NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10412 | 1pqr | 5869 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 7.278 -6.486 1.572 2 2H GLY 1 2H GLY 1 8.456 -7.405 2.235 3 1HA GLY 1 1HA GLY 1 6.784 -8.845 1.336 4 2HA GLY 1 2HA GLY 1 6.872 -9.007 3.087 5 H CYS 2 H CYS 2 4.924 -7.936 0.418 6 HA CYS 2 HA CYS 2 2.533 -7.405 2.268 7 1HB CYS 2 1HB CYS 2 3.343 -5.233 1.528 8 2HB CYS 2 2HB CYS 2 3.554 -5.738 -0.143 9 H CYS 3 H CYS 3 1.737 -7.231 -0.966 10 HA CYS 3 HA CYS 3 1.690 -10.069 -1.637 11 1HB CYS 3 2HB CYS 3 -0.228 -10.220 -0.070 12 2HB CYS 3 1HB CYS 3 -1.121 -8.998 -0.986 13 H GLY 4 H GLY 4 -0.863 -7.783 -2.712 14 1HA GLY 4 1HA GLY 4 -0.042 -6.091 -4.571 15 2HA GLY 4 2HA GLY 4 0.731 -7.448 -5.334 16 HA PRO 5 HA PRO 5 -3.361 -6.490 -7.506 17 1HB PRO 5 2HB PRO 5 -1.511 -7.524 -9.742 18 2HB PRO 5 1HB PRO 5 -2.773 -6.278 -9.847 19 1HG PRO 5 2HG PRO 5 -0.166 -5.552 -9.588 20 2HG PRO 5 1HG PRO 5 -1.415 -4.678 -8.671 21 1HD PRO 5 2HD PRO 5 0.547 -6.765 -7.609 22 2HD PRO 5 1HD PRO 5 -0.129 -5.324 -6.824 23 H TYR 6 H TYR 6 -1.817 -9.553 -7.159 24 HA TYR 6 HA TYR 6 -3.624 -11.046 -9.025 25 1HB TYR 6 1HB TYR 6 -1.440 -12.015 -7.058 26 2HB TYR 6 2HB TYR 6 -2.311 -13.074 -8.122 27 HD1 TYR 6 HD1 TYR 6 0.362 -10.544 -7.973 28 HD2 TYR 6 HD2 TYR 6 -2.051 -12.891 -10.655 29 HE1 TYR 6 HE1 TYR 6 1.921 -10.061 -9.808 30 HE2 TYR 6 HE2 TYR 6 -0.480 -12.402 -12.482 31 HH TYR 6 HH TYR 6 2.403 -10.371 -11.955 32 HA HYP 7 HA HYP 7 -7.542 -12.271 -7.220 33 1HB HYP 7 1HB HYP 7 -5.687 -13.948 -5.425 34 2HB HYP 7 2HB HYP 7 -7.360 -14.327 -5.895 35 1HD HYP 7 1HD HYP 7 -6.113 -12.985 -9.234 36 2HD HYP 7 2HD HYP 7 -4.436 -13.393 -8.851 37 HOD HYP 7 HOD HYP 7 -6.519 -15.432 -9.066 38 HG HYP 7 HG HYP 7 -5.053 -15.098 -7.353 39 H ASN 8 H ASN 8 -8.345 -12.685 -4.656 40 HA ASN 8 HA ASN 8 -8.222 -9.794 -3.654 41 1HB ASN 8 2HB ASN 8 -10.704 -11.115 -4.945 42 2HB ASN 8 1HB ASN 8 -10.734 -9.589 -4.102 43 1HD2 ASN 8 2HD2 ASN 8 -10.410 -10.897 -7.146 44 2HD2 ASN 8 1HD2 ASN 8 -9.781 -9.385 -7.975 45 H ALA 9 H ALA 9 -7.547 -12.064 -2.061 46 HA ALA 9 HA ALA 9 -9.759 -12.044 0.071 47 1HB ALA 9 1HB ALA 9 -8.360 -13.721 1.274 48 2HB ALA 9 2HB ALA 9 -8.791 -14.275 -0.358 49 3HB ALA 9 3HB ALA 9 -7.145 -13.681 -0.026 50 H ALA 10 H ALA 10 -6.304 -11.943 0.784 51 HA ALA 10 HA ALA 10 -6.518 -9.152 2.015 52 1HB ALA 10 1HB ALA 10 -5.285 -10.953 3.308 53 2HB ALA 10 2HB ALA 10 -4.208 -9.611 2.864 54 3HB ALA 10 3HB ALA 10 -4.131 -11.131 1.955 55 H CYS 11 H CYS 11 -5.636 -10.515 -1.012 56 HA CYS 11 HA CYS 11 -3.221 -8.870 -1.518 57 1HB CYS 11 2HB CYS 11 -3.815 -11.396 -2.191 58 2HB CYS 11 1HB CYS 11 -4.610 -10.653 -3.570 59 H HIS 12 H HIS 12 -3.362 -6.870 -2.147 60 HA HIS 12 HA HIS 12 -5.543 -5.889 -4.067 61 1HB HIS 12 2HB HIS 12 -4.599 -4.504 -1.469 62 2HB HIS 12 1HB HIS 12 -5.569 -3.719 -2.685 63 HD1 HIS 12 HD1 HIS 12 -8.147 -4.968 -3.177 64 HD2 HIS 12 HD2 HIS 12 -5.932 -5.872 0.395 65 HE1 HIS 12 HE1 HIS 12 -9.687 -6.031 -1.406 66 HE2 HIS 12 HE2 HIS 12 -8.451 -6.612 0.781 67 HA HYP 13 HA HYP 13 -2.086 -4.029 -6.421 68 1HB HYP 13 1HB HYP 13 -3.926 -1.609 -6.671 69 2HB HYP 13 2HB HYP 13 -2.936 -2.384 -7.905 70 1HD HYP 13 1HD HYP 13 -5.869 -3.618 -5.433 71 2HD HYP 13 2HD HYP 13 -5.482 -5.194 -6.177 72 HOD HYP 13 HOD HYP 13 -5.250 -4.957 -8.460 73 HG HYP 13 HG HYP 13 -5.645 -2.861 -7.674 74 H CYS 14 H CYS 14 -3.628 -1.505 -4.335 75 HA CYS 14 HA CYS 14 -0.862 -0.939 -3.168 76 1HB CYS 14 2HB CYS 14 -1.665 0.975 -4.614 77 2HB CYS 14 1HB CYS 14 -3.022 1.238 -3.540 78 H GLY 15 H GLY 15 -2.095 -2.946 -2.061 79 1HA GLY 15 1HA GLY 15 -3.592 -2.129 0.444 80 2HA GLY 15 2HA GLY 15 -2.989 -3.731 0.064 81 H CYS 16 H CYS 16 -0.289 -2.482 -0.610 82 HA CYS 16 HA CYS 16 1.121 -2.868 1.892 83 1HB CYS 16 2HB CYS 16 2.166 -1.524 -0.714 84 2HB CYS 16 1HB CYS 16 3.069 -2.557 0.419 85 H LYS 17 H LYS 17 2.924 -1.378 2.508 86 HA LYS 17 HA LYS 17 2.032 1.443 3.184 87 1HB LYS 17 2HB LYS 17 4.563 -0.156 3.815 88 2HB LYS 17 1HB LYS 17 4.302 1.525 4.282 89 1HG LYS 17 1HG LYS 17 2.207 0.854 5.541 90 2HG LYS 17 2HG LYS 17 2.496 -0.833 5.114 91 1HD LYS 17 1HD LYS 17 4.720 -0.764 6.364 92 2HD LYS 17 2HD LYS 17 4.443 0.928 6.742 93 1HE LYS 17 2HE LYS 17 3.888 -0.296 8.728 94 2HE LYS 17 1HE LYS 17 2.363 0.298 8.078 95 1HZ LYS 17 1HZ LYS 17 3.422 -2.475 7.747 96 2HZ LYS 17 2HZ LYS 17 2.204 -2.016 8.765 97 3HZ LYS 17 3HZ LYS 17 1.987 -1.936 7.130 98 H VAL 18 H VAL 18 5.053 0.170 2.224 99 HA VAL 18 HA VAL 18 5.560 2.419 0.217 100 HB VAL 18 HB VAL 18 7.952 1.781 0.264 101 1HG1 VAL 18 1HG1 VAL 18 6.876 2.552 3.037 102 2HG1 VAL 18 2HG1 VAL 18 8.514 2.859 2.409 103 3HG1 VAL 18 3HG1 VAL 18 7.115 3.659 1.664 104 1HG2 VAL 18 1HG2 VAL 18 7.896 -0.601 1.028 105 2HG2 VAL 18 2HG2 VAL 18 7.351 -0.088 2.642 106 3HG2 VAL 18 3HG2 VAL 18 8.961 0.384 2.045 107 H GLY 19 H GLY 19 6.008 2.041 -1.877 108 1HA GLY 19 2HA GLY 19 6.513 0.819 -3.902 109 2HA GLY 19 1HA GLY 19 6.527 -0.687 -3.014 110 H ARG 20 H ARG 20 4.414 1.732 -4.464 111 HA ARG 20 HA ARG 20 2.331 -0.316 -5.189 112 1HB ARG 20 2HB ARG 20 0.582 0.678 -3.925 113 2HB ARG 20 1HB ARG 20 1.868 0.233 -2.834 114 1HG ARG 20 2HG ARG 20 1.075 3.064 -3.735 115 2HG ARG 20 1HG ARG 20 0.717 2.246 -2.208 116 1HD ARG 20 1HD ARG 20 3.200 2.193 -1.668 117 2HD ARG 20 2HD ARG 20 3.500 3.152 -3.134 118 HE ARG 20 HE ARG 20 1.460 4.491 -1.512 119 1HH1 ARG 20 2HH1 ARG 20 4.961 3.870 -1.478 120 2HH1 ARG 20 1HH1 ARG 20 5.241 5.372 -0.461 121 1HH2 ARG 20 2HH2 ARG 20 1.898 6.192 -0.353 122 2HH2 ARG 20 1HH2 ARG 20 3.620 6.597 0.132 123 HA HYP 21 HA HYP 21 1.076 1.826 -8.817 124 1HB HYP 21 1HB HYP 21 -1.388 1.892 -9.025 125 2HB HYP 21 2HB HYP 21 -1.587 2.291 -7.311 126 1HD HYP 21 1HD HYP 21 0.899 -0.732 -6.997 127 2HD HYP 21 2HD HYP 21 -0.040 -0.088 -5.652 128 HOD HYP 21 HOD HYP 21 0.039 -0.290 -9.184 129 HG HYP 21 HG HYP 21 -1.891 -0.018 -7.114 130 HA HYP 22 HA HYP 22 1.519 6.311 -8.873 131 1HB HYP 22 1HB HYP 22 0.851 7.181 -11.017 132 2HB HYP 22 2HB HYP 22 -0.685 6.308 -11.015 133 1HD HYP 22 1HD HYP 22 -0.343 3.420 -10.750 134 2HD HYP 22 2HD HYP 22 1.391 3.068 -10.517 135 HOD HYP 22 HOD HYP 22 2.718 5.290 -10.590 136 HG HYP 22 HG HYP 22 0.578 4.866 -12.414 137 H TYR 23 H TYR 23 -1.956 5.456 -8.790 138 HA TYR 23 HA TYR 23 -2.881 8.093 -7.813 139 1HB TYR 23 2HB TYR 23 -5.060 7.001 -7.461 140 2HB TYR 23 1HB TYR 23 -4.434 6.710 -9.048 141 HD1 TYR 23 HD1 TYR 23 -3.791 4.394 -9.774 142 HD2 TYR 23 HD2 TYR 23 -5.227 5.084 -5.776 143 HE1 TYR 23 HE1 TYR 23 -4.007 1.974 -9.426 144 HE2 TYR 23 HE2 TYR 23 -5.411 2.659 -5.433 145 HH TYR 23 HH TYR 23 -5.145 0.644 -6.319 146 H CYS 24 H CYS 24 -1.587 5.346 -6.162 147 HA CYS 24 HA CYS 24 -2.766 6.010 -3.469 148 1HB CYS 24 1HB CYS 24 -2.755 3.665 -4.377 149 2HB CYS 24 2HB CYS 24 -1.008 3.689 -4.525 150 H ASP 25 H ASP 25 0.096 6.439 -5.183 151 HA ASP 25 HA ASP 25 1.721 7.339 -2.761 152 1HB ASP 25 2HB ASP 25 2.847 5.766 -4.438 153 2HB ASP 25 1HB ASP 25 2.677 6.984 -5.686 154 HD2 ASP 25 HD2 ASP 25 3.885 8.694 -5.624 155 H ARG 26 H ARG 26 0.017 8.476 -5.623 156 HA ARG 26 HA ARG 26 0.850 11.327 -5.499 157 1HB ARG 26 1HB ARG 26 -0.030 10.308 -7.498 158 2HB ARG 26 2HB ARG 26 -1.517 9.802 -6.697 159 1HG ARG 26 2HG ARG 26 -2.245 12.203 -6.499 160 2HG ARG 26 1HG ARG 26 -0.712 12.728 -7.182 161 1HD ARG 26 2HD ARG 26 -2.361 12.829 -8.952 162 2HD ARG 26 1HD ARG 26 -1.228 11.536 -9.346 163 HE ARG 26 HE ARG 26 -3.577 10.413 -7.943 164 1HH1 ARG 26 1HH2 ARG 26 -2.634 11.710 -11.116 165 2HH1 ARG 26 2HH2 ARG 26 -3.959 10.732 -11.925 166 1HH2 ARG 26 1HH1 ARG 26 -5.050 9.345 -8.968 167 2HH2 ARG 26 2HH1 ARG 26 -5.233 9.484 -10.788 168 HA HYP 27 HA HYP 27 -1.215 12.597 -1.780 169 1HB HYP 27 1HB HYP 27 -1.579 14.960 -1.721 170 2HB HYP 27 2HB HYP 27 -2.441 14.977 -3.270 171 1HD HYP 27 1HD HYP 27 -0.857 13.889 -5.466 172 2HD HYP 27 2HD HYP 27 0.698 13.310 -4.822 173 HOD HYP 27 HOD HYP 27 0.761 13.747 -2.259 174 HG HYP 27 HG HYP 27 -0.317 15.712 -4.009 175 H SER 28 H SER 28 -2.716 11.143 -1.201 176 HA SER 28 HA SER 28 -5.364 10.896 -2.343 177 1HB SER 28 1HB SER 28 -4.088 9.001 -1.359 178 2HB SER 28 2HB SER 28 -4.292 9.669 0.265 179 HG SER 28 HG SER 28 -5.849 8.119 -0.271 180 H GLY 29 H GLY 29 -4.681 11.800 1.106 181 1HA GLY 29 1HA GLY 29 -6.396 14.159 1.140 182 2HA GLY 29 2HA GLY 29 -7.403 12.790 1.616 183 H GLY 30 H GLY 30 -7.048 11.838 3.615 184 1HA GLY 30 2HA GLY 30 -5.493 13.457 5.664 185 2HA GLY 30 1HA GLY 30 -6.711 12.248 6.004 186 1HN NH2 31 1HN NH2 31 -6.036 10.097 6.318 187 2HN NH2 31 2HN NH2 31 -4.274 9.590 6.272 Start of MODEL 2 1 1H GLY 1 1H GLY 1 7.430 -6.706 0.502 2 2H GLY 1 2H GLY 1 7.587 -6.963 2.109 3 1HA GLY 1 2HA GLY 1 6.856 -9.055 0.125 4 2HA GLY 1 1HA GLY 1 7.019 -9.315 1.859 5 H CYS 2 H CYS 2 4.996 -8.017 -0.652 6 HA CYS 2 HA CYS 2 2.754 -7.378 1.347 7 1HB CYS 2 2HB CYS 2 3.724 -5.301 0.384 8 2HB CYS 2 1HB CYS 2 3.572 -5.921 -1.266 9 H CYS 3 H CYS 3 1.718 -7.225 -1.767 10 HA CYS 3 HA CYS 3 1.529 -10.035 -2.479 11 1HB CYS 3 1HB CYS 3 -0.311 -10.202 -0.797 12 2HB CYS 3 2HB CYS 3 -1.188 -8.908 -1.614 13 H GLY 4 H GLY 4 -0.914 -7.471 -3.186 14 1HA GLY 4 1HA GLY 4 -0.665 -5.862 -5.105 15 2HA GLY 4 2HA GLY 4 0.555 -6.863 -5.781 16 HA PRO 5 HA PRO 5 -3.327 -7.802 -8.289 17 1HB PRO 5 1HB PRO 5 -2.131 -8.029 -10.782 18 2HB PRO 5 2HB PRO 5 -2.570 -6.506 -10.005 19 1HG PRO 5 2HG PRO 5 0.180 -7.858 -9.999 20 2HG PRO 5 1HG PRO 5 -0.219 -6.165 -10.398 21 1HD PRO 5 2HD PRO 5 0.665 -6.818 -7.866 22 2HD PRO 5 1HD PRO 5 -0.618 -5.605 -8.079 23 H TYR 6 H TYR 6 -3.160 -9.644 -6.878 24 HA TYR 6 HA TYR 6 -2.704 -12.326 -8.264 25 1HB TYR 6 2HB TYR 6 -1.358 -11.387 -5.623 26 2HB TYR 6 1HB TYR 6 -1.488 -13.059 -6.001 27 HD1 TYR 6 HD1 TYR 6 0.404 -10.020 -6.640 28 HD2 TYR 6 HD2 TYR 6 -0.313 -13.995 -8.123 29 HE1 TYR 6 HE1 TYR 6 2.498 -9.925 -7.918 30 HE2 TYR 6 HE2 TYR 6 1.783 -13.887 -9.402 31 HH TYR 6 HH TYR 6 3.863 -10.991 -9.310 32 HA HYP 7 HA HYP 7 -6.159 -14.765 -6.171 33 1HB HYP 7 1HB HYP 7 -5.246 -15.689 -4.104 34 2HB HYP 7 2HB HYP 7 -4.208 -14.273 -3.846 35 1HD HYP 7 1HD HYP 7 -4.112 -15.248 -7.651 36 2HD HYP 7 2HD HYP 7 -2.606 -14.448 -7.210 37 HOD HYP 7 HOD HYP 7 -3.808 -17.325 -4.952 38 HG HYP 7 HG HYP 7 -2.580 -15.410 -5.044 39 H ASN 8 H ASN 8 -6.661 -14.274 -3.338 40 HA ASN 8 HA ASN 8 -8.881 -12.251 -3.936 41 1HB ASN 8 1HB ASN 8 -9.104 -15.071 -2.701 42 2HB ASN 8 2HB ASN 8 -10.434 -13.946 -2.837 43 1HD2 ASN 8 1HD2 ASN 8 -8.817 -16.409 -4.474 44 2HD2 ASN 8 2HD2 ASN 8 -9.655 -16.182 -6.091 45 H ALA 9 H ALA 9 -7.482 -13.872 -0.988 46 HA ALA 9 HA ALA 9 -9.282 -12.376 0.771 47 1HB ALA 9 1HB ALA 9 -8.062 -13.507 2.623 48 2HB ALA 9 2HB ALA 9 -6.809 -14.063 1.489 49 3HB ALA 9 3HB ALA 9 -8.486 -14.641 1.328 50 H ALA 10 H ALA 10 -5.772 -12.167 1.406 51 HA ALA 10 HA ALA 10 -6.003 -9.286 2.237 52 1HB ALA 10 1HB ALA 10 -4.366 -10.858 3.369 53 2HB ALA 10 2HB ALA 10 -3.465 -11.021 1.834 54 3HB ALA 10 3HB ALA 10 -3.539 -9.455 2.662 55 H CYS 11 H CYS 11 -5.302 -10.810 -0.779 56 HA CYS 11 HA CYS 11 -3.262 -9.058 -1.724 57 1HB CYS 11 2HB CYS 11 -4.019 -11.480 -2.522 58 2HB CYS 11 1HB CYS 11 -5.037 -10.598 -3.668 59 H HIS 12 H HIS 12 -3.289 -7.092 -2.305 60 HA HIS 12 HA HIS 12 -5.499 -5.834 -3.958 61 1HB HIS 12 2HB HIS 12 -4.611 -4.763 -1.199 62 2HB HIS 12 1HB HIS 12 -5.452 -3.782 -2.367 63 HD1 HIS 12 HD1 HIS 12 -8.064 -4.851 -3.150 64 HD2 HIS 12 HD2 HIS 12 -6.148 -6.107 0.488 65 HE1 HIS 12 HE1 HIS 12 -9.779 -5.915 -1.548 66 HE2 HIS 12 HE2 HIS 12 -8.728 -6.705 0.669 67 HA HYP 13 HA HYP 13 -1.616 -3.981 -5.774 68 1HB HYP 13 1HB HYP 13 -3.613 -1.929 -6.814 69 2HB HYP 13 2HB HYP 13 -2.301 -2.749 -7.668 70 1HD HYP 13 1HD HYP 13 -4.967 -5.551 -6.096 71 2HD HYP 13 2HD HYP 13 -5.555 -3.910 -5.696 72 HOD HYP 13 HOD HYP 13 -4.136 -5.656 -8.242 73 HG HYP 13 HG HYP 13 -4.906 -3.534 -7.965 74 H CYS 14 H CYS 14 -3.983 -1.687 -4.395 75 HA CYS 14 HA CYS 14 -1.820 0.069 -3.185 76 1HB CYS 14 1HB CYS 14 -3.734 1.101 -4.388 77 2HB CYS 14 2HB CYS 14 -4.902 0.355 -3.265 78 H GLY 15 H GLY 15 -2.721 -2.849 -2.174 79 1HA GLY 15 2HA GLY 15 -3.569 -2.491 0.637 80 2HA GLY 15 1HA GLY 15 -2.812 -3.909 -0.056 81 H CYS 16 H CYS 16 -0.366 -2.717 -0.965 82 HA CYS 16 HA CYS 16 1.334 -2.929 1.295 83 1HB CYS 16 2HB CYS 16 2.074 -1.343 -1.253 84 2HB CYS 16 1HB CYS 16 3.127 -2.328 -0.234 85 H LYS 17 H LYS 17 2.852 -1.464 2.181 86 HA LYS 17 HA LYS 17 1.834 1.296 2.931 87 1HB LYS 17 2HB LYS 17 4.284 -0.300 3.823 88 2HB LYS 17 1HB LYS 17 3.893 1.335 4.363 89 1HG LYS 17 2HG LYS 17 1.658 0.509 5.252 90 2HG LYS 17 1HG LYS 17 2.053 -1.108 4.696 91 1HD LYS 17 1HD LYS 17 2.484 -1.151 7.019 92 2HD LYS 17 2HD LYS 17 4.072 -1.143 6.266 93 1HE LYS 17 2HE LYS 17 4.268 1.364 6.767 94 2HE LYS 17 1HE LYS 17 2.660 1.333 7.504 95 1HZ LYS 17 1HZ LYS 17 3.509 -0.268 9.143 96 2HZ LYS 17 2HZ LYS 17 4.402 1.122 9.164 97 3HZ LYS 17 3HZ LYS 17 5.010 -0.239 8.452 98 H VAL 18 H VAL 18 4.883 -0.024 2.115 99 HA VAL 18 HA VAL 18 5.646 2.401 0.407 100 HB VAL 18 HB VAL 18 7.090 2.036 2.360 101 1HG1 VAL 18 1HG2 VAL 18 8.755 0.216 2.544 102 2HG1 VAL 18 2HG2 VAL 18 8.103 -0.593 1.097 103 3HG1 VAL 18 3HG2 VAL 18 7.122 -0.471 2.574 104 1HG2 VAL 18 1HG1 VAL 18 7.978 3.202 0.354 105 2HG2 VAL 18 2HG1 VAL 18 8.626 1.665 -0.273 106 3HG2 VAL 18 3HG1 VAL 18 9.257 2.351 1.246 107 H GLY 19 H GLY 19 6.018 2.150 -1.693 108 1HA GLY 19 1HA GLY 19 6.658 1.091 -3.774 109 2HA GLY 19 2HA GLY 19 6.752 -0.463 -2.981 110 H ARG 20 H ARG 20 4.578 1.858 -4.450 111 HA ARG 20 HA ARG 20 2.570 -0.280 -5.201 112 1HB ARG 20 2HB ARG 20 0.759 0.733 -4.095 113 2HB ARG 20 1HB ARG 20 1.973 0.327 -2.913 114 1HG ARG 20 2HG ARG 20 1.442 3.153 -4.025 115 2HG ARG 20 1HG ARG 20 0.676 2.446 -2.610 116 1HD ARG 20 1HD ARG 20 3.036 2.141 -1.566 117 2HD ARG 20 2HD ARG 20 3.656 3.127 -2.905 118 HE ARG 20 HE ARG 20 1.376 4.444 -1.539 119 1HH1 ARG 20 1HH1 ARG 20 4.882 3.911 -1.239 120 2HH1 ARG 20 2HH1 ARG 20 5.047 5.425 -0.215 121 1HH2 ARG 20 1HH2 ARG 20 1.685 6.155 -0.355 122 2HH2 ARG 20 2HH2 ARG 20 3.358 6.608 0.250 123 HA HYP 21 HA HYP 21 1.098 1.615 -8.795 124 1HB HYP 21 1HB HYP 21 -1.335 1.777 -8.900 125 2HB HYP 21 2HB HYP 21 -1.451 2.502 -7.289 126 1HD HYP 21 1HD HYP 21 0.034 0.360 -5.241 127 2HD HYP 21 2HD HYP 21 0.768 -0.638 -6.467 128 HOD HYP 21 HOD HYP 21 -0.120 -0.487 -8.690 129 HG HYP 21 HG HYP 21 -1.929 0.308 -6.644 130 HA HYP 22 HA HYP 22 1.553 6.167 -9.295 131 1HB HYP 22 1HB HYP 22 0.792 6.787 -11.484 132 2HB HYP 22 2HB HYP 22 -0.740 5.923 -11.316 133 1HD HYP 22 1HD HYP 22 1.337 2.723 -10.663 134 2HD HYP 22 2HD HYP 22 -0.403 3.096 -10.781 135 HOD HYP 22 HOD HYP 22 2.433 5.437 -12.503 136 HG HYP 22 HG HYP 22 0.429 4.360 -12.647 137 H TYR 23 H TYR 23 -1.837 5.107 -8.990 138 HA TYR 23 HA TYR 23 -2.819 7.730 -7.941 139 1HB TYR 23 2HB TYR 23 -4.988 6.630 -7.679 140 2HB TYR 23 1HB TYR 23 -4.363 6.393 -9.275 141 HD1 TYR 23 HD1 TYR 23 -3.669 4.083 -10.052 142 HD2 TYR 23 HD2 TYR 23 -5.237 4.675 -6.087 143 HE1 TYR 23 HE1 TYR 23 -3.904 1.656 -9.774 144 HE2 TYR 23 HE2 TYR 23 -5.453 2.245 -5.819 145 HH TYR 23 HH TYR 23 -5.149 0.250 -6.741 146 H CYS 24 H CYS 24 -1.399 4.960 -6.509 147 HA CYS 24 HA CYS 24 -2.592 5.446 -3.752 148 1HB CYS 24 1HB CYS 24 -2.738 3.143 -4.764 149 2HB CYS 24 2HB CYS 24 -0.998 3.020 -4.842 150 H ASP 25 H ASP 25 0.226 5.839 -5.522 151 HA ASP 25 HA ASP 25 1.978 6.496 -3.120 152 1HB ASP 25 2HB ASP 25 2.923 4.953 -4.983 153 2HB ASP 25 1HB ASP 25 2.872 6.320 -6.073 154 HD2 ASP 25 HD2 ASP 25 4.478 4.693 -3.775 155 H ARG 26 H ARG 26 0.479 7.886 -6.026 156 HA ARG 26 HA ARG 26 1.407 10.681 -5.580 157 1HB ARG 26 1HB ARG 26 0.656 9.783 -7.743 158 2HB ARG 26 2HB ARG 26 -0.989 9.569 -7.129 159 1HG ARG 26 1HG ARG 26 -1.139 12.060 -6.698 160 2HG ARG 26 2HG ARG 26 0.523 12.259 -7.267 161 1HD ARG 26 1HD ARG 26 -0.162 11.384 -9.560 162 2HD ARG 26 2HD ARG 26 -1.831 11.211 -8.987 163 HE ARG 26 HE ARG 26 -1.003 13.972 -8.511 164 1HH1 ARG 26 2HH2 ARG 26 -1.747 11.840 -11.259 165 2HH1 ARG 26 1HH2 ARG 26 -2.244 13.291 -12.267 166 1HH2 ARG 26 1HH1 ARG 26 -1.594 15.548 -9.749 167 2HH2 ARG 26 2HH1 ARG 26 -2.163 15.247 -11.467 168 HA HYP 27 HA HYP 27 -0.968 11.470 -1.855 169 1HB HYP 27 1HB HYP 27 -1.201 13.831 -1.451 170 2HB HYP 27 2HB HYP 27 -1.725 14.165 -3.113 171 1HD HYP 27 1HD HYP 27 0.225 13.256 -5.122 172 2HD HYP 27 2HD HYP 27 1.498 12.344 -4.275 173 HOD HYP 27 HOD HYP 27 2.168 13.428 -2.351 174 HG HYP 27 HG HYP 27 0.569 14.748 -3.298 175 H SER 28 H SER 28 -2.618 10.143 -1.680 176 HA SER 28 HA SER 28 -5.035 10.215 -3.263 177 1HB SER 28 2HB SER 28 -4.431 8.546 -0.755 178 2HB SER 28 1HB SER 28 -5.802 8.299 -1.841 179 HG SER 28 HG SER 28 -4.035 7.000 -2.359 180 H GLY 29 H GLY 29 -4.913 10.577 0.346 181 1HA GLY 29 2HA GLY 29 -6.609 12.958 0.430 182 2HA GLY 29 1HA GLY 29 -7.668 11.555 0.584 183 H GLY 30 H GLY 30 -7.617 10.379 2.494 184 1HA GLY 30 2HA GLY 30 -5.588 10.506 4.595 185 2HA GLY 30 1HA GLY 30 -6.802 11.732 4.966 186 1HN NH2 31 1HN NH2 31 -9.196 9.254 6.076 187 2HN NH2 31 2HN NH2 31 -8.824 11.020 5.746 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -1.222 -4.658 -9.843 2 2H GLY 1 2H GLY 1 -0.473 -6.009 -9.310 3 1HA GLY 1 1HA GLY 1 1.092 -4.188 -9.503 4 2HA GLY 1 2HA GLY 1 0.093 -3.231 -8.411 5 H CYS 2 H CYS 2 0.012 -3.815 -6.209 6 HA CYS 2 HA CYS 2 2.367 -5.230 -5.052 7 1HB CYS 2 2HB CYS 2 1.230 -3.167 -4.043 8 2HB CYS 2 1HB CYS 2 -0.090 -4.219 -3.508 9 H CYS 3 H CYS 3 -1.181 -5.937 -5.062 10 HA CYS 3 HA CYS 3 -0.495 -8.861 -5.126 11 1HB CYS 3 2HB CYS 3 -0.932 -8.635 -2.732 12 2HB CYS 3 1HB CYS 3 -2.535 -7.925 -3.001 13 H GLY 4 H GLY 4 -3.824 -7.322 -4.836 14 1HA GLY 4 1HA GLY 4 -5.365 -7.128 -6.796 15 2HA GLY 4 2HA GLY 4 -4.189 -7.903 -7.794 16 HA PRO 5 HA PRO 5 -7.760 -10.762 -6.635 17 1HB PRO 5 1HB PRO 5 -8.417 -11.772 -9.130 18 2HB PRO 5 2HB PRO 5 -8.840 -10.156 -8.555 19 1HG PRO 5 1HG PRO 5 -6.400 -10.929 -10.247 20 2HG PRO 5 2HG PRO 5 -7.622 -9.686 -10.621 21 1HD PRO 5 1HD PRO 5 -5.270 -8.961 -9.381 22 2HD PRO 5 2HD PRO 5 -6.796 -8.220 -8.840 23 H TYR 6 H TYR 6 -5.645 -11.714 -5.631 24 HA TYR 6 HA TYR 6 -6.142 -14.692 -5.937 25 1HB TYR 6 1HB TYR 6 -3.288 -13.558 -5.587 26 2HB TYR 6 2HB TYR 6 -3.743 -15.222 -5.352 27 HD1 TYR 6 HD1 TYR 6 -2.890 -12.690 -7.858 28 HD2 TYR 6 HD2 TYR 6 -4.621 -16.601 -7.371 29 HE1 TYR 6 HE1 TYR 6 -2.598 -13.125 -10.255 30 HE2 TYR 6 HE2 TYR 6 -4.323 -17.023 -9.773 31 HH TYR 6 HH TYR 6 -3.602 -16.221 -11.715 32 HA HYP 7 HA HYP 7 -6.861 -12.462 -1.912 33 1HB HYP 7 1HB HYP 7 -9.120 -13.780 -0.973 34 2HB HYP 7 2HB HYP 7 -9.096 -12.549 -2.240 35 1HD HYP 7 1HD HYP 7 -8.383 -13.720 -4.898 36 2HD HYP 7 2HD HYP 7 -7.888 -15.417 -4.622 37 HOD HYP 7 HOD HYP 7 -10.409 -13.437 -3.880 38 HG HYP 7 HG HYP 7 -9.084 -15.596 -2.584 39 H ASN 8 H ASN 8 -5.848 -12.646 -0.149 40 HA ASN 8 HA ASN 8 -6.026 -15.169 1.568 41 1HB ASN 8 2HB ASN 8 -3.627 -14.445 1.250 42 2HB ASN 8 1HB ASN 8 -4.001 -12.870 1.913 43 1HD2 ASN 8 2HD2 ASN 8 -3.662 -16.294 2.679 44 2HD2 ASN 8 1HD2 ASN 8 -3.533 -16.050 4.493 45 H ALA 9 H ALA 9 -5.785 -11.608 2.160 46 HA ALA 9 