 2 3HG2 VAL 2 -10.871 -4.533 -2.380 11 HG22 VAL 2 1HG2 VAL 2 -10.390 -3.528 -3.748 12 HG23 VAL 2 2HG2 VAL 2 -10.982 -2.780 -2.263 13 H ABA 3 H ABU 3 -7.659 -5.549 0.457 14 HA ABA 3 HA ABU 3 -5.479 -3.904 1.374 15 HB3 ABA 3 1HB ABU 3 -5.785 -6.925 1.438 16 HB2 ABA 3 2HB ABU 3 -6.342 -5.853 2.714 17 HG1 ABA 3 3HG ABU 3 -4.223 -6.887 3.299 18 HG3 ABA 3 1HG ABU 3 -4.042 -5.137 3.132 19 HG2 ABA 3 2HG ABU 3 -3.481 -6.212 1.851 20 H ARG 4 H ARG 4 -4.944 -3.120 -0.635 21 HA ARG 4 HA ARG 4 -3.409 -4.992 -2.254 22 HB2 ARG 4 2HB ARG 4 -3.708 -3.438 -4.170 23 HB3 ARG 4 1HB ARG 4 -5.225 -4.074 -3.581 24 HG2 ARG 4 2HG ARG 4 -5.467 -1.895 -2.300 25 HG3 ARG 4 1HG ARG 4 -4.116 -1.305 -3.270 26 HD2 ARG 4 2HD ARG 4 -6.772 -2.318 -4.292 27 HD3 ARG 4 1HD ARG 4 -6.201 -0.655 -4.308 28 HE ARG 4 HE ARG 4 -4.388 -2.265 -5.713 29 HH11 ARG 4 1HH1 ARG 4 -7.696 -1.057 -6.061 30 HH12 ARG 4 2HH1 ARG 4 -7.652 -1.000 -7.753 31 HH21 ARG 4 1HH2 ARG 4 -4.328 -2.217 -8.040 32 HH22 ARG 4 2HH2 ARG 4 -5.696 -1.706 -8.910 33 H CYS 5 H CYS 5 -1.338 -4.521 -2.702 34 HA CYS 5 HA CYS 5 -0.238 -2.868 -0.586 35 HB2 CYS 5 2HB CYS 5 1.143 -4.966 -2.213 36 HB3 CYS 5 1HB CYS 5 1.617 -4.324 -0.636 37 H VAL 6 H VAL 6 1.716 -1.758 -0.869 38 HA VAL 6 HA VAL 6 2.503 -1.087 -3.583 39 HB VAL 6 HB VAL 6 0.883 0.646 -2.863 40 HG11 VAL 6 1HG1 VAL 6 2.804 1.244 -0.627 41 HG12 VAL 6 2HG1 VAL 6 1.167 0.602 -0.479 42 HG13 VAL 6 3HG1 VAL 6 1.423 2.240 -1.086 43 HG21 VAL 6 3HG2 VAL 6 3.713 1.661 -3.076 44 HG22 VAL 6 1HG2 VAL 6 2.267 2.640 -3.318 45 HG23 VAL 6 2HG2 VAL 6 2.624 1.306 -4.416 46 H CYS 7 H CYS 7 4.749 -0.750 -3.740 47 HA CYS 7 HA CYS 7 6.190 -1.095 -1.222 48 HB2 CYS 7 2HB CYS 7 7.213 -1.591 -4.015 49 HB3 CYS 7 1HB CYS 7 8.093 -1.886 -2.530 50 H ARG 8 H ARG 8 7.661 0.236 -0.555 51 HA ARG 8 HA ARG 8 8.588 2.414 -2.162 52 HB2 ARG 8 2HB ARG 8 7.665 4.183 -0.701 53 HB3 ARG 8 1HB ARG 8 6.407 3.293 -1.536 54 HG2 ARG 8 2HG ARG 8 5.978 2.013 0.523 55 HG3 ARG 8 1HG ARG 8 7.213 2.955 1.356 56 HD2 ARG 8 2HD ARG 8 4.644 3.977 0.148 57 HD3 ARG 8 1HD ARG 8 5.054 3.874 1.861 58 HE ARG 8 HE ARG 8 7.007 5.390 0.657 59 HH11 ARG 8 1HH1 ARG 8 3.582 5.699 1.438 60 HH12 ARG 8 2HH1 ARG 8 3.547 7.398 1.296 61 HH21 ARG 8 1HH2 ARG 8 6.974 7.658 0.459 62 HH22 ARG 8 2HH2 ARG 8 5.549 8.565 0.720 63 H ARG 9 H ARG 9 10.523 3.069 -1.480 64 HA ARG 9 HA ARG 9 12.460 3.206 -0.324 65 HB2 ARG 9 2HB ARG 9 10.989 4.440 1.262 66 HB3 ARG 9 1HB ARG 9 10.674 2.919 2.068 67 HG2 ARG 9 2HG ARG 9 12.977 2.790 2.800 68 HG3 ARG 9 1HG ARG 9 13.369 4.256 1.903 69 HD2 ARG 9 2HD ARG 9 11.371 4.099 4.160 70 HD3 ARG 9 1HD ARG 9 13.033 4.657 4.336 71 HE ARG 9 HE ARG 9 11.862 6.132 2.312 72 HH11 ARG 9 1HH1 ARG 9 11.453 5.729 5.828 73 HH12 ARG 9 2HH1 ARG 9 10.910 7.319 6.077 74 HH21 ARG 9 1HH2 ARG 9 11.126 8.364 2.716 75 HH22 ARG 9 2HH2 ARG 9 10.696 8.804 4.302 76 H GLY 10 H GLY 10 11.316 0.561 -1.121 77 HA2 GLY 10 2HA GLY 10 12.240 -1.539 -1.165 78 HA3 GLY 10 1HA GLY 10 13.274 -1.069 0.177 79 H VAL 11 H VAL 11 10.187 -0.201 0.914 80 HA VAL 11 HA VAL 11 9.770 -2.602 2.523 81 HB VAL 11 HB VAL 11 8.696 0.208 2.929 82 HG11 VAL 11 1HG1 VAL 11 7.246 -1.482 3.877 83 HG12 VAL 11 2HG1 VAL 11 8.060 -0.588 5.168 84 HG13 VAL 11 3HG1 VAL 11 8.611 -2.204 4.733 85 HG21 VAL 11 3HG2 VAL 11 10.267 0.403 4.811 86 HG22 VAL 11 1HG2 VAL 11 11.104 0.203 3.271 87 HG23 VAL 11 2HG2 VAL 11 10.965 -1.159 4.379 88 H CYS 12 H CYS 12 8.088 -3.806 1.868 89 HA CYS 12 HA CYS 12 6.230 -2.487 0.117 90 HB2 CYS 12 2HB CYS 12 6.728 -5.435 0.581 91 HB3 CYS 12 1HB CYS 12 5.440 -4.784 -0.437 92 H ARG 13 H ARG 13 4.381 -1.873 0.780 93 HA ARG 13 HA ARG 13 3.615 -2.694 3.474 94 HB2 ARG 13 2HB ARG 13 4.507 -0.426 3.253 95 HB3 ARG 13 1HB ARG 13 3.239 -0.039 2.100 96 HG2 ARG 13 2HG ARG 13 1.553 -0.433 3.825 97 HG3 ARG 13 1HG ARG 13 2.831 -0.801 4.990 98 HD2 ARG 13 2HD ARG 13 3.750 1.496 4.516 99 HD3 ARG 13 1HD ARG 13 2.265 1.808 3.617 100 HE ARG 13 HE ARG 13 1.511 0.860 6.089 101 HH11 ARG 13 1HH1 ARG 13 3.019 3.752 4.718 102 HH12 ARG 13 2HH1 ARG 13 2.722 4.719 6.091 103 HH21 ARG 13 1HH2 ARG 13 1.126 2.238 7.991 104 HH22 ARG 13 2HH2 ARG 13 1.642 3.861 7.942 105 H CYS 14 H CYS 14 1.793 -3.816 3.450 106 HA CYS 14 HA CYS 14 0.015 -3.431 1.256 107 HB2 CYS 14 2HB CYS 14 -0.025 -5.441 3.495 108 HB3 CYS 14 1HB CYS 14 -1.268 -5.311 2.245 109 H VAL 15 H VAL 15 -1.679 -2.219 1.342 110 HA VAL 15 HA VAL 15 -2.467 -1.139 3.946 111 HB VAL 15 HB VAL 15 -2.487 0.240 1.252 112 HG11 VAL 15 1HG1 VAL 15 -3.016 2.271 2.496 113 HG12 VAL 15 2HG1 VAL 15 -3.085 1.336 3.990 114 HG13 VAL 15 3HG1 VAL 15 -4.259 1.036 2.705 115 HG21 VAL 15 3HG2 VAL 15 -0.688 1.662 2.139 116 HG22 VAL 15 1HG2 VAL 15 -0.203 -0.029 2.032 117 HG23 VAL 15 2HG2 VAL 15 -0.636 0.663 3.593 118 H ABA 16 H ABU 16 -4.542 -1.581 4.413 119 HA ABA 16 HA ABU 16 -6.364 -2.521 2.402 120 HB3 ABA 16 1HB ABU 16 -6.938 -1.656 5.256 121 HB2 ABA 16 2HB ABU 16 -6.485 -3.293 4.793 122 HG1 ABA 16 3HG ABU 16 -8.956 -1.832 3.883 123 HG3 ABA 16 1HG ABU 16 -8.897 -3.094 5.112 124 HG2 ABA 16 2HG ABU 16 -8.506 -3.476 3.437 125 H ARG 17 H ARG 17 -6.668 -1.041 0.942 126 HA ARG 17 HA ARG 17 -7.592 1.548 1.826 127 HB2 ARG 17 2HB ARG 17 -6.495 2.422 -0.341 128 HB3 ARG 17 1HB ARG 17 -5.483 2.084 1.051 129 HG2 ARG 17 2HG ARG 17 -4.994 -0.158 -0.008 130 HG3 ARG 17 1HG ARG 17 -5.778 0.465 -1.465 131 HD2 ARG 17 2HD ARG 17 -4.215 2.333 -1.516 132 HD3 ARG 17 1HD ARG 17 -3.453 1.750 -0.042 133 HE ARG 17 HE ARG 17 -3.020 -0.337 -1.502 134 HH11 ARG 17 1HH1 ARG 17 -2.925 3.023 -2.577 135 HH12 ARG 17 2HH1 ARG 17 -1.714 2.791 -3.744 136 HH21 ARG 17 1HH2 ARG 17 -1.315 -0.676 -3.183 137 HH22 ARG 17 2HH2 ARG 17 -0.833 0.670 -4.101 138 H ARG 18 H ARG 18 -9.420 2.115 1.250 139 HA ARG 18 HA ARG 18 -11.467 2.086 0.518 140 HB2 ARG 18 2HB ARG 18 -10.343 2.955 -1.578 141 HB3 ARG 18 1HB ARG 18 -10.334 1.279 -2.128 142 HG2 ARG 18 2HG ARG 18 -12.159 2.647 -3.127 143 HG3 ARG 18 1HG ARG 18 -12.723 1.219 -2.260 144 HD2 ARG 18 2HD ARG 18 -13.146 2.680 -0.269 145 HD3 ARG 18 1HD ARG 18 -12.726 4.075 -1.258 146 HE ARG 18 HE ARG 18 -14.650 2.893 -2.677 147 HH11 ARG 18 1HH1 ARG 18 -14.445 3.971 0.677 148 HH12 ARG 18 2HH1 ARG 18 -16.121 4.104 0.910 149 HH21 ARG 18 1HH2 ARG 18 -16.973 3.111 -2.382 150 HH22 ARG 18 2HH2 ARG 18 -17.600 3.630 -0.893 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -10.228 -0.538 1.870 2 HA2 GLY 1 2HA GLY 1 -11.344 -2.457 2.654 3 HA3 GLY 1 1HA GLY 1 -12.403 -2.338 1.250 4 H VAL 2 H VAL 2 -9.796 -1.913 -0.352 5 HA VAL 2 HA VAL 2 -9.383 -4.760 -0.809 6 HB VAL 2 HB VAL 2 -8.530 -2.379 -2.486 7 HG11 VAL 2 1HG1 VAL 2 -7.132 -4.346 -2.871 8 HG12 VAL 2 2HG1 VAL 2 -8.151 -4.018 -4.272 9 HG13 VAL 