NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633319 | 6mjd | 30519 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 1HT ARG 1 0.067 6.291 -3.542 2 H2 ARG 1 2HT ARG 1 0.702 7.814 -3.864 3 H3 ARG 1 3HT ARG 1 -0.922 7.652 -3.534 4 HA ARG 1 HA ARG 1 1.320 7.055 -1.716 5 HB2 ARG 1 2HB ARG 1 0.501 8.928 -0.368 6 HB3 ARG 1 1HB ARG 1 1.151 9.446 -1.927 7 HG2 ARG 1 2HG ARG 1 -1.158 9.680 -2.741 8 HG3 ARG 1 1HG ARG 1 -1.757 9.169 -1.167 9 HD2 ARG 1 2HD ARG 1 -1.854 11.577 -1.327 10 HD3 ARG 1 1HD ARG 1 -0.634 11.103 -0.147 11 HE ARG 1 HE ARG 1 0.381 11.577 -2.801 12 HH11 ARG 1 1HH1 ARG 1 -0.319 13.055 0.363 13 HH12 ARG 1 2HH1 ARG 1 0.735 14.370 0.088 14 HH21 ARG 1 1HH2 ARG 1 1.765 13.372 -3.123 15 HH22 ARG 1 2HH2 ARG 1 1.939 14.565 -1.908 16 H ASP 2 HN ASP 2 -2.269 7.167 -2.011 17 HA ASP 2 HA ASP 2 -2.412 5.978 0.601 18 HB2 ASP 2 2HB ASP 2 -4.906 6.122 0.279 19 HB3 ASP 2 1HB ASP 2 -4.082 7.669 0.219 20 H CYS 3 HN CYS 3 -2.048 4.005 0.758 21 HA CYS 3 HA CYS 3 -2.963 2.161 -1.362 22 HB2 CYS 3 2HB CYS 3 -0.526 1.815 0.380 23 HB3 CYS 3 1HB CYS 3 -1.007 0.835 -1.010 24 H CYS 4 HN CYS 4 -2.949 2.845 2.015 25 HA CYS 4 HA CYS 4 -3.546 0.098 2.834 26 HB2 CYS 4 2HB CYS 4 -3.302 2.552 4.572 27 HB3 CYS 4 1HB CYS 4 -3.116 0.868 5.038 28 H THR 5 HN THR 5 -5.331 2.721 1.742 29 HA THR 5 HA THR 5 -7.463 2.747 3.574 30 HB THR 5 HB THR 5 -7.661 3.266 0.592 31 HG1 THR 5 1HG THR 5 -6.272 4.553 2.561 32 HG21 THR 5 1HG2 THR 5 -9.163 4.386 2.954 33 HG22 THR 5 2HG2 THR 5 -9.741 3.110 1.907 34 HG23 THR 5 3HG2 THR 5 -9.496 4.743 1.248 35 HA HYP 6 HA HYP 6 -8.893 -1.373 2.432 36 HB2 HYP 6 1HB HYP 6 -9.681 -2.053 4.453 37 HB3 HYP 6 2HB HYP 6 -11.121 -1.038 4.285 38 HG HYP 6 HG HYP 6 -9.924 0.032 6.081 39 HD22 HYP 6 1HD1 HYP 6 -8.707 1.907 4.759 40 HD23 HYP 6 2HD1 HYP 6 -10.392 1.612 4.245 41 HD1 HYP 6 2HD HYP 6 -7.631 0.186 4.708 42 HA HYP 7 HA HYP 7 -9.812 -3.149 1.557 43 HB2 HYP 7 1HB HYP 7 -10.741 -4.475 -0.063 44 HB3 HYP 7 2HB HYP 7 -10.207 -3.363 -1.325 45 HG HYP 7 HG HYP 7 -12.534 -3.087 -1.446 46 HD22 HYP 7 1HD1 HYP 7 -12.934 -1.067 0.273 47 HD23 HYP 7 2HD1 HYP 7 -11.684 -0.863 -0.977 48 HD1 HYP 7 2HD HYP 7 -13.687 -2.908 0.603 49 H LYS 8 HN LYS 8 -7.693 -3.323 1.213 50 HA LYS 8 HA LYS 8 -6.331 -0.966 0.716 51 HB2 LYS 8 2HB LYS 