HA ALA 9 -8.491 -11.648 3.587 47 1HB ALA 9 1HB ALA 9 -7.806 -9.464 4.574 48 2HB ALA 9 2HB ALA 9 -6.237 -9.551 3.737 49 3HB ALA 9 3HB ALA 9 -6.649 -10.742 4.997 50 H ALA 10 H ALA 10 -7.530 -8.683 2.254 51 HA ALA 10 HA ALA 10 -9.536 -8.871 -0.022 52 1HB ALA 10 1HB ALA 10 -8.903 -6.536 -0.577 53 2HB ALA 10 2HB ALA 10 -9.378 -6.637 1.135 54 3HB ALA 10 3HB ALA 10 -7.653 -6.523 0.678 55 H CYS 11 H CYS 11 -6.098 -8.889 0.572 56 HA CYS 11 HA CYS 11 -4.134 -8.616 -0.710 57 1HB CYS 11 2HB CYS 11 -5.274 -11.027 -0.962 58 2HB CYS 11 1HB CYS 11 -5.458 -10.571 -2.653 59 H HIS 12 H HIS 12 -4.358 -6.414 -1.204 60 HA HIS 12 HA HIS 12 -5.823 -5.585 -3.739 61 1HB HIS 12 1HB HIS 12 -5.072 -4.211 -1.097 62 2HB HIS 12 2HB HIS 12 -5.262 -3.187 -2.463 63 HD1 HIS 12 HD1 HIS 12 -7.865 -4.119 -3.956 64 HD2 HIS 12 HD2 HIS 12 -7.245 -3.769 0.281 65 HE1 HIS 12 HE1 HIS 12 -10.091 -3.628 -2.759 66 HE2 HIS 12 HE2 HIS 12 -9.825 -3.379 -0.208 67 HA HYP 13 HA HYP 13 -1.974 -4.108 -5.800 68 1HB HYP 13 1HB HYP 13 -2.604 -3.004 -7.763 69 2HB HYP 13 2HB HYP 13 -3.595 -1.825 -6.927 70 1HD HYP 13 1HD HYP 13 -5.833 -3.332 -5.393 71 2HD HYP 13 2HD HYP 13 -5.668 -5.052 -5.813 72 HOD HYP 13 HOD HYP 13 -3.657 -5.362 -7.423 73 HG HYP 13 HG HYP 13 -5.379 -3.127 -7.750 74 H CYS 14 H CYS 14 -4.093 -1.543 -4.365 75 HA CYS 14 HA CYS 14 -1.698 -0.021 -3.290 76 1HB CYS 14 1HB CYS 14 -3.648 1.263 -4.143 77 2HB CYS 14 2HB CYS 14 -4.702 0.549 -2.883 78 H GLY 15 H GLY 15 -2.697 -2.966 -2.418 79 1HA GLY 15 2HA GLY 15 -3.070 -2.888 0.461 80 2HA GLY 15 1HA GLY 15 -2.369 -4.205 -0.454 81 H CYS 16 H CYS 16 -0.136 -2.503 -1.479 82 HA CYS 16 HA CYS 16 2.012 -2.854 0.402 83 1HB CYS 16 1HB CYS 16 1.551 -1.373 -2.207 84 2HB CYS 16 2HB CYS 16 2.884 -0.759 -1.331 85 H LYS 17 H LYS 17 2.938 -1.645 1.861 86 HA LYS 17 HA LYS 17 1.728 0.897 2.950 87 1HB LYS 17 1HB LYS 17 2.606 -1.094 4.311 88 2HB LYS 17 2HB LYS 17 4.230 -0.623 3.838 89 1HG LYS 17 1HG LYS 17 3.700 0.306 6.052 90 2HG LYS 17 2HG LYS 17 3.927 1.628 4.906 91 1HD LYS 17 1HD LYS 17 1.425 1.855 4.645 92 2HD LYS 17 2HD LYS 17 1.174 0.500 5.752 93 1HE LYS 17 1HE LYS 17 2.303 1.808 7.620 94 2HE LYS 17 2HE LYS 17 2.557 3.168 6.516 95 1HZ LYS 17 1HZ LYS 17 -0.104 2.064 7.285 96 2HZ LYS 17 2HZ LYS 17 0.134 3.332 6.254 97 3HZ LYS 17 3HZ LYS 17 0.563 3.468 7.844 98 H VAL 18 H VAL 18 4.728 -0.247 1.738 99 HA VAL 18 HA VAL 18 5.562 2.511 0.718 100 HB VAL 18 HB VAL 18 7.961 1.918 0.903 101 1HG1 VAL 18 1HG2 VAL 18 8.229 2.612 3.263 102 2HG1 VAL 18 2HG2 VAL 18 6.894 3.500 2.503 103 3HG1 VAL 18 3HG2 VAL 18 6.544 2.162 3.622 104 1HG2 VAL 18 1HG1 VAL 18 7.179 -0.356 2.834 105 2HG2 VAL 18 2HG1 VAL 18 8.823 0.265 2.547 106 3HG2 VAL 18 3HG1 VAL 18 7.951 -0.556 1.244 107 H GLY 19 H GLY 19 5.659 2.528 -1.386 108 1HA GLY 19 1HA GLY 19 6.262 1.842 -3.619 109 2HA GLY 19 2HA GLY 19 6.719 0.262 -3.040 110 H ARG 20 H ARG 20 3.749 2.242 -3.394 111 HA ARG 20 HA ARG 20 2.050 -0.123 -4.332 112 1HB ARG 20 2HB ARG 20 1.430 2.845 -4.024 113 2HB ARG 20 1HB ARG 20 0.305 1.614 -4.533 114 1HG ARG 20 2HG ARG 20 -0.389 1.397 -2.469 115 2HG ARG 20 1HG ARG 20 1.111 0.707 -2.014 116 1HD ARG 20 1HD ARG 20 0.356 3.685 -1.886 117 2HD ARG 20 2HD ARG 20 0.414 2.582 -0.523 118 HE ARG 20 HE ARG 20 3.073 2.540 -1.586 119 1HH1 ARG 20 1HH1 ARG 20 0.931 5.062 -0.283 120 2HH1 ARG 20 2HH1 ARG 20 2.384 6.092 0.159 121 1HH2 ARG 20 2HH2 ARG 20 4.657 3.794 -1.016 122 2HH2 ARG 20 1HH2 ARG 20 4.346 5.422 -0.227 123 HA HYP 21 HA HYP 21 1.481 0.956 -8.727 124 1HB HYP 21 1HB HYP 21 -1.167 2.248 -7.801 125 2HB HYP 21 2HB HYP 21 -0.905 1.241 -9.222 126 1HD HYP 21 1HD HYP 21 -0.292 0.546 -5.215 127 2HD HYP 21 2HD HYP 21 0.512 -0.796 -5.997 128 HOD HYP 21 HOD HYP 21 -0.977 -1.747 -7.463 129 HG HYP 21 HG HYP 21 -1.966 0.232 -6.906 130 HA HYP 22 HA HYP 22 2.270 5.419 -9.538 131 1HB HYP 22 1HB HYP 22 0.361 5.232 -11.923 132 2HB HYP 22 2HB HYP 22 2.018 5.848 -11.876 133 1HD HYP 22 1HD HYP 22 1.845 1.840 -10.703 134 2HD HYP 22 2HD HYP 22 0.211 2.448 -11.082 135 HOD HYP 22 HOD HYP 22 3.528 3.832 -11.016 136 HG HYP 22 HG HYP 22 1.457 3.388 -12.914 137 H TYR 23 H TYR 23 -0.992 4.506 -9.033 138 HA TYR 23 HA TYR 23 -1.908 7.370 -8.654 139 1HB TYR 23 1HB TYR 23 -4.189 6.517 -8.364 140 2HB TYR 23 2HB TYR 23 -3.531 6.051 -9.895 141 HD1 TYR 23 HD1 TYR 23 -4.535 4.764 -6.526 142 HD2 TYR 23 HD2 TYR 23 -3.234 3.638 -10.467 143 HE1 TYR 23 HE1 TYR 23 -5.110 2.423 -6.051 144 HE2 TYR 23 HE2 TYR 23 -3.831 1.303 -9.987 145 HH TYR 23 HH TYR 23 -5.168 0.347 -6.822 146 H CYS 24 H CYS 24 -0.920 4.611 -6.754 147 HA CYS 24 HA CYS 24 -2.148 5.832 -4.245 148 1HB CYS 24 1HB CYS 24 -2.134 3.099 -5.072 149 2HB CYS 24 2HB CYS 24 -0.909 3.144 -3.822 150 H ASP 25 H ASP 25 0.779 5.431 -5.787 151 HA ASP 25 HA ASP 25 2.354 6.426 -3.389 152 1HB ASP 25 2HB ASP 25 3.175 4.133 -4.225 153 2HB ASP 25 1HB ASP 25 3.619 4.875 -5.746 154 HD2 ASP 25 HD2 ASP 25 5.437 3.800 -5.027 155 H ARG 26 H ARG 26 1.890 6.702 -6.919 156 HA ARG 26 HA ARG 26 3.301 9.368 -7.087 157 1HB ARG 26 1HB ARG 26 3.220 7.809 -8.982 158 2HB ARG 26 2HB ARG 26 1.460 7.984 -9.094 159 1HG ARG 26 1HG ARG 26 1.744 10.474 -9.454 160 2HG ARG 26 2HG ARG 26 3.492 10.306 -9.270 161 1HD ARG 26 1HD ARG 26 3.552 8.783 -11.319 162 2HD ARG 26 2HD ARG 26 1.805 9.002 -11.515 163 HE ARG 26 HE ARG 26 3.037 11.652 -11.449 164 1HH1 ARG 26 2HH1 ARG 26 2.904 8.818 -13.595 165 2HH1 ARG 26 1HH1 ARG 26 3.204 9.892 -15.053 166 1HH2 ARG 26 2HH2 ARG 26 3.372 12.776 -13.178 167 2HH2 ARG 26 1HH2 ARG 26 3.451 11.981 -14.831 168 HA HYP 27 HA HYP 27 -0.244 11.066 -4.757 169 1HB HYP 27 1HB HYP 27 0.423 13.645 -6.280 170 2HB HYP 27 2HB HYP 27 0.013 13.438 -4.566 171 1HD HYP 27 1HD HYP 27 2.807 11.984 -7.023 172 2HD HYP 27 2HD HYP 27 3.174 10.956 -5.615 173 HOD HYP 27 HOD HYP 27 1.906 13.103 -3.245 174 HG HYP 27 HG HYP 27 2.609 13.654 -5.342 175 H SER 28 H SER 28 -2.052 10.127 -5.383 176 HA SER 28 HA SER 28 -3.969 11.755 -6.944 177 1HB SER 28 1HB SER 28 -2.985 10.387 -8.794 178 2HB SER 28 2HB SER 28 -3.374 8.892 -7.942 179 HG SER 28 HG SER 28 -5.576 9.528 -8.026 180 H GLY 29 H GLY 29 -4.252 8.275 -6.059 181 1HA GLY 29 2HA GLY 29 -5.269 8.516 -3.415 182 2HA GLY 29 1HA GLY 29 -6.686 8.856 -4.404 183 H GLY 30 H GLY 30 -7.666 7.189 -5.476 184 1HA GLY 30 1HA GLY 30 -6.595 4.332 -5.376 185 2HA GLY 30 2HA GLY 30 -7.947 4.708 -4.319 186 1HN NH2 31 1HN NH2 31 -8.698 4.215 -8.324 187 2HN NH2 31 2HN NH2 31 -6.999 4.164 -7.632 Start of MODEL 4 1 1H GLY 1 1H GLY 1 7.560 -4.947 -3.907 2 2H GLY 1 2H GLY 1 8.506 -5.904 -2.980 3 1HA GLY 1 1HA GLY 1 6.640 -6.889 -5.075 4 2HA GLY 1 2HA GLY 1 7.657 -7.911 -4.063 5 H CYS 2 H CYS 2 4.786 -6.004 -4.188 6 HA CYS 2 HA CYS 2 4.107 -6.491 -1.238 7 1HB CYS 2 1HB CYS 2 3.847 -4.226 -1.559 8 2HB CYS 2 2HB CYS 2 3.304 -4.310 -3.213 9 H CYS 3 H CYS 3 1.369 -6.279 -3.580 10 HA CYS 3 HA CYS 3 1.015 -9.290 -3.364 11 1HB CYS 3 2HB CYS 3 -1.056 -7.149 -2.570 12 2HB CYS 3 1HB CYS 3 -1.251 -8.907 -2.553 13 H GLY 4 H GLY 4 -1.704 -7.402 -4.424 14 1HA GLY 4 1HA GLY 4 -2.535 -6.931 -6.683 15 2HA GLY 4 2HA GLY 4 -0.878 -6.789 -7.079 16 HA PRO 5 HA PRO 5 -2.347 -10.517 -9.581 17 1HB PRO 5 2HB PRO 5 -0.309 -10.342 -11.527 18 2HB PRO 5 1HB PRO 5 -1.882 -9.536 -11.564 19 1HG PRO 5 2HG PRO 5 0.786 -8.387 -10.647 20 2HG PRO 5 1HG PRO 5 -0.453 -7.631 -11.680 21 1HD PRO 5 2HD PRO 5 -0.256 -7.035 -8.987 22 2HD PRO 5 1HD PRO 5 -1.852 -7.094 -9.753 23 H TYR 6 H TYR 6 0.550 -10.101 -7.761 24 HA TYR 6 HA TYR 6 0.709 -13.156 -7.552 25 1HB TYR 6 2HB TYR 6 3.185 -11.334 -7.454 26 2HB TYR 6 1HB TYR 6 3.150 -13.008 -6.973 27 HD1 TYR 6 HD1 TYR 6 3.299 -10.743 -9.862 28 HD2 TYR 6 HD2 TYR 6 2.676 -14.842 -8.709 29 HE1 TYR 6 HE1 TYR 6 3.726 -11.465 -12.170 30 HE2 TYR 6 HE2 TYR 6 3.107 -15.551 -11.023 31 HH TYR 6 HH TYR 6 3.867 -13.179 -13.576 32 HA HYP 7 HA HYP 7 -0.158 -10.974 -3.466 33 1HB HYP 7 1HB HYP 7 -2.344 -10.678 -4.333 34 2HB HYP 7 2HB HYP 7 -2.718 -11.756 -2.986 35 1HD HYP 7 1HD HYP 7 -1.251 -13.889 -6.233 36 2HD HYP 7 2HD HYP 7 -1.667 -12.261 -6.827 37 HOD HYP 7 HOD HYP 7 -4.481 -12.332 -4.885 38 HG HYP 7 HG HYP 7 -2.729 -13.732 -4.426 39 H ASN 8 H ASN 8 -1.358 -12.053 -1.354 40 HA ASN 8 HA ASN 8 -0.051 -14.746 -0.686 41 1HB ASN 8 1HB ASN 8 -1.408 -12.715 1.190 42 2HB ASN 8 2HB ASN 8 -0.965 -14.337 1.663 43 1HD2 ASN 8 2HD2 ASN 8 1.296 -14.876 1.838 44 2HD2 ASN 8 1HD2 ASN 8 2.548 -13.543 1.998 45 H ALA 9 H ALA 9 -3.247 -13.426 0.315 46 HA ALA 9 HA ALA 9 -4.636 -15.735 -1.119 47 1HB ALA 9 1HB ALA 9 -5.275 -15.519 1.280 48 2HB ALA 9 2HB ALA 9 -6.661 -15.127 0.237 49 3HB ALA 9 3HB ALA 9 -5.750 -13.819 1.032 50 H ALA 10 H ALA 10 -6.023 -12.547 -0.621 51 HA ALA 10 HA ALA 10 -5.168 -11.691 -3.379 52 1HB ALA 10 1HB ALA 10 -8.152 -11.469 -2.777 53 2HB ALA 10 2HB ALA 10 -7.241 -10.774 -4.145 54 3HB ALA 10 3HB ALA 10 -7.368 -12.537 -4.009 55 H CYS 11 H CYS 11 -3.987 -11.037 -1.299 56 HA CYS 11 HA CYS 11 -4.702 -8.435 -0.125 57 1HB CYS 11 2HB CYS 11 -2.967 -9.651 0.932 58 2HB CYS 11 1HB CYS 11 -2.067 -9.940 -0.556 59 H HIS 12 H HIS 12 -4.368 -6.331 -0.905 60 HA HIS 12 HA HIS 12 -4.851 -6.185 -3.824 61 1HB HIS 12 2HB HIS 12 -5.313 -4.417 -1.374 62 2HB HIS 12 1HB HIS 12 -5.191 -3.559 -2.851 63 HD1 HIS 12 HD1 HIS 12 -7.501 -3.229 -4.044 64 HD2 HIS 12 HD2 HIS 12 -7.171 -6.849 -1.745 65 HE1 HIS 12 HE1 HIS 12 -9.728 -4.522 -4.072 66 HE2 HIS 12 HE2 HIS 12 -9.637 -6.711 -2.715 67 HA HYP 13 HA HYP 13 -1.184 -4.019 -5.509 68 1HB HYP 13 1HB HYP 13 -2.985 -2.097 -6.980 69 2HB HYP 13 2HB HYP 13 -1.780 -3.203 -7.606 70 1HD HYP 13 1HD HYP 13 -5.178 -4.021 -5.528 71 2HD HYP 13 2HD HYP 13 -4.567 -5.649 -5.914 72 HOD HYP 13 HOD HYP 13 -3.004 -4.742 -8.833 73 HG HYP 13 HG HYP 13 -4.579 -3.538 -7.742 74 H CYS 14 H CYS 14 -3.850 -1.749 -4.750 75 HA CYS 14 HA CYS 14 -2.079 0.254 -3.366 76 1HB CYS 14 1HB CYS 14 -4.082 0.935 -4.693 77 2HB CYS 14 2HB CYS 14 -5.164 0.073 -3.565 78 H GLY 15 H GLY 15 -2.895 -2.828 -2.353 79 1HA GLY 15 2HA GLY 15 -3.712 -2.346 0.455 80 2HA GLY 15 1HA GLY 15 -3.062 -3.813 -0.227 81 H CYS 16 H CYS 16 -0.650 -1.960 -1.154 82 HA CYS 16 HA CYS 16 1.184 -2.920 0.768 83 1HB CYS 16 2HB CYS 16 1.783 -0.703 -1.316 84 2HB CYS 16 1HB CYS 16 2.819 -2.055 -0.822 85 H LYS 17 H LYS 17 2.908 -1.771 1.770 86 HA LYS 17 HA LYS 17 2.160 0.734 3.342 87 1HB LYS 17 2HB LYS 17 4.519 -1.208 3.519 88 2HB LYS 17 1HB LYS 17 4.378 0.278 4.460 89 1HG LYS 17 2HG LYS 17 2.176 -0.537 5.419 90 2HG LYS 17 1HG LYS 17 2.344 -2.042 4.514 91 1HD LYS 17 1HD LYS 17 4.503 -2.555 5.772 92 2HD LYS 17 2HD LYS 17 4.351 -1.032 6.632 93 1HE LYS 17 2HE LYS 17 3.602 -2.730 8.150 94 2HE LYS 17 1HE LYS 17 2.164 -1.829 7.676 95 1HZ LYS 17 1HZ LYS 17 3.002 -4.468 6.554 96 2HZ LYS 17 2HZ LYS 17 1.647 -3.638 6.096 97 3HZ LYS 17 3HZ LYS 17 1.780 -4.217 7.637 98 H VAL 18 H VAL 18 5.013 -0.537 1.974 99 HA VAL 18 HA VAL 18 5.775 2.112 0.641 100 HB VAL 18 HB VAL 18 7.357 1.435 2.393 101 1HG1 VAL 18 1HG1 VAL 18 7.310 -1.076 2.254 102 2HG1 VAL 18 2HG1 VAL 18 8.164 -1.013 0.695 103 3HG1 VAL 18 3HG1 VAL 18 8.961 -0.435 2.179 104 1HG2 VAL 18 1HG2 VAL 18 8.121 2.849 0.498 105 2HG2 VAL 18 2HG2 VAL 18 8.653 1.401 -0.392 106 3HG2 VAL 18 3HG2 VAL 18 9.436 1.847 1.145 107 H GLY 19 H GLY 19 5.923 2.147 -1.491 108 1HA GLY 19 2HA GLY 19 6.374 1.394 -3.740 109 2HA GLY 19 1HA GLY 19 6.506 -0.256 -3.186 110 H ARG 20 H ARG 20 4.219 2.273 -4.086 111 HA ARG 20 HA ARG 20 2.027 0.194 -4.641 112 1HB ARG 20 1HB ARG 20 1.859 3.196 -3.993 113 2HB ARG 20 2HB ARG 20 0.557 2.231 -4.608 114 1HG ARG 20 1HG ARG 20 0.017 2.232 -2.417 115 2HG ARG 20 2HG ARG 20 0.790 0.693 -2.589 116 1HD ARG 20 1HD ARG 20 1.622 1.643 -0.530 117 2HD ARG 20 2HD ARG 20 2.970 1.793 -1.645 118 HE ARG 20 HE ARG 20 1.030 4.142 -1.242 119 1HH1 ARG 20 1HH1 ARG 20 4.369 2.953 -0.936 120 2HH1 ARG 20 2HH1 ARG 20 4.944 4.650 -0.537 121 1HH2 ARG 20 2HH2 ARG 20 1.796 6.014 -0.751 122 2HH2 ARG 20 1HH2 ARG 20 3.588 6.259 -0.440 123 HA HYP 21 HA HYP 21 1.341 1.434 -8.975 124 1HB HYP 21 1HB HYP 21 -1.060 1.320 -9.405 125 2HB HYP 21 2HB HYP 21 -1.462 2.174 -7.907 126 1HD HYP 21 1HD HYP 21 -0.332 0.629 -5.474 127 2HD HYP 21 2HD HYP 21 0.676 -0.607 -6.200 128 HOD HYP 21 HOD HYP 21 -1.106 -0.981 -9.103 129 HG HYP 21 HG HYP 21 -1.879 -0.020 -7.183 130 HA HYP 22 HA HYP 22 1.535 5.984 -9.525 131 1HB HYP 22 1HB HYP 22 0.878 6.600 -11.766 132 2HB HYP 22 2HB HYP 22 -0.626 5.677 -11.687 133 1HD HYP 22 1HD HYP 22 -0.194 2.852 -11.144 134 2HD HYP 22 2HD HYP 22 1.549 2.549 -10.897 135 HOD HYP 22 HOD HYP 22 2.811 4.821 -11.170 136 HG HYP 22 HG HYP 22 0.693 4.157 -12.946 137 H TYR 23 H TYR 23 -1.777 4.800 -9.250 138 HA TYR 23 HA TYR 23 -2.877 7.455 -8.371 139 1HB TYR 23 1HB TYR 23 -5.046 6.307 -8.179 140 2HB TYR 23 2HB TYR 23 -4.349 6.110 -9.750 141 HD1 TYR 23 HD1 TYR 23 -5.333 4.314 -6.642 142 HD2 TYR 23 HD2 TYR 23 -3.545 3.837 -10.528 143 HE1 TYR 23 HE1 TYR 23 -5.497 1.876 -6.428 144 HE2 TYR 23 HE2 TYR 23 -3.717 1.404 -10.303 145 HH TYR 23 HH TYR 23 -4.325 -0.299 -8.999 146 H CYS 24 H CYS 24 -1.509 4.716 -6.795 147 HA CYS 24 HA CYS 24 -2.827 5.351 -4.120 148 1HB CYS 24 1HB CYS 24 -3.034 2.986 -5.041 149 2HB CYS 24 2HB CYS 24 -1.295 2.781 -4.892 150 H ASP 25 H ASP 25 0.055 5.578 -5.793 151 HA ASP 25 HA ASP 25 1.737 6.184 -3.333 152 1HB ASP 25 2HB ASP 25 2.661 4.645 -5.361 153 2HB ASP 25 1HB ASP 25 2.907 6.151 -6.186 154 HD2 ASP 25 HD2 ASP 25 3.995 3.985 -4.060 155 H ARG 26 H ARG 26 0.492 7.582 -6.358 156 HA ARG 26 HA ARG 26 1.474 10.363 -5.812 157 1HB ARG 26 1HB ARG 26 1.015 9.518 -8.081 158 2HB ARG 26 2HB ARG 26 -0.706 9.355 -7.706 159 1HG ARG 26 2HG ARG 26 -0.819 11.841 -7.223 160 2HG ARG 26 1HG ARG 26 0.912 11.982 -7.543 161 1HD ARG 26 2HD ARG 26 0.526 11.199 -9.940 162 2HD ARG 26 1HD ARG 26 -1.212 11.089 -9.613 163 HE ARG 26 HE ARG 26 -0.345 13.796 -8.934 164 1HH1 ARG 26 1HH2 ARG 26 -0.779 11.776 -11.829 165 2HH1 ARG 26 2HH2 ARG 26 -1.064 13.274 -12.849 166 1HH2 ARG 26 1HH1 ARG 26 -0.683 15.430 -10.190 167 2HH2 ARG 26 2HH1 ARG 26 -1.014 15.203 -11.981 168 HA HYP 27 HA HYP 27 -1.391 11.037 -2.386 169 1HB HYP 27 1HB HYP 27 -1.581 13.391 -1.905 170 2HB HYP 27 2HB HYP 27 -1.787 13.828 -3.611 171 1HD HYP 27 1HD HYP 27 1.496 11.765 -4.153 172 2HD HYP 27 2HD HYP 27 0.578 12.806 -5.272 173 HOD HYP 27 HOD HYP 27 0.667 13.433 -1.279 174 HG HYP 27 HG HYP 27 0.531 14.270 -3.394 175 H SER 28 H SER 28 -3.099 9.753 -2.627 176 HA SER 28 HA SER 28 -5.279 10.161 -4.483 177 1HB SER 28 2HB SER 28 -4.497 7.930 -3.681 178 2HB SER 28 1HB SER 28 -5.180 8.243 -2.083 179 HG SER 28 HG SER 28 -7.211 8.516 -3.119 180 H GLY 29 H GLY 29 -5.619 10.180 -0.868 181 1HA GLY 29 2HA GLY 29 -7.104 12.691 -0.737 182 2HA GLY 29 1HA GLY 29 -8.293 11.397 -0.898 183 H GLY 30 H GLY 30 -8.633 10.031 0.847 184 1HA GLY 30 2HA GLY 30 -6.937 9.715 3.205 185 2HA GLY 30 1HA GLY 30 -8.069 11.024 3.553 186 1HN NH2 31 1HN NH2 31 -10.244 10.467 3.957 187 2HN NH2 31 2HN NH2 31 -10.829 8.729 4.021 Start of MODEL 5 1 1H GLY 1 1H GLY 1 6.295 -7.749 5.055 2 2H GLY 1 2H GLY 1 5.556 -6.480 4.339 3 1HA GLY 1 2HA GLY 1 5.591 -8.409 2.878 4 2HA GLY 1 1HA GLY 1 4.735 -9.323 4.116 5 H CYS 2 H CYS 2 4.407 -7.086 1.538 6 HA CYS 2 HA CYS 2 1.514 -6.371 2.124 7 1HB CYS 2 2HB CYS 2 3.010 -4.543 1.356 8 2HB CYS 2 1HB CYS 2 3.442 -5.436 -0.105 9 H CYS 3 H CYS 3 2.232 -6.881 -1.197 10 HA CYS 3 HA CYS 3 1.585 -9.763 -1.295 11 1HB CYS 3 1HB CYS 3 -0.708 -8.786 -1.015 12 2HB CYS 3 2HB CYS 3 -0.557 -7.948 -2.571 13 H GLY 4 H GLY 4 1.116 -7.075 -3.620 14 1HA GLY 4 1HA GLY 4 2.243 -6.645 -5.756 15 2HA GLY 4 2HA GLY 4 3.626 -7.254 -4.925 16 HA PRO 5 HA PRO 5 2.934 -10.415 -8.371 17 1HB PRO 5 2HB PRO 5 5.620 -10.971 -8.839 18 2HB PRO 5 1HB PRO 5 4.738 -9.604 -9.534 19 1HG PRO 5 1HG PRO 5 6.505 -9.602 -7.040 20 2HG PRO 5 2HG PRO 5 6.572 -8.474 -8.419 21 1HD PRO 5 2HD PRO 5 5.215 -7.825 -6.095 22 2HD PRO 5 1HD PRO 5 4.566 -7.310 -7.663 23 H TYR 6 H TYR 6 4.225 -10.728 -5.176 24 HA TYR 6 HA TYR 6 3.982 -13.791 -5.299 25 1HB TYR 6 2HB TYR 6 6.314 -12.330 -3.928 26 2HB TYR 6 1HB TYR 6 5.916 -14.012 -3.703 27 HD1 TYR 6 HD1 TYR 6 6.091 -15.656 -5.675 28 HD2 TYR 6 HD2 TYR 6 7.543 -11.614 -5.955 29 HE1 TYR 6 HE1 TYR 6 7.429 -16.264 -7.643 30 HE2 TYR 6 HE2 TYR 6 8.871 -12.234 -7.925 31 HH TYR 6 HH TYR 6 8.845 -15.563 -9.204 32 HA HYP 7 HA HYP 7 1.114 -11.692 -2.360 33 1HB HYP 7 1HB HYP 7 0.014 -14.559 -2.145 34 2HB HYP 7 2HB HYP 7 -0.889 -13.035 -2.200 35 1HD HYP 7 1HD HYP 7 1.786 -14.899 -4.497 36 2HD HYP 7 2HD HYP 7 1.712 -13.400 -5.459 37 HOD HYP 7 HOD HYP 7 0.008 -11.782 -4.408 38 HG HYP 7 HG HYP 7 -0.574 -14.564 -4.447 39 H ASN 8 H ASN 8 0.642 -11.457 -0.218 40 HA ASN 8 HA ASN 8 1.465 -13.526 1.800 41 1HB ASN 8 1HB ASN 8 3.547 -12.078 1.412 42 2HB ASN 8 2HB ASN 8 2.656 -10.672 1.939 43 1HD2 ASN 8 1HD2 ASN 8 3.870 -13.845 2.994 44 2HD2 ASN 8 2HD2 ASN 8 3.986 -13.385 4.767 45 H ALA 9 H ALA 9 0.901 -10.366 3.014 46 HA ALA 9 HA ALA 9 -1.664 -11.385 4.210 47 1HB ALA 9 1HB ALA 9 -1.316 -9.594 5.893 48 2HB ALA 9 2HB ALA 9 0.043 -8.930 4.951 49 3HB ALA 9 3HB ALA 9 0.161 -10.555 5.677 50 H ALA 10 H ALA 10 -0.887 -8.631 2.080 51 HA ALA 10 HA ALA 10 -3.660 -7.420 2.592 52 1HB ALA 10 1HB ALA 10 -0.990 -5.911 2.139 53 2HB ALA 10 2HB ALA 10 -1.875 -6.008 3.684 54 3HB ALA 10 3HB ALA 10 -2.594 -5.171 2.286 55 H CYS 11 H CYS 11 -3.637 -9.160 0.754 56 HA CYS 11 HA CYS 11 -2.626 -8.342 -1.788 57 1HB CYS 11 2HB CYS 11 -3.215 -10.780 -0.994 58 2HB CYS 11 1HB CYS 11 -4.735 -10.486 -1.880 59 H HIS 12 H HIS 12 -3.115 -6.530 -2.346 60 HA HIS 12 HA HIS 12 -5.622 -5.887 -3.908 61 1HB HIS 12 2HB HIS 12 -4.493 -4.168 -1.569 62 2HB HIS 12 1HB HIS 12 -5.520 -3.485 -2.783 63 HD1 HIS 12 HD1 HIS 12 -8.180 -4.620 -2.915 64 HD2 HIS 12 HD2 HIS 12 -5.670 -5.370 0.494 65 HE1 HIS 12 HE1 HIS 12 -9.588 -5.464 -0.929 66 HE2 HIS 12 HE2 HIS 12 -8.174 -5.945 1.173 67 HA HYP 13 HA HYP 13 -2.355 -4.106 -6.668 68 1HB HYP 13 1HB HYP 13 -4.038 -1.583 -6.813 69 2HB HYP 13 2HB HYP 13 -3.242 -2.462 -8.099 70 1HD HYP 13 1HD HYP 13 -6.011 -3.487 -5.307 71 2HD HYP 13 2HD HYP 13 -5.795 -5.082 -6.072 72 HOD HYP 13 HOD HYP 13 -5.775 -4.885 -8.362 73 HG HYP 13 HG HYP 13 -5.962 -2.752 -7.591 74 H CYS 14 H CYS 14 -3.632 -1.632 -4.406 75 HA CYS 14 HA CYS 14 -0.818 -1.251 -3.392 76 1HB CYS 14 2HB CYS 14 -1.223 0.882 -4.494 77 2HB CYS 14 1HB CYS 14 -2.697 1.191 -3.655 78 H GLY 15 H GLY 15 -1.759 -3.122 -2.290 79 1HA GLY 15 2HA GLY 15 -3.374 -2.517 0.207 80 2HA GLY 15 1HA GLY 15 -2.526 -4.008 -0.138 81 H CYS 16 H CYS 16 -0.179 -1.928 -0.776 82 HA CYS 16 HA CYS 16 1.409 -2.481 1.535 83 1HB CYS 16 2HB CYS 16 1.973 -0.683 -0.981 84 2HB CYS 16 1HB CYS 16 3.156 -1.587 0.009 85 H LYS 17 H LYS 17 3.034 -1.070 2.284 86 HA LYS 17 HA LYS 17 2.154 1.671 3.299 87 1HB LYS 17 2HB LYS 17 4.515 -0.143 4.017 88 2HB LYS 17 1HB LYS 17 4.318 1.510 4.602 89 1HG LYS 17 1HG LYS 17 2.077 0.890 5.610 90 2HG LYS 17 2HG LYS 17 2.297 -0.776 5.070 91 1HD LYS 17 2HD LYS 17 4.381 -0.972 6.494 92 2HD LYS 17 1HD LYS 17 4.192 0.706 7.016 93 1HE LYS 17 1HE LYS 17 1.960 0.128 8.088 94 2HE LYS 17 2HE LYS 