2 3HG1 VAL 2 -8.572 -5.323 -3.167 10 HG21 VAL 2 3HG2 VAL 2 -10.878 -4.238 -2.839 11 HG22 VAL 2 1HG2 VAL 2 -10.374 -2.994 -3.985 12 HG23 VAL 2 2HG2 VAL 2 -10.951 -2.536 -2.382 13 H ABA 3 H ABU 3 -7.556 -5.689 -0.191 14 HA ABA 3 HA ABU 3 -5.527 -4.132 1.113 15 HB3 ABA 3 1HB ABU 3 -5.572 -7.098 0.488 16 HB2 ABA 3 2HB ABU 3 -6.189 -6.367 1.968 17 HG1 ABA 3 3HG ABU 3 -3.320 -6.318 1.067 18 HG3 ABA 3 1HG ABU 3 -3.994 -7.365 2.318 19 HG2 ABA 3 2HG ABU 3 -3.952 -5.616 2.554 20 H ARG 4 H ARG 4 -4.616 -2.877 -0.393 21 HA ARG 4 HA ARG 4 -3.245 -4.169 -2.641 22 HB2 ARG 4 2HB ARG 4 -4.820 -2.344 -3.277 23 HB3 ARG 4 1HB ARG 4 -3.949 -1.238 -2.229 24 HG2 ARG 4 2HG ARG 4 -1.954 -1.473 -3.622 25 HG3 ARG 4 1HG ARG 4 -2.802 -2.597 -4.670 26 HD2 ARG 4 2HD ARG 4 -3.524 0.301 -4.212 27 HD3 ARG 4 1HD ARG 4 -2.723 -0.359 -5.634 28 HE ARG 4 HE ARG 4 -5.407 -1.271 -4.878 29 HH11 ARG 4 1HH1 ARG 4 -3.278 0.253 -7.294 30 HH12 ARG 4 2HH1 ARG 4 -4.467 0.357 -8.487 31 HH21 ARG 4 1HH2 ARG 4 -7.057 -1.100 -6.540 32 HH22 ARG 4 2HH2 ARG 4 -6.669 -0.415 -8.051 33 H CYS 5 H CYS 5 -1.028 -4.090 -2.655 34 HA CYS 5 HA CYS 5 0.054 -2.796 -0.297 35 HB2 CYS 5 2HB CYS 5 1.490 -4.850 -1.950 36 HB3 CYS 5 1HB CYS 5 1.878 -4.313 -0.335 37 H VAL 6 H VAL 6 1.512 -1.393 -0.374 38 HA VAL 6 HA VAL 6 2.312 -0.342 -3.012 39 HB VAL 6 HB VAL 6 2.096 1.184 -0.395 40 HG11 VAL 6 1HG1 VAL 6 2.533 2.171 -3.211 41 HG12 VAL 6 2HG1 VAL 6 3.722 2.156 -1.908 42 HG13 VAL 6 3HG1 VAL 6 2.304 3.197 -1.798 43 HG21 VAL 6 3HG2 VAL 6 0.088 2.262 -1.334 44 HG22 VAL 6 1HG2 VAL 6 -0.137 0.529 -1.127 45 HG23 VAL 6 2HG2 VAL 6 0.180 1.196 -2.733 46 H CYS 7 H CYS 7 4.461 -0.414 -3.382 47 HA CYS 7 HA CYS 7 6.151 -0.934 -1.058 48 HB2 CYS 7 2HB CYS 7 6.823 -1.359 -3.953 49 HB3 CYS 7 1HB CYS 7 7.812 -1.817 -2.580 50 H ARG 8 H ARG 8 7.580 0.303 -0.438 51 HA ARG 8 HA ARG 8 8.401 2.623 -2.012 52 HB2 ARG 8 2HB ARG 8 6.387 3.367 -0.838 53 HB3 ARG 8 1HB ARG 8 7.057 2.821 0.686 54 HG2 ARG 8 2HG ARG 8 8.818 4.511 0.518 55 HG3 ARG 8 1HG ARG 8 8.146 5.053 -1.020 56 HD2 ARG 8 2HD ARG 8 7.396 6.498 0.803 57 HD3 ARG 8 1HD ARG 8 6.048 5.614 0.085 58 HE ARG 8 HE ARG 8 7.267 4.423 2.416 59 HH11 ARG 8 1HH1 ARG 8 4.572 6.351 1.136 60 HH12 ARG 8 2HH1 ARG 8 3.599 6.170 2.521 61 HH21 ARG 8 1HH2 ARG 8 5.889 4.176 4.328 62 HH22 ARG 8 2HH2 ARG 8 4.367 4.947 4.365 63 H ARG 9 H ARG 9 10.509 2.705 -1.855 64 HA ARG 9 HA ARG 9 12.630 2.649 -1.129 65 HB2 ARG 9 2HB ARG 9 11.628 4.242 0.582 66 HB3 ARG 9 1HB ARG 9 11.476 2.841 1.623 67 HG2 ARG 9 2HG ARG 9 13.407 4.198 2.263 68 HG3 ARG 9 1HG ARG 9 13.908 2.604 1.696 69 HD2 ARG 9 2HD ARG 9 13.898 5.048 -0.066 70 HD3 ARG 9 1HD ARG 9 15.295 4.579 0.900 71 HE ARG 9 HE ARG 9 14.885 2.348 -0.420 72 HH11 ARG 9 1HH1 ARG 9 14.820 5.653 -1.714 73 HH12 ARG 9 2HH1 ARG 9 15.322 5.189 -3.270 74 HH21 ARG 9 1HH2 ARG 9 15.592 1.755 -2.551 75 HH22 ARG 9 2HH2 ARG 9 15.802 2.937 -3.752 76 H GLY 10 H GLY 10 11.243 0.245 -1.553 77 HA2 GLY 10 2HA GLY 10 11.951 -1.940 -1.579 78 HA3 GLY 10 1HA GLY 10 13.111 -1.533 -0.321 79 H VAL 11 H VAL 11 10.231 -0.367 0.723 80 HA VAL 11 HA VAL 11 9.740 -2.786 2.290 81 HB VAL 11 HB VAL 11 9.013 0.109 2.876 82 HG11 VAL 11 1HG1 VAL 11 8.636 -2.361 4.576 83 HG12 VAL 11 2HG1 VAL 11 7.356 -1.418 3.808 84 HG13 VAL 11 3HG1 VAL 11 8.328 -0.703 5.094 85 HG21 VAL 11 3HG2 VAL 11 11.396 -0.291 3.113 86 HG22 VAL 11 1HG2 VAL 11 11.076 -1.679 4.151 87 HG23 VAL 11 2HG2 VAL 11 10.650 -0.059 4.697 88 H CYS 12 H CYS 12 7.928 -3.836 1.803 89 HA CYS 12 HA CYS 12 6.001 -2.381 0.227 90 HB2 CYS 12 2HB CYS 12 6.436 -5.354 0.535 91 HB3 CYS 12 1HB CYS 12 5.074 -4.661 -0.338 92 H ARG 13 H ARG 13 4.259 -1.746 1.111 93 HA ARG 13 HA ARG 13 3.539 -2.827 3.731 94 HB2 ARG 13 2HB ARG 13 4.461 -0.568 3.710 95 HB3 ARG 13 1HB ARG 13 3.209 -0.063 2.584 96 HG2 ARG 13 2HG ARG 13 1.498 -0.523 4.235 97 HG3 ARG 13 1HG ARG 13 2.734 -1.062 5.379 98 HD2 ARG 13 2HD ARG 13 3.753 1.203 5.214 99 HD3 ARG 13 1HD ARG 13 2.377 1.694 4.223 100 HE ARG 13 HE ARG 13 1.710 0.513 6.752 101 HH11 ARG 13 1HH1 ARG 13 2.231 3.552 4.986 102 HH12 ARG 13 2HH1 ARG 13 1.578 4.525 6.212 103 HH21 ARG 13 1HH2 ARG 13 0.770 1.886 8.401 104 HH22 ARG 13 2HH2 ARG 13 0.668 3.566 8.168 105 H CYS 14 H CYS 14 1.582 -3.801 3.777 106 HA CYS 14 HA CYS 14 -0.110 -3.343 1.508 107 HB2 CYS 14 2HB CYS 14 -0.331 -5.447 3.652 108 HB3 CYS 14 1HB CYS 14 -1.375 -5.269 2.235 109 H VAL 15 H VAL 15 -1.717 -2.116 1.525 110 HA VAL 15 HA VAL 15 -2.684 -1.178 4.146 111 HB VAL 15 HB VAL 15 -2.561 0.454 1.594 112 HG11 VAL 15 1HG1 VAL 15 -4.301 1.130 3.171 113 HG12 VAL 15 2HG1 VAL 15 -3.049 2.347 2.991 114 HG13 VAL 15 3HG1 VAL 15 -3.075 1.325 4.430 115 HG21 VAL 15 3HG2 VAL 15 -0.693 0.564 3.966 116 HG22 VAL 15 1HG2 VAL 15 -0.704 1.700 2.620 117 HG23 VAL 15 2HG2 VAL 15 -0.280 0.008 2.346 118 H ABA 16 H ABU 16 -4.858 -1.083 4.400 119 HA ABA 16 HA ABU 16 -6.508 -2.395 2.464 120 HB3 ABA 16 1HB ABU 16 -7.277 -0.945 5.014 121 HB2 ABA 16 2HB ABU 16 -6.861 -2.652 4.931 122 HG1 ABA 16 3HG ABU 16 -8.793 -3.069 3.509 123 HG3 ABA 16 1HG ABU 16 -9.202 -1.356 3.550 124 HG2 ABA 16 2HG ABU 16 -9.274 -2.306 5.026 125 H ARG 17 H ARG 17 -6.517 -1.157 0.689 126 HA ARG 17 HA ARG 17 -7.121 1.682 0.858 127 HB2 ARG 17 2HB ARG 17 -6.472 -0.041 -1.543 128 HB3 ARG 17 1HB ARG 17 -6.662 1.699 -1.537 129 HG2 ARG 17 2HG ARG 17 -4.478 0.135 -0.167 130 HG3 ARG 17 1HG ARG 17 -4.315 1.106 -1.625 131 HD2 ARG 17 2HD ARG 17 -4.943 2.077 1.160 132 HD3 ARG 17 1HD ARG 17 -3.462 2.341 0.254 133 HE ARG 17 HE ARG 17 -5.344 3.418 -1.341 134 HH11 ARG 17 1HH1 ARG 17 -4.402 3.990 2.033 135 HH12 ARG 17 2HH1 ARG 17 -5.078 5.548 2.095 136 HH21 ARG 17 1HH2 ARG 17 -6.266 5.561 -1.231 137 HH22 ARG 17 2HH2 ARG 17 -6.171 6.465 0.201 138 H ARG 18 H ARG 18 -9.224 1.825 1.334 139 HA ARG 18 HA ARG 18 -11.437 1.866 1.092 140 HB2 ARG 18 2HB ARG 18 -10.668 2.798 -1.163 141 HB3 ARG 18 1HB ARG 18 -10.966 1.176 -1.768 142 HG2 ARG 18 2HG ARG 18 -12.809 2.749 -2.278 143 HG3 ARG 18 1HG ARG 18 -13.318 1.366 -1.314 144 HD2 ARG 18 2HD ARG 18 -14.293 3.499 -0.528 145 HD3 ARG 18 1HD ARG 18 -13.325 2.695 0.697 146 HE ARG 18 HE ARG 18 -11.618 4.449 -0.566 147 HH11 ARG 18 1HH1 ARG 18 -14.669 4.795 1.184 148 HH12 ARG 18 2HH1 ARG 18 -14.293 6.309 1.844 149 HH21 ARG 18 1HH2 ARG 18 -11.090 6.514 0.307 150 HH22 ARG 18 2HH2 ARG 18 -12.211 7.349 1.293 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -10.779 -0.145 1.920 2 HA2 GLY 1 2HA GLY 1 -11.690 -2.178 2.423 3 HA3 GLY 1 1HA GLY 1 -12.716 -2.050 1.005 4 H VAL 2 H VAL 2 -9.942 -1.491 -0.434 5 HA VAL 2 HA VAL 2 -9.619 -4.323 -1.065 6 HB VAL 2 HB VAL 2 -8.561 -1.877 -2.520 7 HG11 VAL 2 1HG1 VAL 2 -8.629 -4.769 -3.390 8 HG12 VAL 2 