8 -5.161 -3.732 0.717 52 HB3 LYS 8 1HB LYS 8 -4.305 -2.223 1.002 53 HG2 LYS 8 2HG LYS 8 -5.625 -1.861 3.039 54 HG3 LYS 8 1HG LYS 8 -6.471 -3.373 2.733 55 HD2 LYS 8 2HD LYS 8 -4.175 -4.472 2.710 56 HD3 LYS 8 1HD LYS 8 -3.585 -2.970 3.374 57 HE2 LYS 8 2HE LYS 8 -4.874 -3.139 5.323 58 HE3 LYS 8 1HE LYS 8 -5.835 -4.477 4.686 59 HZ1 LYS 8 1HZ LYS 8 -3.919 -5.892 4.826 60 HZ2 LYS 8 2HZ LYS 8 -4.094 -5.145 6.332 61 HZ3 LYS 8 3HZ LYS 8 -2.923 -4.611 5.236 62 H LYS 9 HN LYS 9 -5.577 -0.076 -0.899 63 HA LYS 9 HA LYS 9 -5.813 -1.341 -3.495 64 HB2 LYS 9 2HB LYS 9 -5.623 1.061 -4.314 65 HB3 LYS 9 1HB LYS 9 -7.080 0.631 -3.440 66 HG2 LYS 9 2HG LYS 9 -5.942 1.633 -1.380 67 HG3 LYS 9 1HG LYS 9 -4.771 2.312 -2.515 68 HD2 LYS 9 2HD LYS 9 -7.757 2.730 -2.671 69 HD3 LYS 9 1HD LYS 9 -6.626 3.866 -1.944 70 HE2 LYS 9 2HE LYS 9 -6.468 2.953 -4.819 71 HE3 LYS 9 1HE LYS 9 -7.322 4.400 -4.291 72 HZ1 LYS 9 1HZ LYS 9 -4.421 3.888 -3.902 73 HZ2 LYS 9 2HZ LYS 9 -5.273 5.219 -3.363 74 HZ3 LYS 9 3HZ LYS 9 -5.108 4.948 -5.034 75 H CYS 10 HN CYS 10 -3.752 -2.114 -1.900 76 HA CYS 10 HA CYS 10 -1.361 -0.836 -2.863 77 HB2 CYS 10 2HB CYS 10 -1.279 -1.759 -0.613 78 HB3 CYS 10 1HB CYS 10 -1.755 -3.344 -1.210 79 H LYS 11 HN LYS 11 -2.112 -1.119 -5.039 80 HA LYS 11 HA LYS 11 -1.741 -3.806 -6.081 81 HB2 LYS 11 2HB LYS 11 -3.718 -2.496 -6.793 82 HB3 LYS 11 1HB LYS 11 -2.650 -1.287 -7.483 83 HG2 LYS 11 2HG LYS 11 -3.574 -2.758 -9.193 84 HG3 LYS 11 1HG LYS 11 -1.819 -2.913 -9.091 85 HD2 LYS 11 2HD LYS 11 -2.060 -4.955 -7.784 86 HD3 LYS 11 1HD LYS 11 -3.817 -4.784 -7.816 87 HE2 LYS 11 2HE LYS 11 -3.808 -5.033 -10.223 88 HE3 LYS 11 1HE LYS 11 -2.047 -5.118 -10.227 89 HZ1 LYS 11 1HZ LYS 11 -2.155 -7.165 -8.991 90 HZ2 LYS 11 2HZ LYS 11 -3.117 -7.284 -10.366 91 HZ3 LYS 11 3HZ LYS 11 -3.835 -7.042 -8.864 92 H ASP 12 HN ASP 12 -0.166 -0.774 -5.817 93 HA ASP 12 HA ASP 12 1.698 -1.478 -7.937 94 HB2 ASP 12 2HB ASP 12 0.726 0.821 -7.935 95 HB3 ASP 12 1HB ASP 12 1.524 1.119 -6.394 96 H ARG 13 HN ARG 13 3.882 -1.647 -7.579 97 HA ARG 13 HA ARG 13 4.720 -2.873 -5.225 98 HB2 ARG 13 2HB ARG 13 6.277 -1.696 -7.507 99 HB3 ARG 13 1HB ARG 13 7.027 -2.598 -6.193 100 HG2 ARG 13 2HG ARG 13 5.669 -4.544 -6.780 101 HG3 ARG 13 1HG ARG 13 4.949 -3.639 -8.108 102 HD2 ARG 13 2HD ARG 