17 2.145 -1.554 7.568 95 1HZ LYS 17 1HZ LYS 17 4.175 -1.686 8.918 96 2HZ LYS 17 2HZ LYS 17 4.004 -0.117 9.404 97 3HZ LYS 17 3HZ LYS 17 2.883 -1.247 9.848 98 H VAL 18 H VAL 18 4.967 0.074 2.135 99 HA VAL 18 HA VAL 18 5.671 2.358 0.222 100 HB VAL 18 HB VAL 18 7.322 2.217 2.040 101 1HG1 VAL 18 1HG1 VAL 18 8.201 -0.548 0.990 102 2HG1 VAL 18 2HG1 VAL 18 7.389 -0.246 2.543 103 3HG1 VAL 18 3HG1 VAL 18 9.005 0.418 2.251 104 1HG2 VAL 18 1HG2 VAL 18 9.349 2.378 0.656 105 2HG2 VAL 18 2HG2 VAL 18 8.550 1.526 -0.690 106 3HG2 VAL 18 3HG2 VAL 18 7.974 3.131 -0.177 107 H GLY 19 H GLY 19 5.782 1.839 -1.865 108 1HA GLY 19 2HA GLY 19 6.308 0.463 -3.817 109 2HA GLY 19 1HA GLY 19 6.264 -0.992 -2.852 110 H ARG 20 H ARG 20 4.231 1.474 -4.340 111 HA ARG 20 HA ARG 20 2.047 -0.467 -5.048 112 1HB ARG 20 2HB ARG 20 0.349 0.663 -3.735 113 2HB ARG 20 1HB ARG 20 1.591 0.031 -2.676 114 1HG ARG 20 1HG ARG 20 1.099 2.911 -3.490 115 2HG ARG 20 2HG ARG 20 0.580 2.200 -2.026 116 1HD ARG 20 2HD ARG 20 3.054 1.881 -1.351 117 2HD ARG 20 1HD ARG 20 3.505 2.766 -2.820 118 HE ARG 20 HE ARG 20 1.587 4.263 -1.098 119 1HH1 ARG 20 1HH2 ARG 20 5.043 3.657 -1.688 120 2HH1 ARG 20 2HH2 ARG 20 5.495 5.181 -0.771 121 1HH2 ARG 20 1HH1 ARG 20 2.230 5.978 -0.036 122 2HH2 ARG 20 2HH1 ARG 20 4.009 6.404 0.100 123 HA HYP 21 HA HYP 21 1.103 2.031 -8.669 124 1HB HYP 21 1HB HYP 21 -1.359 2.078 -9.017 125 2HB HYP 21 2HB HYP 21 -1.657 2.226 -7.279 126 1HD HYP 21 1HD HYP 21 0.859 -0.770 -7.148 127 2HD HYP 21 2HD HYP 21 -0.206 -0.269 -5.855 128 HOD HYP 21 HOD HYP 21 -0.571 -1.307 -8.882 129 HG HYP 21 HG HYP 21 -1.899 -0.107 -7.467 130 HA HYP 22 HA HYP 22 1.439 6.488 -8.251 131 1HB HYP 22 1HB HYP 22 0.711 7.603 -10.260 132 2HB HYP 22 2HB HYP 22 -0.800 6.690 -10.346 133 1HD HYP 22 1HD HYP 22 -0.374 3.799 -10.440 134 2HD HYP 22 2HD HYP 22 1.369 3.473 -10.236 135 HOD HYP 22 HOD HYP 22 2.635 5.724 -10.062 136 HG HYP 22 HG HYP 22 0.493 5.459 -11.915 137 H TYR 23 H TYR 23 -2.044 5.618 -8.237 138 HA TYR 23 HA TYR 23 -2.972 8.111 -6.939 139 1HB TYR 23 1HB TYR 23 -5.128 6.935 -6.650 140 2HB TYR 23 2HB TYR 23 -4.543 6.890 -8.277 141 HD1 TYR 23 HD1 TYR 23 -3.959 4.734 -9.371 142 HD2 TYR 23 HD2 TYR 23 -5.130 4.780 -5.230 143 HE1 TYR 23 HE1 TYR 23 -4.141 2.288 -9.390 144 HE2 TYR 23 HE2 TYR 23 -5.286 2.331 -5.256 145 HH TYR 23 HH TYR 23 -4.605 0.462 -8.215 146 H CYS 24 H CYS 24 -1.462 5.353 -5.627 147 HA CYS 24 HA CYS 24 -2.604 5.645 -2.832 148 1HB CYS 24 2HB CYS 24 -2.443 3.340 -3.991 149 2HB CYS 24 1HB CYS 24 -0.812 3.387 -3.999 150 H ASP 25 H ASP 25 0.149 6.296 -4.654 151 HA ASP 25 HA ASP 25 1.850 7.122 -2.265 152 1HB ASP 25 2HB ASP 25 2.942 5.795 -4.151 153 2HB ASP 25 1HB ASP 25 2.597 7.098 -5.271 154 HD2 ASP 25 HD2 ASP 25 5.252 9.062 -4.306 155 H ARG 26 H ARG 26 -0.055 8.511 -4.913 156 HA ARG 26 HA ARG 26 0.680 11.367 -4.339 157 1HB ARG 26 2HB ARG 26 -1.684 10.068 -5.823 158 2HB ARG 26 1HB ARG 26 -1.606 11.790 -5.502 159 1HG ARG 26 1HG ARG 26 0.556 11.994 -6.732 160 2HG ARG 26 2HG ARG 26 0.578 10.278 -7.079 161 1HD ARG 26 2HD ARG 26 -1.608 12.248 -8.049 162 2HD ARG 26 1HD ARG 26 -0.195 11.764 -8.990 163 HE ARG 26 HE ARG 26 -1.597 9.324 -8.234 164 1HH1 ARG 26 1HH2 ARG 26 -2.083 12.134 -10.357 165 2HH1 ARG 26 2HH2 ARG 26 -3.145 11.129 -11.465 166 1HH2 ARG 26 1HH1 ARG 26 -2.820 8.277 -9.563 167 2HH2 ARG 26 2HH1 ARG 26 -3.534 9.094 -11.043 168 HA HYP 27 HA HYP 27 -1.688 12.441 -0.814 169 1HB HYP 27 1HB HYP 27 -2.650 14.631 -0.901 170 2HB HYP 27 2HB HYP 27 -3.500 14.317 -2.425 171 1HD HYP 27 1HD HYP 27 -1.665 13.508 -4.597 172 2HD HYP 27 2HD HYP 27 -0.033 13.383 -3.906 173 HOD HYP 27 HOD HYP 27 -0.531 15.564 -1.289 174 HG HYP 27 HG HYP 27 -1.648 15.509 -3.275 175 H SER 28 H SER 28 -2.712 10.561 -0.242 176 HA SER 28 HA SER 28 -5.294 9.699 -1.188 177 1HB SER 28 2HB SER 28 -5.197 7.947 0.540 178 2HB SER 28 1HB SER 28 -3.681 8.098 -0.339 179 HG SER 28 HG SER 28 -4.259 9.207 2.212 180 H GLY 29 H GLY 29 -4.621 11.022 2.126 181 1HA GLY 29 2HA GLY 29 -7.037 12.681 2.206 182 2HA GLY 29 1HA GLY 29 -7.427 11.124 2.939 183 H GLY 30 H GLY 30 -5.695 14.084 3.328 184 1HA GLY 30 1HA GLY 30 -5.571 13.894 6.254 185 2HA GLY 30 2HA GLY 30 -3.987 13.451 5.614 186 1HN NH2 31 1HN NH2 31 -6.162 16.096 6.189 187 2HN NH2 31 2HN NH2 31 -5.035 17.410 5.583 Start of MODEL 6 1 1H GLY 1 1H GLY 1 8.567 -7.312 2.519 2 2H GLY 1 2H GLY 1 7.374 -6.430 1.831 3 1HA GLY 1 1HA GLY 1 6.945 -8.803 1.610 4 2HA GLY 1 2HA GLY 1 7.015 -8.947 3.364 5 H CYS 2 H CYS 2 5.073 -7.951 0.663 6 HA CYS 2 HA CYS 2 2.645 -7.470 2.478 7 1HB CYS 2 1HB CYS 2 3.401 -5.276 1.723 8 2HB CYS 2 2HB CYS 2 3.647 -5.804 0.062 9 H CYS 3 H CYS 3 1.889 -7.331 -0.767 10 HA CYS 3 HA CYS 3 1.882 -10.178 -1.409 11 1HB CYS 3 2HB CYS 3 -0.049 -10.311 0.141 12 2HB CYS 3 1HB CYS 3 -0.942 -9.125 -0.811 13 H GLY 4 H GLY 4 -0.597 -7.719 -2.498 14 1HA GLY 4 1HA GLY 4 0.349 -6.174 -4.395 15 2HA GLY 4 2HA GLY 4 0.970 -7.613 -5.156 16 HA PRO 5 HA PRO 5 -3.080 -6.037 -7.102 17 1HB PRO 5 2HB PRO 5 -1.557 -7.357 -9.425 18 2HB PRO 5 1HB PRO 5 -2.649 -5.956 -9.484 19 1HG PRO 5 2HG PRO 5 0.040 -5.567 -9.371 20 2HG PRO 5 1HG PRO 5 -1.034 -4.531 -8.405 21 1HD PRO 5 1HD PRO 5 0.726 -6.807 -7.431 22 2HD PRO 5 2HD PRO 5 0.222 -5.323 -6.590 23 H TYR 6 H TYR 6 -2.004 -9.382 -7.062 24 HA TYR 6 HA TYR 6 -4.428 -10.312 -8.648 25 1HB TYR 6 2HB TYR 6 -2.018 -11.929 -7.642 26 2HB TYR 6 1HB TYR 6 -3.370 -12.600 -8.513 27 HD1 TYR 6 HD1 TYR 6 -0.292 -10.586 -8.857 28 HD2 TYR 6 HD2 TYR 6 -3.795 -11.970 -10.942 29 HE1 TYR 6 HE1 TYR 6 0.749 -10.008 -11.005 30 HE2 TYR 6 HE2 TYR 6 -2.739 -11.389 -13.084 31 HH TYR 6 HH TYR 6 -0.947 -10.554 -14.095 32 HA HYP 7 HA HYP 7 -6.226 -10.599 -4.444 33 1HB HYP 7 1HB HYP 7 -8.133 -9.697 -5.291 34 2HB HYP 7 2HB HYP 7 -8.839 -11.293 -4.999 35 1HD HYP 7 1HD HYP 7 -6.562 -11.204 -8.528 36 2HD HYP 7 2HD HYP 7 -6.645 -9.558 -7.829 37 HOD HYP 7 HOD HYP 7 -9.135 -10.189 -8.570 38 HG HYP 7 HG HYP 7 -8.459 -11.977 -7.319 39 H ASN 8 H ASN 8 -6.286 -12.005 -2.861 40 HA ASN 8 HA ASN 8 -7.533 -14.675 -3.083 41 1HB ASN 8 1HB ASN 8 -5.648 -16.058 -2.224 42 2HB ASN 8 2HB ASN 8 -5.509 -15.567 -3.880 43 1HD2 ASN 8 2HD2 ASN 8 -3.797 -14.108 -4.479 44 2HD2 ASN 8 1HD2 ASN 8 -2.349 -13.893 -3.372 45 H ALA 9 H ALA 9 -5.120 -13.522 -0.684 46 HA ALA 9 HA ALA 9 -7.292 -13.649 1.460 47 1HB ALA 9 1HB ALA 9 -4.228 -13.600 1.756 48 2HB ALA 9 2HB ALA 9 -5.411 -13.717 3.082 49 3HB ALA 9 3HB ALA 9 -5.293 -15.022 1.885 50 H ALA 10 H ALA 10 -4.500 -11.511 1.702 51 HA ALA 10 HA ALA 10 -6.318 -9.024 1.531 52 1HB ALA 10 1HB ALA 10 -5.328 -9.322 3.838 53 2HB ALA 10 2HB ALA 10 -4.670 -7.885 3.015 54 3HB ALA 10 3HB ALA 10 -3.687 -9.357 3.126 55 H CYS 11 H CYS 11 -5.497 -10.128 -0.780 56 HA CYS 11 HA CYS 11 -2.883 -8.853 -1.622 57 1HB CYS 11 2HB CYS 11 -3.591 -11.400 -1.847 58 2HB CYS 11 1HB CYS 11 -4.378 -10.857 -3.321 59 H HIS 12 H HIS 12 -3.407 -6.799 -1.857 60 HA HIS 12 HA HIS 12 -5.401 -5.949 -4.027 61 1HB HIS 12 1HB HIS 12 -4.588 -4.560 -1.387 62 2HB HIS 12 2HB HIS 12 -5.522 -3.774 -2.619 63 HD1 HIS 12 HD1 HIS 12 -8.099 -4.918 -3.156 64 HD2 HIS 12 HD2 HIS 12 -5.902 -6.162 0.324 65 HE1 HIS 12 HE1 HIS 12 -9.654 -6.123 -1.491 66 HE2 HIS 12 HE2 HIS 12 -8.430 -6.912 0.637 67 HA HYP 13 HA HYP 13 -1.941 -4.033 -6.214 68 1HB HYP 13 1HB HYP 13 -3.030 -3.144 -7.962 69 2HB HYP 13 2HB HYP 13 -3.213 -1.614 -7.140 70 1HD HYP 13 1HD HYP 13 -5.180 -5.056 -6.378 71 2HD HYP 13 2HD HYP 13 -5.887 -3.950 -5.165 72 HOD HYP 13 HOD HYP 13 -5.151 -3.976 -8.408 73 HG HYP 13 HG HYP 13 -5.351 -2.022 -6.352 74 H CYS 14 H CYS 14 -3.614 -1.505 -4.260 75 HA CYS 14 HA CYS 14 -0.886 -0.810 -3.085 76 1HB CYS 14 2HB CYS 14 -1.683 1.078 -4.525 77 2HB CYS 14 1HB CYS 14 -3.111 1.283 -3.539 78 H GLY 15 H GLY 15 -2.099 -2.892 -2.033 79 1HA GLY 15 1HA GLY 15 -3.653 -2.135 0.456 80 2HA GLY 15 2HA GLY 15 -3.025 -3.724 0.053 81 H CYS 16 H CYS 16 -0.342 -2.779 -0.555 82 HA CYS 16 HA CYS 16 1.110 -2.912 1.936 83 1HB CYS 16 2HB CYS 16 2.095 -1.694 -0.750 84 2HB CYS 16 1HB CYS 16 3.038 -2.623 0.438 85 H LYS 17 H LYS 17 2.775 -1.375 2.582 86 HA LYS 17 HA LYS 17 1.854 1.476 2.973 87 1HB LYS 17 2HB LYS 17 2.921 -0.040 4.741 88 2HB LYS 17 1HB LYS 17 4.440 0.125 3.872 89 1HG LYS 17 1HG LYS 17 4.353 1.761 5.699 90 2HG LYS 17 2HG LYS 17 4.358 2.626 4.161 91 1HD LYS 17 1HD LYS 17 1.858 2.933 4.302 92 2HD LYS 17 2HD LYS 17 1.813 2.009 5.808 93 1HE LYS 17 1HE LYS 17 3.278 3.753 6.936 94 2HE LYS 17 2HE LYS 17 3.330 4.684 5.431 95 1HZ LYS 17 1HZ LYS 17 0.854 4.049 6.964 96 2HZ LYS 17 2HZ LYS 17 0.903 4.917 5.559 97 3HZ LYS 17 3HZ LYS 17 1.621 5.511 6.924 98 H VAL 18 H VAL 18 4.890 0.081 2.180 99 HA VAL 18 HA VAL 18 5.600 2.329 0.242 100 HB VAL 18 HB VAL 18 7.940 1.528 0.342 101 1HG1 VAL 18 1HG2 VAL 18 6.814 2.261 3.107 102 2HG1 VAL 18 2HG2 VAL 18 8.491 2.479 2.549 103 3HG1 VAL 18 3HG2 VAL 18 7.179 3.402 1.791 104 1HG2 VAL 18 1HG1 VAL 18 7.700 -0.873 1.003 105 2HG2 VAL 18 2HG1 VAL 18 8.787 -0.001 2.098 106 3HG2 VAL 18 3HG1 VAL 18 7.128 -0.389 2.616 107 H GLY 19 H GLY 19 6.065 2.024 -1.843 108 1HA GLY 19 2HA GLY 19 6.547 0.929 -3.921 109 2HA GLY 19 1HA GLY 19 6.621 -0.611 -3.099 110 H ARG 20 H ARG 20 4.299 1.824 -4.260 111 HA ARG 20 HA ARG 20 2.431 -0.320 -5.304 112 1HB ARG 20 2HB ARG 20 0.557 0.407 -4.096 113 2HB ARG 20 1HB ARG 20 1.805 0.051 -2.943 114 1HG ARG 20 2HG ARG 20 0.778 2.834 -3.780 115 2HG ARG 20 1HG ARG 20 0.339 1.879 -2.376 116 1HD ARG 20 2HD ARG 20 1.753 3.398 -1.398 117 2HD ARG 20 1HD ARG 20 2.813 2.000 -1.595 118 HE ARG 20 HE ARG 20 3.129 3.684 -3.951 119 1HH1 ARG 20 2HH1 ARG 20 3.874 3.854 -0.479 120 2HH1 ARG 20 1HH1 ARG 20 5.382 4.837 -0.836 121 1HH2 ARG 20 2HH2 ARG 20 4.874 4.796 -4.241 122 2HH2 ARG 20 1HH2 ARG 20 5.908 5.334 -2.823 123 HA HYP 21 HA HYP 21 1.191 1.871 -8.845 124 1HB HYP 21 1HB HYP 21 -1.236 1.879 -9.176 125 2HB HYP 21 2HB HYP 21 -1.544 2.357 -7.499 126 1HD HYP 21 1HD HYP 21 -0.078 0.055 -5.638 127 2HD HYP 21 2HD HYP 21 0.869 -0.688 -6.893 128 HOD HYP 21 HOD HYP 21 0.131 -0.331 -9.157 129 HG HYP 21 HG HYP 21 -1.876 0.085 -7.188 130 HA HYP 22 HA HYP 22 1.482 6.427 -8.781 131 1HB HYP 22 1HB HYP 22 0.967 7.267 -10.979 132 2HB HYP 22 2HB HYP 22 -0.499 6.294 -11.129 133 1HD HYP 22 1HD HYP 22 -0.004 3.440 -10.846 134 2HD HYP 22 2HD HYP 22 1.720 3.188 -10.456 135 HOD HYP 22 HOD HYP 22 2.852 6.140 -11.845 136 HG HYP 22 HG HYP 22 0.985 4.957 -12.410 137 H TYR 23 H TYR 23 -1.878 5.239 -8.867 138 HA TYR 23 HA TYR 23 -3.081 7.864 -8.138 139 1HB TYR 23 1HB TYR 23 -5.221 6.658 -7.979 140 2HB TYR 23 2HB TYR 23 -4.417 6.346 -9.479 141 HD1 TYR 23 HD1 TYR 23 -3.699 4.040 -10.080 142 HD2 TYR 23 HD2 TYR 23 -5.361 4.809 -6.185 143 HE1 TYR 23 HE1 TYR 23 -3.861 1.626 -9.662 144 HE2 TYR 23 HE2 TYR 23 -5.481 2.392 -5.768 145 HH TYR 23 HH TYR 23 -4.440 0.033 -8.226 146 H CYS 24 H CYS 24 -1.731 5.315 -6.264 147 HA CYS 24 HA CYS 24 -3.275 5.908 -3.750 148 1HB CYS 24 1HB CYS 24 -2.842 3.569 -4.495 149 2HB CYS 24 2HB CYS 24 -1.110 3.813 -4.481 150 H ASP 25 H ASP 25 -0.260 6.588 -5.113 151 HA ASP 25 HA ASP 25 0.828 7.898 -2.583 152 1HB ASP 25 2HB ASP 25 2.381 6.254 -3.854 153 2HB ASP 25 1HB ASP 25 2.418 7.390 -5.183 154 HD2 ASP 25 HD2 ASP 25 2.957 7.013 -1.832 155 H ARG 26 H ARG 26 -0.357 8.541 -5.829 156 HA ARG 26 HA ARG 26 0.259 11.464 -5.888 157 1HB ARG 26 1HB ARG 26 -0.168 10.105 -7.876 158 2HB ARG 26 2HB ARG 26 -1.847 9.837 -7.385 159 1HG ARG 26 2HG ARG 26 -2.244 12.340 -7.435 160 2HG ARG 26 1HG ARG 26 -0.553 12.600 -7.872 161 1HD ARG 26 2HD ARG 26 -0.911 11.276 -10.023 162 2HD ARG 26 1HD ARG 26 -2.614 11.049 -9.587 163 HE ARG 26 HE ARG 26 -2.059 13.917 -9.551 164 1HH1 ARG 26 2HH2 ARG 26 -2.323 11.277 -11.920 165 2HH1 ARG 26 1HH2 ARG 26 -2.814 12.475 -13.220 166 1HH2 ARG 26 1HH1 ARG 26 -2.626 15.188 -11.108 167 2HH2 ARG 26 2HH1 ARG 26 -2.973 14.539 -12.789 168 HA HYP 27 HA HYP 27 -2.602 12.130 -2.394 169 1HB HYP 27 1HB HYP 27 -2.893 14.951 -3.563 170 2HB HYP 27 2HB HYP 27 -2.665 14.462 -1.874 171 1HD HYP 27 1HD HYP 27 -0.667 13.923 -5.288 172 2HD HYP 27 2HD HYP 27 0.334 12.865 -4.261 173 HOD HYP 27 HOD HYP 27 0.747 13.838 -2.222 174 HG HYP 27 HG HYP 27 -0.556 15.320 -3.361 175 H SER 28 H SER 28 -4.385 10.985 -2.583 176 HA SER 28 HA SER 28 -6.502 11.396 -4.508 177 1HB SER 28 1HB SER 28 -7.732 9.603 -3.351 178 2HB SER 28 2HB SER 28 -6.047 9.180 -3.621 179 HG SER 28 HG SER 28 -7.161 10.170 -1.201 180 H GLY 29 H GLY 29 -6.768 11.972 -0.934 181 1HA GLY 29 2HA GLY 29 -8.233 14.477 -1.186 182 2HA GLY 29 1HA GLY 29 -9.439 13.193 -1.091 183 H GLY 30 H GLY 30 -9.717 12.120 0.858 184 1HA GLY 30 2HA GLY 30 -9.211 11.474 3.157 185 2HA GLY 30 1HA GLY 30 -7.929 12.659 3.261 186 1HN NH2 31 1HN NH2 31 -10.171 15.174 4.612 187 2HN NH2 31 2HN NH2 31 -8.484 14.747 4.028 Start of MODEL 7 1 1H GLY 1 1H GLY 1 8.453 -5.778 -1.420 2 2H GLY 1 2H GLY 1 7.687 -5.428 -2.820 3 1HA GLY 1 1HA GLY 1 7.014 -7.763 -3.104 4 2HA GLY 1 2HA GLY 1 7.834 -8.125 -1.587 5 H CYS 2 H CYS 2 5.013 -6.723 -3.032 6 HA CYS 2 HA CYS 2 3.819 -5.868 -0.354 7 1HB CYS 2 2HB CYS 2 3.902 -4.185 -2.151 8 2HB CYS 2 1HB CYS 2 3.019 -5.227 -3.275 9 H CYS 3 H CYS 3 1.521 -6.798 -2.709 10 HA CYS 3 HA CYS 3 1.486 -9.683 -2.101 11 1HB CYS 3 2HB CYS 3 0.344 -8.905 -0.019 12 2HB CYS 3 1HB CYS 3 -0.941 -8.170 -0.980 13 H GLY 4 H GLY 4 -1.272 -7.509 -3.048 14 1HA GLY 4 1HA GLY 4 -1.432 -6.867 -5.519 15 2HA GLY 4 2HA GLY 4 -0.766 -8.407 -5.961 16 HA PRO 5 HA PRO 5 -5.467 -8.297 -6.317 17 1HB PRO 5 1HB PRO 5 -5.817 -8.645 -9.023 18 2HB PRO 5 2HB PRO 5 -5.291 -7.134 -8.288 19 1HG PRO 5 1HG PRO 5 -3.521 -9.324 -9.505 20 2HG PRO 5 2HG PRO 5 -3.502 -7.585 -9.897 21 1HD PRO 5 1HD PRO 5 -1.735 -8.681 -8.049 22 2HD PRO 5 2HD PRO 5 -2.391 -7.042 -7.810 23 H TYR 6 H TYR 6 -4.675 -10.419 -5.069 24 HA TYR 6 HA TYR 6 -6.725 -12.414 -6.102 25 1HB TYR 6 1HB TYR 6 -4.017 -13.327 -4.928 26 2HB TYR 6 2HB TYR 6 -5.413 -14.346 -5.132 27 HD1 TYR 6 HD1 TYR 6 -2.556 -12.830 -6.855 28 HD2 TYR 6 HD2 TYR 6 -6.304 -14.844 -7.510 29 HE1 TYR 6 HE1 TYR 6 -1.904 -13.305 -9.173 30 HE2 TYR 6 HE2 TYR 6 -5.637 -15.312 -9.828 31 HH TYR 6 HH TYR 6 -4.066 -15.087 -11.380 32 HA HYP 7 HA HYP 7 -7.127 -10.313 -1.937 33 1HB HYP 7 1HB HYP 7 -8.688 -8.885 -2.762 34 2HB HYP 7 2HB HYP 7 -9.853 -9.850 -1.844 35 1HD HYP 7 1HD HYP 7 -8.026 -10.090 -5.375 36 2HD HYP 7 2HD HYP 7 -8.797 -11.703 -5.460 37 HOD HYP 7 HOD HYP 7 -9.677 -8.619 -4.793 38 HG HYP 7 HG HYP 7 -10.426 -11.185 -3.811 39 H ASN 8 H ASN 8 -7.251 -11.057 -0.003 40 HA ASN 8 HA ASN 8 -9.435 -12.901 0.888 41 1HB ASN 8 1HB ASN 8 -7.541 -14.495 0.305 42 2HB ASN 8 2HB ASN 8 -6.498 -13.686 1.451 43 1HD2 ASN 8 1HD2 ASN 8 -9.362 -15.723 1.119 44 2HD2 ASN 8 2HD2 ASN 8 -9.353 -16.313 2.856 45 H ALA 9 H ALA 9 -6.414 -11.840 2.512 46 HA ALA 9 HA ALA 9 -8.081 -10.186 4.463 47 1HB ALA 9 1HB ALA 9 -6.088 -10.260 5.946 48 2HB ALA 9 2HB ALA 9 -5.187 -11.201 4.733 49 3HB ALA 9 3HB ALA 9 -6.637 -11.891 5.507 50 H ALA 10 H ALA 10 -4.736 -9.355 3.818 51 HA ALA 10 HA ALA 10 -5.542 -6.562 2.948 52 1HB ALA 10 1HB ALA 10 -3.723 -6.944 4.691 53 2HB ALA 10 2HB ALA 10 -3.112 -6.067 3.277 54 3HB ALA 10 3HB ALA 10 -2.740 -7.789 3.461 55 H CYS 11 H CYS 11 -5.148 -9.282 1.062 56 HA CYS 11 HA CYS 11 -2.994 -8.426 -0.707 57 1HB CYS 11 2HB CYS 11 -3.893 -10.857 -0.227 58 2HB CYS 11 1HB CYS 11 -4.967 -10.553 -1.591 59 H HIS 12 H HIS 12 -3.208 -6.594 -1.675 60 HA HIS 12 HA HIS 12 -5.301 -6.111 -3.822 61 1HB HIS 12 1HB HIS 12 -4.758 -4.306 -1.357 62 2HB HIS 12 2HB HIS 12 -5.485 -3.665 -2.789 63 HD1 HIS 12 HD1 HIS 12 -7.967 -5.042 -3.574 64 HD2 HIS 12 HD2 HIS 12 -6.433 -5.308 0.433 65 HE1 HIS 12 HE1 HIS 12 -9.816 -5.805 -1.950 66 HE2 HIS 12 HE2 HIS 12 -8.996 -5.998 0.487 67 HA HYP 13 HA HYP 13 -1.693 -4.126 -5.934 68 1HB HYP 13 1HB HYP 13 -2.474 -2.992 -7.834 69 2HB HYP 13 2HB HYP 13 -3.594 -1.981 -6.929 70 1HD HYP 13 1HD HYP 13 -5.143 -5.550 -5.967 71 2HD HYP 13 2HD HYP 13 -5.627 -3.902 -5.481 72 HOD HYP 13 HOD HYP 13 -3.205 -5.447 -7.645 73 HG HYP 13 HG HYP 13 -5.210 -3.446 -7.777 74 H CYS 14 H CYS 14 -3.955 -1.690 -4.550 75 HA CYS 14 HA CYS 14 -1.631 -0.044 -3.437 76 1HB CYS 14 1HB CYS 14 -2.959 1.313 -4.732 77 2HB CYS 14 2HB CYS 14 -4.537 0.608 -4.230 78 H GLY 15 H GLY 15 -2.518 -2.680 -2.290 79 1HA GLY 15 1HA GLY 15 -3.492 -1.966 0.470 80 2HA GLY 15 2HA GLY 15 -2.997 -3.548 -0.090 81 H CYS 16 H CYS 16 -0.397 -2.067 -1.146 82 HA CYS 16 HA CYS 16 1.465 -2.847 0.635 83 1HB CYS 16 2HB CYS 16 1.759 -0.371 -1.246 84 2HB CYS 16 1HB CYS 16 3.032 -1.514 -0.761 85 H LYS 17 H LYS 17 3.126 -1.828 1.769 86 HA LYS 17 HA LYS 17 2.341 0.379 3.710 87 1HB LYS 17 2HB LYS 17 4.706 -1.561 3.639 88 2HB LYS 17 1HB LYS 17 4.535 -0.246 4.803 89 1HG LYS 17 2HG LYS 17 2.318 -1.214 5.581 90 2HG LYS 17 1HG LYS 17 2.479 -2.501 4.399 91 1HD LYS 17 1HD LYS 17 3.109 -3.473 6.469 92 2HD LYS 17 2HD LYS 17 4.604 -3.300 5.559 93 1HE LYS 17 1HE LYS 17 5.169 -1.209 6.928 94 2HE LYS 17 2HE LYS 17 3.647 -1.387 7.813 95 1HZ LYS 17 1HZ LYS 17 4.435 -3.560 8.605 96 2HZ LYS 17 2HZ LYS 17 5.498 -2.365 9.019 97 3HZ LYS 17 3HZ LYS 17 5.853 -3.392 7.776 98 H VAL 18 H VAL 18 4.886 -0.575 1.603 99 HA VAL 18 HA VAL 18 5.366 2.250 0.698 100 HB VAL 18 HB VAL 18 7.018 1.987 2.502 101 1HG1 VAL 18 1HG1 VAL 18 9.037 0.571 2.369 102 2HG1 VAL 18 2HG1 VAL 18 8.467 -0.187 0.862 103 3HG1 VAL 18 3HG1 VAL 18 7.592 -0.457 2.387 104 1HG2 VAL 18 1HG2 VAL 18 7.472 3.543 0.618 105 2HG2 VAL 18 2HG2 VAL 18 8.975 2.895 1.305 106 3HG2 VAL 18 3HG2 VAL 18 8.363 2.268 -0.248 107 H GLY 19 H GLY 19 5.365 2.271 -1.418 108 1HA GLY 19 2HA GLY 19 6.216 1.572 -3.638 109 2HA GLY 19 1HA GLY 19 6.404 -0.074 -3.093 110 H ARG 20 H ARG 20 4.031 2.363 -3.966 111 HA ARG 20 HA ARG 20 1.833 0.299 -4.470 112 1HB ARG 20 1HB ARG 20 1.862 3.369 -4.229 113 2HB ARG 20 2HB ARG 20 0.483 2.409 -4.712 114 1HG ARG 20 1HG ARG 20 0.119 3.024 -2.520 115 2HG ARG 20 2HG ARG 20 0.364 1.295 -2.547 116 1HD ARG 20 1HD ARG 20 2.715 1.679 -1.585 117 2HD ARG 20 2HD ARG 20 2.511 3.423 -1.810 118 HE ARG 20 HE ARG 20 0.413 2.072 -0.128 119 1HH1 ARG 20 2HH2 ARG 20 3.335 4.100 -0.117 120 2HH1 ARG 20 1HH2 ARG 20 2.932 4.717 1.564 121 1HH2 ARG 20 1HH1 ARG 20 0.096 2.785 1.838 122 2HH2 ARG 20 2HH1 ARG 20 1.222 4.021 2.593 123 HA HYP 21 HA HYP 21 1.355 1.028 -8.979 124 1HB HYP 21 1HB HYP 21 -1.060 1.025 -9.463 125 2HB HYP 21 2HB HYP 21 -1.426 1.997 -8.031 126 1HD HYP 21 1HD HYP 21 0.630 -0.737 -6.160 127 2HD HYP 21 2HD HYP 21 -0.396 0.532 -5.478 128 HOD HYP 21 HOD HYP 21 0.353 -1.049 -8.593 129 HG HYP 21 HG HYP 21 -1.936 -0.138 -7.169 130 HA HYP 22 HA HYP 22 1.792 5.439 -10.102 131 1HB HYP 22 1HB HYP 22 -0.376 5.017 -12.231 132 2HB HYP 22 2HB HYP 22 1.200 5.805 -12.399 133 1HD HYP 22 1HD HYP 22 1.602 1.884 -11.034 134 2HD HYP 22 2HD HYP 22 -0.124 2.235 -11.331 135 HOD HYP 22 HOD HYP 22 2.994 3.998 -11.591 136 HG HYP 22 HG HYP 22 0.825 3.258 -13.273 137 H TYR 23 H TYR 23 -1.546 4.520 -9.526 138 HA TYR 23 HA TYR 23 -2.429 7.351 -8.984 139 1HB TYR 23 2HB TYR 23 -4.611 6.442 -8.434 140 2HB TYR 23 1HB TYR 23 -4.087 5.924 -9.998 