2HG1 VAL 2 -7.189 -3.858 -2.933 9 HG13 VAL 2 3HG1 VAL 2 -8.099 -3.409 -4.375 10 HG21 VAL 2 3HG2 VAL 2 -10.308 -2.311 -4.168 11 HG22 VAL 2 1HG2 VAL 2 -10.995 -1.995 -2.578 12 HG23 VAL 2 2HG2 VAL 2 -10.911 -3.648 -3.187 13 H ABA 3 H ABU 3 -7.977 -5.411 -0.273 14 HA ABA 3 HA ABU 3 -5.795 -4.018 1.017 15 HB3 ABA 3 1HB ABU 3 -6.312 -6.991 0.674 16 HB2 ABA 3 2HB ABU 3 -6.748 -6.040 2.088 17 HG1 ABA 3 3HG ABU 3 -4.713 -7.335 2.465 18 HG3 ABA 3 1HG ABU 3 -4.399 -5.603 2.546 19 HG2 ABA 3 2HG ABU 3 -3.940 -6.517 1.109 20 H ARG 4 H ARG 4 -4.321 -3.249 -0.240 21 HA ARG 4 HA ARG 4 -3.240 -4.900 -2.389 22 HB2 ARG 4 2HB ARG 4 -4.886 -3.218 -3.300 23 HB3 ARG 4 1HB ARG 4 -3.893 -1.944 -2.611 24 HG2 ARG 4 2HG ARG 4 -2.062 -2.552 -4.061 25 HG3 ARG 4 1HG ARG 4 -2.997 -3.898 -4.718 26 HD2 ARG 4 2HD ARG 4 -4.668 -2.314 -5.564 27 HD3 ARG 4 1HD ARG 4 -3.719 -0.969 -4.925 28 HE ARG 4 HE ARG 4 -2.117 -2.544 -6.585 29 HH11 ARG 4 1HH1 ARG 4 -4.790 -0.238 -6.871 30 HH12 ARG 4 2HH1 ARG 4 -4.370 0.252 -8.449 31 HH21 ARG 4 1HH2 ARG 4 -1.546 -1.858 -8.725 32 HH22 ARG 4 2HH2 ARG 4 -2.452 -0.645 -9.501 33 H CYS 5 H CYS 5 -0.962 -4.561 -2.618 34 HA CYS 5 HA CYS 5 0.052 -3.148 -0.301 35 HB2 CYS 5 2HB CYS 5 1.531 -5.192 -1.946 36 HB3 CYS 5 1HB CYS 5 1.994 -4.570 -0.370 37 H VAL 6 H VAL 6 1.698 -1.771 -0.402 38 HA VAL 6 HA VAL 6 2.344 -0.682 -3.077 39 HB VAL 6 HB VAL 6 2.153 0.838 -0.455 40 HG11 VAL 6 1HG1 VAL 6 3.722 1.843 -2.005 41 HG12 VAL 6 2HG1 VAL 6 2.285 2.854 -1.830 42 HG13 VAL 6 3HG1 VAL 6 2.491 1.857 -3.270 43 HG21 VAL 6 3HG2 VAL 6 0.200 0.806 -2.746 44 HG22 VAL 6 1HG2 VAL 6 0.114 1.854 -1.332 45 HG23 VAL 6 2HG2 VAL 6 -0.065 0.106 -1.150 46 H CYS 7 H CYS 7 4.517 -0.621 -3.492 47 HA CYS 7 HA CYS 7 6.264 -1.076 -1.198 48 HB2 CYS 7 2HB CYS 7 6.891 -1.551 -4.096 49 HB3 CYS 7 1HB CYS 7 7.942 -1.908 -2.740 50 H ARG 8 H ARG 8 7.669 0.258 -0.640 51 HA ARG 8 HA ARG 8 8.379 2.580 -2.262 52 HB2 ARG 8 2HB ARG 8 6.314 3.296 -1.166 53 HB3 ARG 8 1HB ARG 8 6.946 2.805 0.393 54 HG2 ARG 8 2HG ARG 8 8.669 4.543 0.254 55 HG3 ARG 8 1HG ARG 8 8.051 5.031 -1.322 56 HD2 ARG 8 2HD ARG 8 6.516 5.113 1.285 57 HD3 ARG 8 1HD ARG 8 7.230 6.502 0.474 58 HE ARG 8 HE ARG 8 5.406 4.996 -1.152 59 HH11 ARG 8 1HH1 ARG 8 5.600 7.639 1.187 60 HH12 ARG 8 2HH1 ARG 8 4.183 8.411 0.665 61 HH21 ARG 8 1HH2 ARG 8 3.483 6.027 -1.902 62 HH22 ARG 8 2HH2 ARG 8 2.914 7.442 -1.132 63 H ARG 9 H ARG 9 10.438 3.060 -1.916 64 HA ARG 9 HA ARG 9 12.482 3.299 -1.050 65 HB2 ARG 9 2HB ARG 9 11.105 4.626 0.620 66 HB3 ARG 9 1HB ARG 9 11.179 3.194 1.634 67 HG2 ARG 9 2HG ARG 9 12.814 4.929 2.301 68 HG3 ARG 9 1HG ARG 9 13.573 3.401 1.844 69 HD2 ARG 9 2HD ARG 9 14.114 4.286 -0.344 70 HD3 ARG 9 1HD ARG 9 13.264 5.787 0.027 71 HE ARG 9 HE ARG 9 15.020 5.802 1.936 72 HH11 ARG 9 1HH1 ARG 9 15.521 4.930 -1.474 73 HH12 ARG 9 2HH1 ARG 9 17.116 5.498 -1.515 74 HH21 ARG 9 1HH2 ARG 9 17.247 6.629 1.814 75 HH22 ARG 9 2HH2 ARG 9 18.097 6.484 0.356 76 H GLY 10 H GLY 10 11.278 0.520 -1.226 77 HA2 GLY 10 2HA GLY 10 12.586 -1.435 -1.258 78 HA3 GLY 10 1HA GLY 10 13.541 -0.726 0.039 79 H VAL 11 H VAL 11 10.232 -0.376 0.615 80 HA VAL 11 HA VAL 11 10.063 -2.945 1.942 81 HB VAL 11 HB VAL 11 10.699 -1.298 3.684 82 HG11 VAL 11 1HG1 VAL 11 8.170 0.154 2.990 83 HG12 VAL 11 2HG1 VAL 11 9.818 0.722 2.726 84 HG13 VAL 11 3HG1 VAL 11 9.215 0.493 4.373 85 HG21 VAL 11 3HG2 VAL 11 7.852 -2.263 3.968 86 HG22 VAL 11 1HG2 VAL 11 8.882 -1.720 5.295 87 HG23 VAL 11 2HG2 VAL 11 9.309 -3.162 4.372 88 H CYS 12 H CYS 12 7.933 -3.779 2.034 89 HA CYS 12 HA CYS 12 6.117 -2.308 0.326 90 HB2 CYS 12 2HB CYS 12 6.375 -5.314 0.611 91 HB3 CYS 12 1HB CYS 12 5.146 -4.499 -0.340 92 H ARG 13 H ARG 13 4.405 -1.672 1.168 93 HA ARG 13 HA ARG 13 3.611 -2.658 3.796 94 HB2 ARG 13 2HB ARG 13 4.308 -0.397 3.728 95 HB3 ARG 13 1HB ARG 13 3.248 -0.036 2.383 96 HG2 ARG 13 2HG ARG 13 1.282 -0.399 3.784 97 HG3 ARG 13 1HG ARG 13 2.317 -0.796 5.169 98 HD2 ARG 13 2HD ARG 13 2.124 1.830 3.695 99 HD3 ARG 13 1HD ARG 13 1.536 1.492 5.325 100 HE ARG 13 HE ARG 13 4.331 0.985 5.033 101 HH11 ARG 13 1HH1 ARG 13 1.963 3.539 5.716 102 HH12 ARG 13 2HH1 ARG 13 3.114 4.602 6.367 103 HH21 ARG 13 1HH2 ARG 13 5.903 2.462 5.951 104 HH22 ARG 13 2HH2 ARG 13 5.375 3.984 6.502 105 H CYS 14 H CYS 14 1.940 -3.989 3.653 106 HA CYS 14 HA CYS 14 0.084 -3.703 1.514 107 HB2 CYS 14 2HB CYS 14 0.206 -5.705 3.766 108 HB3 CYS 14 1HB CYS 14 -1.006 -5.691 2.478 109 H VAL 15 H VAL 15 -1.713 -2.661 1.600 110 HA VAL 15 HA VAL 15 -2.667 -1.809 4.226 111 HB VAL 15 HB VAL 15 -1.177 -0.086 3.309 112 HG11 VAL 15 1HG1 VAL 15 -1.784 1.234 1.342 113 HG12 VAL 15 2HG1 VAL 15 -3.079 0.089 1.001 114 HG13 VAL 15 3HG1 VAL 15 -1.396 -0.445 0.962 115 HG21 VAL 15 3HG2 VAL 15 -4.077 0.727 3.426 116 HG22 VAL 15 1HG2 VAL 15 -2.719 1.857 3.460 117 HG23 VAL 15 2HG2 VAL 15 -2.920 0.676 4.751 118 H ABA 16 H ABU 16 -4.875 -1.407 4.346 119 HA ABA 16 HA ABU 16 -6.444 -2.462 2.123 120 HB3 ABA 16 1HB ABU 16 -7.247 -1.891 4.989 121 HB2 ABA 16 2HB ABU 16 -6.767 -3.465 4.367 122 HG1 ABA 16 3HG ABU 16 -8.694 -3.466 2.871 123 HG3 ABA 16 1HG ABU 16 -9.178 -1.890 3.497 124 HG2 ABA 16 2HG ABU 16 -9.175 -3.303 4.559 125 H ARG 17 H ARG 17 -6.757 -0.859 0.748 126 HA ARG 17 HA ARG 17 -7.738 1.654 1.841 127 HB2 ARG 17 2HB ARG 17 -5.965 1.195 -0.544 128 HB3 ARG 17 1HB ARG 17 -6.849 2.708 -0.309 129 HG2 ARG 17 2HG ARG 17 -5.798 3.025 1.829 130 HG3 ARG 17 1HG ARG 17 -4.955 1.492 1.670 131 HD2 ARG 17 2HD ARG 17 -3.603 2.322 -0.078 132 HD3 ARG 17 1HD ARG 17 -4.578 3.803 -0.237 133 HE ARG 17 HE ARG 17 -3.668 3.649 2.355 134 HH11 ARG 17 1HH1 ARG 17 -2.167 3.910 -0.849 135 HH12 ARG 17 2HH1 ARG 17 -0.867 4.861 -0.326 136 HH21 ARG 17 1HH2 ARG 17 -1.855 4.948 3.084 137 HH22 ARG 17 2HH2 ARG 17 -0.691 5.477 1.958 138 H ARG 18 H ARG 18 -9.623 2.199 1.486 139 HA ARG 18 HA ARG 18 -11.771 2.129 0.938 140 HB2 ARG 18 2HB ARG 18 -10.749 3.245 -1.135 141 HB3 ARG 18 1HB ARG 18 -10.888 1.650 -1.874 142 HG2 ARG 18 2HG ARG 18 -13.299 1.684 -1.593 143 HG3 ARG 18 1HG ARG 18 -13.203 3.240 -0.778 144 HD2 ARG 18 2HD ARG 18 -12.300 4.238 -2.836 145 HD3 ARG 18 1HD ARG 18 -12.442 2.676 -3.646 146 HE ARG 18 HE ARG 18 -14.888 3.411 -2.500 147 HH11 ARG 18 1HH1 ARG 18 -12.861 4.094 -5.307 148 HH12 ARG 18 2HH1 ARG 18 -14.117 4.756 -6.249 149 HH21 ARG 18 1HH2 ARG 18 -16.634 4.319 -3.792 150 HH22 ARG 18 2HH2 ARG 18 -16.316 4.857 -5.373 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -10.436 0.128 1.290 2 HA2 GLY 1 2HA GLY 1 -11.514 -1.686 2.232 3 HA3 GLY 1 1HA GLY 1 -12.510 -1.790 0.792 4 H VAL 2 H VAL 2 -9.552 -1.676 -0.490 5 HA VAL 2 HA VAL 2 -9.462 -4.600 -0.686 6 HB VAL 2 HB VAL 2 -8.284 -2.571 -2.610 7 HG11 VAL 2 