13 7.040 -3.496 -9.248 103 HD3 ARG 13 1HD ARG 13 7.918 -4.117 -7.853 104 HE ARG 13 HE ARG 13 5.994 -5.993 -8.640 105 HH11 ARG 13 1HH1 ARG 13 9.049 -4.676 -9.894 106 HH12 ARG 13 2HH1 ARG 13 9.482 -6.136 -10.662 107 HH21 ARG 13 1HH2 ARG 13 6.677 -7.976 -9.662 108 HH22 ARG 13 2HH2 ARG 13 8.137 -8.005 -10.549 109 H ARG 14 HN ARG 14 4.664 0.501 -6.053 110 HA ARG 14 HA ARG 14 6.593 1.302 -4.135 111 HB2 ARG 14 2HB ARG 14 4.442 2.793 -5.614 112 HB3 ARG 14 1HB ARG 14 5.523 3.586 -4.471 113 HG2 ARG 14 2HG ARG 14 7.419 3.150 -5.799 114 HG3 ARG 14 1HG ARG 14 6.553 1.970 -6.779 115 HD2 ARG 14 2HD ARG 14 5.844 4.887 -6.681 116 HD3 ARG 14 1HD ARG 14 6.949 4.197 -7.875 117 HE ARG 14 HE ARG 14 4.537 2.747 -7.787 118 HH11 ARG 14 1HH1 ARG 14 5.710 5.913 -8.865 119 HH12 ARG 14 2HH1 ARG 14 4.688 6.006 -10.219 120 HH21 ARG 14 1HH2 ARG 14 3.153 2.850 -9.655 121 HH22 ARG 14 2HH2 ARG 14 3.175 4.198 -10.697 122 H CYS 15 HN CYS 15 3.476 0.143 -3.812 123 HA CYS 15 HA CYS 15 3.010 1.419 -1.227 124 HB2 CYS 15 2HB CYS 15 1.353 -0.551 -2.803 125 HB3 CYS 15 1HB CYS 15 0.878 0.205 -1.290 126 H LYS 16 HN LYS 16 4.825 -1.058 -2.324 127 HA LYS 16 HA LYS 16 3.938 -3.143 -0.562 128 HB2 LYS 16 2HB LYS 16 4.950 -3.608 -2.807 129 HB3 LYS 16 1HB LYS 16 6.487 -3.058 -2.176 130 HG2 LYS 16 2HG LYS 16 6.398 -5.483 -2.185 131 HG3 LYS 16 1HG LYS 16 6.481 -4.875 -0.534 132 HD2 LYS 16 2HD LYS 16 4.877 -6.717 -0.721 133 HD3 LYS 16 1HD LYS 16 4.059 -5.224 -0.272 134 HE2 LYS 16 2HE LYS 16 3.361 -4.910 -2.598 135 HE3 LYS 16 1HE LYS 16 4.218 -6.379 -3.059 136 HZ1 LYS 16 1HZ LYS 16 2.677 -7.632 -1.613 137 HZ2 LYS 16 2HZ LYS 16 1.892 -6.799 -2.829 138 HZ3 LYS 16 3HZ LYS 16 1.841 -6.200 -1.261 139 HA HYP 17 HA HYP 17 7.994 -1.663 1.934 140 HB2 HYP 17 1HB HYP 17 8.943 0.206 0.909 141 HB3 HYP 17 2HB HYP 17 8.026 1.067 2.163 142 HG HYP 17 HG HYP 17 6.157 1.324 0.722 143 HD22 HYP 17 1HD1 HYP 17 7.725 -0.563 -1.070 144 HD23 HYP 17 2HD1 HYP 17 6.017 -0.078 -1.261 145 HD1 HYP 17 2HD HYP 17 6.947 1.934 -1.237 146 H LEU 18 HN LEU 18 4.781 -0.796 1.765 147 HA LEU 18 HA LEU 18 4.552 0.327 4.436 148 HB2 LEU 18 2HB LEU 18 2.430 -0.283 2.383 149 HB3 LEU 18 1HB LEU 18 2.263 0.731 3.799 150 HG LEU 18 HG LEU 18 3.962 1.380 1.369 151 HD11 LEU 18 1HD1 LEU 18 1.342 2.516 2.326 152 HD12 LEU 