141 HD1 TYR 23 HD1 TYR 23 -3.506 3.477 -10.417 142 HD2 TYR 23 HD2 TYR 23 -5.013 4.781 -6.602 143 HE1 TYR 23 HE1 TYR 23 -3.979 1.148 -9.799 144 HE2 TYR 23 HE2 TYR 23 -5.476 2.447 -5.996 145 HH TYR 23 HH TYR 23 -4.724 -0.232 -8.225 146 H CYS 24 H CYS 24 -1.150 4.717 -7.092 147 HA CYS 24 HA CYS 24 -2.085 5.945 -4.454 148 1HB CYS 24 2HB CYS 24 -1.569 3.026 -5.277 149 2HB CYS 24 1HB CYS 24 -1.295 3.424 -3.661 150 H ASP 25 H ASP 25 0.589 5.743 -6.383 151 HA ASP 25 HA ASP 25 2.378 6.716 -4.145 152 1HB ASP 25 1HB ASP 25 2.879 4.215 -4.707 153 2HB ASP 25 2HB ASP 25 3.425 4.739 -6.286 154 HD2 ASP 25 HD2 ASP 25 3.896 4.825 -2.950 155 H ARG 26 H ARG 26 1.741 6.653 -7.639 156 HA ARG 26 HA ARG 26 3.628 8.891 -8.283 157 1HB ARG 26 2HB ARG 26 2.741 7.116 -9.899 158 2HB ARG 26 1HB ARG 26 1.207 7.979 -9.895 159 1HG ARG 26 1HG ARG 26 2.505 8.742 -11.814 160 2HG ARG 26 2HG ARG 26 2.364 10.076 -10.669 161 1HD ARG 26 1HD ARG 26 4.706 9.525 -9.782 162 2HD ARG 26 2HD ARG 26 4.831 8.225 -10.978 163 HE ARG 26 HE ARG 26 4.188 10.654 -12.440 164 1HH1 ARG 26 1HH1 ARG 26 6.898 9.371 -10.527 165 2HH1 ARG 26 2HH1 ARG 26 8.079 10.406 -11.479 166 1HH2 ARG 26 2HH2 ARG 26 5.620 11.787 -13.456 167 2HH2 ARG 26 1HH2 ARG 26 7.400 11.680 -13.025 168 HA HYP 27 HA HYP 27 1.008 11.857 -6.041 169 1HB HYP 27 1HB HYP 27 1.824 14.083 -6.387 170 2HB HYP 27 2HB HYP 27 1.929 13.892 -8.145 171 1HD HYP 27 1HD HYP 27 4.128 10.759 -7.362 172 2HD HYP 27 2HD HYP 27 3.681 11.565 -8.891 173 HOD HYP 27 HOD HYP 27 3.216 12.049 -5.362 174 HG HYP 27 HG HYP 27 4.200 13.508 -7.595 175 H SER 28 H SER 28 -1.054 11.201 -6.339 176 HA SER 28 HA SER 28 -2.669 11.883 -8.681 177 1HB SER 28 1HB SER 28 -4.539 10.744 -7.535 178 2HB SER 28 2HB SER 28 -3.069 9.783 -7.592 179 HG SER 28 HG SER 28 -2.644 10.444 -5.438 180 H GLY 29 H GLY 29 -3.212 12.917 -5.246 181 1HA GLY 29 1HA GLY 29 -3.653 15.729 -5.873 182 2HA GLY 29 2HA GLY 29 -5.230 14.941 -5.939 183 H GLY 30 H GLY 30 -6.161 14.230 -4.020 184 1HA GLY 30 2HA GLY 30 -4.857 13.958 -1.419 185 2HA GLY 30 1HA GLY 30 -5.459 15.614 -1.527 186 1HN NH2 31 1HN NH2 31 -7.710 15.939 -1.348 187 2HN NH2 31 2HN NH2 31 -8.887 14.572 -1.012 Start of MODEL 8 1 1H GLY 1 1H GLY 1 6.311 -6.127 -7.394 2 2H GLY 1 2H GLY 1 4.948 -5.487 -8.028 3 1HA GLY 1 1HA GLY 1 7.031 -3.954 -6.568 4 2HA GLY 1 2HA GLY 1 5.571 -3.250 -7.257 5 H CYS 2 H CYS 2 3.653 -3.477 -6.139 6 HA CYS 2 HA CYS 2 3.776 -4.287 -3.294 7 1HB CYS 2 2HB CYS 2 2.660 -2.281 -3.633 8 2HB CYS 2 1HB CYS 2 1.683 -2.868 -5.025 9 H CYS 3 H CYS 3 0.855 -5.171 -5.239 10 HA CYS 3 HA CYS 3 1.215 -8.082 -4.440 11 1HB CYS 3 2HB CYS 3 -0.394 -6.083 -2.932 12 2HB CYS 3 1HB CYS 3 -1.444 -7.299 -3.634 13 H GLY 4 H GLY 4 -1.962 -6.816 -5.419 14 1HA GLY 4 2HA GLY 4 -2.775 -6.397 -7.640 15 2HA GLY 4 1HA GLY 4 -1.265 -6.911 -8.328 16 HA PRO 5 HA PRO 5 -4.337 -10.433 -9.111 17 1HB PRO 5 2HB PRO 5 -4.071 -10.547 -11.875 18 2HB PRO 5 1HB PRO 5 -5.180 -9.478 -11.011 19 1HG PRO 5 2HG PRO 5 -2.400 -8.791 -12.091 20 2HG PRO 5 1HG PRO 5 -3.924 -7.894 -12.313 21 1HD PRO 5 1HD PRO 5 -2.098 -7.179 -10.358 22 2HD PRO 5 2HD PRO 5 -3.848 -7.007 -10.063 23 H TYR 6 H TYR 6 -1.016 -10.195 -9.026 24 HA TYR 6 HA TYR 6 -0.399 -12.814 -10.399 25 1HB TYR 6 1HB TYR 6 1.480 -10.714 -9.173 26 2HB TYR 6 2HB TYR 6 2.016 -12.254 -9.772 27 HD1 TYR 6 HD1 TYR 6 1.988 -12.762 -12.230 28 HD2 TYR 6 HD2 TYR 6 0.628 -8.949 -10.765 29 HE1 TYR 6 HE1 TYR 6 2.098 -11.840 -14.504 30 HE2 TYR 6 HE2 TYR 6 0.737 -8.042 -13.044 31 HH TYR 6 HH TYR 6 1.785 -10.058 -15.793 32 HA HYP 7 HA HYP 7 0.672 -14.206 -5.745 33 1HB HYP 7 1HB HYP 7 -1.333 -12.323 -4.382 34 2HB HYP 7 2HB HYP 7 0.119 -13.070 -3.693 35 1HD HYP 7 1HD HYP 7 0.995 -10.819 -7.104 36 2HD HYP 7 2HD HYP 7 -0.735 -10.669 -6.714 37 HOD HYP 7 HOD HYP 7 2.319 -10.804 -5.217 38 HG HYP 7 HG HYP 7 0.178 -10.478 -4.519 39 H ASN 8 H ASN 8 -0.726 -15.496 -4.209 40 HA ASN 8 HA ASN 8 -2.443 -17.116 -5.924 41 1HB ASN 8 1HB ASN 8 -1.916 -17.405 -2.903 42 2HB ASN 8 2HB ASN 8 -2.813 -18.559 -3.857 43 1HD2 ASN 8 1HD2 ASN 8 0.322 -17.661 -2.901 44 2HD2 ASN 8 2HD2 ASN 8 1.214 -18.864 -3.963 45 H ALA 9 H ALA 9 -3.433 -15.433 -2.863 46 HA ALA 9 HA ALA 9 -6.332 -15.758 -3.679 47 1HB ALA 9 1HB ALA 9 -5.588 -16.425 -1.364 48 2HB ALA 9 2HB ALA 9 -5.101 -14.740 -1.040 49 3HB ALA 9 3HB ALA 9 -6.812 -15.146 -1.313 50 H ALA 10 H ALA 10 -4.994 -13.996 -5.303 51 HA ALA 10 HA ALA 10 -4.793 -11.772 -6.047 52 1HB ALA 10 1HB ALA 10 -7.834 -11.733 -5.671 53 2HB ALA 10 2HB ALA 10 -6.934 -12.399 -7.081 54 3HB ALA 10 3HB ALA 10 -6.858 -10.668 -6.712 55 H CYS 11 H CYS 11 -3.911 -11.675 -3.714 56 HA CYS 11 HA CYS 11 -4.480 -9.621 -1.921 57 1HB CYS 11 2HB CYS 11 -2.366 -10.973 -1.985 58 2HB CYS 11 1HB CYS 11 -1.774 -10.012 -3.348 59 H HIS 12 H HIS 12 -4.255 -7.263 -1.810 60 HA HIS 12 HA HIS 12 -5.404 -6.096 -4.267 61 1HB HIS 12 2HB HIS 12 -4.958 -4.907 -1.480 62 2HB HIS 12 1HB HIS 12 -5.732 -4.029 -2.767 63 HD1 HIS 12 HD1 HIS 12 -7.493 -4.275 -0.374 64 HD2 HIS 12 HD2 HIS 12 -7.275 -7.343 -3.387 65 HE1 HIS 12 HE1 HIS 12 -9.615 -5.731 -0.340 66 HE2 HIS 12 HE2 HIS 12 -9.584 -7.599 -2.114 67 HA HYP 13 HA HYP 13 -1.879 -3.846 -6.109 68 1HB HYP 13 1HB HYP 13 -3.958 -1.688 -6.703 69 2HB HYP 13 2HB HYP 13 -2.746 -2.388 -7.770 70 1HD HYP 13 1HD HYP 13 -5.088 -5.465 -6.332 71 2HD HYP 13 2HD HYP 13 -5.794 -3.976 -5.646 72 HOD HYP 13 HOD HYP 13 -3.792 -3.951 -9.138 73 HG HYP 13 HG HYP 13 -5.417 -3.112 -7.800 74 H CYS 14 H CYS 14 -4.060 -1.549 -4.377 75 HA CYS 14 HA CYS 14 -1.625 -0.196 -3.099 76 1HB CYS 14 1HB CYS 14 -2.744 1.457 -4.168 77 2HB CYS 14 2HB CYS 14 -4.400 0.792 -3.955 78 H GLY 15 H GLY 15 -2.517 -2.847 -2.223 79 1HA GLY 15 1HA GLY 15 -3.589 -2.384 0.563 80 2HA GLY 15 2HA GLY 15 -3.042 -3.899 -0.112 81 H CYS 16 H CYS 16 -0.598 -1.706 -0.729 82 HA CYS 16 HA CYS 16 1.195 -2.932 1.354 83 1HB CYS 16 2HB CYS 16 1.623 -1.306 -1.274 84 2HB CYS 16 1HB CYS 16 2.966 -1.918 -0.340 85 H LYS 17 H LYS 17 3.187 -1.186 1.558 86 HA LYS 17 HA LYS 17 2.156 1.349 2.949 87 1HB LYS 17 2HB LYS 17 4.527 -0.439 3.705 88 2HB LYS 17 1HB LYS 17 4.301 1.181 4.337 89 1HG LYS 17 2HG LYS 17 2.248 -1.092 4.656 90 2HG LYS 17 1HG LYS 17 3.493 -0.762 5.838 91 1HD LYS 17 1HD LYS 17 1.347 1.296 5.010 92 2HD LYS 17 2HD LYS 17 1.131 0.167 6.324 93 1HE LYS 17 1HE LYS 17 3.356 2.319 6.252 94 2HE LYS 17 2HE LYS 17 1.800 2.496 7.059 95 1HZ LYS 17 1HZ LYS 17 3.834 0.436 7.755 96 2HZ LYS 17 2HZ LYS 17 2.371 0.618 8.501 97 3HZ LYS 17 3HZ LYS 17 3.509 1.811 8.611 98 H VAL 18 H VAL 18 5.145 -0.040 2.048 99 HA VAL 18 HA VAL 18 5.974 2.420 0.438 100 HB VAL 18 HB VAL 18 7.512 1.818 2.235 101 1HG1 VAL 18 1HG2 VAL 18 9.033 -0.126 2.203 102 2HG1 VAL 18 2HG2 VAL 18 7.356 -0.696 2.299 103 3HG1 VAL 18 3HG2 VAL 18 8.236 -0.793 0.757 104 1HG2 VAL 18 1HG1 VAL 18 9.617 2.032 0.977 105 2HG2 VAL 18 2HG1 VAL 18 8.352 3.036 0.240 106 3HG2 VAL 18 3HG1 VAL 18 8.822 1.498 -0.526 107 H GLY 19 H GLY 19 5.934 2.318 -1.659 108 1HA GLY 19 2HA GLY 19 6.403 1.517 -3.855 109 2HA GLY 19 1HA GLY 19 6.727 -0.074 -3.228 110 H ARG 20 H ARG 20 3.660 1.856 -3.175 111 HA ARG 20 HA ARG 20 2.064 -0.288 -4.575 112 1HB ARG 20 1HB ARG 20 1.419 2.648 -3.943 113 2HB ARG 20 2HB ARG 20 0.392 1.506 -4.769 114 1HG ARG 20 1HG ARG 20 -0.594 1.405 -2.832 115 2HG ARG 20 2HG ARG 20 0.403 0.043 -2.683 116 1HD ARG 20 2HD ARG 20 1.906 1.202 -1.080 117 2HD ARG 20 1HD ARG 20 1.366 2.795 -1.635 118 HE ARG 20 HE ARG 20 -0.814 1.094 -0.468 119 1HH1 ARG 20 1HH1 ARG 20 1.483 3.732 0.172 120 2HH1 ARG 20 2HH1 ARG 20 0.426 4.338 1.545 121 1HH2 ARG 20 1HH2 ARG 20 -1.912 1.845 1.146 122 2HH2 ARG 20 2HH2 ARG 20 -1.364 3.340 2.056 123 HA HYP 21 HA HYP 21 1.535 1.390 -8.793 124 1HB HYP 21 1HB HYP 21 -0.877 1.543 -9.288 125 2HB HYP 21 2HB HYP 21 -1.234 2.245 -7.706 126 1HD HYP 21 1HD HYP 21 0.754 -0.883 -6.453 127 2HD HYP 21 2HD HYP 21 -0.211 0.208 -5.459 128 HOD HYP 21 HOD HYP 21 0.366 -0.736 -8.850 129 HG HYP 21 HG HYP 21 -1.828 0.035 -7.212 130 HA HYP 22 HA HYP 22 2.140 5.893 -8.971 131 1HB HYP 22 1HB HYP 22 1.620 6.760 -11.175 132 2HB HYP 22 2HB HYP 22 0.023 6.004 -11.203 133 1HD HYP 22 1HD HYP 22 0.123 3.124 -10.882 134 2HD HYP 22 2HD HYP 22 1.811 2.608 -10.612 135 HOD HYP 22 HOD HYP 22 3.307 3.776 -11.946 136 HG HYP 22 HG HYP 22 1.213 4.451 -12.549 137 H TYR 23 H TYR 23 -1.188 5.041 -8.442 138 HA TYR 23 HA TYR 23 -1.969 7.854 -7.659 139 1HB TYR 23 2HB TYR 23 -4.214 6.935 -7.206 140 2HB TYR 23 1HB TYR 23 -3.691 6.725 -8.841 141 HD1 TYR 23 HD1 TYR 23 -4.566 4.916 -5.708 142 HD2 TYR 23 HD2 TYR 23 -3.249 4.434 -9.776 143 HE1 TYR 23 HE1 TYR 23 -5.034 2.512 -5.583 144 HE2 TYR 23 HE2 TYR 23 -3.727 2.034 -9.642 145 HH TYR 23 HH TYR 23 -4.998 0.562 -6.648 146 H CYS 24 H CYS 24 -0.885 4.955 -6.060 147 HA CYS 24 HA CYS 24 -1.743 5.977 -3.311 148 1HB CYS 24 2HB CYS 24 -1.298 3.087 -4.325 149 2HB CYS 24 1HB CYS 24 -1.180 3.433 -2.665 150 H ASP 25 H ASP 25 0.911 5.713 -5.282 151 HA ASP 25 HA ASP 25 2.805 6.284 -2.991 152 1HB ASP 25 1HB ASP 25 2.948 3.782 -3.642 153 2HB ASP 25 2HB ASP 25 3.549 4.270 -5.214 154 HD2 ASP 25 HD2 ASP 25 5.825 4.535 -1.850 155 H ARG 26 H ARG 26 2.224 6.522 -6.488 156 HA ARG 26 HA ARG 26 4.431 8.465 -7.003 157 1HB ARG 26 2HB ARG 26 3.212 6.971 -8.697 158 2HB ARG 26 1HB ARG 26 1.863 8.099 -8.608 159 1HG ARG 26 2HG ARG 26 3.245 8.713 -10.517 160 2HG ARG 26 1HG ARG 26 3.370 9.988 -9.306 161 1HD ARG 26 2HD ARG 26 5.587 8.970 -8.509 162 2HD ARG 26 1HD ARG 26 5.451 7.737 -9.774 163 HE ARG 26 HE ARG 26 5.239 10.319 -11.093 164 1HH1 ARG 26 1HH1 ARG 26 7.702 8.468 -9.316 165 2HH1 ARG 26 2HH1 ARG 26 9.034 9.324 -10.243 166 1HH2 ARG 26 2HH2 ARG 26 6.835 11.230 -12.086 167 2HH2 ARG 26 1HH2 ARG 26 8.573 10.781 -11.705 168 HA HYP 27 HA HYP 27 2.444 11.765 -4.604 169 1HB HYP 27 1HB HYP 27 3.576 13.688 -6.711 170 2HB HYP 27 2HB HYP 27 3.596 13.839 -4.948 171 1HD HYP 27 1HD HYP 27 5.281 10.228 -6.162 172 2HD HYP 27 2HD HYP 27 4.867 11.180 -7.615 173 HOD HYP 27 HOD HYP 27 4.671 11.558 -4.052 174 HG HYP 27 HG HYP 27 5.783 12.930 -6.280 175 H SER 28 H SER 28 0.293 11.477 -4.795 176 HA SER 28 HA SER 28 -1.293 12.498 -7.064 177 1HB SER 28 1HB SER 28 -3.193 11.368 -6.016 178 2HB SER 28 2HB SER 28 -1.801 10.318 -6.243 179 HG SER 28 HG SER 28 -1.279 10.663 -4.037 180 H GLY 29 H GLY 29 -0.963 14.873 -6.805 181 1HA GLY 29 1HA GLY 29 -3.143 16.201 -5.334 182 2HA GLY 29 2HA GLY 29 -1.627 16.384 -4.451 183 H GLY 30 H GLY 30 -3.411 17.334 -7.246 184 1HA GLY 30 2HA GLY 30 -1.898 19.819 -7.647 185 2HA GLY 30 1HA GLY 30 -1.338 18.643 -8.836 186 1HN NH2 31 1HN NH2 31 -4.995 20.389 -9.429 187 2HN NH2 31 2HN NH2 31 -3.957 20.749 -7.961 Start of MODEL 9 1 1H GLY 1 1H GLY 1 6.568 -7.116 -3.995 2 2H GLY 1 2H GLY 1 7.818 -6.553 -4.887 3 1HA GLY 1 1HA GLY 1 6.750 -4.423 -5.231 4 2HA GLY 1 2HA GLY 1 5.784 -5.762 -5.844 5 H CYS 2 H CYS 2 3.885 -6.338 -4.704 6 HA CYS 2 HA CYS 2 3.061 -5.117 -2.197 7 1HB CYS 2 2HB CYS 2 2.589 -3.083 -3.191 8 2HB CYS 2 1HB CYS 2 1.734 -3.777 -4.610 9 H CYS 3 H CYS 3 2.490 -7.406 -1.662 10 HA CYS 3 HA CYS 3 -0.186 -8.225 -2.742 11 1HB CYS 3 2HB CYS 3 2.257 -10.127 -2.664 12 2HB CYS 3 1HB CYS 3 0.570 -10.660 -2.675 13 H GLY 4 H GLY 4 0.157 -6.742 -0.671 14 1HA GLY 4 1HA GLY 4 -0.837 -6.736 1.601 15 2HA GLY 4 2HA GLY 4 -0.388 -8.434 1.767 16 HA PRO 5 HA PRO 5 3.247 -6.008 3.630 17 1HB PRO 5 2HB PRO 5 3.053 -6.871 6.242 18 2HB PRO 5 1HB PRO 5 2.179 -5.481 5.588 19 1HG PRO 5 2HG PRO 5 1.119 -8.296 6.057 20 2HG PRO 5 1HG PRO 5 0.335 -6.739 6.413 21 1HD PRO 5 1HD PRO 5 -0.147 -8.298 4.107 22 2HD PRO 5 2HD PRO 5 -0.461 -6.541 4.154 23 H TYR 6 H TYR 6 2.281 -9.265 3.205 24 HA TYR 6 HA TYR 6 5.030 -10.406 3.411 25 1HB TYR 6 1HB TYR 6 2.864 -11.456 5.348 26 2HB TYR 6 2HB TYR 6 4.328 -12.306 4.967 27 HD1 TYR 6 HD1 TYR 6 2.895 -9.744 7.094 28 HD2 TYR 6 HD2 TYR 6 6.627 -11.212 5.533 29 HE1 TYR 6 HE1 TYR 6 4.108 -8.569 8.874 30 HE2 TYR 6 HE2 TYR 6 7.829 -10.033 7.322 31 HH TYR 6 HH TYR 6 7.664 -8.725 9.110 32 HA HYP 7 HA HYP 7 2.378 -13.949 1.616 33 1HB HYP 7 1HB HYP 7 0.375 -14.040 2.763 34 2HB HYP 7 2HB HYP 7 -0.338 -13.850 1.161 35 1HD HYP 7 1HD HYP 7 0.928 -10.221 2.751 36 2HD HYP 7 2HD HYP 7 1.043 -11.469 4.027 37 HOD HYP 7 HOD HYP 7 -0.902 -12.634 4.015 38 HG HYP 7 HG HYP 7 -0.590 -11.437 1.450 39 H ASN 8 H ASN 8 0.509 -14.209 -0.498 40 HA ASN 8 HA ASN 8 1.700 -12.726 -2.824 41 1HB ASN 8 2HB ASN 8 2.143 -15.765 -2.548 42 2HB ASN 8 1HB ASN 8 2.276 -14.899 -4.058 43 1HD2 ASN 8 2HD2 ASN 8 4.010 -13.330 -4.308 44 2HD2 ASN 8 1HD2 ASN 8 5.513 -13.486 -3.267 45 H ALA 9 H ALA 9 -0.322 -15.598 -1.955 46 HA ALA 9 HA ALA 9 -2.284 -15.215 -4.118 47 1HB ALA 9 1HB ALA 9 -2.608 -16.706 -1.434 48 2HB ALA 9 2HB ALA 9 -1.995 -17.401 -2.958 49 3HB ALA 9 3HB ALA 9 -3.675 -16.850 -2.852 50 H ALA 10 H ALA 10 -2.031 -13.581 -1.012 51 HA ALA 10 HA ALA 10 -4.827 -12.361 -1.307 52 1HB ALA 10 1HB ALA 10 -4.486 -11.445 0.969 53 2HB ALA 10 2HB ALA 10 -4.285 -13.209 0.977 54 3HB ALA 10 3HB ALA 10 -2.857 -12.143 1.048 55 H CYS 11 H CYS 11 -2.975 -11.778 -3.254 56 HA CYS 11 HA CYS 11 -1.728 -9.213 -2.929 57 1HB CYS 11 2HB CYS 11 -1.419 -11.032 -4.846 58 2HB CYS 11 1HB CYS 11 -2.626 -10.090 -5.725 59 H HIS 12 H HIS 12 -2.562 -7.264 -2.714 60 HA HIS 12 HA HIS 12 -4.999 -6.400 -4.343 61 1HB HIS 12 2HB HIS 12 -4.575 -5.581 -1.408 62 2HB HIS 12 1HB HIS 12 -5.622 -4.760 -2.517 63 HD1 HIS 12 HD1 HIS 12 -7.904 -6.167 -3.384 64 HD2 HIS 12 HD2 HIS 12 -5.398 -7.978 -0.396 65 HE1 HIS 12 HE1 HIS 12 -9.122 -8.140 -2.260 66 HE2 HIS 12 HE2 HIS 12 -7.702 -9.298 -0.447 67 HA HYP 13 HA HYP 13 -1.599 -3.825 -5.918 68 1HB HYP 13 1HB HYP 13 -3.888 -1.973 -6.768 69 2HB HYP 13 2HB HYP 13 -2.452 -2.451 -7.684 70 1HD HYP 13 1HD HYP 13 -4.517 -5.820 -6.372 71 2HD HYP 13 2HD HYP 13 -5.472 -4.380 -5.914 72 HOD HYP 13 HOD HYP 13 -2.851 -4.345 -8.992 73 HG HYP 13 HG HYP 13 -4.844 -3.690 -8.104 74 H CYS 14 H CYS 14 -4.076 -1.700 -4.326 75 HA CYS 14 HA CYS 14 -1.790 -0.225 -2.932 76 1HB CYS 14 1HB CYS 14 -2.590 1.478 -4.180 77 2HB CYS 14 2HB CYS 14 -4.286 0.887 -4.269 78 H GLY 15 H GLY 15 -2.280 -2.467 -1.864 79 1HA GLY 15 1HA GLY 15 -3.794 -1.788 0.719 80 2HA GLY 15 2HA GLY 15 -3.442 -3.411 0.174 81 H CYS 16 H CYS 16 -0.648 -1.912 -0.565 82 HA CYS 16 HA CYS 16 0.784 -3.054 1.791 83 1HB CYS 16 2HB CYS 16 1.728 -1.908 -0.924 84 2HB CYS 16 1HB CYS 16 2.760 -2.850 0.128 85 H LYS 17 H LYS 17 2.507 -0.421 0.386 86 HA LYS 17 HA LYS 17 1.938 1.845 2.120 87 1HB LYS 17 1HB LYS 17 2.329 -0.147 3.741 88 2HB LYS 17 2HB LYS 17 4.008 -0.121 3.225 89 1HG LYS 17 1HG LYS 17 3.799 1.181 5.272 90 2HG LYS 17 2HG LYS 17 4.204 2.294 3.965 91 1HD LYS 17 1HD LYS 17 1.788 2.980 3.767 92 2HD LYS 17 2HD LYS 17 1.332 1.811 5.011 93 1HE LYS 17 2HE LYS 17 2.750 3.047 6.717 94 2HE LYS 17 1HE LYS 17 3.216 4.224 5.479 95 1HZ LYS 17 1HZ LYS 17 0.860 4.823 5.245 96 2HZ LYS 17 2HZ LYS 17 0.425 3.724 6.401 97 3HZ LYS 17 3HZ LYS 17 1.363 5.022 6.806 98 H VAL 18 H VAL 18 4.825 0.057 1.909 99 HA VAL 18 HA VAL 18 6.237 2.192 0.235 100 HB VAL 18 HB VAL 18 7.323 1.690 2.347 101 1HG1 VAL 18 1HG1 VAL 18 7.970 -1.169 1.383 102 2HG1 VAL 18 2HG1 VAL 18 6.828 -0.758 2.684 103 3HG1 VAL 18 3HG1 VAL 18 8.550 -0.382 2.870 104 1HG2 VAL 18 1HG2 VAL 18 9.637 1.494 1.519 105 2HG2 VAL 18 2HG2 VAL 18 9.065 0.837 -0.037 106 3HG2 VAL 18 3HG2 VAL 18 8.672 2.509 0.429 107 H GLY 19 H GLY 19 6.277 1.834 -1.840 108 1HA GLY 19 2HA GLY 19 6.609 0.645 -3.960 109 2HA GLY 19 1HA GLY 19 6.636 -0.895 -3.124 110 H ARG 20 H ARG 20 4.584 1.584 -4.466 111 HA ARG 20 HA ARG 20 2.207 -0.254 -4.709 112 1HB ARG 20 1HB ARG 20 2.429 0.607 -2.357 113 2HB ARG 20 2HB ARG 20 2.191 2.261 -2.935 114 1HG ARG 20 2HG ARG 20 0.019 1.922 -3.634 115 2HG ARG 20 1HG ARG 20 0.130 0.200 -3.669 116 1HD ARG 20 2HD ARG 20 -1.210 0.797 -1.750 117 2HD ARG 20 1HD ARG 20 0.285 0.086 -1.157 118 HE ARG 20 HE ARG 20 0.778 2.893 -1.069 119 1HH1 ARG 20 1HH2 ARG 20 -1.680 0.757 0.362 120 2HH1 ARG 20 2HH2 ARG 20 -1.905 1.926 1.757 121 1HH2 ARG 20 1HH1 ARG 20 0.435 4.153 0.561 122 2HH2 ARG 20 2HH1 ARG 20 -0.786 3.720 1.860 123 HA HYP 21 HA HYP 21 1.235 1.816 -8.524 124 1HB HYP 21 1HB HYP 21 -1.214 1.954 -8.805 125 2HB HYP 21 2HB HYP 21 -1.449 2.429 -7.115 126 1HD HYP 21 1HD HYP 21 0.834 -0.682 -6.464 127 2HD HYP 21 2HD HYP 21 -0.127 0.206 -5.268 128 HOD HYP 21 HOD HYP 21 -0.660 -1.399 -8.077 129 HG HYP 21 HG HYP 21 -1.868 0.124 -6.883 130 HA HYP 22 HA HYP 22 1.831 6.308 -8.685 131 1HB HYP 22 1HB HYP 22 1.097 7.169 -10.821 132 2HB HYP 22 2HB HYP 22 -0.441 6.301 -10.759 133 1HD HYP 22 1HD HYP 22 -0.107 3.414 -10.485 134 2HD HYP 22 2HD HYP 22 1.628 3.055 -10.266 135 HOD HYP 22 HOD HYP 22 2.782 5.890 -11.870 136 HG HYP 22 HG HYP 22 0.783 4.840 -12.179 137 H TYR 23 H TYR 23 -1.608 5.459 -8.376 138 HA TYR 23 HA TYR 23 -2.428 8.141 -7.357 139 1HB TYR 23 1HB TYR 23 -4.642 7.139 -6.998 140 2HB TYR 23 2HB TYR 23 -4.069 6.884 -8.610 141 HD1 TYR 23 HD1 TYR 23 -3.389 4.536 -9.383 142 HD2 TYR 23 HD2 TYR 23 -5.090 5.195 -5.485 143 HE1 TYR 23 HE1 TYR 23 -3.790 2.120 -9.137 144 HE2 TYR 23 HE2 TYR 23 -5.482 2.775 -5.259 145 HH TYR 23 HH TYR 23 -4.556 0.502 -7.840 146 H CYS 24 H CYS 24 -1.158 5.334 -5.854 147 HA CYS 24 HA CYS 24 -2.112 6.099 -3.067 148 1HB CYS 24 2HB CYS 24 -1.321 3.383 -4.325 149 2HB CYS 24 1HB CYS 24 -1.325 3.561 -2.620 150 H ASP 25 H ASP 25 0.574 6.054 -5.048 151 HA ASP 25 HA ASP 25 2.528 6.449 -2.747 152 1HB ASP 25 2HB ASP 25 3.211 4.817 -4.602 153 2HB ASP 25 1HB ASP 25 3.219 6.140 -5.751 154 HD2 ASP 25 HD2 ASP 25 4.757 7.570 -5.646 155 H ARG 26 H ARG 26 1.045 8.086 -5.525 156 HA ARG 26 HA ARG 26 2.376 10.738 -4.991 157 1HB ARG 26 2HB ARG 26 -0.100 9.952 -6.628 158 2HB ARG 26 1HB ARG 26 0.433 11.617 -6.411 159 1HG ARG 26 1HG ARG 26 2.731 10.994 -7.342 160 2HG ARG 26 2HG ARG 26 2.149 9.359 -7.598 161 1HD ARG 26 2HD ARG 26 2.025 10.405 -9.735 162 2HD ARG 26 1HD ARG 26 0.353 10.265 -9.192 163 HE ARG 26 HE ARG 26 1.375 12.919 -8.438 164 1HH1 ARG 26 1HH1 ARG 26 0.421 11.120 -11.354 165 2HH1 ARG 26 2HH1 ARG 26 0.009 12.693 -12.206 166 1HH2 ARG 26 1HH2 ARG 26 0.875 14.645 -9.504 167 2HH2 ARG 26 2HH2 ARG 26 0.249 14.553 -11.226 168 HA HYP 27 HA HYP 27 0.007 11.730 -1.390 169 1HB HYP 27 1HB HYP 27 -0.361 14.494 -1.449 170 2HB HYP 27 2HB HYP 27 1.178 13.663 -1.189 171 1HD HYP 27 1HD HYP 27 1.314 13.149 -5.060 172 2HD HYP 27 2HD HYP 27 2.427 12.796 -3.705 173 HOD HYP 27 HOD HYP 27 2.627 14.762 -2.550 174 HG HYP 27 HG HYP 27 0.082 14.777 -3.824 175 H SER 28 H SER 28 -1.836 10.555 -1.661 176 HA SER 28 HA SER 28 -4.200 11.447 -3.062 177 1HB SER 28 2HB SER 28 -3.579 9.058 -2.711 178 2HB SER 28 1HB SER 28 -3.974 9.184 -0.992 179 HG SER 28 HG SER 28 -5.718 9.684 -3.180 180 H GLY 29 H GLY 29 -4.025 10.941 0.529 181 1HA GLY 29 2HA GLY 29 -5.166 13.530 1.241 182 2HA GLY 29 1HA GLY 29 -6.514 12.404 1.083 183 H GLY 30 H GLY 30 -6.761 10.798 2.627 184 1HA GLY 30 2HA GLY 30 -5.310 11.181 5.270 185 2HA GLY 30 1HA GLY 30 -6.805 10.304 5.024 186 1HN NH2 31 1HN NH2 31 -5.101 7.149 4.558 187 2HN NH2 31 2HN NH2 31 -6.687 8.070 