1HG1 VAL 2 -8.256 -4.423 -4.201 8 HG12 VAL 2 2HG1 VAL 2 -8.905 -5.492 -2.959 9 HG13 VAL 2 3HG1 VAL 2 -7.301 -4.780 -2.761 10 HG21 VAL 2 3HG2 VAL 2 -10.224 -2.970 -4.068 11 HG22 VAL 2 1HG2 VAL 2 -10.699 -2.238 -2.532 12 HG23 VAL 2 2HG2 VAL 2 -10.959 -3.960 -2.804 13 H ABA 3 H ABU 3 -7.520 -5.659 -0.293 14 HA ABA 3 HA ABU 3 -5.580 -4.136 1.214 15 HB3 ABA 3 1HB ABU 3 -5.659 -7.109 0.608 16 HB2 ABA 3 2HB ABU 3 -6.377 -6.354 2.024 17 HG1 ABA 3 3HG ABU 3 -4.253 -7.395 2.574 18 HG3 ABA 3 1HG ABU 3 -4.156 -5.644 2.781 19 HG2 ABA 3 2HG ABU 3 -3.443 -6.410 1.359 20 H ARG 4 H ARG 4 -4.804 -2.869 -0.460 21 HA ARG 4 HA ARG 4 -3.277 -4.195 -2.571 22 HB2 ARG 4 2HB ARG 4 -3.699 -1.229 -2.098 23 HB3 ARG 4 1HB ARG 4 -2.948 -1.958 -3.509 24 HG2 ARG 4 2HG ARG 4 -5.837 -2.195 -2.679 25 HG3 ARG 4 1HG ARG 4 -5.197 -1.260 -4.027 26 HD2 ARG 4 2HD ARG 4 -5.009 -4.262 -3.755 27 HD3 ARG 4 1HD ARG 4 -6.214 -3.416 -4.712 28 HE ARG 4 HE ARG 4 -3.810 -2.518 -5.648 29 HH11 ARG 4 1HH1 ARG 4 -5.226 -5.745 -5.252 30 HH12 ARG 4 2HH1 ARG 4 -4.547 -6.363 -6.681 31 HH21 ARG 4 1HH2 ARG 4 -2.887 -3.397 -7.630 32 HH22 ARG 4 2HH2 ARG 4 -3.233 -5.011 -8.059 33 H CYS 5 H CYS 5 -1.027 -3.928 -2.730 34 HA CYS 5 HA CYS 5 0.042 -3.048 -0.199 35 HB2 CYS 5 2HB CYS 5 1.462 -4.834 -2.143 36 HB3 CYS 5 1HB CYS 5 1.892 -4.526 -0.480 37 H VAL 6 H VAL 6 1.411 -1.592 -0.100 38 HA VAL 6 HA VAL 6 2.198 -0.225 -2.575 39 HB VAL 6 HB VAL 6 0.629 1.085 -1.178 40 HG11 VAL 6 1HG1 VAL 6 2.755 1.024 0.944 41 HG12 VAL 6 2HG1 VAL 6 1.161 0.273 1.021 42 HG13 VAL 6 3HG1 VAL 6 1.305 2.031 0.974 43 HG21 VAL 6 3HG2 VAL 6 1.889 3.179 -1.090 44 HG22 VAL 6 1HG2 VAL 6 2.202 2.288 -2.578 45 HG23 VAL 6 2HG2 VAL 6 3.394 2.279 -1.279 46 H CYS 7 H CYS 7 4.349 0.276 -2.851 47 HA CYS 7 HA CYS 7 6.134 -0.576 -0.693 48 HB2 CYS 7 2HB CYS 7 6.619 -0.875 -3.648 49 HB3 CYS 7 1HB CYS 7 7.743 -1.305 -2.381 50 H ARG 8 H ARG 8 7.706 0.652 -0.169 51 HA ARG 8 HA ARG 8 8.385 2.935 -1.836 52 HB2 ARG 8 2HB ARG 8 8.367 4.477 0.142 53 HB3 ARG 8 1HB ARG 8 6.770 3.918 -0.321 54 HG2 ARG 8 2HG ARG 8 6.794 2.309 1.512 55 HG3 ARG 8 1HG ARG 8 8.407 2.856 1.972 56 HD2 ARG 8 2HD ARG 8 6.779 3.903 3.407 57 HD3 ARG 8 1HD ARG 8 7.478 5.119 2.342 58 HE ARG 8 HE ARG 8 5.259 4.400 1.011 59 HH11 ARG 8 1HH1 ARG 8 5.830 5.545 4.300 60 HH12 ARG 8 2HH1 ARG 8 4.267 6.161 4.542 61 HH21 ARG 8 1HH2 ARG 8 3.097 5.282 1.299 62 HH22 ARG 8 2HH2 ARG 8 2.660 6.006 2.779 63 H ARG 9 H ARG 9 10.432 3.021 -2.117 64 HA ARG 9 HA ARG 9 12.601 2.631 -2.065 65 HB2 ARG 9 2HB ARG 9 12.398 4.060 0.004 66 HB3 ARG 9 1HB ARG 9 12.363 2.556 0.917 67 HG2 ARG 9 2HG ARG 9 14.602 3.550 0.984 68 HG3 ARG 9 1HG ARG 9 14.611 2.007 0.130 69 HD2 ARG 9 2HD ARG 9 14.489 3.250 -2.016 70 HD3 ARG 9 1HD ARG 9 14.614 4.756 -1.104 71 HE ARG 9 HE ARG 9 16.693 2.859 -0.584 72 HH11 ARG 9 1HH1 ARG 9 15.718 5.620 -2.621 73 HH12 ARG 9 2HH1 ARG 9 17.306 5.917 -3.131 74 HH21 ARG 9 1HH2 ARG 9 18.859 3.341 -1.351 75 HH22 ARG 9 2HH2 ARG 9 19.072 4.646 -2.426 76 H GLY 10 H GLY 10 10.651 0.342 -1.809 77 HA2 GLY 10 2HA GLY 10 11.160 -1.907 -2.264 78 HA3 GLY 10 1HA GLY 10 12.672 -1.673 -1.394 79 H VAL 11 H VAL 11 10.455 -0.248 0.499 80 HA VAL 11 HA VAL 11 10.053 -2.683 2.064 81 HB VAL 11 HB VAL 11 9.661 0.212 2.925 82 HG11 VAL 11 1HG1 VAL 11 9.844 -2.315 4.570 83 HG12 VAL 11 2HG1 VAL 11 8.365 -1.423 4.218 84 HG13 VAL 11 3HG1 VAL 11 9.628 -0.681 5.202 85 HG21 VAL 11 3HG2 VAL 11 11.775 -0.037 4.168 86 HG22 VAL 11 1HG2 VAL 11 12.004 -0.164 2.423 87 HG23 VAL 11 2HG2 VAL 11 12.003 -1.619 3.424 88 H CYS 12 H CYS 12 8.025 -3.482 2.163 89 HA CYS 12 HA CYS 12 6.044 -1.904 0.754 90 HB2 CYS 12 2HB CYS 12 6.372 -4.904 0.807 91 HB3 CYS 12 1HB CYS 12 5.086 -4.032 -0.018 92 H ARG 13 H ARG 13 3.942 -2.045 1.443 93 HA ARG 13 HA ARG 13 3.376 -3.480 3.883 94 HB2 ARG 13 2HB ARG 13 3.966 -1.337 4.685 95 HB3 ARG 13 1HB ARG 13 3.029 -0.528 3.439 96 HG2 ARG 13 2HG ARG 13 0.964 -1.299 4.391 97 HG3 ARG 13 1HG ARG 13 1.819 -2.253 5.605 98 HD2 ARG 13 2HD ARG 13 2.689 -0.198 6.578 99 HD3 ARG 13 1HD ARG 13 1.893 0.745 5.313 100 HE ARG 13 HE ARG 13 0.069 -0.938 6.662 101 HH11 ARG 13 1HH1 ARG 13 1.839 2.049 7.136 102 HH12 ARG 13 2HH1 ARG 13 0.625 2.814 8.049 103 HH21 ARG 13 1HH2 ARG 13 -1.615 0.053 7.893 104 HH22 ARG 13 2HH2 ARG 13 -1.387 1.622 8.522 105 H CYS 14 H CYS 14 1.472 -4.441 3.784 106 HA CYS 14 HA CYS 14 -0.198 -3.751 1.536 107 HB2 CYS 14 2HB CYS 14 -0.377 -6.147 3.360 108 HB3 CYS 14 1HB CYS 14 -1.392 -5.797 1.960 109 H VAL 15 H VAL 15 -1.771 -2.562 1.737 110 HA VAL 15 HA VAL 15 -2.913 -2.205 4.415 111 HB VAL 15 HB VAL 15 -1.333 -0.399 4.057 112 HG11 VAL 15 1HG1 VAL 15 -1.605 1.281 2.292 113 HG12 VAL 15 2HG1 VAL 15 -2.871 0.284 1.574 114 HG13 VAL 15 3HG1 VAL 15 -1.223 -0.324 1.670 115 HG21 VAL 15 3HG2 VAL 15 -2.831 1.574 4.348 116 HG22 VAL 15 1HG2 VAL 15 -3.265 0.195 5.360 117 HG23 VAL 15 2HG2 VAL 15 -4.197 0.546 3.909 118 H ABA 16 H ABU 16 -5.059 -1.992 4.566 119 HA ABA 16 HA ABU 16 -6.574 -2.657 2.219 120 HB3 ABA 16 1HB ABU 16 -8.502 -2.757 3.787 121 HB2 ABA 16 2HB ABU 16 -7.435 -2.198 5.074 122 HG1 ABA 16 3HG ABU 16 -7.124 -4.772 3.546 123 HG3 ABA 16 1HG ABU 16 -7.767 -4.606 5.179 124 HG2 ABA 16 2HG ABU 16 -6.082 -4.207 4.851 125 H ARG 17 H ARG 17 -6.417 -0.969 0.963 126 HA ARG 17 HA ARG 17 -7.677 1.526 1.829 127 HB2 ARG 17 2HB ARG 17 -5.528 1.010 -0.210 128 HB3 ARG 17 1HB ARG 17 -6.431 2.520 -0.157 129 HG2 ARG 17 2HG ARG 17 -5.676 2.867 2.155 130 HG3 ARG 17 1HG ARG 17 -4.738 1.384 2.050 131 HD2 ARG 17 2HD ARG 17 -3.256 2.274 0.524 132 HD3 ARG 17 1HD ARG 17 -4.327 3.619 0.084 133 HE ARG 17 HE ARG 17 -2.607 3.355 2.414 134 HH11 ARG 17 1HH1 ARG 17 -5.075 5.261 0.722 135 HH12 ARG 17 2HH1 ARG 17 -4.790 6.688 1.577 136 HH21 ARG 17 1HH2 ARG 17 -2.229 5.282 3.615 137 HH22 ARG 17 2HH2 ARG 17 -3.124 6.699 3.306 138 H ARG 18 H ARG 18 -9.398 2.236 0.749 139 HA ARG 18 HA ARG 18 -11.236 2.189 -0.510 140 HB2 ARG 18 2HB ARG 18 -9.609 2.464 -2.423 141 HB3 ARG 18 1HB ARG 18 -9.529 0.713 -2.487 142 HG2 ARG 18 2HG ARG 18 -10.913 1.592 -4.303 143 HG3 ARG 18 1HG ARG 18 -11.868 0.621 -3.192 144 HD2 ARG 18 2HD ARG 18 -12.646 2.652 -2.088 145 HD3 ARG 18 1HD ARG 18 -11.729 3.630 -3.243 146 HE ARG 18 HE ARG 18 -13.331 1.993 -4.744 147 HH11 ARG 18 1HH1 ARG 18 -13.898 4.513 -2.299 148 HH12 ARG 18 2HH1 ARG 18 -15.426 4.916 -2.890 149 HH21 ARG 18 1HH2 ARG 18 -15.405 2.525 -5.513 150 HH22 ARG 18 2HH2 ARG 18 -16.347 3.741 -4.767 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -10.381 -0.826 1.906 2 HA2 GLY 1 2HA GLY 1 -11.916 -2.636 2.030 3 HA3 GLY 1 1HA GLY 1 -12.555 -2.099 0.483 4 H VAL 2 H VAL 2 -9.792 -1.754 -0.594 5 HA VAL 2 HA VAL 2 -9.463 -4.570 -1.339 6 HB VAL 