4.604 Start of MODEL 10 1 1H GLY 1 1H GLY 1 2.319 -1.446 -7.411 2 2H GLY 1 2H GLY 1 3.319 -1.240 -8.687 3 1HA GLY 1 2HA GLY 1 2.973 -3.571 -8.362 4 2HA GLY 1 1HA GLY 1 4.659 -3.146 -8.080 5 H CYS 2 H CYS 2 1.879 -4.513 -6.704 6 HA CYS 2 HA CYS 2 3.274 -4.892 -4.002 7 1HB CYS 2 2HB CYS 2 1.588 -3.012 -3.818 8 2HB CYS 2 1HB CYS 2 0.308 -4.148 -4.278 9 H CYS 3 H CYS 3 0.000 -6.054 -4.846 10 HA CYS 3 HA CYS 3 1.143 -8.750 -5.589 11 1HB CYS 3 2HB CYS 3 -1.165 -8.981 -3.659 12 2HB CYS 3 1HB CYS 3 0.103 -10.113 -4.059 13 H GLY 4 H GLY 4 -2.328 -7.506 -4.961 14 1HA GLY 4 2HA GLY 4 -3.666 -6.901 -6.998 15 2HA GLY 4 1HA GLY 4 -2.820 -8.091 -7.945 16 HA PRO 5 HA PRO 5 -6.841 -9.885 -6.121 17 1HB PRO 5 1HB PRO 5 -8.379 -10.164 -8.391 18 2HB PRO 5 2HB PRO 5 -8.224 -8.667 -7.459 19 1HG PRO 5 2HG PRO 5 -6.714 -9.431 -10.008 20 2HG PRO 5 1HG PRO 5 -7.555 -7.904 -9.635 21 1HD PRO 5 1HD PRO 5 -4.804 -8.214 -9.294 22 2HD PRO 5 2HD PRO 5 -5.762 -7.140 -8.228 23 H TYR 6 H TYR 6 -5.270 -11.522 -5.706 24 HA TYR 6 HA TYR 6 -5.510 -14.040 -7.453 25 1HB TYR 6 1HB TYR 6 -3.094 -13.104 -5.785 26 2HB TYR 6 2HB TYR 6 -3.233 -14.662 -6.552 27 HD1 TYR 6 HD1 TYR 6 -2.378 -11.157 -7.113 28 HD2 TYR 6 HD2 TYR 6 -3.451 -14.799 -9.142 29 HE1 TYR 6 HE1 TYR 6 -1.558 -10.228 -9.234 30 HE2 TYR 6 HE2 TYR 6 -2.607 -13.862 -11.250 31 HH TYR 6 HH TYR 6 -1.680 -12.114 -12.256 32 HA HYP 7 HA HYP 7 -7.515 -14.945 -3.415 33 1HB HYP 7 1HB HYP 7 -9.354 -15.506 -4.636 34 2HB HYP 7 2HB HYP 7 -9.014 -17.138 -4.039 35 1HD HYP 7 1HD HYP 7 -7.766 -14.828 -7.040 36 2HD HYP 7 2HD HYP 7 -6.558 -16.127 -7.282 37 HOD HYP 7 HOD HYP 7 -10.052 -17.369 -6.512 38 HG HYP 7 HG HYP 7 -7.837 -17.741 -6.100 39 H ASN 8 H ASN 8 -5.619 -15.324 -2.297 40 HA ASN 8 HA ASN 8 -5.998 -17.924 -0.900 41 1HB ASN 8 2HB ASN 8 -3.919 -18.423 -2.279 42 2HB ASN 8 1HB ASN 8 -3.099 -17.058 -1.558 43 1HD2 ASN 8 1HD2 ASN 8 -4.375 -20.286 -0.946 44 2HD2 ASN 8 2HD2 ASN 8 -3.448 -20.544 0.616 45 H ALA 9 H ALA 9 -3.787 -15.154 -0.762 46 HA ALA 9 HA ALA 9 -4.983 -14.144 1.870 47 1HB ALA 9 1HB ALA 9 -2.455 -13.191 0.389 48 2HB ALA 9 2HB ALA 9 -2.490 -14.273 1.807 49 3HB ALA 9 3HB ALA 9 -3.051 -12.598 1.957 50 H ALA 10 H ALA 10 -4.699 -13.367 -1.534 51 HA ALA 10 HA ALA 10 -5.267 -11.522 -2.869 52 1HB ALA 10 1HB ALA 10 -7.795 -11.346 -1.147 53 2HB ALA 10 2HB ALA 10 -7.536 -10.668 -2.776 54 3HB ALA 10 3HB ALA 10 -7.535 -12.427 -2.566 55 H CYS 11 H CYS 11 -3.480 -10.872 -1.093 56 HA CYS 11 HA CYS 11 -3.636 -8.173 -0.059 57 1HB CYS 11 2HB CYS 11 -1.572 -9.167 0.411 58 2HB CYS 11 1HB CYS 11 -1.385 -9.892 -1.182 59 H HIS 12 H HIS 12 -3.819 -6.188 -1.010 60 HA HIS 12 HA HIS 12 -4.840 -6.156 -3.836 61 1HB HIS 12 1HB HIS 12 -4.988 -4.335 -1.362 62 2HB HIS 12 2HB HIS 12 -5.274 -3.594 -2.880 63 HD1 HIS 12 HD1 HIS 12 -7.708 -3.900 -3.942 64 HD2 HIS 12 HD2 HIS 12 -6.684 -6.655 -0.803 65 HE1 HIS 12 HE1 HIS 12 -9.763 -5.297 -3.261 66 HE2 HIS 12 HE2 HIS 12 -9.255 -6.982 -1.377 67 HA HYP 13 HA HYP 13 -1.555 -3.814 -6.006 68 1HB HYP 13 1HB HYP 13 -3.672 -1.761 -6.796 69 2HB HYP 13 2HB HYP 13 -2.495 -2.598 -7.796 70 1HD HYP 13 1HD HYP 13 -5.473 -3.854 -5.358 71 2HD HYP 13 2HD HYP 13 -4.912 -5.430 -5.930 72 HOD HYP 13 HOD HYP 13 -3.041 -5.151 -7.688 73 HG HYP 13 HG HYP 13 -5.185 -3.292 -7.671 74 H CYS 14 H CYS 14 -3.897 -1.524 -4.545 75 HA CYS 14 HA CYS 14 -1.684 -0.014 -3.079 76 1HB CYS 14 1HB CYS 14 -3.030 1.483 -4.152 77 2HB CYS 14 2HB CYS 14 -4.590 0.627 -3.874 78 H GLY 15 H GLY 15 -2.577 -2.938 -2.421 79 1HA GLY 15 2HA GLY 15 -3.626 -2.810 0.321 80 2HA GLY 15 1HA GLY 15 -2.744 -4.131 -0.410 81 H CYS 16 H CYS 16 -0.398 -2.496 -1.066 82 HA CYS 16 HA CYS 16 1.362 -2.875 1.233 83 1HB CYS 16 1HB CYS 16 1.482 -1.568 -1.579 84 2HB CYS 16 2HB CYS 16 2.817 -1.321 -0.551 85 H LYS 17 H LYS 17 2.955 -1.110 1.701 86 HA LYS 17 HA LYS 17 1.694 1.559 2.539 87 1HB LYS 17 2HB LYS 17 4.074 0.034 3.725 88 2HB LYS 17 1HB LYS 17 3.631 1.693 4.137 89 1HG LYS 17 1HG LYS 17 1.338 0.893 4.894 90 2HG LYS 17 2HG LYS 17 1.784 -0.748 4.461 91 1HD LYS 17 1HD LYS 17 2.026 -0.651 6.814 92 2HD LYS 17 2HD LYS 17 3.668 -0.681 6.187 93 1HE LYS 17 1HE LYS 17 3.828 1.850 6.551 94 2HE LYS 17 2HE LYS 17 2.167 1.860 7.159 95 1HZ LYS 17 1HZ LYS 17 3.772 1.756 8.961 96 2HZ LYS 17 2HZ LYS 17 2.880 0.364 8.953 97 3HZ LYS 17 3HZ LYS 17 4.431 0.355 8.383 98 H VAL 18 H VAL 18 4.774 0.166 2.038 99 HA VAL 18 HA VAL 18 5.662 2.341 0.078 100 HB VAL 18 HB VAL 18 7.078 2.209 2.089 101 1HG1 VAL 18 1HG2 VAL 18 7.043 -0.247 2.634 102 2HG1 VAL 18 2HG2 VAL 18 8.030 -0.588 1.193 103 3HG1 VAL 18 3HG2 VAL 18 8.696 0.387 2.526 104 1HG2 VAL 18 1HG1 VAL 18 9.260 2.321 0.965 105 2HG2 VAL 18 2HG1 VAL 18 8.623 1.454 -0.456 106 3HG2 VAL 18 3HG1 VAL 18 8.011 3.075 -0.046 107 H GLY 19 H GLY 19 6.116 1.770 -1.957 108 1HA GLY 19 1HA GLY 19 6.523 0.340 -3.909 109 2HA GLY 19 2HA GLY 19 6.388 -1.100 -2.916 110 H ARG 20 H ARG 20 4.527 1.505 -4.420 111 HA ARG 20 HA ARG 20 2.068 -0.252 -4.756 112 1HB ARG 20 1HB ARG 20 2.387 0.823 -2.427 113 2HB ARG 20 2HB ARG 20 2.101 2.399 -3.183 114 1HG ARG 20 2HG ARG 20 -0.079 1.897 -3.810 115 2HG ARG 20 1HG ARG 20 0.104 0.187 -3.574 116 1HD ARG 20 1HD ARG 20 -1.266 1.177 -1.783 117 2HD ARG 20 2HD ARG 20 0.139 0.326 -1.171 118 HE ARG 20 HE ARG 20 1.139 2.892 -1.102 119 1HH1 ARG 20 1HH1 ARG 20 -2.039 1.721 -0.013 120 2HH1 ARG 20 2HH1 ARG 20 -2.067 2.996 1.307 121 1HH2 ARG 20 1HH2 ARG 20 1.003 4.284 0.442 122 2HH2 ARG 20 2HH2 ARG 20 -0.462 4.346 1.545 123 HA HYP 21 HA HYP 21 1.283 1.924 -8.621 124 1HB HYP 21 1HB HYP 21 -1.144 2.006 -9.007 125 2HB HYP 21 2HB HYP 21 -1.472 2.440 -7.322 126 1HD HYP 21 1HD HYP 21 0.775 -0.668 -6.561 127 2HD HYP 21 2HD HYP 21 -0.237 0.252 -5.441 128 HOD HYP 21 HOD HYP 21 0.328 -0.194 -8.937 129 HG HYP 21 HG HYP 21 -1.872 0.124 -7.164 130 HA HYP 22 HA HYP 22 1.841 6.390 -8.413 131 1HB HYP 22 1HB HYP 22 1.301 7.413 -10.538 132 2HB HYP 22 2HB HYP 22 -0.272 6.606 -10.640 133 1HD HYP 22 1HD HYP 22 1.634 3.261 -10.275 134 2HD HYP 22 2HD HYP 22 -0.072 3.703 -10.543 135 HOD HYP 22 HOD HYP 22 3.065 5.414 -10.163 136 HG HYP 22 HG HYP 22 0.978 5.205 -12.084 137 H TYR 23 H TYR 23 -1.574 5.529 -8.246 138 HA TYR 23 HA TYR 23 -2.425 8.193 -7.184 139 1HB TYR 23 2HB TYR 23 -4.666 7.169 -6.923 140 2HB TYR 23 1HB TYR 23 -4.053 7.045 -8.536 141 HD1 TYR 23 HD1 TYR 23 -4.990 5.081 -5.510 142 HD2 TYR 23 HD2 TYR 23 -3.468 4.802 -9.525 143 HE1 TYR 23 HE1 TYR 23 -5.306 2.645 -5.470 144 HE2 TYR 23 HE2 TYR 23 -3.804 2.372 -9.478 145 HH TYR 23 HH TYR 23 -4.457 0.618 -8.276 146 H CYS 24 H CYS 24 -1.309 5.259 -5.767 147 HA CYS 24 HA CYS 24 -2.308 5.997 -2.982 148 1HB CYS 24 2HB CYS 24 -1.579 3.283 -4.283 149 2HB CYS 24 1HB CYS 24 -1.532 3.431 -2.595 150 H ASP 25 H ASP 25 0.440 5.865 -4.878 151 HA ASP 25 HA ASP 25 2.357 6.126 -2.520 152 1HB ASP 25 2HB ASP 25 2.970 4.439 -4.334 153 2HB ASP 25 1HB ASP 25 3.116 5.747 -5.492 154 HD2 ASP 25 HD2 ASP 25 4.746 7.071 -5.327 155 H ARG 26 H ARG 26 1.048 7.823 -5.351 156 HA ARG 26 HA ARG 26 2.534 10.367 -4.927 157 1HB ARG 26 1HB ARG 26 1.500 9.723 -7.096 158 2HB ARG 26 2HB ARG 26 -0.104 9.810 -6.375 159 1HG ARG 26 1HG ARG 26 0.139 11.887 -7.527 160 2HG ARG 26 2HG ARG 26 0.341 12.276 -5.835 161 1HD ARG 26 1HD ARG 26 2.033 13.534 -6.894 162 2HD ARG 26 2HD ARG 26 2.926 12.176 -6.211 163 HE ARG 26 HE ARG 26 2.173 11.529 -8.983 164 1HH1 ARG 26 2HH2 ARG 26 4.404 13.656 -7.210 165 2HH1 ARG 26 1HH2 ARG 26 5.547 13.677 -8.645 166 1HH2 ARG 26 2HH1 ARG 26 3.546 11.623 -10.554 167 2HH2 ARG 26 1HH1 ARG 26 5.092 12.602 -10.411 168 HA HYP 27 HA HYP 27 0.505 11.319 -1.013 169 1HB HYP 27 1HB HYP 27 0.474 14.237 -1.966 170 2HB HYP 27 2HB HYP 27 0.932 13.587 -0.380 171 1HD HYP 27 1HD HYP 27 2.131 13.012 -4.142 172 2HD HYP 27 2HD HYP 27 3.101 11.719 -3.387 173 HOD HYP 27 HOD HYP 27 2.760 11.711 -0.860 174 HG HYP 27 HG HYP 27 2.838 14.209 -2.215 175 H SER 28 H SER 28 -1.440 10.514 -0.836 176 HA SER 28 HA SER 28 -3.785 11.363 -2.327 177 1HB SER 28 2HB SER 28 -3.549 9.348 -0.031 178 2HB SER 28 1HB SER 28 -4.979 9.588 -1.039 179 HG SER 28 HG SER 28 -3.641 7.943 -1.800 180 H GLY 29 H GLY 29 -4.472 13.561 -1.699 181 1HA GLY 29 2HA GLY 29 -6.212 13.798 0.641 182 2HA GLY 29 1HA GLY 29 -4.658 14.542 1.016 183 H GLY 30 H GLY 30 -4.103 16.451 -0.020 184 1HA GLY 30 1HA GLY 30 -6.354 18.035 -1.324 185 2HA GLY 30 2HA GLY 30 -4.872 18.681 -0.655 186 1HN NH2 31 1HN NH2 31 -6.338 17.440 -3.541 187 2HN NH2 31 2HN NH2 31 -4.891 17.723 -4.633 Start of MODEL 11 1 1H GLY 1 1H GLY 1 1.704 -1.637 -9.041 2 2H GLY 1 2H GLY 1 2.583 -2.451 -10.153 3 1HA GLY 1 1HA GLY 1 -0.003 -3.390 -9.026 4 2HA GLY 1 2HA GLY 1 0.959 -4.263 -10.214 5 H CYS 2 H CYS 2 0.646 -3.443 -6.881 6 HA CYS 2 HA CYS 2 3.344 -4.487 -6.059 7 1HB CYS 2 2HB CYS 2 2.311 -2.476 -4.916 8 2HB CYS 2 1HB CYS 2 1.046 -3.525 -4.276 9 H CYS 3 H CYS 3 0.003 -5.411 -5.045 10 HA CYS 3 HA CYS 3 1.080 -8.183 -4.288 11 1HB CYS 3 2HB CYS 3 0.145 -6.231 -2.548 12 2HB CYS 3 1HB CYS 3 -1.332 -7.120 -2.862 13 H GLY 4 H GLY 4 -2.508 -7.327 -4.559 14 1HA GLY 4 1HA GLY 4 -3.826 -7.532 -6.569 15 2HA GLY 4 2HA GLY 4 -2.501 -8.276 -7.415 16 HA PRO 5 HA PRO 5 -5.758 -11.524 -6.284 17 1HB PRO 5 2HB PRO 5 -6.389 -12.445 -8.802 18 2HB PRO 5 1HB PRO 5 -7.008 -10.935 -8.125 19 1HG PRO 5 2HG PRO 5 -4.620 -11.279 -10.015 20 2HG PRO 5 1HG PRO 5 -6.003 -10.165 -10.176 21 1HD PRO 5 2HD PRO 5 -3.572 -9.374 -9.066 22 2HD PRO 5 1HD PRO 5 -5.120 -8.671 -8.518 23 H TYR 6 H TYR 6 -2.616 -11.823 -6.874 24 HA TYR 6 HA TYR 6 -2.506 -14.787 -7.546 25 1HB TYR 6 2HB TYR 6 -0.206 -12.776 -7.212 26 2HB TYR 6 1HB TYR 6 0.011 -14.483 -7.471 27 HD1 TYR 6 HD1 TYR 6 -0.534 -15.532 -9.687 28 HD2 TYR 6 HD2 TYR 6 -1.083 -11.307 -9.067 29 HE1 TYR 6 HE1 TYR 6 -0.717 -15.190 -12.113 30 HE2 TYR 6 HE2 TYR 6 -1.269 -10.982 -11.493 31 HH TYR 6 HH TYR 6 -1.251 -11.946 -13.494 32 HA HYP 7 HA HYP 7 -0.967 -15.143 -2.935 33 1HB HYP 7 1HB HYP 7 0.277 -13.398 -2.140 34 2HB HYP 7 2HB HYP 7 -1.161 -12.913 -1.231 35 1HD HYP 7 1HD HYP 7 0.160 -12.490 -4.944 36 2HD HYP 7 2HD HYP 7 -1.419 -11.707 -5.228 37 HOD HYP 7 HOD HYP 7 0.103 -10.246 -3.524 38 HG HYP 7 HG HYP 7 -1.831 -11.317 -2.939 39 H ASN 8 H ASN 8 -2.184 -15.131 -0.752 40 HA ASN 8 HA ASN 8 -4.657 -16.406 -1.655 41 1HB ASN 8 1HB ASN 8 -2.960 -17.417 -0.076 42 2HB ASN 8 2HB ASN 8 -3.462 -16.308 1.178 43 1HD2 ASN 8 2HD2 ASN 8 -4.458 -19.081 -0.769 44 2HD2 ASN 8 1HD2 ASN 8 -5.816 -19.593 0.354 45 H ALA 9 H ALA 9 -4.337 -14.087 1.128 46 HA ALA 9 HA ALA 9 -7.341 -13.824 1.121 47 1HB ALA 9 1HB ALA 9 -5.257 -12.885 3.192 48 2HB ALA 9 2HB ALA 9 -6.132 -14.439 3.234 49 3HB ALA 9 3HB ALA 9 -7.022 -12.916 3.421 50 H ALA 10 H ALA 10 -6.633 -12.682 -0.985 51 HA ALA 10 HA ALA 10 -6.394 -10.759 -2.307 52 1HB ALA 10 1HB ALA 10 -8.751 -9.684 -0.676 53 2HB ALA 10 2HB ALA 10 -8.837 -10.789 -2.098 54 3HB ALA 10 3HB ALA 10 -8.202 -9.148 -2.287 55 H CYS 11 H CYS 11 -4.419 -10.644 -0.813 56 HA CYS 11 HA CYS 11 -3.828 -7.990 0.362 57 1HB CYS 11 2HB CYS 11 -2.322 -9.919 0.701 58 2HB CYS 11 1HB CYS 11 -2.019 -10.085 -1.031 59 H HIS 12 H HIS 12 -4.064 -6.118 -0.776 60 HA HIS 12 HA HIS 12 -4.566 -6.243 -3.745 61 1HB HIS 12 2HB HIS 12 -5.190 -4.168 -1.557 62 2HB HIS 12 1HB HIS 12 -5.405 -3.775 -3.230 63 HD1 HIS 12 HD1 HIS 12 -7.212 -5.455 -4.704 64 HD2 HIS 12 HD2 HIS 12 -7.215 -5.507 -0.408 65 HE1 HIS 12 HE1 HIS 12 -9.419 -6.443 -3.817 66 HE2 HIS 12 HE2 HIS 12 -9.528 -6.509 -1.242 67 HA HYP 13 HA HYP 13 -0.991 -3.847 -5.285 68 1HB HYP 13 1HB HYP 13 -1.523 -2.940 -7.393 69 2HB HYP 13 2HB HYP 13 -2.941 -2.069 -6.796 70 1HD HYP 13 1HD HYP 13 -4.352 -5.582 -5.775 71 2HD HYP 13 2HD HYP 13 -4.906 -3.908 -5.588 72 HOD HYP 13 HOD HYP 13 -2.152 -4.942 -8.400 73 HG HYP 13 HG HYP 13 -4.069 -3.843 -7.851 74 H CYS 14 H CYS 14 -3.712 -1.604 -4.472 75 HA CYS 14 HA CYS 14 -1.874 0.333 -3.064 76 1HB CYS 14 1HB CYS 14 -3.541 1.394 -4.206 77 2HB CYS 14 2HB CYS 14 -4.896 0.311 -3.688 78 H GLY 15 H GLY 15 -3.093 -2.750 -2.254 79 1HA GLY 15 1HA GLY 15 -3.732 -2.357 0.578 80 2HA GLY 15 2HA GLY 15 -3.203 -3.858 -0.163 81 H CYS 16 H CYS 16 -0.688 -2.640 -1.226 82 HA CYS 16 HA CYS 16 1.258 -2.981 0.928 83 1HB CYS 16 1HB CYS 16 1.373 -1.708 -1.902 84 2HB CYS 16 2HB CYS 16 2.786 -1.819 -0.885 85 H LYS 17 H LYS 17 2.255 -1.551 2.188 86 HA LYS 17 HA LYS 17 1.480 1.407 2.236 87 1HB LYS 17 2HB LYS 17 2.954 -0.369 4.256 88 2HB LYS 17 1HB LYS 17 2.873 1.383 4.358 89 1HG LYS 17 2HG LYS 17 0.301 1.191 4.257 90 2HG LYS 17 1HG LYS 17 0.459 -0.548 4.426 91 1HD LYS 17 2HD LYS 17 1.490 1.530 6.493 92 2HD LYS 17 1HD LYS 17 -0.090 0.791 6.526 93 1HE LYS 17 2HE LYS 17 1.122 -0.427 8.136 94 2HE LYS 17 1HE LYS 17 0.990 -1.526 6.766 95 1HZ LYS 17 1HZ LYS 17 3.288 -0.908 6.156 96 2HZ LYS 17 2HZ LYS 17 3.222 -1.507 7.695 97 3HZ LYS 17 3HZ LYS 17 3.388 0.118 7.447 98 H VAL 18 H VAL 18 3.925 -0.447 0.911 99 HA VAL 18 HA VAL 18 5.690 1.957 0.537 100 HB VAL 18 HB VAL 18 6.554 1.022 2.617 101 1HG1 VAL 18 1HG1 VAL 18 7.753 -1.110 2.858 102 2HG1 VAL 18 2HG1 VAL 18 7.379 -1.578 1.183 103 3HG1 VAL 18 3HG1 VAL 18 6.076 -1.436 2.386 104 1HG2 VAL 18 1HG2 VAL 18 8.101 2.220 1.089 105 2HG2 VAL 18 2HG2 VAL 18 8.955 0.997 2.052 106 3HG2 VAL 18 3HG2 VAL 18 8.585 0.679 0.338 107 H GLY 19 H GLY 19 5.908 2.046 -1.561 108 1HA GLY 19 2HA GLY 19 6.612 1.414 -3.779 109 2HA GLY 19 1HA GLY 19 6.940 -0.208 -3.217 110 H ARG 20 H ARG 20 4.390 1.959 -4.295 111 HA ARG 20 HA ARG 20 2.799 -0.314 -5.517 112 1HB ARG 20 2HB ARG 20 0.763 0.332 -4.380 113 2HB ARG 20 1HB ARG 20 1.971 -0.274 -3.270 114 1HG ARG 20 2HG ARG 20 1.105 2.664 -3.625 115 2HG ARG 20 1HG ARG 20 0.498 1.498 -2.445 116 1HD ARG 20 1HD ARG 20 2.891 1.290 -1.498 117 2HD ARG 20 2HD ARG 20 3.329 2.663 -2.535 118 HE ARG 20 HE ARG 20 0.913 3.106 -0.800 119 1HH1 ARG 20 1HH2 ARG 20 4.439 3.539 -1.016 120 2HH1 ARG 20 2HH2 ARG 20 4.388 4.790 0.324 121 1HH2 ARG 20 2HH1 ARG 20 0.981 4.534 0.742 122 2HH2 ARG 20 1HH1 ARG 20 2.563 5.314 1.249 123 HA HYP 21 HA HYP 21 1.005 1.962 -8.819 124 1HB HYP 21 1HB HYP 21 -1.449 1.971 -8.780 125 2HB HYP 21 2HB HYP 21 -1.500 2.306 -7.044 126 1HD HYP 21 1HD HYP 21 1.077 -0.685 -7.203 127 2HD HYP 21 2HD HYP 21 0.330 -0.198 -5.684 128 HOD HYP 21 HOD HYP 21 -1.731 -0.300 -9.097 129 HG HYP 21 HG HYP 21 -1.733 0.009 -6.843 130 HA HYP 22 HA HYP 22 1.593 6.399 -8.443 131 1HB HYP 22 1HB HYP 22 0.865 7.518 -10.462 132 2HB HYP 22 2HB HYP 22 -0.703 6.702 -10.469 133 1HD HYP 22 1HD HYP 22 -0.452 3.778 -10.518 134 2HD HYP 22 2HD HYP 22 1.280 3.361 -10.402 135 HOD HYP 22 HOD HYP 22 2.677 5.534 -10.329 136 HG HYP 22 HG HYP 22 0.434 5.366 -12.069 137 H TYR 23 H TYR 23 -1.863 5.626 -8.206 138 HA TYR 23 HA TYR 23 -2.599 8.191 -6.896 139 1HB TYR 23 2HB TYR 23 -4.836 7.200 -6.630 140 2HB TYR 23 1HB TYR 23 -4.273 7.076 -8.262 141 HD1 TYR 23 HD1 TYR 23 -5.337 5.147 -5.301 142 HD2 TYR 23 HD2 TYR 23 -3.565 4.780 -9.206 143 HE1 TYR 23 HE1 TYR 23 -5.666 2.710 -5.236 144 HE2 TYR 23 HE2 TYR 23 -3.902 2.349 -9.122 145 HH TYR 23 HH TYR 23 -5.376 0.780 -6.282 146 H CYS 24 H CYS 24 -1.434 5.195 -5.679 147 HA CYS 24 HA CYS 24 -2.397 5.738 -2.838 148 1HB CYS 24 2HB CYS 24 -1.907 3.131 -4.384 149 2HB CYS 24 1HB CYS 24 -1.711 3.066 -2.682 150 H ASP 25 H ASP 25 0.309 5.771 -4.770 151 HA ASP 25 HA ASP 25 2.254 5.765 -2.421 152 1HB ASP 25 2HB ASP 25 2.800 4.367 -4.525 153 2HB ASP 25 1HB ASP 25 2.994 5.859 -5.419 154 HD2 ASP 25 HD2 ASP 25 4.581 7.219 -4.765 155 H ARG 26 H ARG 26 0.721 7.837 -4.798 156 HA ARG 26 HA ARG 26 2.212 10.334 -4.279 157 1HB ARG 26 1HB ARG 26 0.879 10.014 -6.237 158 2HB ARG 26 2HB ARG 26 -0.566 9.592 -5.316 159 1HG ARG 26 1HG ARG 26 -0.797 11.969 -4.547 160 2HG ARG 26 2HG ARG 26 0.712 12.385 -5.351 161 1HD ARG 26 1HD ARG 26 -1.117 13.118 -6.775 162 2HD ARG 26 2HD ARG 26 -0.272 11.803 -7.593 163 HE ARG 26 HE ARG 26 -2.591 10.733 -6.098 164 1HH1 ARG 26 2HH2 ARG 26 -1.822 12.539 -9.062 165 2HH1 ARG 26 1HH2 ARG 26 -3.369 11.939 -9.846 166 1HH2 ARG 26 1HH1 ARG 26 -4.322 10.112 -7.086 167 2HH2 ARG 26 2HH1 ARG 26 -4.688 10.658 -8.799 168 HA HYP 27 HA HYP 27 0.991 11.377 -0.110 169 1HB HYP 27 1HB HYP 27 0.124 14.145 -1.113 170 2HB HYP 27 2HB HYP 27 1.122 13.734 0.291 171 1HD HYP 27 1HD HYP 27 2.703 12.102 -3.203 172 2HD HYP 27 2HD HYP 27 1.275 13.080 -3.630 173 HOD HYP 27 HOD HYP 27 3.400 13.712 -0.242 174 HG HYP 27 HG HYP 27 2.270 14.551 -2.034 175 H SER 28 H SER 28 -0.710 10.160 0.488 176 HA SER 28 HA SER 28 -3.484 10.660 -0.230 177 1HB SER 28 1HB SER 28 -2.542 8.409 0.118 178 2HB SER 28 2HB SER 28 -2.326 8.724 1.845 179 HG SER 28 HG SER 28 -4.588 9.106 1.953 180 H GLY 29 H GLY 29 -4.200 12.771 0.635 181 1HA GLY 29 2HA GLY 29 -5.204 12.792 3.387 182 2HA GLY 29 1HA GLY 29 -3.719 13.742 3.310 183 H GLY 30 H GLY 30 -3.764 15.713 2.245 184 1HA GLY 30 2HA GLY 30 -5.826 16.694 0.421 185 2HA GLY 30 1HA GLY 30 -6.312 17.160 2.053 186 1HN NH2 31 1HN NH2 31 -5.161 18.852 3.060 187 2HN NH2 31 2HN NH2 31 -3.828 19.787 2.215 Start of MODEL 12 1 1H GLY 1 1H GLY 1 7.206 -7.019 -6.169 2 2H GLY 1 2H GLY 1 6.381 -6.067 -5.127 3 1HA GLY 1 1HA GLY 1 5.011 -7.907 -5.899 4 2HA GLY 1 2HA GLY 1 6.222 -9.027 -5.278 5 H CYS 2 H CYS 2 3.607 -6.935 -4.452 6 HA CYS 2 HA CYS 2 3.927 -7.307 -1.455 7 1HB CYS 2 2HB CYS 2 3.383 -5.044 -2.427 8 2HB CYS 2 1HB CYS 2 1.813 -5.654 -2.966 9 H CYS 3 H CYS 3 0.848 -7.457 -3.278 10 HA CYS 3 HA CYS 3 0.655 -10.419 -3.003 11 1HB CYS 3 2HB CYS 3 -0.181 -9.780 -0.757 12 2HB CYS 3 1HB CYS 3 -1.431 -8.760 -1.465 13 H GLY 4 H GLY 4 -1.917 -7.900 -3.443 14 1HA GLY 4 1HA GLY 4 -2.188 -6.905 -5.753 15 2HA GLY 4 2HA GLY 4 -1.737 -8.420 -6.489 16 HA PRO 5 HA PRO 5 -6.415 -7.717 -6.293 17 1HB PRO 5 1HB PRO 5 -7.080 -7.645 -8.968 18 2HB PRO 5 2HB PRO 5 -6.337 -6.314 -8.085 19 1HG PRO 5 2HG PRO 5 -4.920 -8.398 -9.829 20 2HG PRO 5 1HG PRO 5 -4.771 -6.623 -9.895 21 1HD PRO 5 2HD PRO 5 -2.946 -8.180 -8.492 22 2HD PRO 5 1HD PRO 5 -3.414 -6.563 -7.902 23 H TYR 6 H TYR 6 -5.876 -9.996 -5.382 24 HA TYR 6 HA TYR 6 -8.246 -11.580 -6.383 25 1HB TYR 6 1HB TYR 6 -5.566 -13.001 -5.793 26 2HB TYR 6 2HB TYR 6 -7.110 -13.798 -5.843 27 HD1 TYR 6 HD1 TYR 6 -4.371 -12.520 -7.895 28 HD2 TYR 6 HD2 TYR 6 -8.464 -13.841 -8.051 29 HE1 TYR 6 HE1 TYR 6 -4.182 -12.839 -10.322 30 HE2 TYR 6 HE2 TYR 6 -8.262 -14.155 -10.479 31 HH TYR 6 HH TYR 6 -6.939 -14.012 -12.257 32 HA HYP 7 HA HYP 7 -7.992 -9.948 -2.004 33 1HB HYP 7 1HB HYP 7 -11.004 -10.444 -2.147 34 2HB HYP 7 2HB HYP 7 -10.114 -9.104 -1.395 35 1HD HYP 7 1HD HYP 7 -9.099 -9.559 -5.439 36 2HD HYP 7 2HD HYP 7 -10.361 -10.743 -5.012 37 HOD HYP 7 HOD HYP 7 -9.829 -7.317 -2.910 38 HG HYP 7 HG HYP 7 -11.237 -8.826 -3.876 39 H ASN 8 H ASN 8 -7.435 -10.998 -0.265 40 HA ASN 8 HA ASN 8 -9.041 -13.328 0.816 41 1HB ASN 8 1HB ASN 8 -6.003 -13.569 0.307 42 2HB ASN 8 2HB ASN 8 -6.896 -14.614 1.384 43 1HD2 ASN 8 2HD2 ASN 8 -8.484 -16.082 0.462 44 2HD2 ASN 8 1HD2 ASN 8 -8.338 -16.569 -1.302 45 H ALA 9 H ALA 9 -5.855 -12.047 1.814 46 HA ALA 9 HA ALA 9 -7.108 -11.094 4.437 47 1HB ALA 9 1HB ALA 9 -4.154 -11.662 3.783 48 2HB ALA 9 2HB