2 HB VAL 2 -8.415 -2.060 -2.689 7 HG11 VAL 2 1HG1 VAL 2 -7.882 -3.533 -4.576 8 HG12 VAL 2 2HG1 VAL 2 -8.405 -4.920 -3.622 9 HG13 VAL 2 3HG1 VAL 2 -6.992 -3.989 -3.120 10 HG21 VAL 2 3HG2 VAL 2 -10.846 -2.213 -2.836 11 HG22 VAL 2 1HG2 VAL 2 -10.713 -3.856 -3.463 12 HG23 VAL 2 2HG2 VAL 2 -10.105 -2.499 -4.414 13 H ABA 3 H ABU 3 -7.766 -5.640 -0.488 14 HA ABA 3 HA ABU 3 -5.816 -4.117 0.983 15 HB3 ABA 3 1HB ABU 3 -5.900 -7.113 0.521 16 HB2 ABA 3 2HB ABU 3 -6.691 -6.296 1.866 17 HG1 ABA 3 3HG ABU 3 -3.733 -6.342 1.326 18 HG3 ABA 3 1HG ABU 3 -4.579 -7.270 2.566 19 HG2 ABA 3 2HG ABU 3 -4.515 -5.508 2.659 20 H ARG 4 H ARG 4 -4.533 -3.054 -0.276 21 HA ARG 4 HA ARG 4 -3.175 -4.454 -2.469 22 HB2 ARG 4 2HB ARG 4 -4.821 -2.700 -3.188 23 HB3 ARG 4 1HB ARG 4 -3.886 -1.513 -2.300 24 HG2 ARG 4 2HG ARG 4 -3.447 -1.457 -4.720 25 HG3 ARG 4 1HG ARG 4 -1.998 -1.841 -3.790 26 HD2 ARG 4 2HD ARG 4 -2.277 -3.257 -5.813 27 HD3 ARG 4 1HD ARG 4 -2.208 -4.165 -4.306 28 HE ARG 4 HE ARG 4 -4.755 -3.512 -5.598 29 HH11 ARG 4 1HH1 ARG 4 -2.556 -5.957 -4.200 30 HH12 ARG 4 2HH1 ARG 4 -3.673 -7.217 -4.336 31 HH21 ARG 4 1HH2 ARG 4 -6.275 -5.310 -5.792 32 HH22 ARG 4 2HH2 ARG 4 -5.831 -6.852 -5.244 33 H CYS 5 H CYS 5 -0.924 -4.264 -2.448 34 HA CYS 5 HA CYS 5 0.045 -2.866 -0.113 35 HB2 CYS 5 2HB CYS 5 1.588 -4.857 -1.740 36 HB3 CYS 5 1HB CYS 5 1.947 -4.296 -0.123 37 H VAL 6 H VAL 6 1.402 -1.393 -0.158 38 HA VAL 6 HA VAL 6 2.053 -0.142 -2.756 39 HB VAL 6 HB VAL 6 1.886 1.128 0.006 40 HG11 VAL 6 1HG1 VAL 6 2.147 2.428 -2.696 41 HG12 VAL 6 2HG1 VAL 6 3.409 2.317 -1.467 42 HG13 VAL 6 3HG1 VAL 6 1.957 3.272 -1.161 43 HG21 VAL 6 3HG2 VAL 6 -0.102 1.257 -2.262 44 HG22 VAL 6 1HG2 VAL 6 -0.203 2.179 -0.763 45 HG23 VAL 6 2HG2 VAL 6 -0.323 0.422 -0.724 46 H CYS 7 H CYS 7 4.207 0.056 -3.248 47 HA CYS 7 HA CYS 7 6.083 -0.733 -1.119 48 HB2 CYS 7 2HB CYS 7 6.361 -1.151 -4.078 49 HB3 CYS 7 1HB CYS 7 7.525 -1.633 -2.854 50 H ARG 8 H ARG 8 7.843 0.358 -0.772 51 HA ARG 8 HA ARG 8 8.915 2.298 -2.565 52 HB2 ARG 8 2HB ARG 8 6.933 3.561 -1.664 53 HB3 ARG 8 1HB ARG 8 7.640 3.431 -0.059 54 HG2 ARG 8 2HG ARG 8 9.580 4.705 -0.793 55 HG3 ARG 8 1HG ARG 8 8.909 4.809 -2.420 56 HD2 ARG 8 2HD ARG 8 8.429 6.870 -1.336 57 HD3 ARG 8 1HD ARG 8 6.923 5.966 -1.426 58 HE ARG 8 HE ARG 8 8.521 5.792 1.002 59 HH11 ARG 8 1HH1 ARG 8 5.524 6.871 -0.557 60 HH12 ARG 8 2HH1 ARG 8 4.848 7.517 0.855 61 HH21 ARG 8 1HH2 ARG 8 7.559 6.670 2.971 62 HH22 ARG 8 2HH2 ARG 8 6.029 7.394 2.920 63 H ARG 9 H ARG 9 10.988 2.779 -2.047 64 HA ARG 9 HA ARG 9 12.998 2.707 -1.081 65 HB2 ARG 9 2HB ARG 9 11.743 4.232 0.513 66 HB3 ARG 9 1HB ARG 9 11.558 2.816 1.539 67 HG2 ARG 9 2HG ARG 9 13.383 4.189 2.358 68 HG3 ARG 9 1HG ARG 9 14.018 2.665 1.736 69 HD2 ARG 9 2HD ARG 9 15.409 4.533 1.028 70 HD3 ARG 9 1HD ARG 9 14.627 3.796 -0.364 71 HE ARG 9 HE ARG 9 13.057 5.904 0.647 72 HH11 ARG 9 1HH1 ARG 9 16.064 5.420 -1.144 73 HH12 ARG 9 2HH1 ARG 9 15.943 6.877 -2.007 74 HH21 ARG 9 1HH2 ARG 9 12.907 7.891 -0.503 75 HH22 ARG 9 2HH2 ARG 9 14.126 8.345 -1.606 76 H GLY 10 H GLY 10 11.647 0.175 -1.585 77 HA2 GLY 10 2HA GLY 10 12.586 -1.920 -1.544 78 HA3 GLY 10 1HA GLY 10 13.552 -1.416 -0.166 79 H VAL 11 H VAL 11 10.364 -0.572 0.487 80 HA VAL 11 HA VAL 11 9.852 -3.196 1.649 81 HB VAL 11 HB VAL 11 8.899 -2.171 3.675 82 HG11 VAL 11 1HG1 VAL 11 10.978 -1.440 4.762 83 HG12 VAL 11 2HG1 VAL 11 11.744 -1.337 3.179 84 HG13 VAL 11 3HG1 VAL 11 11.195 -2.896 3.791 85 HG21 VAL 11 3HG2 VAL 11 9.948 0.446 2.591 86 HG22 VAL 11 1HG2 VAL 11 9.288 0.199 4.208 87 HG23 VAL 11 2HG2 VAL 11 8.253 0.005 2.794 88 H CYS 12 H CYS 12 7.526 -3.504 2.183 89 HA CYS 12 HA CYS 12 5.896 -1.891 0.452 90 HB2 CYS 12 2HB CYS 12 5.888 -4.916 0.580 91 HB3 CYS 12 1HB CYS 12 4.685 -3.946 -0.258 92 H ARG 13 H ARG 13 4.056 -1.334 1.413 93 HA ARG 13 HA ARG 13 3.358 -2.617 3.954 94 HB2 ARG 13 2HB ARG 13 3.940 -0.384 4.371 95 HB3 ARG 13 1HB ARG 13 3.074 0.206 2.965 96 HG2 ARG 13 2HG ARG 13 0.967 -0.087 4.009 97 HG3 ARG 13 1HG ARG 13 1.647 -1.042 5.327 98 HD2 ARG 13 2HD ARG 13 1.121 1.236 6.038 99 HD3 ARG 13 1HD ARG 13 2.862 0.945 6.107 100 HE ARG 13 HE ARG 13 1.806 2.201 3.711 101 HH11 ARG 13 1HH1 ARG 13 3.455 2.662 6.832 102 HH12 ARG 13 2HH1 ARG 13 4.026 4.212 6.418 103 HH21 ARG 13 1HH2 ARG 13 2.677 4.306 3.173 104 HH22 ARG 13 2HH2 ARG 13 3.631 5.126 4.326 105 H CYS 14 H CYS 14 1.516 -3.728 3.984 106 HA CYS 14 HA CYS 14 -0.163 -3.427 1.692 107 HB2 CYS 14 2HB CYS 14 -0.272 -5.487 3.887 108 HB3 CYS 14 1HB CYS 14 -1.334 -5.420 2.472 109 H VAL 15 H VAL 15 -1.841 -2.335 1.602 110 HA VAL 15 HA VAL 15 -2.841 -1.089 4.068 111 HB VAL 15 HB VAL 15 -2.910 -0.059 1.222 112 HG11 VAL 15 1HG1 VAL 15 -4.719 0.816 2.614 113 HG12 VAL 15 2HG1 VAL 15 -3.570 2.068 2.154 114 HG13 VAL 15 3HG1 VAL 15 -3.532 1.397 3.786 115 HG21 VAL 15 3HG2 VAL 15 -0.617 -0.145 2.036 116 HG22 VAL 15 1HG2 VAL 15 -1.084 0.765 3.474 117 HG23 VAL 15 2HG2 VAL 15 -1.175 1.516 1.875 118 H ABA 16 H ABU 16 -4.983 -1.222 4.475 119 HA ABA 16 HA ABU 16 -6.636 -2.648 2.597 120 HB3 ABA 16 1HB ABU 16 -7.154 -3.154 4.918 121 HB2 ABA 16 2HB ABU 16 -8.491 -2.197 4.304 122 HG1 ABA 16 3HG ABU 16 -6.293 -1.200 6.077 123 HG3 ABA 16 1HG ABU 16 -7.960 -1.521 6.542 124 HG2 ABA 16 2HG ABU 16 -7.593 -0.209 5.416 125 H ARG 17 H ARG 17 -6.505 -1.417 0.888 126 HA ARG 17 HA ARG 17 -6.737 1.438 0.917 127 HB2 ARG 17 2HB ARG 17 -5.215 -0.140 -0.501 128 HB3 ARG 17 1HB ARG 17 -6.642 -0.358 -1.490 129 HG2 ARG 17 2HG ARG 17 -5.282 1.276 -2.525 130 HG3 ARG 17 1HG ARG 17 -6.674 2.116 -1.840 131 HD2 ARG 17 2HD ARG 17 -5.363 2.883 0.030 132 HD3 ARG 17 1HD ARG 17 -3.994 1.895 -0.445 133 HE ARG 17 HE ARG 17 -4.470 3.471 -2.612 134 HH11 ARG 17 1HH1 ARG 17 -3.882 4.222 0.809 135 HH12 ARG 17 2HH1 ARG 17 -2.931 5.580 0.468 136 HH21 ARG 17 1HH2 ARG 17 -3.213 5.402 -3.039 137 HH22 ARG 17 2HH2 ARG 17 -2.563 6.266 -1.711 138 H ARG 18 H ARG 18 -8.836 1.514 1.722 139 HA ARG 18 HA ARG 18 -11.083 1.744 1.691 140 HB2 ARG 18 2HB ARG 18 -10.300 3.242 -0.240 141 HB3 ARG 18 1HB ARG 18 -10.868 1.930 -1.268 142 HG2 ARG 18 2HG ARG 18 -13.109 2.158 -0.360 143 HG3 ARG 18 1HG ARG 18 -12.560 3.466 0.688 144 HD2 ARG 18 2HD ARG 18 -11.887 4.706 -1.376 145 HD3 ARG 18 1HD ARG 18 -12.673 3.436 -2.313 146 HE ARG 18 HE ARG 18 -14.340 4.552 -0.296 147 HH11 ARG 18 1HH1 ARG 18 -13.273 4.889 -3.654 148 HH12 ARG 18 2HH1 ARG 18 -14.547 5.923 -4.095 149 HH21 ARG 18 1HH2 ARG 18 -16.092 6.017 -0.921 150 HH22 ARG 18 2HH2 ARG 18 -16.160 6.603 -2.504 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -11.181 -1.200 1.929 2 HA2 GLY 1 2HA GLY 1 -11.833 -3.416 2.216 3 HA3 GLY 1 1HA GLY 1 -12.764 -3.290 0.733 4 H VAL 2 H VAL 2 -10.116 -2.100 -0.587 5 HA VAL 2 HA VAL 2 -9.213 -4.751 -1.183 6 HB VAL 2 HB VAL 2 -8.112 -3.734 -3.145 7 HG11 VAL 2 1HG1 VAL 2 -11.077 -3.336 -2.907 8 HG12 VAL 2 2HG1 VAL 2 -10.235 -4.808 -3.414 9 HG13 VAL 2 3HG1 VAL 2 -10.196 -3.369 -4.434 10 HG21 VAL 2 3HG2 VAL 2 -7.925 -1.421 -2.381 11 HG22 VAL 2 1HG2 VAL 2 -9.674 -1.260 -2.433 12 HG23 VAL 2 2HG2 VAL 2 -8.776 -1.508 -3.928 13 H ABA 3 H ABU 3 -7.227 -5.440 -0.890 14 HA ABA 3 HA ABU 3 -5.559 -3.826 0.789 15 HB3 ABA 3 1HB ABU 3 -5.717 -6.104 1.500 16 HB2 ABA 3 2HB ABU 3 -4.083 -5.873 0.911 17 HG1 ABA 3 3HG ABU 3 -4.927 -8.023 0.214 18 HG3 ABA 3 1HG ABU 3 -4.668 -6.986 -1.186 19 HG2 ABA 3 2HG ABU 3 -6.301 -7.258 -0.579 20 H ARG 4 H ARG 4 -4.925 -2.225 -0.458 21 HA ARG 4 HA ARG 4 -3.466 -2.708 -2.903 22 HB2 ARG 4 2HB ARG 4 -4.103 -0.191 -1.344 23 HB3 ARG 4 1HB ARG 4 -3.129 -0.196 -2.806 24 HG2 ARG 4 2HG ARG 4 -4.990 -1.010 -4.099 25 HG3 ARG 4 1HG ARG 4 -5.954 -1.196 -2.635 26 HD2 ARG 4 2HD ARG 4 -6.529 0.837 -3.939 27 HD3 ARG 4 1HD ARG 4 -5.994 1.190 -2.299 28 HE ARG 4 HE ARG 4 -3.729 1.539 -3.527 29 HH11 ARG 4 1HH1 ARG 4 -6.876 2.447 -4.903 30 HH12 ARG 4 2HH1 ARG 4 -6.296 3.859 -5.630 31 HH21 ARG 4 1HH2 ARG 4 -2.955 3.465 -4.542 32 HH22 ARG 4 2HH2 ARG 4 -4.008 4.461 -5.443 33 H CYS 5 H CYS 5 -1.427 -3.363 -2.755 34 HA CYS 5 HA CYS 5 -0.029 -2.527 -0.370 35 HB2 CYS 5 2HB CYS 5 0.840 -4.667 -2.300 36 HB3 CYS 5 1HB CYS 5 1.577 -4.297 -0.764 37 H VAL 6 H VAL 6 1.761 -1.477 -0.422 38 HA VAL 6 HA VAL 6 2.656 -0.397 -3.005 39 HB VAL 6 HB VAL 6 2.491 1.097 -0.367 40 HG11 VAL 6 1HG1 VAL 6 3.171 2.071 -3.129 41 HG12 VAL 6 2HG1 VAL 6 4.286 1.882 -1.777 42 HG13 VAL 6 3HG1 VAL 6 2.997 3.083 -1.697 43 HG21 VAL 6 3HG2 VAL 6 0.684 2.419 -1.368 44 HG22 VAL 6 1HG2 VAL 6 0.243 0.718 -1.223 45 HG23 VAL 6 2HG2 VAL 6 0.711 1.374 -2.789 46 H CYS 7 H CYS 7 4.857 -0.450 -3.236 47 HA CYS 7 HA CYS 7 6.409 -0.991 -0.832 48 HB2 CYS 7 2HB CYS 7 6.908 -2.137 -3.558 49 HB3 CYS 7 1HB CYS 7 7.950 -2.338 -2.164 50 H ARG 8 H ARG 8 8.059 0.189 -0.561 51 HA ARG 8 HA ARG 8 9.025 1.930 -2.674 52 HB2 ARG 8 2HB ARG 8 8.764 3.972 -1.240 53 HB3 ARG 8 1HB ARG 8 7.259 3.278 -1.811 54 HG2 ARG 8 2HG ARG 8 6.926 2.214 0.384 55 HG3 ARG 8 1HG ARG 8 8.419 2.962 0.955 56 HD2 ARG 8 2HD ARG 8 6.454 4.230 1.671 57 HD3 ARG 8 1HD ARG 8 7.467 5.166 0.573 58 HE ARG 8 HE ARG 8 5.708 4.117 -1.116 59 HH11 ARG 8 1HH1 ARG 8 5.167 5.779 1.963 60 HH12 ARG 8 2HH1 ARG 8 3.670 6.437 1.493 61 HH21 ARG 8 1HH2 ARG 8 3.685 5.033 -1.744 62 HH22 ARG 8 2HH2 ARG 8 2.788 5.986 -0.655 63 H ARG 9 H ARG 9 11.131 2.134 -2.587 64 HA ARG 9 HA ARG 9 13.289 2.059 -1.951 65 HB2 ARG 9 2HB ARG 9 12.428 3.924 -0.434 66 HB3 ARG 9 1HB ARG 9 12.332 2.693 0.814 67 HG2 ARG 9 2HG ARG 9 14.748 2.324 0.640 68 HG3 ARG 9 1HG ARG 9 14.845 3.585 -0.588 69 HD2 ARG 9 2HD ARG 9 13.986 5.204 1.084 70 HD3 ARG 9 1HD ARG 9 13.987 3.907 2.277 71 HE ARG 9 HE ARG 9 16.437 4.716 0.889 72 HH11 ARG 9 1HH1 ARG 9 14.669 4.239 3.913 73 HH12 ARG 9 2HH1 ARG 9 16.015 4.379 4.930 74 HH21 ARG 9 1HH2 ARG 9 18.317 4.950 2.270 75 HH22 ARG 9 2HH2 ARG 9 18.164 4.809 3.957 76 H GLY 10 H GLY 10 11.657 -0.356 -1.786 77 HA2 GLY 10 2HA GLY 10 12.295 -2.556 -1.404 78 HA3 GLY 10 1HA GLY 10 13.552 -1.949 -0.346 79 H VAL 11 H VAL 11 10.703 -0.471 0.560 80 HA VAL 11 HA VAL 11 10.229 -2.496 2.635 81 HB VAL 11 HB VAL 11 9.575 0.478 2.696 82 HG11 VAL 11 1HG1 VAL 11 9.198 0.140 5.103 83 HG12 VAL 11 2HG1 VAL 11 9.480 -1.586 4.896 84 HG13 VAL 11 3HG1 VAL 11 8.098 -0.818 4.115 85 HG21 VAL 11 3HG2 VAL 11 11.847 -0.979 4.038 86 HG22 VAL 11 1HG2 VAL 11 11.432 0.718 4.289 87 HG23 VAL 11 2HG2 VAL 11 11.990 0.168 2.706 88 H CYS 12 H CYS 12 8.090 -3.237 2.827 89 HA CYS 12 HA CYS 12 6.314 -2.112 0.817 90 HB2 CYS 12 2HB CYS 12 6.549 -4.983 1.711 91 HB3 CYS 12 1HB CYS 12 5.206 -4.372 0.759 92 H ARG 13 H ARG 13 4.153 -1.867 1.346 93 HA ARG 13 HA ARG 13 3.291 -2.529 4.036 94 HB2 ARG 13 2HB ARG 13 4.127 -0.271 4.236 95 HB3 ARG 13 1HB ARG 13 3.261 0.233 2.803 96 HG2 ARG 13 2HG ARG 13 2.214 1.045 4.895 97 HG3 ARG 13 1HG ARG 13 1.131 0.026 3.957 98 HD2 ARG 13 2HD ARG 13 1.067 -0.450 6.394 99 HD3 ARG 13 1HD ARG 13 1.523 -1.842 5.417 100 HE ARG 13 HE ARG 13 3.844 -0.514 6.255 101 HH11 ARG 13 1HH1 ARG 13 1.205 -2.307 7.789 102 HH12 ARG 13 2HH1 ARG 13 2.223 -3.094 8.910 103 HH21 ARG 13 1HH2 ARG 13 5.199 -1.567 7.828 104 HH22 ARG 13 2HH2 ARG 13 4.519 -2.621 8.971 105 H CYS 14 H CYS 14 1.469 -3.648 3.762 106 HA CYS 14 HA CYS 14 -0.154 -3.061 1.464 107 HB2 CYS 14 2HB CYS 14 -0.364 -5.281 3.500 108 HB3 CYS 14 1HB CYS 14 -1.543 -4.956 2.220 109 H VAL 15 H VAL 15 -1.742 -1.777 1.492 110 HA VAL 15 HA VAL 15 -2.900 -1.214 4.097 111 HB VAL 15 HB VAL 15 -1.572 0.698 3.442 112 HG11 VAL 15 1HG1 VAL 15 -2.082 2.092 1.506 113 HG12 VAL 15 2HG1 VAL 15 -3.258 0.892 0.963 114 HG13 VAL 15 3HG1 VAL 15 -1.548 0.476 1.043 115 HG21 VAL 15 3HG2 VAL 15 -3.313 2.469 3.555 116 HG22 VAL 15 1HG2 VAL 15 -3.525 1.174 4.733 117 HG23 VAL 15 2HG2 VAL 15 -4.530 1.219 3.292 118 H ABA 16 H ABU 16 -4.894 -1.744 4.333 119 HA ABA 16 HA ABU 16 -6.507 -2.464 2.070 120 HB3 ABA 16 1HB ABU 16 -7.202 -2.382 5.022 121 HB2 ABA 16 2HB ABU 16 -6.574 -3.787 4.173 122 HG1 ABA 16 3HG ABU 16 -8.577 -3.853 2.780 123 HG3 ABA 16 1HG ABU 16 -9.220 -2.453 3.636 124 HG2 ABA 16 2HG ABU 16 -8.973 -3.977 4.492 125 H ARG 17 H ARG 17 -7.431 -0.963 0.942 126 HA ARG 17 HA ARG 17 -8.601 1.364 2.307 127 HB2 ARG 17 2HB ARG 17 -7.219 1.316 -0.394 128 HB3 ARG 17 1HB ARG 17 -7.983 2.715 0.340 129 HG2 ARG 17 2HG ARG 17 -6.328 2.707 2.130 130 HG3 ARG 17 1HG ARG 17 -5.596 1.254 1.449 131 HD2 ARG 17 2HD ARG 17 -4.307 3.216 0.844 132 HD3 ARG 17 1HD ARG 17 -5.031 2.497 -0.586 133 HE ARG 17 HE ARG 17 -6.624 4.554 0.582 134 HH11 ARG 17 1HH1 ARG 17 -3.845 4.051 -1.583 135 HH12 ARG 17 2HH1 ARG 17 -4.103 5.473 -2.467 136 HH21 ARG 17 1HH2 ARG 17 -6.973 6.512 -0.647 137 HH22 ARG 17 2HH2 ARG 17 -5.964 6.868 -1.976 138 H ARG 18 H ARG 18 -10.725 1.245 2.059 139 HA ARG 18 HA ARG 18 -12.803 0.995 1.165 140 HB2 ARG 18 2HB ARG 18 -11.650 2.336 -0.701 141 HB3 ARG 18 1HB ARG 18 -11.513 0.778 -1.511 142 HG2 ARG 18 2HG ARG 18 -13.975 0.589 -1.481 143 HG3 ARG 18 1HG ARG 18 -14.063 2.198 -0.758 144 HD2 ARG 18 2HD ARG 18 -13.016 1.458 -3.488 145 HD3 ARG 18 1HD ARG 18 -14.426 2.442 -3.093 146 HE ARG 18 HE ARG 18 -11.811 3.375 -2.209 147 HH11 ARG 18 1HH1 ARG 18 -14.513 3.792 -4.454 148 HH12 ARG 18 2HH1 ARG 18 -13.998 5.315 -5.005 149 HH21 ARG 18 1HH2 ARG 18 -11.063 5.370 -3.001 150 HH22 ARG 18 2HH2 ARG 18 -11.907 6.232 -4.199 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -9.923 0.637 1.597 2 HA2 GLY 1 2HA GLY 1 -11.201 -1.044 2.537 3 HA3 GLY 1 1HA GLY 1 -12.246 -0.973 1.127 4 H VAL 2 H VAL 2 -9.406 -1.217 -0.378 5 HA VAL 2 HA VAL 2 -9.610 -4.116 -0.268 6 HB VAL 2 HB VAL 2 -10.216 -3.193 -2.472 7 HG11 VAL 2 1HG1 VAL 2 -8.571 -2.152 -3.949 8 HG12 VAL 2 2HG1 VAL 2 -7.415 -2.113 -2.620 9 HG13 VAL 2 3HG1 VAL 2 -8.904 -1.174 -2.521 10 HG21 VAL 2 3HG2 VAL 2 -7.631 -4.736 -2.517 11 HG22 VAL 2 1HG2 VAL 2 -8.729 -4.553 -3.886 12 HG23 VAL 2 2HG2 VAL 2 -9.259 -5.405 -2.433 13 H ABA 3 H ABU 3 -7.938 -5.303 0.306 14 HA ABA 3 HA ABU 3 -5.592 -4.058 1.343 15 HB3 ABA 3 1HB ABU 3 -6.135 -7.007 0.874 16 HB2 ABA 3 2HB ABU 3 -6.538 -6.120 2.338 17 HG1 ABA 3 3HG ABU 3 -4.187 -5.700 2.766 18 HG3 ABA 3 1HG ABU 3 -3.755 -6.554 1.286 19 HG2 ABA 3 2HG ABU 3 -4.507 -7.427 2.621 20 H ARG 4 H ARG 4 -4.491 -3.069 -0.121 21 HA ARG 4 HA ARG 4 -3.579 -4.514 -2.497 22 HB2 ARG 4 2HB ARG 4 -4.874 -2.456 -2.915 23 HB3 ARG 4 1HB ARG 4 -3.761 -1.553 -1.902 24 HG2 ARG 4 2HG ARG 4 -1.959 -2.013 -3.480 25 HG3 ARG 4 1HG ARG 4 -3.088 -2.915 -4.493 26 HD2 ARG 4 2HD ARG 4 -3.313 0.006 -3.769 27 HD3 ARG 4 1HD ARG 4 -2.767 -0.626 -5.317 28 HE ARG 4 HE ARG 4 -5.179 -1.755 -5.072 29 HH11 ARG 4 1HH1 ARG 4 -4.104 1.620 -4.817 30 HH12 ARG 4 2HH1 ARG 4 -5.606 2.269 -5.310 31 HH21 ARG 4 1HH2 ARG 4 -7.241 -0.800 -5.770 32 HH22 ARG 4 2HH2 ARG 4 -7.382 0.897 -5.838 33 H CYS 5 H CYS 5 -1.382 -4.918 -2.566 34 HA CYS 5 HA CYS 5 0.057 -3.769 -0.351 35 HB2 CYS 5 2HB CYS 5 1.089 -5.883 -2.227 36 HB3 CYS 5 1HB CYS 5 1.741 -5.459 -0.665 37 H VAL 6 H VAL 6 1.680 -2.535 -0.530 38 HA VAL 6 HA VAL 6 2.286 -1.472 -3.220 39 HB VAL 6 HB VAL 6 1.973 0.195 -0.704 40 HG11 VAL 6 1HG1 VAL 6 2.154 2.140 -2.181 41 HG12 VAL 6 2HG1 VAL 6 2.442 1.064 -3.548 42 HG13 VAL 6 3HG1 VAL 6 3.608 1.137 -2.226 43 HG21 VAL 6 3HG2 VAL 6 -0.212 -0.579 -1.457 44 HG22 VAL 6 1HG2 VAL 6 0.120 0.001 -3.087 45 HG23 VAL 6 2HG2 VAL 6 -0.043 1.146 -1.757 46 H CYS 7 H CYS 7 4.419 -1.279 -3.628 47 HA CYS 7 HA CYS 7 6.245 -1.433 -1.348 48 HB2 CYS 7 2HB CYS 7 6.879 -1.829 -4.257 49 HB3 CYS 7 1HB CYS 7 7.985 -2.020 -2.908 50 H ARG 8 H ARG 8 7.396 0.127 -0.832 51 HA ARG 8 HA ARG 8 7.991 2.405 -2.420 52 HB2 ARG 8 2HB ARG 8 5.588 2.806 -2.178 53 HB3 ARG 8 1HB ARG 8 5.702 2.591 -0.446 54 HG2 ARG 8 2HG ARG 8 6.760 4.677 -0.156 55 HG3 ARG 8 1HG ARG 8 7.125 4.813 -1.880 56 HD2 ARG 8 2HD ARG 8 4.341 4.767 -0.717 57 HD3 ARG 8 1HD ARG 8 5.205 6.234 -1.191 58 HE ARG 8 HE ARG 8 5.300 4.530 -3.340 59 HH11 ARG 8 1HH1 ARG 8 2.678 6.153 -1.586 60 HH12 ARG 8 2HH1 ARG 8 1.690 6.328 -2.946 61 HH21 ARG 8 1HH2 ARG 8 3.973 4.746 -5.188 62 HH22 ARG 8 2HH2 ARG 8 2.459 5.527 -5.084 63 H ARG 9 H ARG 9 9.382 3.816 -1.267 64 HA ARG 9 HA ARG 9 10.896 4.453 0.293 65 HB2 ARG 9 2HB ARG 9 8.829 4.693 1.697 66 HB3 ARG 9 1HB ARG 9 9.086 3.047 2.222 67 HG2 ARG 9 2HG ARG 9 9.736 4.683 3.947 68 HG3 ARG 9 1HG ARG 9 11.101 3.703 3.423 69 HD2 ARG 9 2HD ARG 9 10.540 6.400 2.241 70 HD3 ARG 9 1HD ARG 9 11.448 6.231 3.743 71 HE ARG 9 HE ARG 9 12.871 4.662 2.286 72 HH11 ARG 9 1HH1 ARG 9 11.397 7.668 1.160 73 HH12 ARG 9 2HH1 ARG 9 12.618 8.028 0.042 74 HH21 ARG 9 1HH2 ARG 9 14.568 5.150 0.801 75 HH22 ARG 9 2HH2 ARG 9 14.505 6.544 -0.179 76 H GLY 10 H GLY 10 10.768 1.700 -0.956 77 HA2 GLY 10 2HA GLY 10 12.524 0.206 -1.185 78 HA3 GLY 10 1HA GLY 10 13.073 0.683 0.415 79 H VAL 11 H VAL 11 9.857 0.127 0.846 80 HA VAL 11 HA VAL 11 10.323 -2.712 1.363 81 HB VAL 11 HB VAL 11 9.085 -2.514 3.507 82 HG11 VAL 11 1HG1 VAL 11 10.905 -1.509 4.822 83 HG12 VAL 11 2HG1 VAL 11 11.561 -0.807 3.342 84 HG13 VAL 11 3HG1 VAL 11 11.511 -2.560 3.539 85 HG21 VAL 11 3HG2 VAL 11 7.849 -0.458 3.039 86 HG22 VAL 11 1HG2 VAL 11 9.348 0.465 3.068 87 HG23 VAL 11 2HG2 VAL 11 8.757 -0.308 4.543 88 H CYS 12 H CYS 12 8.156 -3.799 1.912 89 HA CYS 12 HA CYS 12 6.125 -2.585 0.227 90 HB2 CYS 12 2HB CYS 12 6.760 -5.535 0.496 91 HB3 CYS 12 1HB CYS 12 5.483 -4.845 -0.496 92 H ARG 13 H ARG 13 4.133 -2.527 1.042 93 HA ARG 13 HA ARG 13 3.627 -3.922 3.568 94 HB2 ARG 13 2HB ARG 13 4.176 -1.640 4.170 95 HB3 ARG 13 1HB ARG 13 3.065 -1.014 2.958 96 HG2 ARG 13 2HG ARG 13 1.185 -1.988 4.181 97 HG3 ARG 13 1HG ARG 13 2.293 -2.594 5.409 98 HD2 ARG 13 2HD ARG 13 2.956 -0.313 5.911 99 HD3 ARG 13 1HD ARG 13 1.830 0.299 4.691 100 HE ARG 13 HE ARG 13 0.699 -1.411 6.713 101 HH11 ARG 13 1HH1 ARG 13 1.465 1.970 5.957 102 HH12 ARG 13 2HH1 ARG 13 0.214 2.611 6.905 103 HH21 ARG 13 1HH2 ARG 13 -1.022 -0.502 8.019 104 HH22 ARG 13 2HH2 ARG 13 -1.232 1.178 8.105 105 H CYS 14 H CYS 14 1.680 -4.877 3.621 106 HA CYS 14 HA CYS 14 -0.080 -4.308 1.444 107 HB2 CYS 14 2HB CYS 14 -0.243 -6.465 3.548 108 HB3 CYS 14 1HB CYS 14 -1.396 -6.201 2.224 109 H VAL 15 H VAL 15 -1.609 -3.006 1.580 110 HA VAL 15 HA VAL 15 -2.603 -2.252 4.232 111 HB VAL 15 HB VAL 15 -0.855 -0.686 3.734 112 HG11 VAL 15 1HG1 VAL 15 -2.226 -0.154 1.115 113 HG12 VAL 15 2HG1 VAL 15 -0.641 -0.887 1.372 114 HG13 VAL 15 3HG1 VAL 15 -0.901 0.810 1.769 115 HG21 VAL 15 3HG2 VAL 15 -2.763 0.280 4.859 116 HG22 VAL 15 1HG2 VAL 15 -3.549 0.607 3.311 117 HG23 VAL 15 2HG2 VAL 15 -2.072 1.461 3.747 118 H ABA 16 H ABU 16 -4.727 -1.789 4.354 119 HA ABA 16 HA ABU 16 -6.366 -2.373 2.055 120 HB3 ABA 16 1HB ABU 16 -8.253 -2.110 3.643 121 HB2 ABA 16 2HB ABU 16 -7.110 -1.628 4.893 122 HG1 ABA 16 3HG ABU 16 -7.755 -3.935 5.177 123 HG3 ABA 16 1HG ABU 16 -6.046 -3.819 4.763 124 HG2 ABA 16 2HG ABU 16 -7.218 -4.311 3.539 125 H ARG 17 H ARG 17 -6.082 -0.759 0.667 126 HA ARG 17 HA ARG 17 -6.794 1.935 1.564 127 HB2 ARG 17 2HB ARG 17 -5.343 1.044 -0.932 128 HB3 ARG 17 1HB ARG 17 -5.798 2.707 -0.590 129 HG2 ARG 17 2HG ARG 17 -4.400 2.647 1.431 130 HG3 ARG 17 1HG ARG 17 -3.913 1.006 1.018 131 HD2 ARG 17 2HD ARG 17 -2.213 2.553 0.312 132 HD3 ARG 17 1HD ARG 17 -2.995 1.869 -1.111 133 HE ARG 17 HE ARG 17 -4.322 4.225 -0.479 134 HH11 ARG 17 1HH1 ARG 17 -1.093 3.248 -1.611 135 HH12 ARG 17 2HH1 ARG 17 -0.756 4.722 -2.371 136 HH21 ARG 17 1HH2 ARG 17 -3.808 6.308 -1.527 137 HH22 ARG 17 2HH2 ARG 17 -2.308 6.489 -2.300 138 H ARG 18 H ARG 18 -8.655 2.739 0.979 139 HA ARG 18 HA ARG 18 -10.731 2.908 0.133 140 HB2 ARG 18 2HB ARG 18 -9.450 3.354 -1.982 141 HB3 ARG 18 1HB ARG 18 -9.522 1.627 -2.288 142 HG2 ARG 18 2HG ARG 18 -11.877 1.706 -2.661 143 HG3 ARG 18 1HG ARG 18 -11.961 3.376 -2.100 144 HD2 ARG 18 2HD ARG 18 -10.423 2.465 -4.530 145 HD3 ARG 18 1HD ARG 18 -12.058 3.124 -4.583 146 HE ARG 18 HE ARG 18 -10.412 4.892 -3.191 147 HH11 ARG 18 1HH1 ARG 18 -10.814 3.722 -6.513 148 HH12 ARG 18 2HH1 ARG 18 -10.331 5.202 -7.222 149 HH21 ARG 18 1HH2 ARG 18 -9.732 6.913 -4.210 150 HH22 ARG 18 2HH2 ARG 18 -9.693 7.013 -5.911 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -10.533 0.245 1.272 2 HA2 GLY 1 2HA GLY 1 -11.414 -1.655 2.273 3 HA3 GLY 1 1HA GLY 1 -12.641 -1.653 1.013 4 H VAL 2 H VAL 2 -9.438 -1.599 -0.098 5 HA VAL 2 HA VAL 2 -9.529 -4.469 -0.696 6 HB VAL 2 HB VAL 2 -8.270 -2.232 -2.325 7 HG11 VAL 2 1HG1 VAL 2 -8.558 -5.156 -2.963 8 HG12 VAL 2 2HG1 VAL 2 -7.059 -4.321 -2.556 9 HG13 VAL 2 3HG1 VAL 2 -7.912 -3.925 -4.049 10 HG21 VAL 2 3HG2 VAL 2 -10.766 -3.832 -2.904 11 HG22 VAL 2 1HG2 VAL 2 -10.014 -2.676 -4.005 12 HG23 VAL 2 2HG2 VAL 2 -10.697 -2.124 -2.475 13 H ABA 3 H ABU 3 -7.831 -5.573 0.129 14 HA ABA 3 HA ABU 3 -5.711 -4.102 1.402 15 HB3 ABA 3 1HB ABU 3 -6.037 -7.108 1.059 16 HB2 ABA 3 2HB ABU 3 -6.651 -6.191 2.429 17 HG1 ABA 3 3HG ABU 3 -3.755 -6.491 1.680 18 HG3 ABA 3 1HG ABU 3 -4.578 -7.326 2.995 19 HG2 ABA 3 2HG ABU 3 -4.374 -5.574 3.050 20 H ARG 4 H ARG 4 -4.780 -3.080 -0.288 21 HA ARG 4 HA ARG 4 -3.453 -4.789 -2.244 22 HB2 ARG 4 2HB ARG 4 -3.340 -2.869 -3.769 23 HB3 ARG 4 1HB ARG 4 -4.997 -3.240 -3.341 24 HG2 ARG 4 2HG ARG 4 -5.043 -1.321 -1.831 25 HG3 ARG 4 1HG ARG 4 -3.350 -0.981 -2.205 26 HD2 ARG 4 2HD ARG 4 -3.971 -0.730 -4.601 27 HD3 ARG 4 1HD ARG 4 -5.657 -0.957 -4.158 28 HE ARG 4 HE ARG 4 -5.112 1.092 -2.649 29 HH11 ARG 4 1HH1 ARG 4 -4.210 0.566 -6.048 30 HH12 ARG 4 2HH1 ARG 4 -4.095 2.216 -6.423 31 HH21 ARG 4 1HH2 ARG 4 -4.954 3.424 -3.216 32 HH22 ARG 4 2HH2 ARG 4 -4.483 3.838 -4.789 33 H CYS 5 H CYS 5 -1.266 -4.353 -2.709 34 HA CYS 5 HA CYS 5 -0.062 -3.244 -0.325 35 HB2 CYS 5 2HB CYS 5 1.232 -5.149 -2.256 36 HB3 CYS 5 1HB CYS 5 1.776 -4.724 -0.643 37 H VAL 6 H VAL 6 1.516 -1.896 -0.362 38 HA VAL 6 HA VAL 6 2.147 -0.545 -2.903 39 HB VAL 6 HB VAL 6 1.962 0.756 -0.157 40 HG11 VAL 6 1HG1 VAL 6 1.940 2.877 -1.380 41 HG12 VAL 6 2HG1 VAL 6 2.119 1.990 -2.896 42 HG13 VAL 6 3HG1 VAL 6 3.404 1.941 -1.692 43 HG21 VAL 6 3HG2 VAL 6 -0.133 0.788 -2.331 44 HG22 VAL 6 1HG2 VAL 6 -0.166 1.785 -0.878 45 HG23 VAL 6 2HG2 VAL 6 -0.275 0.029 -0.747 46 H CYS 7 H CYS 7 4.329 0.364 -2.845 47 HA CYS 7 HA CYS 7 6.051 -0.697 -0.765 48 HB2 CYS 7 2HB CYS 7 6.661 -0.859 -3.723 49 HB3 CYS 7 1HB CYS 7 7.755 -1.303 -2.426 50 H ARG 8 H ARG 8 7.729 0.538 -0.222 51 HA ARG 8 HA ARG 8 8.191 3.013 -1.672 52 HB2 ARG 8 2HB ARG 8 6.343 3.515 -0.069 53 HB3 ARG 8 1HB ARG 8 7.374 2.976 1.248 54 HG2 ARG 8 2HG ARG 8 7.367 5.371 1.183 55 HG3 ARG 8 1HG ARG 8 8.961 4.791 0.688 56 HD2 ARG 8 2HD ARG 8 8.288 5.112 -1.675 57 HD3 ARG 8 1HD ARG 8 6.739 5.747 -1.121 58 HE ARG 8 HE ARG 8 8.994 7.098 0.001 59 HH11 ARG 8 1HH1 ARG 8 6.862 7.023 -2.834 60 HH12 ARG 8 2HH1 ARG 8 7.188 8.629 -3.281 61 HH21 ARG 8 1HH2 ARG 8 9.463 9.248 -0.634 62 HH22 ARG 8 2HH2 ARG 8 8.733 9.935 -2.017 63 H ARG 9 H ARG 9 10.303 3.264 -1.758 64 HA ARG 9 HA ARG 9 12.504 3.054 -1.452 65 HB2 ARG 9 2HB ARG 9 11.884 4.543 0.494 66 HB3 ARG 9 1HB ARG 9 11.856 3.078 1.471 67 HG2 ARG 9 2HG ARG 9 14.251 2.722 0.971 68 HG3 ARG 9 1HG ARG 9 14.254 4.238 0.074 69 HD2 ARG 9 2HD ARG 9 13.531 3.985 2.982 70 HD3 ARG 9 1HD ARG 9 15.138 4.400 2.404 71 HE ARG 9 HE ARG 9 13.723 6.274 1.228 72 HH11 ARG 9 1HH1 ARG 9 13.328 5.056 4.515 73 HH12 ARG 9 2HH1 ARG 9 13.034 6.594 5.203 74 HH21 ARG 9 1HH2 ARG 9 13.325 8.393 2.184 75 HH22 ARG 9 2HH2 ARG 9 13.062 8.534 3.869 76 H GLY 10 H GLY 10 11.127 0.652 -1.830 77 HA2 GLY 10 2HA GLY 10 11.902 -1.511 -2.076 78 HA3 GLY 10 1HA GLY 10 13.149 -1.142 -0.896 79 H VAL 11 H VAL 11 10.513 -0.123 0.668 80 HA VAL 11 HA VAL 11 10.202 -2.725 1.979 81 HB VAL 11 HB VAL 11 9.464 0.039 3.005 82 HG11 VAL 11 1HG1 VAL 11 9.202 -1.055 5.186 83 HG12 VAL 11 2HG1 VAL 11 9.548 -2.615 4.446 84 HG13 VAL 11 3HG1 VAL 11 8.093 -1.732 3.991 85 HG21 VAL 11 3HG2 VAL 11 11.872 -0.200 2.804 86 HG22 VAL 11 1HG2 VAL 11 11.820 -1.698 3.735 87 HG23 VAL 11 2HG2 VAL 11 11.386 -0.169 4.501 88 H CYS 12 H CYS 12 8.253 -3.718 1.868 89 HA CYS 12 HA CYS 12 6.253 -2.203 0.442 90 HB2 CYS 12 2HB CYS 12 6.766 -5.174 0.434 91 HB3 CYS 12 1HB CYS 12 5.360 -4.410 -0.316 92 H ARG 13 H ARG 13 4.107 -2.363 1.059 93 HA ARG 13 HA ARG 13 3.613 -3.536 3.652 94 HB2 ARG 13 2HB ARG 13 2.726 -1.407 4.513 95 HB3 ARG 13 1HB ARG 13 4.416 -1.292 3.994 96 HG2 ARG 13 2HG ARG 13 3.818 -0.103 2.025 97 HG3 ARG 13 1HG ARG 13 2.098 -0.307 2.363 98 HD2 ARG 13 2HD ARG 13 2.843 1.925 3.024 99 HD3 ARG 13 1HD ARG 13 2.354 0.975 4.429 100 HE ARG 13 HE ARG 13 5.170 0.916 3.792 101 HH11 ARG 13 1HH1 ARG 13 2.658 2.461 5.732 102 HH12 ARG 13 2HH1 ARG 13 3.719 3.105 6.888 103 HH21 ARG 13 1HH2 ARG 13 6.640 1.763 5.351 104 HH22 ARG 13 2HH2 ARG 13 6.084 2.681 6.668 105 H CYS 14 H CYS 14 1.596 -4.399 3.753 106 HA CYS 14 HA CYS 14 -0.118 -3.827 1.495 107 HB2 CYS 14 2HB CYS 14 -0.275 -6.122 3.438 108 HB3 CYS 14 1HB CYS 14 -1.375 -5.802 2.079 109 H VAL 15 H VAL 15 -1.663 -2.567 1.654 110 HA VAL 15 HA VAL 15 -2.620 -1.858 4.354 111 HB VAL 15 HB VAL 15 -2.233 0.060 2.039 112 HG11 VAL 15 1HG1 VAL 15 -2.845 0.588 4.941 113 HG12 VAL 15 2HG1 VAL 15 -3.974 0.753 3.593 114 HG13 VAL 15 3HG1 VAL 15 -2.561 1.806 3.698 115 HG21 VAL 15 3HG2 VAL 15 -0.059 -0.717 2.825 116 HG22 VAL 15 1HG2 VAL 15 -0.494 -0.292 4.481 117 HG23 VAL 15 2HG2 VAL 15 -0.314 0.970 3.261 118 H ABA 16 H ABU 16 -4.773 -1.559 4.572 119 HA ABA 16 HA ABU 16 -6.446 -2.368 2.367 120 HB3 ABA 16 1HB ABU 16 -7.233 -1.484 5.158 121 HB2 ABA 16 2HB ABU 16 -6.875 -3.145 4.714 122 HG1 ABA 16 3HG ABU 16 -9.271 -2.752 4.805 123 HG3 ABA 16 1HG ABU 16 -8.752 -3.147 3.165 124 HG2 ABA 16 2HG ABU 16 -9.114 -1.475 3.597 125 H ARG 17 H ARG 17 -6.794 -0.926 0.897 126 HA ARG 17 HA ARG 17 -7.603 1.793 1.634 127 HB2 ARG 17 2HB ARG 17 -5.793 1.037 -0.685 128 HB3 ARG 17 1HB ARG 17 -6.385 2.650 -0.344 129 HG2 ARG 17 2HG ARG 17 -5.109 2.656 1.771 130 HG3 ARG 17 1HG ARG 17 -4.515 1.044 1.387 131 HD2 ARG 17 2HD ARG 17 -2.842 2.696 0.825 132 HD3 ARG 17 1HD ARG 17 -3.454 1.946 -0.647 133 HE ARG 17 HE ARG 17 -4.943 4.252 -0.175 134 HH11 ARG 17 1HH1 ARG 17 -1.581 3.402 -0.992 135 HH12 ARG 17 2HH1 ARG 17 -1.255 4.866 -1.781 136 HH21 ARG 17 1HH2 ARG 17 -4.447 6.307 -1.278 137 HH22 ARG 17 2HH2 ARG 17 -2.923 6.551 -1.952 138 H ARG 18 H ARG 18 -9.455 2.375 0.606 139 HA ARG 18 HA ARG 18 -11.341 2.224 -0.641 140 HB2 ARG 18 2HB ARG 18 -9.762 2.412 -2.548 141 HB3 ARG 18 1HB ARG 18 -9.574 0.669 -2.488 142 HG2 ARG 18 2HG ARG 18 -11.972 0.453 -3.137 143 HG3 ARG 18 1HG ARG 18 -12.019 2.207 -3.347 144 HD2 ARG 18 2HD ARG 18 -10.285 2.089 -5.030 145 HD3 ARG 18 1HD ARG 18 -10.119 0.353 -4.766 146 HE ARG 18 HE ARG 18 -12.759 1.054 -5.454 147 HH11 ARG 18 1HH1 ARG 18 -9.558 0.462 -6.859 148 HH12 ARG 18 2HH1 ARG 18 -10.179 0.122 -8.415 149 HH21 ARG 18 1HH2 ARG 18 -13.569 0.536 -7.625 150 HH22 ARG 18 2HH2 ARG 18 -12.433 0.132 -8.832
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