ALA 9 -4.795 -11.101 5.346 49 3HB ALA 9 3HB ALA 9 -5.260 -12.697 4.722 50 H ALA 10 H ALA 10 -4.183 -9.694 3.041 51 HA ALA 10 HA ALA 10 -5.652 -7.024 2.546 52 1HB ALA 10 1HB ALA 10 -2.657 -7.491 3.162 53 2HB ALA 10 2HB ALA 10 -3.452 -5.926 2.910 54 3HB ALA 10 3HB ALA 10 -3.868 -6.899 4.341 55 H CYS 11 H CYS 11 -5.765 -9.072 0.583 56 HA CYS 11 HA CYS 11 -3.509 -8.639 -1.317 57 1HB CYS 11 2HB CYS 11 -4.741 -10.906 -0.759 58 2HB CYS 11 1HB CYS 11 -5.828 -10.411 -2.059 59 H HIS 12 H HIS 12 -3.563 -6.701 -2.084 60 HA HIS 12 HA HIS 12 -5.779 -5.711 -3.924 61 1HB HIS 12 1HB HIS 12 -4.667 -4.291 -1.394 62 2HB HIS 12 2HB HIS 12 -5.460 -3.391 -2.639 63 HD1 HIS 12 HD1 HIS 12 -8.209 -4.261 -3.174 64 HD2 HIS 12 HD2 HIS 12 -6.224 -5.298 0.495 65 HE1 HIS 12 HE1 HIS 12 -9.928 -4.963 -1.386 66 HE2 HIS 12 HE2 HIS 12 -8.837 -5.607 0.859 67 HA HYP 13 HA HYP 13 -2.194 -4.063 -6.346 68 1HB HYP 13 1HB HYP 13 -3.842 -1.514 -6.629 69 2HB HYP 13 2HB HYP 13 -2.933 -2.395 -7.845 70 1HD HYP 13 1HD HYP 13 -5.934 -3.336 -5.319 71 2HD HYP 13 2HD HYP 13 -5.727 -4.948 -6.060 72 HOD HYP 13 HOD HYP 13 -3.942 -4.843 -7.914 73 HG HYP 13 HG HYP 13 -5.685 -2.628 -7.582 74 H CYS 14 H CYS 14 -3.650 -1.511 -4.237 75 HA CYS 14 HA CYS 14 -0.876 -0.968 -3.108 76 1HB CYS 14 2HB CYS 14 -1.716 1.047 -4.304 77 2HB CYS 14 1HB CYS 14 -3.101 1.170 -3.247 78 H GLY 15 H GLY 15 -1.892 -3.076 -2.195 79 1HA GLY 15 2HA GLY 15 -3.435 -2.772 0.364 80 2HA GLY 15 1HA GLY 15 -2.528 -4.191 -0.146 81 H CYS 16 H CYS 16 -0.130 -2.727 -0.756 82 HA CYS 16 HA CYS 16 1.374 -2.604 1.831 83 1HB CYS 16 1HB CYS 16 1.985 -2.428 -1.190 84 2HB CYS 16 2HB CYS 16 3.111 -1.646 -0.140 85 H LYS 17 H LYS 17 2.433 -0.838 2.602 86 HA LYS 17 HA LYS 17 1.478 1.982 1.863 87 1HB LYS 17 1HB LYS 17 2.931 0.861 4.310 88 2HB LYS 17 2HB LYS 17 2.668 2.581 4.015 89 1HG LYS 17 1HG LYS 17 0.165 2.180 3.901 90 2HG LYS 17 2HG LYS 17 0.425 0.474 4.267 91 1HD LYS 17 2HD LYS 17 1.481 1.091 6.473 92 2HD LYS 17 1HD LYS 17 1.269 2.801 6.136 93 1HE LYS 17 1HE LYS 17 -1.053 0.767 6.424 94 2HE LYS 17 2HE LYS 17 -0.444 1.786 7.726 95 1HZ LYS 17 1HZ LYS 17 -1.076 3.755 6.438 96 2HZ LYS 17 2HZ LYS 17 -1.654 2.816 5.208 97 3HZ LYS 17 3HZ LYS 17 -2.381 2.772 6.690 98 H VAL 18 H VAL 18 4.023 -0.005 1.048 99 HA VAL 18 HA VAL 18 5.754 2.318 0.255 100 HB VAL 18 HB VAL 18 6.580 1.795 2.497 101 1HG1 VAL 18 1HG1 VAL 18 7.806 -0.242 3.140 102 2HG1 VAL 18 2HG1 VAL 18 7.466 -1.009 1.571 103 3HG1 VAL 18 3HG1 VAL 18 6.141 -0.671 2.709 104 1HG2 VAL 18 1HG2 VAL 18 8.146 2.721 0.808 105 2HG2 VAL 18 2HG2 VAL 18 8.667 1.079 0.358 106 3HG2 VAL 18 3HG2 VAL 18 8.994 1.709 1.993 107 H GLY 19 H GLY 19 6.128 2.005 -1.803 108 1HA GLY 19 2HA GLY 19 6.752 0.902 -3.884 109 2HA GLY 19 1HA GLY 19 6.878 -0.634 -3.051 110 H ARG 20 H ARG 20 4.537 1.726 -4.256 111 HA ARG 20 HA ARG 20 2.582 -0.397 -5.163 112 1HB ARG 20 2HB ARG 20 0.854 0.241 -3.703 113 2HB ARG 20 1HB ARG 20 2.242 -0.124 -2.726 114 1HG ARG 20 2HG ARG 20 1.027 2.621 -3.353 115 2HG ARG 20 1HG ARG 20 0.916 1.654 -1.871 116 1HD ARG 20 2HD ARG 20 3.415 1.935 -1.517 117 2HD ARG 20 1HD ARG 20 3.453 3.038 -2.910 118 HE ARG 20 HE ARG 20 1.391 3.882 -0.970 119 1HH1 ARG 20 2HH1 ARG 20 4.913 3.949 -1.458 120 2HH1 ARG 20 1HH1 ARG 20 5.057 5.423 -0.375 121 1HH2 ARG 20 2HH2 ARG 20 1.673 5.572 0.248 122 2HH2 ARG 20 1HH2 ARG 20 3.343 6.279 0.526 123 HA HYP 21 HA HYP 21 0.989 1.895 -8.449 124 1HB HYP 21 1HB HYP 21 -1.463 2.020 -8.521 125 2HB HYP 21 2HB HYP 21 -1.569 2.422 -6.799 126 1HD HYP 21 1HD HYP 21 0.033 -0.014 -5.214 127 2HD HYP 21 2HD HYP 21 0.820 -0.686 -6.602 128 HOD HYP 21 HOD HYP 21 -1.717 -0.257 -8.816 129 HG HYP 21 HG HYP 21 -1.931 0.128 -6.586 130 HA HYP 22 HA HYP 22 1.570 6.390 -8.366 131 1HB HYP 22 1HB HYP 22 0.923 7.316 -10.490 132 2HB HYP 22 2HB HYP 22 -0.630 6.473 -10.508 133 1HD HYP 22 1HD HYP 22 -0.341 3.571 -10.309 134 2HD HYP 22 2HD HYP 22 1.389 3.181 -10.099 135 HOD HYP 22 HOD HYP 22 2.604 6.060 -11.560 136 HG HYP 22 HG HYP 22 0.601 5.042 -11.944 137 H TYR 23 H TYR 23 -1.902 5.547 -8.317 138 HA TYR 23 HA TYR 23 -2.822 8.156 -7.253 139 1HB TYR 23 1HB TYR 23 -5.017 7.062 -6.966 140 2HB TYR 23 2HB TYR 23 -4.379 6.863 -8.562 141 HD1 TYR 23 HD1 TYR 23 -5.166 5.042 -5.384 142 HD2 TYR 23 HD2 TYR 23 -3.791 4.600 -9.438 143 HE1 TYR 23 HE1 TYR 23 -5.384 2.603 -5.201 144 HE2 TYR 23 HE2 TYR 23 -4.039 2.167 -9.251 145 HH TYR 23 HH TYR 23 -4.595 0.461 -7.938 146 H CYS 24 H CYS 24 -1.547 5.338 -5.699 147 HA CYS 24 HA CYS 24 -2.793 5.876 -3.014 148 1HB CYS 24 1HB CYS 24 -2.683 3.567 -4.007 149 2HB CYS 24 2HB CYS 24 -0.938 3.613 -4.052 150 H ASP 25 H ASP 25 0.113 6.429 -4.624 151 HA ASP 25 HA ASP 25 1.609 7.341 -2.125 152 1HB ASP 25 2HB ASP 25 2.890 5.838 -3.710 153 2HB ASP 25 1HB ASP 25 2.672 6.996 -5.007 154 HD2 ASP 25 HD2 ASP 25 5.154 7.943 -1.902 155 H ARG 26 H ARG 26 -0.020 8.479 -5.028 156 HA ARG 26 HA ARG 26 0.738 11.350 -4.824 157 1HB ARG 26 1HB ARG 26 -0.061 10.350 -6.871 158 2HB ARG 26 2HB ARG 26 -1.564 9.811 -6.124 159 1HG ARG 26 1HG ARG 26 -2.323 12.201 -5.898 160 2HG ARG 26 2HG ARG 26 -0.772 12.756 -6.515 161 1HD ARG 26 1HD ARG 26 -2.359 12.888 -8.338 162 2HD ARG 26 2HD ARG 26 -1.205 11.610 -8.725 163 HE ARG 26 HE ARG 26 -3.590 10.438 -7.429 164 1HH1 ARG 26 2HH1 ARG 26 -2.565 11.835 -10.534 165 2HH1 ARG 26 1HH1 ARG 26 -3.863 10.877 -11.409 166 1HH2 ARG 26 2HH2 ARG 26 -5.029 9.397 -8.526 167 2HH2 ARG 26 1HH2 ARG 26 -5.163 9.590 -10.346 168 HA HYP 27 HA HYP 27 -1.492 12.541 -1.137 169 1HB HYP 27 1HB HYP 27 -2.737 14.849 -2.734 170 2HB HYP 27 2HB HYP 27 -1.994 14.885 -1.127 171 1HD HYP 27 1HD HYP 27 0.623 13.279 -3.939 172 2HD HYP 27 2HD HYP 27 -0.852 13.811 -4.790 173 HOD HYP 27 HOD HYP 27 1.279 14.798 -2.349 174 HG HYP 27 HG HYP 27 -0.591 15.670 -3.318 175 H SER 28 H SER 28 -2.956 11.017 -0.632 176 HA SER 28 HA SER 28 -5.578 10.717 -1.862 177 1HB SER 28 2HB SER 28 -5.940 8.889 -0.279 178 2HB SER 28 1HB SER 28 -4.394 8.779 -1.110 179 HG SER 28 HG SER 28 -4.233 8.356 1.101 180 H GLY 29 H GLY 29 -6.800 12.744 -1.509 181 1HA GLY 29 2HA GLY 29 -8.424 12.817 0.948 182 2HA GLY 29 1HA GLY 29 -7.171 14.057 1.015 183 H GLY 30 H GLY 30 -10.121 13.088 -0.482 184 1HA GLY 30 1HA GLY 30 -10.179 15.352 -2.508 185 2HA GLY 30 2HA GLY 30 -11.365 14.077 -2.342 186 1HN NH2 31 1HN NH2 31 -13.443 16.033 -0.121 187 2HN NH2 31 2HN NH2 31 -13.162 14.442 -0.991 Start of MODEL 13 1 1H GLY 1 1H GLY 1 8.652 -9.534 -1.757 2 2H GLY 1 2H GLY 1 7.665 -9.782 -0.478 3 1HA GLY 1 2HA GLY 1 8.365 -7.482 -0.581 4 2HA GLY 1 1HA GLY 1 7.705 -7.367 -2.210 5 H CYS 2 H CYS 2 5.456 -7.212 -2.467 6 HA CYS 2 HA CYS 2 3.759 -6.760 0.056 7 1HB CYS 2 2HB CYS 2 4.256 -4.675 -1.175 8 2HB CYS 2 1HB CYS 2 3.684 -5.353 -2.705 9 H CYS 3 H CYS 3 1.956 -6.857 -2.754 10 HA CYS 3 HA CYS 3 1.828 -9.746 -3.173 11 1HB CYS 3 1HB CYS 3 0.344 -9.750 -1.106 12 2HB CYS 3 2HB CYS 3 -0.748 -8.651 -1.931 13 H GLY 4 H GLY 4 -0.807 -7.267 -3.593 14 1HA GLY 4 1HA GLY 4 -0.737 -5.864 -5.736 15 2HA GLY 4 2HA GLY 4 -0.110 -7.241 -6.603 16 HA PRO 5 HA PRO 5 -4.806 -6.911 -7.093 17 1HB PRO 5 1HB PRO 5 -5.016 -6.616 -9.821 18 2HB PRO 5 2HB PRO 5 -4.602 -5.305 -8.708 19 1HG PRO 5 1HG PRO 5 -2.680 -7.020 -10.349 20 2HG PRO 5 2HG PRO 5 -2.715 -5.242 -10.227 21 1HD PRO 5 1HD PRO 5 -1.004 -6.803 -8.684 22 2HD PRO 5 2HD PRO 5 -1.696 -5.288 -8.032 23 H TYR 6 H TYR 6 -4.674 -9.021 -6.257 24 HA TYR 6 HA TYR 6 -5.456 -11.219 -8.234 25 1HB TYR 6 1HB TYR 6 -3.594 -11.627 -5.797 26 2HB TYR 6 2HB TYR 6 -4.170 -12.879 -6.846 27 HD1 TYR 6 HD1 TYR 6 -1.597 -10.325 -6.418 28 HD2 TYR 6 HD2 TYR 6 -3.415 -12.920 -9.332 29 HE1 TYR 6 HE1 TYR 6 0.322 -10.003 -7.907 30 HE2 TYR 6 HE2 TYR 6 -1.479 -12.595 -10.812 31 HH TYR 6 HH TYR 6 0.487 -11.601 -11.092 32 HA HYP 7 HA HYP 7 -8.833 -11.643 -5.223 33 1HB HYP 7 1HB HYP 7 -9.962 -12.693 -6.923 34 2HB HYP 7 2HB HYP 7 -9.924 -14.077 -5.810 35 1HD HYP 7 1HD HYP 7 -7.439 -12.478 -8.512 36 2HD HYP 7 2HD HYP 7 -6.275 -13.653 -7.832 37 HOD HYP 7 HOD HYP 7 -9.779 -15.017 -8.340 38 HG HYP 7 HG HYP 7 -7.981 -15.042 -6.936 39 H ASN 8 H ASN 8 -7.579 -11.556 -3.344 40 HA ASN 8 HA ASN 8 -7.978 -13.854 -1.564 41 1HB ASN 8 2HB ASN 8 -5.070 -12.873 -1.973 42 2HB ASN 8 1HB ASN 8 -5.565 -13.716 -0.534 43 1HD2 ASN 8 1HD2 ASN 8 -6.312 -15.960 -0.754 44 2HD2 ASN 8 2HD2 ASN 8 -5.633 -16.959 -2.137 45 H ALA 9 H ALA 9 -7.696 -13.146 0.719 46 HA ALA 9 HA ALA 9 -8.926 -10.624 1.217 47 1HB ALA 9 1HB ALA 9 -9.116 -12.578 2.731 48 2HB ALA 9 2HB ALA 9 -8.605 -11.137 3.636 49 3HB ALA 9 3HB ALA 9 -7.412 -12.398 3.227 50 H ALA 10 H ALA 10 -5.474 -11.316 1.939 51 HA ALA 10 HA ALA 10 -4.848 -8.447 2.521 52 1HB ALA 10 1HB ALA 10 -2.454 -9.140 2.504 53 2HB ALA 10 2HB ALA 10 -2.880 -10.732 1.851 54 3HB ALA 10 3HB ALA 10 -3.405 -10.265 3.496 55 H CYS 11 H CYS 11 -4.622 -10.470 -0.326 56 HA CYS 11 HA CYS 11 -2.776 -8.860 -1.781 57 1HB CYS 11 2HB CYS 11 -3.486 -11.366 -2.129 58 2HB CYS 11 1HB CYS 11 -4.669 -10.731 -3.285 59 H HIS 12 H HIS 12 -3.100 -6.858 -2.178 60 HA HIS 12 HA HIS 12 -5.362 -5.913 -3.975 61 1HB HIS 12 1HB HIS 12 -4.556 -4.625 -1.271 62 2HB HIS 12 2HB HIS 12 -5.499 -3.791 -2.470 63 HD1 HIS 12 HD1 HIS 12 -8.024 -5.071 -3.138 64 HD2 HIS 12 HD2 HIS 12 -5.930 -6.106 0.472 65 HE1 HIS 12 HE1 HIS 12 -9.609 -6.246 -1.481 66 HE2 HIS 12 HE2 HIS 12 -8.447 -6.910 0.722 67 HA HYP 13 HA HYP 13 -1.804 -3.706 -5.874 68 1HB HYP 13 1HB HYP 13 -3.095 -3.364 -7.739 69 2HB HYP 13 2HB HYP 13 -3.084 -1.667 -7.252 70 1HD HYP 13 1HD HYP 13 -5.863 -3.771 -4.978 71 2HD HYP 13 2HD HYP 13 -5.240 -4.883 -6.227 72 HOD HYP 13 HOD HYP 13 -5.451 -2.198 -8.399 73 HG HYP 13 HG HYP 13 -5.232 -1.836 -6.160 74 H CYS 14 H CYS 14 -4.133 -1.554 -4.239 75 HA CYS 14 HA CYS 14 -1.981 0.316 -3.198 76 1HB CYS 14 1HB CYS 14 -4.067 1.249 -4.168 77 2HB CYS 14 2HB CYS 14 -5.078 0.348 -3.009 78 H GLY 15 H GLY 15 -2.649 -2.726 -2.240 79 1HA GLY 15 1HA GLY 15 -3.306 -2.446 0.633 80 2HA GLY 15 2HA GLY 15 -2.682 -3.870 -0.164 81 H CYS 16 H CYS 16 -0.205 -2.408 -1.137 82 HA CYS 16 HA CYS 16 1.629 -3.109 0.807 83 1HB CYS 16 2HB CYS 16 2.080 -0.813 -1.240 84 2HB CYS 16 1HB CYS 16 3.282 -1.938 -0.597 85 H LYS 17 H LYS 17 3.381 -1.784 1.759 86 HA LYS 17 HA LYS 17 2.392 0.295 3.708 87 1HB LYS 17 1HB LYS 17 3.967 -1.601 4.284 88 2HB LYS 17 2HB LYS 17 5.195 -0.837 3.272 89 1HG LYS 17 1HG LYS 17 5.037 1.264 4.673 90 2HG LYS 17 2HG LYS 17 3.769 0.524 5.651 91 1HD LYS 17 1HD LYS 17 5.403 -1.300 6.365 92 2HD LYS 17 2HD LYS 17 6.672 -0.516 5.417 93 1HE LYS 17 2HE LYS 17 6.458 1.570 6.864 94 2HE LYS 17 1HE LYS 17 5.189 0.780 7.812 95 1HZ LYS 17 1HZ LYS 17 7.349 0.564 8.871 96 2HZ LYS 17 2HZ LYS 17 6.810 -0.936 8.440 97 3HZ LYS 17 3HZ LYS 17 7.994 -0.199 7.556 98 H VAL 18 H VAL 18 5.199 0.039 1.752 99 HA VAL 18 HA VAL 18 4.775 2.728 0.392 100 HB VAL 18 HB VAL 18 7.205 3.356 0.706 101 1HG1 VAL 18 1HG1 VAL 18 5.345 4.583 1.824 102 2HG1 VAL 18 2HG1 VAL 18 6.824 4.597 2.804 103 3HG1 VAL 18 3HG1 VAL 18 5.478 3.518 3.244 104 1HG2 VAL 18 1HG2 VAL 18 8.478 2.674 2.720 105 2HG2 VAL 18 2HG2 VAL 18 8.193 1.256 1.697 106 3HG2 VAL 18 3HG2 VAL 18 7.225 1.493 3.167 107 H GLY 19 H GLY 19 4.221 1.439 -1.332 108 1HA GLY 19 2HA GLY 19 6.135 1.093 -3.384 109 2HA GLY 19 1HA GLY 19 6.169 -0.480 -2.595 110 H ARG 20 H ARG 20 3.809 1.852 -3.917 111 HA ARG 20 HA ARG 20 2.154 -0.456 -5.128 112 1HB ARG 20 2HB ARG 20 1.267 2.407 -4.514 113 2HB ARG 20 1HB ARG 20 0.302 1.092 -5.108 114 1HG ARG 20 1HG ARG 20 -0.426 1.211 -2.986 115 2HG ARG 20 2HG ARG 20 0.722 -0.059 -2.805 116 1HD ARG 20 1HD ARG 20 2.362 1.503 -1.721 117 2HD ARG 20 2HD ARG 20 1.467 2.912 -2.304 118 HE ARG 20 HE ARG 20 -0.173 1.169 -0.537 119 1HH1 ARG 20 2HH2 ARG 20 2.036 3.956 -0.597 120 2HH1 ARG 20 1HH2 ARG 20 1.287 4.609 0.945 121 1HH2 ARG 20 2HH1 ARG 20 -0.927 1.990 1.247 122 2HH2 ARG 20 1HH1 ARG 20 -0.276 3.571 1.916 123 HA HYP 21 HA HYP 21 1.796 1.547 -9.230 124 1HB HYP 21 1HB HYP 21 -0.565 1.456 -9.927 125 2HB HYP 21 2HB HYP 21 -1.134 1.955 -8.331 126 1HD HYP 21 1HD HYP 21 1.081 -1.030 -7.117 127 2HD HYP 21 2HD HYP 21 -0.079 -0.101 -6.166 128 HOD HYP 21 HOD HYP 21 -0.550 -0.865 -10.107 129 HG HYP 21 HG HYP 21 -1.487 -0.346 -8.098 130 HA HYP 22 HA HYP 22 1.958 6.067 -8.950 131 1HB HYP 22 1HB HYP 22 1.304 7.140 -11.045 132 2HB HYP 22 2HB HYP 22 -0.150 6.151 -11.201 133 1HD HYP 22 1HD HYP 22 0.390 3.300 -11.225 134 2HD HYP 22 2HD HYP 22 2.118 3.028 -10.874 135 HOD HYP 22 HOD HYP 22 3.293 5.338 -10.648 136 HG HYP 22 HG HYP 22 1.319 4.965 -12.662 137 H TYR 23 H TYR 23 -1.395 4.961 -8.732 138 HA TYR 23 HA TYR 23 -2.338 7.639 -7.755 139 1HB TYR 23 2HB TYR 23 -4.570 6.640 -7.587 140 2HB TYR 23 1HB TYR 23 -3.891 6.404 -9.160 141 HD1 TYR 23 HD1 TYR 23 -3.205 4.078 -9.931 142 HD2 TYR 23 HD2 TYR 23 -5.045 4.677 -6.086 143 HE1 TYR 23 HE1 TYR 23 -3.576 1.665 -9.728 144 HE2 TYR 23 HE2 TYR 23 -5.412 2.259 -5.895 145 HH TYR 23 HH TYR 23 -4.371 0.016 -8.464 146 H CYS 24 H CYS 24 -1.120 4.827 -6.222 147 HA CYS 24 HA CYS 24 -2.383 5.509 -3.541 148 1HB CYS 24 1HB CYS 24 -2.867 3.192 -4.460 149 2HB CYS 24 2HB CYS 24 -1.150 2.806 -4.396 150 H ASP 25 H ASP 25 0.482 5.389 -5.273 151 HA ASP 25 HA ASP 25 2.272 5.500 -2.804 152 1HB ASP 25 2HB ASP 25 2.779 3.709 -4.603 153 2HB ASP 25 1HB ASP 25 3.219 4.994 -5.703 154 HD2 ASP 25 HD2 ASP 25 3.815 3.605 -2.644 155 H ARG 26 H ARG 26 1.347 7.355 -5.671 156 HA ARG 26 HA ARG 26 3.255 9.650 -5.016 157 1HB ARG 26 2HB ARG 26 0.878 9.626 -6.922 158 2HB ARG 26 1HB ARG 26 2.028 10.929 -6.696 159 1HG ARG 26 1HG ARG 26 3.930 9.446 -7.427 160 2HG ARG 26 2HG ARG 26 2.809 8.103 -7.647 161 1HD ARG 26 2HD ARG 26 1.550 9.473 -9.409 162 2HD ARG 26 1HD ARG 26 2.742 10.769 -9.220 163 HE ARG 26 HE ARG 26 4.208 8.321 -9.816 164 1HH1 ARG 26 1HH2 ARG 26 1.950 10.524 -11.459 165 2HH1 ARG 26 2HH2 ARG 26 2.667 10.069 -13.085 166 1HH2 ARG 26 2HH1 ARG 26 4.946 7.877 -11.719 167 2HH2 ARG 26 1HH1 ARG 26 4.249 8.671 -13.220 168 HA HYP 27 HA HYP 27 0.559 12.395 -2.655 169 1HB HYP 27 1HB HYP 27 0.106 14.541 -3.626 170 2HB HYP 27 2HB HYP 27 -0.452 13.850 -5.158 171 1HD HYP 27 1HD HYP 27 1.681 12.107 -6.433 172 2HD HYP 27 2HD HYP 27 3.003 12.049 -5.260 173 HOD HYP 27 HOD HYP 27 2.386 15.058 -3.729 174 HG HYP 27 HG HYP 27 1.726 14.441 -5.822 175 H SER 28 H SER 28 -0.835 10.662 -2.070 176 HA SER 28 HA SER 28 -3.355 10.119 -3.399 177 1HB SER 28 1HB SER 28 -2.289 9.125 -0.707 178 2HB SER 28 2HB SER 28 -3.724 8.511 -1.532 179 HG SER 28 HG SER 28 -2.407 8.039 -3.332 180 H GLY 29 H GLY 29 -4.716 12.088 -3.319 181 1HA GLY 29 1HA GLY 29 -6.455 12.348 -0.976 182 2HA GLY 29 2HA GLY 29 -5.262 13.648 -0.948 183 H GLY 30 H GLY 30 -5.401 15.268 -2.492 184 1HA GLY 30 1HA GLY 30 -8.055 15.577 -3.951 185 2HA GLY 30 2HA GLY 30 -6.895 16.842 -3.613 186 1HN NH2 31 1HN NH2 31 -6.561 14.875 -7.186 187 2HN NH2 31 2HN NH2 31 -7.824 14.435 -5.930 Start of MODEL 14 1 1H GLY 1 1H GLY 1 6.423 -5.761 -6.487 2 2H GLY 1 2H GLY 1 5.353 -4.661 -5.924 3 1HA GLY 1 2HA GLY 1 4.770 -6.756 -7.951 4 2HA GLY 1 1HA GLY 1 4.280 -6.811 -6.258 5 H CYS 2 H CYS 2 1.400 -4.711 -7.079 6 HA CYS 2 HA CYS 2 3.316 -5.299 -4.790 7 1HB CYS 2 2HB CYS 2 2.045 -3.186 -4.639 8 2HB CYS 2 1HB CYS 2 0.515 -4.077 -4.721 9 H CYS 3 H CYS 3 -0.190 -6.118 -5.271 10 HA CYS 3 HA CYS 3 0.401 -9.036 -4.638 11 1HB CYS 3 1HB CYS 3 -1.587 -7.269 -3.119 12 2HB CYS 3 2HB CYS 3 -1.589 -9.035 -3.086 13 H GLY 4 H GLY 4 -2.961 -7.553 -4.726 14 1HA GLY 4 2HA GLY 4 -4.377 -7.284 -6.676 15 2HA GLY 4 1HA GLY 4 -2.968 -7.483 -7.628 16 HA PRO 5 HA PRO 5 -5.511 -11.220 -8.979 17 1HB PRO 5 1HB PRO 5 -3.128 -10.890 -10.907 18 2HB PRO 5 2HB PRO 5 -4.760 -11.485 -11.274 19 1HG PRO 5 2HG PRO 5 -4.066 -8.881 -11.762 20 2HG PRO 5 1HG PRO 5 -5.690 -9.283 -11.160 21 1HD PRO 5 2HD PRO 5 -3.457 -7.944 -9.618 22 2HD PRO 5 1HD PRO 5 -5.202 -7.936 -9.335 23 H TYR 6 H TYR 6 -2.090 -11.025 -8.118 24 HA TYR 6 HA TYR 6 -2.140 -14.020 -7.399 25 1HB TYR 6 1HB TYR 6 0.344 -12.447 -8.302 26 2HB TYR 6 2HB TYR 6 0.329 -14.078 -7.692 27 HD1 TYR 6 HD1 TYR 6 -0.223 -12.001 -10.658 28 HD2 TYR 6 HD2 TYR 6 -0.921 -15.927 -9.038 29 HE1 TYR 6 HE1 TYR 6 -0.696 -12.851 -12.909 30 HE2 TYR 6 HE2 TYR 6 -1.391 -16.766 -11.300 31 HH TYR 6 HH TYR 6 -1.545 -16.273 -13.460 32 HA HYP 7 HA HYP 7 -1.514 -11.287 -3.608 33 1HB HYP 7 1HB HYP 7 -3.804 -11.792 -2.227 34 2HB HYP 7 2HB HYP 7 -3.855 -10.929 -3.764 35 1HD HYP 7 1HD HYP 7 -4.087 -12.869 -6.071 36 2HD HYP 7 2HD HYP 7 -3.559 -14.439 -5.412 37 HOD HYP 7 HOD HYP 7 -6.126 -13.418 -4.631 38 HG HYP 7 HG HYP 7 -4.360 -13.923 -3.267 39 H ASN 8 H ASN 8 -1.992 -11.951 -1.103 40 HA ASN 8 HA ASN 8 -0.780 -14.689 -0.443 41 1HB ASN 8 1HB ASN 8 -1.288 -12.294 1.435 42 2HB ASN 8 2HB ASN 8 -0.829 -13.896 1.961 43 1HD2 ASN 8 1HD2 ASN 8 0.380 -10.929 0.757 44 2HD2 ASN 8 2HD2 ASN 8 2.138 -11.446 0.670 45 H ALA 9 H ALA 9 -3.352 -12.807 1.225 46 HA ALA 9 HA ALA 9 -5.343 -15.060 0.680 47 1HB ALA 9 1HB ALA 9 -6.756 -14.027 2.480 48 2HB ALA 9 2HB ALA 9 -5.512 -12.783 2.761 49 3HB ALA 9 3HB ALA 9 -5.158 -14.496 3.099 50 H ALA 10 H ALA 10 -6.074 -11.634 1.088 51 HA ALA 10 HA ALA 10 -6.198 -11.268 -1.908 52 1HB ALA 10 1HB ALA 10 -8.644 -10.382 -0.301 53 2HB ALA 10 2HB ALA 10 -8.258 -10.034 -2.008 54 3HB ALA 10 3HB ALA 10 -8.577 -11.711 -1.525 55 H CYS 11 H CYS 11 -4.208 -10.648 -0.547 56 HA CYS 11 HA CYS 11 -4.042 -7.851 0.366 57 1HB CYS 11 2HB CYS 11 -2.224 -9.364 0.876 58 2HB CYS 11 1HB CYS 11 -1.953 -9.781 -0.818 59 H HIS 12 H HIS 12 -3.909 -5.979 -0.787 60 HA HIS 12 HA HIS 12 -4.961 -6.089 -3.632 61 1HB HIS 12 2HB HIS 12 -5.110 -4.131 -1.260 62 2HB HIS 12 1HB HIS 12 -5.325 -3.463 -2.824 63 HD1 HIS 12 HD1 HIS 12 -7.653 -4.024 -4.147 64 HD2 HIS 12 HD2 HIS 12 -6.992 -6.056 -0.417 65 HE1 HIS 12 HE1 HIS 12 -9.813 -5.188 -3.360 66 HE2 HIS 12 HE2 HIS 12 -9.524 -6.436 -1.123 67 HA HYP 13 HA HYP 13 -1.486 -3.952 -5.740 68 1HB HYP 13 1HB HYP 13 -3.478 -1.902 -6.802 69 2HB HYP 13 2HB HYP 13 -2.274 -2.841 -7.663 70 1HD HYP 13 1HD HYP 13 -5.015 -5.366 -5.711 71 2HD HYP 13 2HD HYP 13 -5.404 -3.674 -5.331 72 HOD HYP 13 HOD HYP 13 -2.932 -5.381 -7.331 73 HG HYP 13 HG HYP 13 -4.981 -3.448 -7.680 74 H CYS 14 H CYS 14 -3.858 -1.536 -4.604 75 HA CYS 14 HA CYS 14 -1.791 0.178 -3.202 76 1HB CYS 14 1HB CYS 14 -3.400 1.382 -4.280 77 2HB CYS 14 2HB CYS 14 -4.827 0.418 -3.727 78 H GLY 15 H GLY 15 -2.844 -2.873 -2.406 79 1HA GLY 15 2HA GLY 15 -3.490 -2.653 0.430 80 2HA GLY 15 1HA GLY 15 -2.742 -4.018 -0.373 81 H CYS 16 H CYS 16 -0.428 -2.544 -1.374 82 HA CYS 16 HA CYS 16 1.651 -2.799 0.527 83 1HB CYS 16 1HB CYS 16 1.243 -1.355 -2.122 84 2HB CYS 16 2HB CYS 16 2.591 -0.757 -1.236 85 H LYS 17 H LYS 17 2.704 -1.575 1.877 86 HA LYS 17 HA LYS 17 1.695 1.188 2.717 87 1HB LYS 17 1HB LYS 17 3.452 -0.829 4.218 88 2HB LYS 17 2HB LYS 17 3.154 0.827 4.737 89 1HG LYS 17 2HG LYS 17 0.627 0.307 4.672 90 2HG LYS 17 1HG LYS 17 1.021 -1.387 4.438 91 1HD LYS 17 2HD LYS 17 1.894 0.315 6.886 92 2HD LYS 17 1HD LYS 17 0.440 -0.647 6.802 93 1HE LYS 17 1HE LYS 17 1.916 -1.991 8.049 94 2HE LYS 17 2HE LYS 17 1.857 -2.766 6.469 95 1HZ LYS 17 1HZ LYS 17 4.031 -0.959 7.438 96 2HZ LYS 17 2HZ LYS 17 4.119 -2.604 7.312 97 3HZ LYS 17 3HZ LYS 17 3.999 -1.676 5.951 98 H VAL 18 H VAL 18 4.209 -0.375 1.093 99 HA VAL 18 HA VAL 18 5.591 2.179 0.595 100 HB VAL 18 HB VAL 18 6.789 1.558 2.634 101 1HG1 VAL 18 1HG1 VAL 18 7.940 -0.952 1.265 102 2HG1 VAL 18 2HG1 VAL 18 6.744 -0.955 2.583 103 3HG1 VAL 18 3HG1 VAL 18 8.371 -0.312 2.868 104 1HG2 VAL 18 1HG2 VAL 18 8.640 1.416 0.185 105 2HG2 VAL 18 2HG2 VAL 18 9.098 1.913 1.834 106 3HG2 VAL 18 3HG2 VAL 18 7.955 2.897 0.897 107 H GLY 19 H GLY 19 5.652 2.138 -1.519 108 1HA GLY 19 2HA GLY 19 6.397 1.361 -3.722 109 2HA GLY 19 1HA GLY 19 6.632 -0.258 -3.113 110 H ARG 20 H ARG 20 4.130 2.096 -3.914 111 HA ARG 20 HA ARG 20 2.063 -0.078 -4.594 112 1HB ARG 20 2HB ARG 20 1.850 2.927 -4.135 113 2HB ARG 20 1HB ARG 20 0.511 1.893 -4.544 114 1HG ARG 20 1HG ARG 20 0.280 2.558 -2.371 115 2HG ARG 20 2HG ARG 20 0.654 0.881 -2.253 116 1HD ARG 20 1HD ARG 20 2.908 1.442 -1.312 117 2HD ARG 20 2HD ARG 20 2.882 3.042 -2.058 118 HE ARG 20 HE ARG 20 0.711 2.643 -0.050 119 1HH1 ARG 20 2HH1 ARG 20 3.983 3.927 -0.589 120 2HH1 ARG 20 1HH1 ARG 20 3.797 5.054 0.849 121 1HH2 ARG 20 2HH2 ARG 20 0.637 3.920 1.612 122 2HH2 ARG 20 1HH2 ARG 20 2.028 5.048 2.009 123 HA HYP 21 HA HYP 21 1.254 1.458 -8.845 124 1HB HYP 21 1HB HYP 21 -1.445 2.256 -7.561 125 2HB HYP 21 2HB HYP 21 -1.198 1.572 -9.162 126 1HD HYP 21 1HD HYP 21 0.721 -0.792 -6.427 127 2HD HYP 21 2HD HYP 21 -0.241 0.275 -5.404 128 HOD HYP 21 HOD HYP 21 0.209 -0.650 -8.817 129 HG HYP 21 HG HYP 21 -1.930 0.004 -7.059 130 HA HYP 22 HA HYP 22 1.766 5.929 -9.121 131 1HB HYP 22 1HB HYP 22 1.191 6.734 -11.324 132 2HB HYP 22 2HB HYP 22 -0.451 6.081 -11.242 133 1HD HYP 22 1HD HYP 22 1.123 2.586 -10.709 134 2HD HYP 22 2HD HYP 22 -0.528 3.241 -10.826 135 HOD HYP 22 HOD HYP 22 2.793 4.615 -10.895 136 HG HYP 22 HG HYP 22 0.539 4.436 -12.621 137 H TYR 23 H TYR 23 -1.484 5.097 -8.379 138 HA TYR 23 HA TYR 23 -2.203 7.906 -7.499 139 1HB TYR 23 1HB TYR 23 -4.483 7.019 -7.099 140 2HB TYR 23 2HB TYR 23 -3.969 6.870 -8.746 141 HD1 TYR 23 HD1 TYR 23 -3.503 4.593 -9.756 142 HD2 TYR 23 HD2 TYR 23 -4.909 4.950 -5.705 143 HE1 TYR 23 HE1 TYR 23 -3.926 2.181 -9.688 144 HE2 TYR 23 HE2 TYR 23 -5.328 2.532 -5.648 145 HH TYR 23 HH TYR 23 -4.612 0.456 -8.456 146 H CYS 24 H CYS 24 -1.132 4.933 -6.082 147 HA CYS 24 HA CYS 24 -2.078 5.757 -3.292 148 1HB CYS 24 2HB CYS 24 -1.642 2.948 -4.477 149 2HB CYS 24 1HB CYS 24 -1.569 3.140 -2.800 150 H ASP 25 H ASP 25 0.616 5.550 -5.217 151 HA ASP 25 HA ASP 25 2.578 5.652 -2.885 152 1HB ASP 25 1HB ASP 25 3.130 4.183 -4.981 153 2HB ASP 25 2HB ASP 25 3.329 5.664 -5.884 154 HD2 ASP 25 HD2 ASP 25 4.377 3.755 -3.302 155 H ARG 26 H ARG 26 1.173 7.541 -5.525 156 HA ARG 26 HA ARG 26 2.578 10.110 -5.018 157 1HB ARG 26 1HB ARG 26 1.531 9.505 -7.123 158 2HB ARG 26 2HB ARG 26 -0.037 9.237 -6.357 159 1HG ARG 26 2HG ARG 26 -0.269 11.699 -5.918 160 2HG ARG 26 1HG ARG 26 1.342 11.974 -6.571 161 1HD ARG 26 1HD ARG 26 -0.258 12.560 -8.303 162 2HD ARG 26 2HD ARG 26 0.616 11.120 -8.826 163 HE ARG 26 HE ARG 26 -1.961 10.417 -7.494 164 1HH1 ARG 26 2HH2 ARG 26 -0.603 11.497 -10.597 165 2HH1 ARG 26 1HH2 ARG 26 -2.044 10.793 -11.489 166 1HH2 ARG 26 2HH1 ARG 26 -3.552 9.653 -8.611 167 2HH2 ARG 26 1HH1 ARG 26 -3.599 9.820 -10.437 168 HA HYP 27 HA HYP 27 0.675 11.362 -1.195 169 1HB HYP 27 1HB HYP 27 0.744 13.729 -0.889 170 2HB HYP 27 2HB HYP 27 -0.069 14.064 -2.428 171 1HD HYP 27 1HD HYP 27 1.324 12.945 -4.725 172 2HD HYP 27 2HD HYP 27 2.744 12.033 -4.160 173 HOD HYP 27 HOD HYP 27 3.838 13.078 -2.416 174 HG HYP 27 HG HYP 27 2.166 14.475 -3.085 175 H SER 28 H SER 28 -1.054 10.062 -0.917 176 HA SER 28 HA SER 28 -3.644 10.433 -2.153 177 1HB SER 28 1HB SER 28 -2.837 8.529 0.118 178 2HB SER 28 2HB SER 28 -4.373 8.479 -0.754 179 HG SER 28 HG SER 28 -2.826 7.094 -1.635 180 H GLY 29 H GLY 29 -3.025 10.465 1.416 181 1HA GLY 29 2HA GLY 29 -5.368 12.408 1.828 182 2HA GLY 29 1HA GLY 29 -4.543 11.502 3.080 183 H GLY 30 H GLY 30 -4.155 14.171 0.808 184 1HA GLY 30 1HA GLY 30 -2.909 16.077 2.534 185 2HA GLY 30 2HA GLY 30 -1.550 15.130 1.925 186 1HN NH2 31 1HN NH2 31 -1.732 16.619 -1.373 187 2HN NH2 31 2HN NH2 31 -0.999 15.320 -0.306 Start of MODEL 15 1 1H GLY 1 1H GLY 1 8.798 -9.091 0.603 2 2H GLY 1 2H GLY 1 7.309 -9.375 -0.010 3 1HA GLY 1 1HA GLY 1 8.038 -7.170 1.840 4 2HA GLY 1 2HA GLY 1 7.768 -7.000 0.108 5 H CYS 2 H CYS 2 5.632 -7.035 -0.673 6 HA CYS 2 HA CYS 2 3.339 -7.060 1.373 7 1HB CYS 2 1HB CYS 2 3.821 -4.748 0.729 8 2HB CYS 2 2HB CYS 2 3.905 -5.136 -0.988 9 H CYS 3 H CYS 3 2.274 -6.745 -1.768 10 HA CYS 3 HA CYS 3 2.515 -9.502 -2.675 11 1HB CYS 3 1HB CYS 3 0.694 -10.008 -1.011 12 2HB CYS 3 2HB CYS 3 -0.346 -8.831 -1.805 13 H GLY 4 H GLY 4 -0.248 -7.194 -3.260 14 1HA GLY 4 1HA GLY 4 0.004 -5.535 -5.223 15 2HA GLY 4 2HA GLY 4 0.951 -6.726 -6.061 16 HA PRO 5 HA PRO 5 -3.549 -7.012 -7.419 17 1HB PRO 5 1HB PRO 5 -3.273 -6.612 -10.146 18 2HB PRO 5 2HB PRO 5 -3.233 -5.323 -8.940 19 1HG PRO 5 1HG PRO 5 -0.841 -6.768 -10.192 20 2HG PRO 5 2HG PRO 5 -1.116 -5.007 -10.101 21 1HD PRO 5 1HD PRO 5 0.452 -6.300 -8.225 22 2HD PRO 5 2HD PRO 5 -0.614 -4.961 -7.731 23 H TYR 6 H TYR 6 -1.273 -9.419 -7.636 24 HA TYR 6 HA TYR 6 -2.526 -10.920 -9.927 25 1HB TYR 6 2HB TYR 6 0.061 -11.411 -8.362 26 2HB TYR 6 1HB TYR 6 -0.559 -12.518 -9.560 27 HD1 TYR 6 HD1 TYR 6 -0.616 -11.870 -11.993 28 HD2 TYR 6 HD2 TYR 6 0.961 -9.169 -9.034 29 HE1 TYR 6 HE1 TYR 6 0.434 -10.528 -13.764 30 HE2 TYR 6 HE2 TYR 6 1.999 -7.836 -10.813 31 HH TYR 6 HH TYR 6 2.330 -7.607 -12.997 32 HA HYP 7 HA HYP 7 -3.931 -14.412 -7.074 33 1HB HYP 7 1HB HYP 7 -2.210 -15.434 -5.994 34 2HB HYP 7 2HB HYP 7 -2.982 -14.908 -4.498 35 1HD HYP 7 1HD HYP 7 -0.540 -13.300 -7.170 36 2HD HYP 7 2HD HYP 7 -0.815 -11.790 -6.253 37 HOD HYP 7 HOD HYP 7 0.546 -13.734 -4.807 38 HG HYP 7 HG HYP 7 -1.543 -12.972 -4.312 39 H ASN 8 H ASN 8 -4.973 -14.670 -4.446 40 HA ASN 8 HA ASN 8 -7.266 -12.766 -5.036 41 1HB ASN 8 1HB ASN 8 -7.284 -15.668 -4.022 42 2HB ASN 8 2HB ASN 8 -8.721 -14.695 -4.205 43 1HD2 ASN 8 1HD2 ASN 8 -9.382 -14.047 -6.362 44 2HD2 ASN 8 2HD2 ASN 8 -8.828 -15.039 -7.803 45 H ALA 9 H ALA 9 -6.028 -14.455 -2.055 46 HA ALA 9 HA ALA 9 -8.134 -13.270 -0.410 47 1HB ALA 9 1HB ALA 9 -7.173 -15.488 0.076 48 2HB ALA 9 2HB ALA 9 -5.589 -14.769 0.461 49 3HB ALA 9 3HB ALA 9 -7.002 -14.424 1.485 50 H ALA 10 H ALA 10 -4.740 -12.780 0.603 51 HA ALA 10 HA ALA 10 -5.335 -10.015 1.611 52 1HB ALA 10 1HB ALA 10 -2.910 -9.963 2.227 53 2HB ALA 10 2HB ALA 10 -3.631 -11.496 2.757 54 3HB ALA 10 3HB ALA 10 -2.603 -11.441 1.296 55 H CYS 11 H CYS 11 -4.193 -11.217 -1.421 56 HA CYS 11 HA CYS 11 -2.371 -9.139 -2.102 57 1HB CYS 11 2HB CYS 11 -2.794 -11.609 -3.072 58 2HB CYS 11 1HB CYS 11 -3.752 -10.752 -4.282 59 H HIS 12 H HIS 12 -2.825 -7.108 -2.288 60 HA HIS 12 HA HIS 12 -5.040 -6.136 -4.149 61 1HB HIS 12 1HB HIS 12 -4.370 -4.965 -1.365 62 2HB HIS 12 2HB HIS 12 -5.367 -4.158 -2.544 63 HD1 HIS 12 HD1 HIS 12 -7.756 -5.640 -3.322 64 HD2 HIS 12 HD2 HIS 12 -5.644 -6.618 0.292 65 HE1 HIS 12 HE1 HIS 12 -9.255 -7.022 -1.747 66 HE2 HIS 12 HE2 HIS 12 -8.079 -7.661 0.455 67 HA HYP 13 HA HYP 13 -1.471 -3.764 -5.820 68 1HB HYP 13 1HB HYP 13 -2.540 -3.317 -7.776 69 2HB HYP 13 2HB HYP 13 -2.853 -1.706 -7.161 70 1HD HYP 13 1HD HYP 13 -5.551 -4.222 -5.311 71 2HD HYP 13 2HD HYP 13 -4.645 -5.233 -6.473 72 HOD HYP 13 HOD HYP 13 -4.582 -4.112 -8.473 73 HG HYP 13 HG HYP 13 -5.041 -2.215 -6.405 74 H CYS 14 H CYS 14 -4.003 -1.712 -4.311 75 HA CYS 14 HA CYS 14 -1.871 0.087 -3.073 76 1HB CYS 14 1HB CYS 14 -3.636 1.185 -4.387 77 2HB CYS 14 2HB CYS 14 -4.923 0.498 -3.344 78 H GLY 15 H GLY 15 -2.482 -2.763 -2.112 79 1HA GLY 15 1HA GLY 15 -3.608 -2.415 0.648 80 2HA GLY 15 2HA GLY 15 -2.801 -3.836 0.016 81 H CYS 16 H CYS 16 -0.386 -2.478 -0.864 82 HA CYS 16 HA CYS 16 1.294 -2.728 1.404 83 1HB CYS 16 2HB CYS 16 1.948 -1.142 -1.186 84 2HB CYS 16 1HB CYS 16 3.057 -2.104 -0.193 85 H LYS 17 H LYS 17 2.850 -1.294 2.227 86 HA LYS 17 HA LYS 17 1.983 1.545 2.903 87 1HB LYS 17 1HB LYS 17 4.321 -0.206 3.816 88 2HB LYS 17 2HB LYS 17 4.119 1.490 4.260 89 1HG LYS 17 1HG LYS 17 1.851 0.961 5.260 90 2HG LYS 17 2HG LYS 17 2.075 -0.743 4.861 91 1HD LYS 17 1HD LYS 17 4.122 -0.833 6.347 92 2HD LYS 17 2HD LYS 17 3.931 0.882 6.727 93 1HE LYS 17 2HE LYS 17 1.671 0.403 7.788 94 2HE LYS 17 1HE LYS 17 1.857 -1.316 7.409 95 1HZ LYS 17 1HZ LYS 17 3.680 0.256 9.168 96 2HZ LYS 17 2HZ LYS 17 2.542 -0.830 9.673 97 3HZ LYS 17 3HZ LYS 17 3.855 -1.349 8.814 98 H VAL 18 H VAL 18 4.957 0.022 2.170 99 HA VAL 18 HA VAL 18 5.825 2.198 0.200 100 HB VAL 18 HB VAL 18 8.116 1.265 0.305 101 1HG1 VAL 18 1HG2 VAL 18 7.096 2.264 3.027 102 2HG1 VAL 18 2HG2 VAL 18 8.771 2.343 2.427 103 3HG1 VAL 18 3HG2 VAL 18 7.498 3.282 1.624 104 1HG2 VAL 18 1HG1 VAL 18 7.767 -1.061 1.150 105 2HG2 VAL 18 2HG1 VAL 18 7.250 -0.429 2.731 106 3HG2 VAL 18 3HG1 VAL 18 8.917 -0.172 2.163 107 H GLY 19 H GLY 19 6.001 1.740 -1.883 108 1HA GLY 19 2HA GLY 19 6.367 0.415 -3.888 109 2HA GLY 19 1HA GLY 19 6.232 -1.068 -2.975 110 H ARG 20 H ARG 20 4.325 1.636 -4.250 111 HA ARG 20 HA ARG 20 2.054 -0.217 -5.002 112 1HB ARG 20 1HB ARG 20 0.369 1.104 -3.987 113 2HB ARG 20 2HB ARG 20 1.453 0.541 -2.769 114 1HG ARG 20 2HG ARG 20 1.247 3.430 -3.812 115 2HG ARG 20 1HG ARG 20 0.525 2.732 -2.378 116 1HD ARG 20 1HD ARG 20 2.251 3.847 -1.407 117 2HD ARG 20 2HD ARG 20 2.921 2.215 -1.504 118 HE ARG 20 HE ARG 20 3.762 3.528 -3.915 119 1HH1 ARG 20 1HH2 ARG 20 4.258 4.080 -0.437 120 2HH1 ARG 20 2HH2 ARG 20 5.932 4.756 -0.767 121 1HH2 ARG 20 1HH1 ARG 20 5.688 4.305 -4.173 122 2HH2 ARG 20 2HH1 ARG 20 6.684 4.875 -2.741 123 HA HYP 21 HA HYP 21 1.470 1.886 -8.889 124 1HB HYP 21 1HB HYP 21 -0.934 1.934 -9.419 125 2HB HYP 21 2HB HYP 21 -1.364 2.424 -7.774 126 1HD HYP 21 1HD HYP 21 0.831 -0.664 -6.806 127 2HD HYP 21 2HD HYP 21 -0.235 0.276 -5.750 128 HOD HYP 21 HOD HYP 21 0.514 -0.261 -9.203 129 HG HYP 21 HG HYP 21 -1.778 0.123 -7.569 130 HA HYP 22 HA HYP 22 1.640 6.493 -8.862 131 1HB HYP 22 1HB HYP 22 -0.345 6.319 -11.191 132 2HB HYP 22 2HB HYP 22 1.112 7.310 -11.047 133 1HD HYP 22 1HD HYP 22 0.206 3.484 -10.928 134 2HD HYP 22 2HD HYP 22 1.940 3.238 -10.564 135 HOD HYP 22 HOD HYP 22 3.088 5.580 -10.486 136 HG HYP 22 HG HYP 22 1.155 5.015 -12.495 137 H TYR 23 H TYR 23 -1.654 5.151 -8.980 138 HA TYR 23 HA TYR 23 -2.956 7.623 -7.899 139 1HB TYR 23 1HB TYR 23 -5.021 6.398 -7.839 140 2HB TYR 23 2HB TYR 23 -4.265 6.174 -9.377 141 HD1 TYR 23 HD1 TYR 23 -5.263 4.471 -6.215 142 HD2 TYR 23 HD2 TYR 23 -3.484 3.881 -10.089 143 HE1 TYR 23 HE1 TYR 23 -5.502 2.040 -5.961 144 HE2 TYR 23 HE2 TYR 23 -3.749 1.450 -9.828 145 HH TYR 23 HH TYR 23 -5.163 0.048 -6.873 146 H CYS 24 H CYS 24 -1.351 4.942 -6.468 147 HA CYS 24 HA CYS 24 -2.729 5.196 -3.780 148 1HB CYS 24 1HB CYS 24 -2.456 2.915 -4.817 149 2HB CYS 24 2HB CYS 24 -0.734 3.014 -4.729 150 H ASP 25 H ASP 25 0.117 6.031 -5.366 151 HA ASP 25 HA ASP 25 1.544 6.952 -2.834 152 1HB ASP 25 1HB ASP 25 2.936 5.699 -4.572 153 2HB ASP 25 2HB ASP 25 2.595 6.951 -5.745 154 HD2 ASP 25 HD2 ASP 25 4.998 7.816 -2.549 155 H ARG 26 H ARG 26 -0.033 8.144 -5.802 156 HA ARG 26 HA ARG 26 0.349 11.058 -5.181 157 1HB ARG 26 2HB ARG 26 -1.521 9.498 -7.048 158 2HB ARG 26 1HB ARG 26 -1.680 11.224 -6.833 159 1HG ARG 26 1HG ARG 26 0.903 9.845 -7.813 160 2HG ARG 26 2HG ARG 26 -0.344 10.507 -8.867 161 1HD ARG 26 2HD ARG 26 0.015 12.816 -7.816 162 2HD ARG 26 1HD ARG 26 1.350 12.142 -6.863 163 HE ARG 26 HE ARG 26 1.854 11.529 -9.678 164 1HH1 ARG 26 2HH1 ARG 26 1.787 14.361 -7.527 165 2HH1 ARG 26 1HH1 ARG 26 2.993 15.226 -8.606 166 1HH2 ARG 26 2HH2 ARG 26 3.221 12.607 -10.832 167 2HH2 ARG 26 1HH2 ARG 26 3.749 14.298 -10.351 168 HA HYP 27 HA HYP 27 -2.645 11.820 -2.087 169 1HB HYP 27 1HB HYP 27 -4.278 13.682 -3.891 170 2HB HYP 27 2HB HYP 27 -3.694 13.951 -2.240 171 1HD HYP 27 1HD HYP 27 -2.009 13.091 -5.748 172 2HD HYP 27 2HD HYP 27 -0.531 13.000 -4.756 173 HOD HYP 27 HOD HYP 27 -1.631 15.031 -2.216 174 HG HYP 27 HG HYP 27 -2.372 15.004 -4.371 175 H SER 28 H SER 28 -3.624 9.904 -1.743 176 HA SER 28 HA SER 28 -5.873 8.882 -3.249 177 1HB SER 28 2HB SER 28 -4.682 7.852 -0.612 178 2HB SER 28 1HB SER 28 -5.858 6.988 -1.607 179 HG SER 28 HG SER 28 -3.308 7.896 -2.455 180 H GLY 29 H GLY 29 -5.916 9.608 0.303 181 1HA GLY 29 1HA GLY 29 -8.944 9.945 0.222 182 2HA GLY 29 2HA GLY 29 -7.945 9.823 1.651 183 H GLY 30 H GLY 30 -9.233 11.989 -0.711 184 1HA GLY 30 1HA GLY 30 -9.081 14.346 1.035 185 2HA GLY 30 2HA GLY 30 -7.743 14.429 -0.114 186 1HN NH2 31 1HN NH2 31 -11.509 15.281 -1.482 187 2HN NH2 31 2HN NH2 31 -11.179 14.777 0.251 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -2.366 -5.253 -7.627 2 2H GLY 1 2H GLY 1 -2.573 -6.193 -8.949 3 1HA GLY 1 1HA GLY 1 -1.161 -7.339 -7.416 4 2HA GLY 1 2HA GLY 1 -0.290 -6.950 -8.897 5 H CYS 2 H CYS 2 -0.285 -6.569 -5.487 6 HA CYS 2 HA CYS 2 2.314 -5.583 -5.478 7 1HB CYS 2 1HB CYS 2 1.340 -3.260 -5.693 8 2HB CYS 2 2HB CYS 2 0.419 -3.502 -4.199 9 H CYS 3 H CYS 3 2.795 -6.901 -3.476 10 HA CYS 3 HA CYS 3 0.464 -8.248 -2.142 11 1HB CYS 3 2HB CYS 3 3.056 -9.707 -2.916 12 2HB CYS 3 1HB CYS 3 1.717 -10.301 -1.911 13 H GLY 4 H GLY 4 0.931 -6.211 -0.927 14 1HA GLY 4 1HA GLY 4 3.360 -5.460 0.318 15 2HA GLY 4 2HA GLY 4 1.779 -4.978 0.639 16 HA PRO 5 HA PRO 5 3.312 -6.301 4.923 17 1HB PRO 5 2HB PRO 5 0.289 -5.765 5.183 18 2HB PRO 5 1HB PRO 5 1.558 -5.461 6.389 19 1HG PRO 5 1HG PRO 5 0.705 -3.466 4.716 20 2HG PRO 5 2HG PRO 5 2.416 -3.599 5.170 21 1HD PRO 5 2HD PRO 5 1.203 -4.174 2.470 22 2HD PRO 5 1HD PRO 5 2.889 -3.870 2.910 23 H TYR 6 H TYR 6 0.457 -7.795 3.451 24 HA TYR 6 HA TYR 6 1.233 -10.465 4.781 25 1HB TYR 6 2HB TYR 6 -1.618 -9.773 3.922 26 2HB TYR 6 1HB TYR 6 -1.062 -11.278 4.595 27 HD1 TYR 6 HD1 TYR 6 -2.209 -7.900 5.385 28 HD2 TYR 6 HD2 TYR 6 -0.125 -11.277 7.050 29 HE1 TYR 6 HE1 TYR 6 -2.534 -6.994 7.640 30 HE2 TYR 6 HE2 TYR 6 -0.458 -10.358 9.305 31 HH TYR 6 HH TYR 6 -2.182 -7.280 9.817 32 HA HYP 7 HA HYP 7 1.941 -10.366 0.177 33 1HB HYP 7 1HB HYP 7 4.178 -10.125 0.753 34 2HB HYP 7 2HB HYP 7 4.310 -11.726 0.013 35 1HD HYP 7 1HD HYP 7 2.877 -11.908 3.937 36 2HD HYP 7 2HD HYP 7 3.432 -10.242 3.592 37 HOD HYP 7 HOD HYP 7 5.636 -11.690 3.487 38 HG HYP 7 HG HYP 7 4.162 -12.849 2.180 39 H ASN 8 H ASN 8 0.017 -12.229 1.118 40 HA ASN 8 HA ASN 8 -0.170 -14.200 -1.040 41 1HB ASN 8 1HB ASN 8 -0.052 -16.328 0.227 42 2HB ASN 8 2HB ASN 8 1.489 -15.554 0.058 43 1HD2 ASN 8 1HD2 ASN 8 2.538 -14.727 1.979 44 2HD2 ASN 8 2HD2 ASN 8 2.004 -15.307 3.637 45 H ALA 9 H ALA 9 -1.198 -13.551 2.330 46 HA ALA 9 HA ALA 9 -4.003 -14.471 1.851 47 1HB ALA 9 1HB ALA 9 -2.984 -14.741 4.097 48 2HB ALA 9 2HB ALA 9 -4.438 -13.727 4.180 49 3HB ALA 9 3HB ALA 9 -2.828 -12.973 4.272 50 H ALA 10 H ALA 10 -2.469 -11.246 2.183 51 HA ALA 10 HA ALA 10 -4.984 -9.995 0.955 52 1HB ALA 10 1HB ALA 10 -4.946 -9.423 3.401 53 2HB ALA 10 2HB ALA 10 -3.360 -8.636 3.188 54 3HB ALA 10 3HB ALA 10 -4.786 -8.001 2.354 55 H CYS 11 H CYS 11 -3.158 -10.850 -0.728 56 HA CYS 11 HA CYS 11 -1.367 -8.701 -1.628 57 1HB CYS 11 2HB CYS 11 -1.095 -11.061 -2.396 58 2HB CYS 11 1HB CYS 11 -2.566 -10.925 -3.386 59 H HIS 12 H HIS 12 -2.101 -6.772 -2.093 60 HA HIS 12 HA HIS 12 -4.572 -6.293 -3.822 61 1HB HIS 12 2HB HIS 12 -4.066 -5.286 -0.949 62 2HB HIS 12 1HB HIS 12 -5.057 -4.338 -2.008 63 HD1 HIS 12 HD1 HIS 12 -7.335 -5.816 -3.134 64 HD2 HIS 12 HD2 HIS 12 -5.296 -7.210 0.380 65 HE1 HIS 12 HE1 HIS 12 -8.809 -7.490 -1.843 66 HE2 HIS 12 HE2 HIS 12 -7.674 -8.392 0.289 67 HA HYP 13 HA HYP 13 -1.581 -3.376 -5.695 68 1HB HYP 13 1HB HYP 13 -2.703 -3.033 -7.601 69 2HB HYP 13 2HB HYP 13 -3.434 -1.583 -6.929 70 1HD HYP 13 1HD HYP 13 -4.266 -5.472 -6.241 71 2HD HYP 13 2HD HYP 13 -5.429 -4.684 -5.131 72 HOD HYP 13 HOD HYP 13 -4.429 -4.406 -8.272 73 HG HYP 13 HG HYP 13 -5.419 -2.648 -6.267 74 H CYS 14 H CYS 14 -4.368 -1.529 -4.312 75 HA CYS 14 HA CYS 14 -2.373 0.320 -2.913 76 1HB CYS 14 1HB CYS 14 -4.171 1.348 -4.249 77 2HB CYS 14 2HB CYS 14 -5.426 0.646 -3.175 78 H GLY 15 H GLY 15 -2.491 -2.446 -1.988 79 1HA GLY 15 2HA GLY 15 -3.645 -2.185 0.815 80 2HA GLY 15 1HA GLY 15 -3.148 -3.664 0.068 81 H CYS 16 H CYS 16 -0.716 -2.585 -1.180 82 HA CYS 16 HA CYS 16 1.480 -2.847 0.600 83 1HB CYS 16 1HB CYS 16 0.953 -1.639 -2.151 84 2HB CYS 16 2HB CYS 16 2.439 -1.113 -1.414 85 H LYS 17 H LYS 17 2.477 -1.631 2.009 86 HA LYS 17 HA LYS 17 1.712 1.278 2.528 87 1HB LYS 17 1HB LYS 17 3.276 -0.803 4.122 88 2HB LYS 17 2HB LYS 17 3.315 0.898 4.539 89 1HG LYS 17 1HG LYS 17 0.718 -0.768 4.374 90 2HG LYS 17 2HG LYS 17 1.641 -0.495 5.848 91 1HD LYS 17 2HD LYS 17 1.311 2.048 5.536 92 2HD LYS 17 1HD LYS 17 0.292 1.694 4.152 93 1HE LYS 17 1HE LYS 17 -1.198 2.115 5.987 94 2HE LYS 17 2HE LYS 17 -1.301 0.384 5.674 95 1HZ LYS 17 1HZ LYS 17 0.225 0.032 7.567 96 2HZ LYS 17 2HZ LYS 17 -1.124 0.860 8.040 97 3HZ LYS 17 3HZ LYS 17 0.309 1.658 7.844 98 H VAL 18 H VAL 18 4.184 -0.454 0.992 99 HA VAL 18 HA VAL 18 5.830 2.024 0.628 100 HB VAL 18 HB VAL 18 8.035 0.845 1.010 101 1HG1 VAL 18 1HG2 VAL 18 8.224 1.461 3.376 102 2HG1 VAL 18 2HG2 VAL 18 7.203 2.640 2.531 103 3HG1 VAL 18 3HG2 VAL 18 6.458 1.412 3.584 104 1HG2 VAL 18 1HG1 VAL 18 8.270 -0.967 2.695 105 2HG2 VAL 18 2HG1 VAL 18 6.503 -1.158 2.786 106 3HG2 VAL 18 3HG1 VAL 18 7.374 -1.553 1.287 107 H GLY 19 H GLY 19 5.907 2.141 -1.477 108 1HA GLY 19 2HA GLY 19 6.515 1.539 -3.735 109 2HA GLY 19 1HA GLY 19 6.917 -0.079 -3.213 110 H ARG 20 H ARG 20 4.242 2.051 -4.046 111 HA ARG 20 HA ARG 20 2.386 -0.320 -4.739 112 1HB ARG 20 1HB ARG 20 1.605 2.583 -4.441 113 2HB ARG 20 2HB ARG 20 0.576 1.200 -4.566 114 1HG ARG 20 1HG ARG 20 0.319 2.074 -2.461 115 2HG ARG 20 2HG ARG 20 1.131 0.560 -2.227 116 1HD ARG 20 1HD ARG 20 3.179 1.624 -1.514 117 2HD ARG 20 2HD ARG 20 2.857 3.088 -2.455 118 HE ARG 20 HE ARG 20 0.846 2.831 -0.343 119 1HH1 ARG 20 2HH2 ARG 20 4.207 3.861 -0.885 120 2HH1 ARG 20 1HH2 ARG 20 4.098 5.029 0.525 121 1HH2 ARG 20 1HH1 ARG 20 0.846 4.173 1.271 122 2HH2 ARG 20 2HH1 ARG 20 2.320 5.192 1.663 123 HA HYP 21 HA HYP 21 1.236 1.318 -8.853 124 1HB HYP 21 1HB HYP 21 -1.316 2.349 -7.456 125 2HB HYP 21 2HB HYP 21 -1.198 1.529 -9.009 126 1HD HYP 21 1HD HYP 21 -0.069 0.421 -5.220 127 2HD HYP 21 2HD HYP 21 0.649 -0.815 -6.220 128 HOD HYP 21 HOD HYP 21 -0.033 -0.784 -8.582 129 HG HYP 21 HG HYP 21 -1.938 0.222 -6.722 130 HA HYP 22 HA HYP 22 1.913 5.831 -9.149 131 1HB HYP 22 1HB HYP 22 1.197 6.657 -11.290 132 2HB HYP 22 2HB HYP 22 -0.437 6.010 -11.108 133 1HD HYP 22 1HD HYP 22 1.169 2.498 -10.720 134 2HD HYP 22 2HD HYP 22 -0.489 3.150 -10.715 135 HOD HYP 22 HOD HYP 22 2.818 4.531 -11.011 136 HG HYP 22 HG HYP 22 0.443 4.373 -12.567 137 H TYR 23 H TYR 23 -1.522 5.088 -8.703 138 HA TYR 23 HA TYR 23 -2.159 7.778 -7.548 139 1HB TYR 23 1HB TYR 23 -4.447 6.959 -7.300 140 2HB TYR 23 2HB TYR 23 -3.881 6.698 -8.915 141 HD1 TYR 23 HD1 TYR 23 -5.083 5.037 -5.845 142 HD2 TYR 23 HD2 TYR 23 -3.334 4.306 -9.710 143 HE1 TYR 23 HE1 TYR 23 -5.600 2.648 -5.639 144 HE2 TYR 23 HE2 TYR 23 -3.842 1.920 -9.484 145 HH TYR 23 HH TYR 23 -4.698 0.324 -8.188 146 H CYS 24 H CYS 24 -1.059 4.786 -6.227 147 HA CYS 24 HA CYS 24 -2.249 5.375 -3.482 148 1HB CYS 24 1HB CYS 24 -2.755 3.120 -4.554 149 2HB CYS 24 2HB CYS 24 -1.064 2.675 -4.388 150 H ASP 25 H ASP 25 0.620 5.418 -5.182 151 HA ASP 25 HA ASP 25 2.363 5.574 -2.691 152 1HB ASP 25 1HB ASP 25 3.140 4.086 -4.739 153 2HB ASP 25 2HB ASP 25 3.470 5.580 -5.575 154 HD2 ASP 25 HD2 ASP 25 6.336 6.294 -3.743 155 H ARG 26 H ARG 26 1.136 7.459 -5.432 156 HA ARG 26 HA ARG 26 2.495 10.048 -4.526 157 1HB ARG 26 2HB ARG 26 0.277 9.528 -6.567 158 2HB ARG 26 1HB ARG 26 0.958 11.100 -6.178 159 1HG ARG 26 1HG ARG 26 3.249 10.333 -6.892 160 2HG ARG 26 2HG ARG 26 2.601 8.738 -7.279 161 1HD ARG 26 2HD ARG 26 1.031 9.828 -8.995 162 2HD ARG 26 1HD ARG 26 1.774 11.396 -8.640 163 HE ARG 26 HE ARG 26 3.931 9.581 -9.352 164 1HH1 ARG 26 2HH2 ARG 26 1.125 11.084 -10.937 165 2HH1 ARG 26 1HH2 ARG 26 1.980 11.001 -12.560 166 1HH2 ARG 26 1HH1 ARG 26 4.807 9.536 -11.247 167 2HH2 ARG 26 2HH1 ARG 26 3.925 10.182 -12.720 168 HA HYP 27 HA HYP 27 -0.992 11.758 -2.143 169 1HB HYP 27 1HB HYP 27 -1.823 13.864 -2.883 170 2HB HYP 27 2HB HYP 27 -2.130 13.301 -4.530 171 1HD HYP 27 1HD HYP 27 1.673 12.334 -4.557 172 2HD HYP 27 2HD HYP 27 0.418 12.243 -5.805 173 HOD HYP 27 HOD HYP 27 0.753 13.397 -2.419 174 HG HYP 27 HG HYP 27 -0.097 14.428 -4.928 175 H SER 28 H SER 28 -1.994 9.715 -1.903 176 HA SER 28 HA SER 28 -4.077 8.729 -3.632 177 1HB SER 28 2HB SER 28 -2.503 7.340 -2.228 178 2HB SER 28 1HB SER 28 -3.425 7.768 -0.786 179 HG SER 28 HG SER 28 -4.089 5.826 -1.741 180 H GLY 29 H GLY 29 -4.570 9.678 -0.164 181 1HA GLY 29 1HA GLY 29 -6.903 11.359 -0.657 182 2HA GLY 29 2HA GLY 29 -7.503 9.726 -0.364 183 H GLY 30 H GLY 30 -7.393 8.904 1.717 184 1HA GLY 30 2HA GLY 30 -5.825 9.944 3.953 185 2HA GLY 30 1HA GLY 30 -7.382 10.773 3.981 186 1HN NH2 31 1HN NH2 31 -9.205 9.583 4.667 187 2HN NH2 31 2HN NH2 31 -9.093 7.852 5.266 Start of MODEL 17 1 1H GLY 1 1H GLY 1 8.451 -7.355 1.804 2 2H GLY 1 2H GLY 1 7.420 -6.503 2.743 3 1HA GLY 1 1HA GLY 1 6.678 -8.681 0.861 4 2HA GLY 1 2HA GLY 1 6.749 -8.811 2.616 5 H CYS 2 H CYS 2 4.896 -7.665 -0.079 6 HA CYS 2 HA CYS 2 2.613 -6.701 1.744 7 1HB CYS 2 2HB CYS 2 3.707 -4.885 0.433 8 2HB CYS 2 1HB CYS 2 3.435 -5.739 -1.089 9 H CYS 3 H CYS 3 1.694 -7.152 -1.465 10 HA CYS 3 HA CYS 3 1.440 -10.070 -1.488 11 1HB CYS 3 1HB CYS 3 -0.515 -9.793 -0.002 12 2HB CYS 3 2HB CYS 3 -1.249 -8.634 -1.119 13 H GLY 4 H GLY 4 -0.941 -7.964 -3.089 14 1HA GLY 4 2HA GLY 4 0.420 -7.153 -5.459 15 2HA GLY 4 1HA GLY 4 0.164 -8.873 -5.733 16 HA PRO 5 HA PRO 5 -3.486 -6.183 -7.156 17 1HB PRO 5 2HB PRO 5 -3.427 -6.657 -9.902 18 2HB PRO 5 1HB PRO 5 -2.449 -5.451 -9.058 19 1HG PRO 5 1HG PRO 5 -1.624 -8.288 -9.840 20 2HG PRO 5 2HG PRO 5 -0.744 -6.773 -10.169 21 1HD PRO 5 1HD PRO 5 -0.089 -8.359 -8.019 22 2HD PRO 5 2HD PRO 5 -0.042 -6.582 -7.840 23 H TYR 6 H TYR 6 -3.111 -9.611 -7.322 24 HA TYR 6 HA TYR 6 -5.877 -10.100 -8.479 25 1HB TYR 6 1HB TYR 6 -3.681 -12.083 -7.634 26 2HB TYR 6 2HB TYR 6 -5.262 -12.552 -8.184 27 HD1 TYR 6 HD1 TYR 6 -5.976 -12.187 -10.580 28 HD2 TYR 6 HD2 TYR 6 -1.999 -11.184 -9.275 29 HE1 TYR 6 HE1 TYR 6 -5.226 -12.083 -12.918 30 HE2 TYR 6 HE2 TYR 6 -1.264 -11.080 -11.617 31 HH TYR 6 HH TYR 6 -1.850 -11.289 -13.748 32 HA HYP 7 HA HYP 7 -6.970 -9.759 -4.060 33 1HB HYP 7 1HB HYP 7 -8.707 -8.419 -4.718 34 2HB HYP 7 2HB HYP 7 -9.731 -9.748 -4.150 35 1HD HYP 7 1HD HYP 7 -8.136 -10.519 -7.958 36 2HD HYP 7 2HD HYP 7 -7.705 -8.853 -7.464 37 HOD HYP 7 HOD HYP 7 -10.353 -8.858 -7.738 38 HG HYP 7 HG HYP 7 -9.935 -10.669 -6.411 39 H ASN 8 H ASN 8 -7.303 -10.943 -2.316 40 HA ASN 8 HA ASN 8 -8.951 -13.478 -2.364 41 1HB ASN 8 1HB ASN 8 -6.042 -13.480 -1.301 42 2HB ASN 8 2HB ASN 8 -7.231 -14.715 -0.957 43 1HD2 ASN 8 1HD2 ASN 8 -4.901 -13.688 -3.238 44 2HD2 ASN 8 2HD2 ASN 8 -5.228 -15.008 -4.470 45 H ALA 9 H ALA 9 -7.004 -12.740 0.413 46 HA ALA 9 HA ALA 9 -9.403 -11.466 1.819 47 1HB ALA 9 1HB ALA 9 -8.245 -12.011 3.944 48 2HB ALA 9 2HB ALA 9 -6.892 -12.748 3.049 49 3HB ALA 9 3HB ALA 9 -8.523 -13.459 2.954 50 H ALA 10 H ALA 10 -5.933 -10.938 2.453 51 HA ALA 10 HA ALA 10 -6.242 -7.960 2.529 52 1HB ALA 10 1HB ALA 10 -3.681 -9.709 2.638 53 2HB ALA 10 2HB ALA 10 -4.639 -9.209 4.059 54 3HB ALA 10 3HB ALA 10 -3.791 -7.997 3.079 55 H CYS 11 H CYS 11 -5.519 -10.090 -0.088 56 HA CYS 11 HA CYS 11 -3.370 -8.609 -1.305 57 1HB CYS 11 1HB CYS 11 -4.188 -11.136 -1.614 58 2HB CYS 11 2HB CYS 11 -5.113 -10.481 -2.964 59 H HIS 12 H HIS 12 -3.393 -6.755 -2.239 60 HA HIS 12 HA HIS 12 -5.690 -5.758 -3.973 61 1HB HIS 12 2HB HIS 12 -4.556 -4.306 -1.481 62 2HB HIS 12 1HB HIS 12 -5.455 -3.461 -2.706 63 HD1 HIS 12 HD1 HIS 12 -8.118 -4.787 -3.207 64 HD2 HIS 12 HD2 HIS 12 -6.058 -4.995 0.560 65 HE1 HIS 12 HE1 HIS 12 -9.763 -5.364 -1.311 66 HE2 HIS 12 HE2 HIS 12 -8.624 -5.514 0.997 67 HA HYP 13 HA HYP 13 -2.302 -4.039 -6.567 68 1HB HYP 13 1HB HYP 13 -4.026 -1.530 -6.715 69 2HB HYP 13 2HB HYP 13 -3.178 -2.367 -8.007 70 1HD HYP 13 1HD HYP 13 -5.809 -4.978 -6.047 71 2HD HYP 13 2HD HYP 13 -5.970 -3.362 -5.305 72 HOD HYP 13 HOD HYP 13 -4.135 -4.870 -8.004 73 HG HYP 13 HG HYP 13 -5.891 -2.678 -7.583 74 H CYS 14 H CYS 14 -3.645 -1.527 -4.341 75 HA CYS 14 HA CYS 14 -0.823 -1.055 -3.303 76 1HB CYS 14 2HB CYS 14 -1.526 0.974 -4.520 77 2HB CYS 14 1HB CYS 14 -2.982 1.134 -3.570 78 H GLY 15 H GLY 15 -1.880 -3.094 -2.253 79 1HA GLY 15 2HA GLY 15 -3.368 -2.521 0.308 80 2HA GLY 15 1HA GLY 15 -2.577 -4.023 -0.123 81 H CYS 16 H CYS 16 -0.150 -2.096 -0.713 82 HA CYS 16 HA CYS 16 1.404 -2.705 1.609 83 1HB CYS 16 2HB CYS 16 2.070 -0.878 -0.832 84 2HB CYS 16 1HB CYS 16 3.195 -1.908 0.078 85 H LYS 17 H LYS 17 3.123 -1.235 2.331 86 HA LYS 17 HA LYS 17 2.168 1.449 3.426 87 1HB LYS 17 2HB LYS 17 4.647 -0.260 3.983 88 2HB LYS 17 1HB LYS 17 4.397 1.369 4.617 89 1HG LYS 17 2HG LYS 17 2.241 0.615 5.715 90 2HG LYS 17 1HG LYS 17 2.519 -1.026 5.126 91 1HD LYS 17 1HD LYS 17 4.676 -1.145 6.444 92 2HD LYS 17 2HD LYS 17 4.429 0.509 7.013 93 1HE LYS 17 1HE LYS 17 2.284 -0.203 8.178 94 2HE LYS 17 2HE LYS 17 2.527 -1.861 7.610 95 1HZ LYS 17 1HZ LYS 17 3.359 -1.566 9.858 96 2HZ LYS 17 2HZ LYS 17 4.625 -1.919 8.857 97 3HZ LYS 17 3HZ LYS 17 4.399 -0.371 9.388 98 H VAL 18 H VAL 18 5.074 0.090 2.219 99 HA VAL 18 HA VAL 18 5.575 2.437 0.309 100 HB VAL 18 HB VAL 18 7.278 2.329 2.080 101 1HG1 VAL 18 1HG1 VAL 18 8.255 -0.370 0.947 102 2HG1 VAL 18 2HG1 VAL 18 9.047 0.605 2.208 103 3HG1 VAL 18 3HG1 VAL 18 7.470 -0.139 2.526 104 1HG2 VAL 18 1HG2 VAL 18 9.260 2.612 0.649 105 2HG2 VAL 18 2HG2 VAL 18 7.832 3.319 -0.132 106 3HG2 VAL 18 3HG2 VAL 18 8.465 1.753 -0.695 107 H GLY 19 H GLY 19 5.634 1.972 -1.780 108 1HA GLY 19 2HA GLY 19 6.253 0.642 -3.753 109 2HA GLY 19 1HA GLY 19 6.165 -0.839 -2.836 110 H ARG 20 H ARG 20 4.259 1.633 -4.441 111 HA ARG 20 HA ARG 20 2.064 -0.324 -5.105 112 1HB ARG 20 1HB ARG 20 0.315 1.209 -4.314 113 2HB ARG 20 2HB ARG 20 1.164 0.470 -3.007 114 1HG ARG 20 2HG ARG 20 1.509 3.371 -3.916 115 2HG ARG 20 1HG ARG 20 0.466 2.728 -2.637 116 1HD ARG 20 1HD ARG 20 2.428 1.926 -1.308 117 2HD ARG 20 2HD ARG 20 3.499 2.642 -2.509 118 HE ARG 20 HE ARG 20 2.948 4.856 -1.811 119 1HH1 ARG 20 2HH1 ARG 20 0.772 2.589 -0.152 120 2HH1 ARG 20 1HH1 ARG 20 0.240 3.913 1.002 121 1HH2 ARG 20 1HH2 ARG 20 2.333 6.271 -0.378 122 2HH2 ARG 20 2HH2 ARG 20 1.065 5.854 0.881 123 HA HYP 21 HA HYP 21 1.174 1.870 -8.959 124 1HB HYP 21 1HB HYP 21 -1.276 1.902 -9.289 125 2HB HYP 21 2HB HYP 21 -1.567 2.231 -7.574 126 1HD HYP 21 1HD HYP 21 0.828 -0.813 -7.056 127 2HD HYP 21 2HD HYP 21 -0.214 -0.044 -5.859 128 HOD HYP 21 HOD HYP 21 0.278 -0.246 -9.381 129 HG HYP 21 HG HYP 21 -1.880 -0.102 -7.534 130 HA HYP 22 HA HYP 22 1.614 6.341 -8.677 131 1HB HYP 22 1HB HYP 22 0.948 7.404 -10.732 132 2HB HYP 22 2HB HYP 22 -0.588 6.536 -10.810 133 1HD HYP 22 1HD HYP 22 -0.247 3.628 -10.802 134 2HD HYP 22 2HD HYP 22 1.484 3.260 -10.573 135 HOD HYP 22 HOD HYP 22 2.812 5.477 -10.460 136 HG HYP 22 HG HYP 22 0.681 5.216 -12.324 137 H TYR 23 H TYR 23 -1.867 5.513 -8.642 138 HA TYR 23 HA TYR 23 -2.765 8.115 -7.563 139 1HB TYR 23 2HB TYR 23 -4.967 7.064 -7.306 140 2HB TYR 23 1HB TYR 23 -4.313 6.786 -8.883 141 HD1 TYR 23 HD1 TYR 23 -3.695 4.461 -9.624 142 HD2 TYR 23 HD2 TYR 23 -5.231 5.134 -5.660 143 HE1 TYR 23 HE1 TYR 23 -3.973 2.043 -9.313 144 HE2 TYR 23 HE2 TYR 23 -5.477 2.710 -5.353 145 HH TYR 23 HH TYR 23 -4.597 0.417 -7.935 146 H CYS 24 H CYS 24 -1.460 5.346 -5.958 147 HA CYS 24 HA CYS 24 -2.907 5.765 -3.360 148 1HB CYS 24 1HB CYS 24 -2.582 3.472 -4.369 149 2HB CYS 24 2HB CYS 24 -0.842 3.615 -4.220 150 H ASP 25 H ASP 25 0.068 6.478 -4.766 151 HA ASP 25 HA ASP 25 1.337 7.404 -2.158 152 1HB ASP 25 2HB ASP 25 2.748 5.963 -3.800 153 2HB ASP 25 1HB ASP 25 2.702 7.293 -4.937 154 HD2 ASP 25 HD2 ASP 25 5.069 9.195 -3.274 155 H ARG 26 H ARG 26 -0.036 8.547 -5.195 156 HA ARG 26 HA ARG 26 0.406 11.502 -4.405 157 1HB ARG 26 2HB ARG 26 -0.561 10.159 -6.985 158 2HB ARG 26 1HB ARG 26 -1.021 11.779 -6.586 159 1HG ARG 26 2HG ARG 26 0.937 11.752 -8.091 160 2HG ARG 26 1HG ARG 26 1.196 12.644 -6.614 161 1HD ARG 26 1HD ARG 26 3.238 11.535 -7.146 162 2HD ARG 26 2HD ARG 26 2.618 10.797 -5.676 163 HE ARG 26 HE ARG 26 1.723 9.119 -7.867 164 1HH1 ARG 26 1HH1 ARG 26 4.824 10.089 -6.424 165 2HH1 ARG 26 2HH1 ARG 26 5.583 8.505 -6.955 166 1HH2 ARG 26 2HH2 ARG 26 2.690 7.352 -8.421 167 2HH2 ARG 26 1HH2 ARG 26 4.454 7.063 -8.009 168 HA HYP 27 HA HYP 27 -3.799 12.118 -3.037 169 1HB HYP 27 1HB HYP 27 -4.116 14.107 -4.107 170 2HB HYP 27 2HB HYP 27 -5.480 13.316 -4.907 171 1HD HYP 27 1HD HYP 27 -1.564 13.486 -5.393 172 2HD HYP 27 2HD HYP 27 -1.824 12.278 -6.678 173 HOD HYP 27 HOD HYP 27 -4.401 15.040 -6.648 174 HG HYP 27 HG HYP 27 -4.163 12.779 -6.869 175 H SER 28 H SER 28 -4.181 9.893 -2.673 176 HA SER 28 HA SER 28 -5.653 8.175 -4.435 177 1HB SER 28 2HB SER 28 -4.100 7.492 -2.529 178 2HB SER 28 1HB SER 28 -5.405 7.814 -1.391 179 HG SER 28 HG SER 28 -6.684 6.332 -2.602 180 H GLY 29 H GLY 29 -7.006 9.513 -1.343 181 1HA GLY 29 2HA GLY 29 -9.545 10.364 -2.499 182 2HA GLY 29 1HA GLY 29 -9.771 8.707 -1.938 183 H GLY 30 H GLY 30 -9.817 8.317 0.269 184 1HA GLY 30 2HA GLY 30 -10.323 10.697 2.090 185 2HA GLY 30 1HA GLY 30 -10.747 9.032 2.418 186 1HN NH2 31 1HN NH2 31 -9.245 7.738 3.537 187 2HN NH2 31 2HN NH2 31 -7.637 8.379 4.145 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -0.172 -7.225 -7.987 2 2H GLY 1 2H GLY 1 -1.344 -6.333 -7.280 3 1HA GLY 1 2HA GLY 1 1.206 -5.252 -8.349 4 2HA GLY 1 1HA GLY 1 -0.047 -4.278 -7.594 5 H CYS 2 H CYS 2 -0.667 -4.992 -5.339 6 HA CYS 2 HA CYS 2 1.774 -5.880 -3.693 7 1HB CYS 2 2HB CYS 2 1.468 -3.442 -3.523 8 2HB CYS 2 1HB CYS 2 -0.199 -3.659 -2.958 9 H CYS 3 H CYS 3 0.599 -8.037 -4.037 10 HA CYS 3 HA CYS 3 -1.816 -8.531 -2.237 11 1HB CYS 3 2HB CYS 3 -0.848 -10.323 -4.540 12 2HB CYS 3 1HB CYS 3 -2.061 -10.728 -3.301 13 H GLY 4 H GLY 4 0.076 -7.859 -0.880 14 1HA GLY 4 1HA GLY 4 2.525 -9.306 -0.495 15 2HA GLY 4 2HA GLY 4 1.782 -8.152 0.472 16 HA PRO 5 HA PRO 5 2.195 -11.790 3.502 17 1HB PRO 5 2HB PRO 5 0.451 -9.667 4.900 18 2HB PRO 5 1HB PRO 5 1.658 -10.742 5.635 19 1HG PRO 5 2HG PRO 5 2.291 -8.170 4.921 20 2HG PRO 5 1HG PRO 5 3.475 -9.483 4.731 21 1HD PRO 5 2HD PRO 5 2.028 -8.024 2.527 22 2HD PRO 5 1HD PRO 5 3.477 -9.028 2.447 23 H TYR 6 H TYR 6 -0.921 -10.425 2.532 24 HA TYR 6 HA TYR 6 -2.216 -13.186 2.979 25 1HB TYR 6 1HB TYR 6 -3.667 -10.482 3.068 26 2HB TYR 6 2HB TYR 6 -4.418 -12.051 3.132 27 HD1 TYR 6 HD1 TYR 6 -3.911 -13.611 5.165 28 HD2 TYR 6 HD2 TYR 6 -2.691 -9.485 5.089 29 HE1 TYR 6 HE1 TYR 6 -3.557 -13.661 7.598 30 HE2 TYR 6 HE2 TYR 6 -2.340 -9.547 7.515 31 HH TYR 6 HH TYR 6 -2.426 -10.778 9.365 32 HA HYP 7 HA HYP 7 -1.951 -12.028 -1.573 33 1HB HYP 7 1HB HYP 7 0.123 -13.144 -1.537 34 2HB HYP 7 2HB HYP 7 -0.752 -14.265 -2.590 35 1HD HYP 7 1HD HYP 7 -1.638 -14.902 1.439 36 2HD HYP 7 2HD HYP 7 -0.243 -13.789 1.336 37 HOD HYP 7 HOD HYP 7 0.962 -15.750 -1.215 38 HG HYP 7 HG HYP 7 -1.271 -15.767 -0.733 39 H ASN 8 H ASN 8 -4.392 -12.993 -0.398 40 HA ASN 8 HA ASN 8 -5.945 -14.027 -2.684 41 1HB ASN 8 2HB ASN 8 -6.622 -16.250 -1.812 42 2HB ASN 8 1HB ASN 8 -4.961 -16.181 -2.301 43 1HD2 ASN 8 1HD2 ASN 8 -7.026 -17.061 0.241 44 2HD2 ASN 8 2HD2 ASN 8 -5.713 -17.459 1.459 45 H ALA 9 H ALA 9 -5.901 -13.929 0.900 46 HA ALA 9 HA ALA 9 -8.805 -13.291 1.142 47 1HB ALA 9 1HB ALA 9 -6.578 -13.053 3.258 48 2HB ALA 9 2HB ALA 9 -7.642 -14.458 2.993 49 3HB ALA 9 3HB ALA 9 -8.327 -12.920 3.554 50 H ALA 10 H ALA 10 -5.826 -11.314 1.382 51 HA ALA 10 HA ALA 10 -7.498 -8.839 0.692 52 1HB ALA 10 1HB ALA 10 -5.111 -8.794 2.640 53 2HB ALA 10 2HB ALA 10 -6.058 -7.403 2.082 54 3HB ALA 10 3HB ALA 10 -6.826 -8.637 3.094 55 H CYS 11 H CYS 11 -6.680 -10.290 -1.313 56 HA CYS 11 HA CYS 11 -4.131 -9.323 -2.460 57 1HB CYS 11 2HB CYS 11 -5.196 -11.478 -3.141 58 2HB CYS 11 1HB CYS 11 -6.500 -10.602 -3.950 59 H HIS 12 H HIS 12 -3.917 -7.227 -2.726 60 HA HIS 12 HA HIS 12 -6.012 -5.510 -4.165 61 1HB HIS 12 1HB HIS 12 -4.600 -4.958 -1.465 62 2HB HIS 12 2HB HIS 12 -5.339 -3.689 -2.384 63 HD1 HIS 12 HD1 HIS 12 -8.214 -4.283 -3.004 64 HD2 HIS 12 HD2 HIS 12 -6.161 -6.026 0.343 65 HE1 HIS 12 HE1 HIS 12 -9.905 -5.134 -1.255 66 HE2 HIS 12 HE2 HIS 12 -8.773 -6.203 0.801 67 HA HYP 13 HA HYP 13 -2.066 -4.218 -6.327 68 1HB HYP 13 1HB HYP 13 -2.692 -2.754 -8.065 69 2HB HYP 13 2HB HYP 13 -3.700 -1.757 -7.013 70 1HD HYP 13 1HD HYP 13 -5.905 -3.493 -5.792 71 2HD HYP 13 2HD HYP 13 -5.671 -5.160 -6.391 72 HOD HYP 13 HOD HYP 13 -3.650 -5.203 -8.006 73 HG HYP 13 HG HYP 13 -5.433 -2.992 -8.085 74 H CYS 14 H CYS 14 -3.881 -1.997 -4.225 75 HA CYS 14 HA CYS 14 -1.269 -0.805 -3.187 76 1HB CYS 14 1HB CYS 14 -2.034 1.108 -4.111 77 2HB CYS 14 2HB CYS 14 -3.736 0.586 -4.256 78 H GLY 15 H GLY 15 -1.944 -3.186 -2.003 79 1HA GLY 15 1HA GLY 15 -3.219 -2.375 0.664 80 2HA GLY 15 2HA GLY 15 -2.742 -3.970 0.198 81 H CYS 16 H CYS 16 -0.402 -1.596 -0.639 82 HA CYS 16 HA CYS 16 1.618 -2.491 1.373 83 1HB CYS 16 1HB CYS 16 1.560 -1.068 -1.362 84 2HB CYS 16 2HB CYS 16 2.933 -0.736 -0.385 85 H LYS 17 H LYS 17 3.111 -1.077 2.229 86 HA LYS 17 HA LYS 17 2.146 1.613 3.294 87 1HB LYS 17 2HB LYS 17 3.084 -0.085 4.890 88 2HB LYS 17 1HB LYS 17 4.607 -0.068 3.993 89 1HG LYS 17 1HG LYS 17 4.805 2.420 4.405 90 2HG LYS 17 2HG LYS 17 3.313 2.407 5.329 91 1HD LYS 17 1HD LYS 17 5.859 0.816 6.084 92 2HD LYS 17 2HD LYS 17 5.481 2.426 6.679 93 1HE LYS 17 2HE LYS 17 3.370 1.557 7.789 94 2HE LYS 17 1HE LYS 17 3.743 -0.077 7.220 95 1HZ LYS 17 1HZ LYS 17 5.472 1.537 9.033 96 2HZ LYS 17 2HZ LYS 17 4.514 0.267 9.480 97 3HZ LYS 17 3HZ LYS 17 5.820 0.013 8.499 98 H VAL 18 H VAL 18 4.970 0.116 2.021 99 HA VAL 18 HA VAL 18 5.630 2.478 0.209 100 HB VAL 18 HB VAL 18 8.045 1.928 0.267 101 1HG1 VAL 18 1HG1 VAL 18 7.155 3.863 1.553 102 2HG1 VAL 18 2HG1 VAL 18 8.586 3.162 2.335 103 3HG1 VAL 18 3HG1 VAL 18 6.964 2.840 2.997 104 1HG2 VAL 18 1HG2 VAL 18 8.082 -0.398 1.184 105 2HG2 VAL 18 2HG2 VAL 18 9.119 0.687 2.125 106 3HG2 VAL 18 3HG2 VAL 18 7.532 0.199 2.767 107 H GLY 19 H GLY 19 5.989 1.987 -1.872 108 1HA GLY 19 1HA GLY 19 6.514 0.600 -3.816 109 2HA GLY 19 2HA GLY 19 6.420 -0.853 -2.852 110 H ARG 20 H ARG 20 4.489 1.644 -4.416 111 HA ARG 20 HA ARG 20 2.204 -0.258 -4.964 112 1HB ARG 20 1HB ARG 20 0.565 1.244 -3.986 113 2HB ARG 20 2HB ARG 20 1.549 0.520 -2.793 114 1HG ARG 20 2HG ARG 20 1.557 3.417 -3.686 115 2HG ARG 20 1HG ARG 20 0.977 2.680 -2.177 116 1HD ARG 20 1HD ARG 20 3.361 2.121 -1.537 117 2HD ARG 20 2HD ARG 20 3.906 3.049 -2.956 118 HE ARG 20 HE ARG 20 2.008 4.540 -1.190 119 1HH1 ARG 20 2HH1 ARG 20 5.455 3.858 -1.750 120 2HH1 ARG 20 1HH1 ARG 20 5.924 5.378 -0.834 121 1HH2 ARG 20 1HH2 ARG 20 2.665 6.243 -0.150 122 2HH2 ARG 20 2HH2 ARG 20 4.451 6.634 0.009 123 HA HYP 21 HA HYP 21 1.147 1.775 -8.777 124 1HB HYP 21 1HB HYP 21 -1.301 1.900 -9.000 125 2HB HYP 21 2HB HYP 21 -1.501 2.434 -7.325 126 1HD HYP 21 1HD HYP 21 0.737 -0.701 -6.637 127 2HD HYP 21 2HD HYP 21 -0.172 0.222 -5.432 128 HOD HYP 21 HOD HYP 21 -0.824 -1.437 -8.163 129 HG HYP 21 HG HYP 21 -1.955 0.160 -6.991 130 HA HYP 22 HA HYP 22 1.569 6.336 -8.891 131 1HB HYP 22 1HB HYP 22 -0.755 6.300 -10.890 132 2HB HYP 22 2HB HYP 22 0.782 7.173 -10.987 133 1HD HYP 22 1HD HYP 22 1.386 3.072 -10.546 134 2HD HYP 22 2HD HYP 22 -0.365 3.405 -10.654 135 HOD HYP 22 HOD HYP 22 2.609 4.372 -12.007 136 HG HYP 22 HG HYP 22 0.414 4.867 -12.375 137 H TYR 23 H TYR 23 -1.794 5.254 -8.454 138 HA TYR 23 HA TYR 23 -2.732 7.856 -7.329 139 1HB TYR 23 2HB TYR 23 -4.853 6.766 -6.901 140 2HB TYR 23 1HB TYR 23 -4.341 6.492 -8.528 141 HD1 TYR 23 HD1 TYR 23 -5.091 4.857 -5.285 142 HD2 TYR 23 HD2 TYR 23 -3.714 4.154 -9.302 143 HE1 TYR 23 HE1 TYR 23 -5.477 2.444 -5.004 144 HE2 TYR 23 HE2 TYR 23 -4.116 1.743 -9.005 145 HH TYR 23 HH TYR 23 -5.357 0.436 -5.935 146 H CYS 24 H CYS 24 -1.187 5.114 -5.939 147 HA CYS 24 HA CYS 24 -1.997 5.820 -3.090 148 1HB CYS 24 2HB CYS 24 -1.014 3.147 -4.338 149 2HB CYS 24 1HB CYS 24 -0.965 3.379 -2.649 150 H ASP 25 H ASP 25 0.534 5.960 -5.270 151 HA ASP 25 HA ASP 25 2.638 6.558 -3.153 152 1HB ASP 25 2HB ASP 25 3.189 5.001 -5.161 153 2HB ASP 25 1HB ASP 25 3.065 6.396 -6.208 154 HD2 ASP 25 HD2 ASP 25 4.870 4.627 -4.166 155 H ARG 26 H ARG 26 0.719 8.091 -5.716 156 HA ARG 26 HA ARG 26 1.906 10.820 -5.352 157 1HB ARG 26 2HB ARG 26 0.756 10.072 -7.448 158 2HB ARG 26 1HB ARG 26 -0.770 9.971 -6.557 159 1HG ARG 26 2HG ARG 26 -0.590 12.415 -5.979 160 2HG ARG 26 1HG ARG 26 0.914 12.546 -6.876 161 1HD ARG 26 1HD ARG 26 -1.797 11.713 -8.129 162 2HD ARG 26 2HD ARG 26 -1.214 13.377 -8.058 163 HE ARG 26 HE ARG 26 0.863 11.837 -9.379 164 1HH1 ARG 26 2HH1 ARG 26 -2.476 12.878 -10.025 165 2HH1 ARG 26 1HH1 ARG 26 -2.155 12.837 -11.831 166 1HH2 ARG 26 1HH2 ARG 26 1.116 11.825 -11.452 167 2HH2 ARG 26 2HH2 ARG 26 -0.256 12.280 -12.582 168 HA HYP 27 HA HYP 27 0.084 11.710 -1.377 169 1HB HYP 27 1HB HYP 27 -0.886 14.399 -2.491 170 2HB HYP 27 2HB HYP 27 -0.054 14.059 -0.963 171 1HD HYP 27 1HD HYP 27 0.735 13.450 -4.827 172 2HD HYP 27 2HD HYP 27 2.129 12.564 -4.162 173 HOD HYP 27 HOD HYP 27 3.092 13.717 -2.426 174 HG HYP 27 HG HYP 27 1.329 14.988 -3.112 175 H SER 28 H SER 28 -1.518 10.364 -0.966 176 HA SER 28 HA SER 28 -4.171 10.469 -2.139 177 1HB SER 28 1HB SER 28 -3.084 8.679 0.095 178 2HB SER 28 2HB SER 28 -4.639 8.472 -0.716 179 HG SER 28 HG SER 28 -3.514 8.347 -2.696 180 H GLY 29 H GLY 29 -5.363 12.409 -1.421 181 1HA GLY 29 1HA GLY 29 -6.787 12.220 1.133 182 2HA GLY 29 2HA GLY 29 -5.485 13.400 1.286 183 H GLY 30 H GLY 30 -5.669 15.350 0.191 184 1HA GLY 30 2HA GLY 30 -7.587 15.998 -1.938 185 2HA GLY 30 1HA GLY 30 -8.333 16.395 -0.389 186 1HN NH2 31 1HN NH2 31 -5.927 17.364 -2.698 187 2HN NH2 31 2HN NH2 31 -5.411 18.888 -1.814
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