18 2HD1 LEU 18 1.591 1.508 0.898 153 HD13 LEU 18 3HD1 LEU 18 2.300 3.121 0.974 154 HD21 LEU 18 1HD2 LEU 18 3.321 2.994 3.830 155 HD22 LEU 18 2HD2 LEU 18 4.182 3.578 2.410 156 HD23 LEU 18 3HD2 LEU 18 4.903 2.317 3.421 157 H LYS 19 HN LYS 19 4.165 -1.049 6.106 158 HA LYS 19 HA LYS 19 3.843 -3.832 5.623 159 HB2 LYS 19 2HB LYS 19 5.131 -2.877 7.560 160 HB3 LYS 19 1HB LYS 19 3.612 -2.371 8.272 161 HG2 LYS 19 2HG LYS 19 4.419 -4.415 9.324 162 HG3 LYS 19 1HG LYS 19 2.913 -4.719 8.459 163 HD2 LYS 19 2HD LYS 19 4.183 -5.667 6.578 164 HD3 LYS 19 1HD LYS 19 5.690 -5.345 7.430 165 HE2 LYS 19 2HE LYS 19 3.492 -7.168 8.410 166 HE3 LYS 19 1HE LYS 19 4.948 -7.704 7.582 167 HZ1 LYS 19 1HZ LYS 19 5.177 -7.951 9.951 168 HZ2 LYS 19 2HZ LYS 19 4.854 -6.326 10.224 169 HZ3 LYS 19 3HZ LYS 19 6.259 -6.788 9.413 170 H CYS 20 HN CYS 20 1.633 -1.372 5.602 171 HA CYS 20 HA CYS 20 -0.636 -2.741 6.634 172 HB2 CYS 20 2HB CYS 20 -1.981 -1.081 5.423 173 HB3 CYS 20 1HB CYS 20 -0.650 -0.272 6.246 174 H CYS 21 HN CYS 21 1.209 -2.800 3.734 175 HA CYS 21 HA CYS 21 -0.717 -4.456 2.322 176 HB2 CYS 21 2HB CYS 21 0.292 -2.540 1.131 177 HB3 CYS 21 1HB CYS 21 1.892 -3.170 1.474 178 H ALA 22 HN ALA 22 -0.443 -6.330 3.560 179 HA ALA 22 HA ALA 22 2.131 -7.642 3.162 180 HB1 ALA 22 2HB ALA 22 0.709 -7.543 5.834 181 HB2 ALA 22 3HB ALA 22 2.198 -6.696 5.425 182 HB3 ALA 22 1HB ALA 22 2.177 -8.457 5.473 183 HN1 NH2 23 2H ALA 22 -0.941 -10.092 4.124 184 HN2 NH2 23 1H ALA 22 -0.347 -8.916 5.235 Start of MODEL 2 1 H1 ARG 1 1HT ARG 1 -0.272 8.574 -4.290 2 H2 ARG 1 2HT ARG 1 0.553 7.938 -2.953 3 H3 ARG 1 3HT ARG 1 -0.822 8.854 -2.713 4 HA ARG 1 HA ARG 1 -2.171 7.194 -3.763 5 HB2 ARG 1 2HB ARG 1 -0.505 6.297 -5.331 6 HB3 ARG 1 1HB ARG 1 0.446 5.697 -3.980 7 HG2 ARG 1 2HG ARG 1 -1.319 4.159 -3.376 8 HG3 ARG 1 1HG ARG 1 -2.323 4.784 -4.681 9 HD2 ARG 1 2HD ARG 1 -0.756 3.987 -6.321 10 HD3 ARG 1 1HD ARG 1 0.358 3.470 -5.055 11 HE ARG 1 HE ARG 1 -1.376 1.913 -4.333 12 HH11 ARG 1 1HH1 ARG 1 -1.383 3.027 -7.712 13 HH12 ARG 1 2HH1 ARG 1 -2.225 1.686 -8.302 14 HH21 ARG 1 1HH2 ARG 1 -2.564 0.024 -5.167 15 HH22 ARG 1 2HH2 ARG 1 -2.939 -0.035 -6.817 16 H ASP 2 HN ASP 2 -3.305 6.571 -2.071 17 HA ASP 2 HA ASP 2 -1.966 5.784 0.375 18 HB2 ASP 2 2HB ASP 2 -3.991 7.220 0.501 19 HB3 ASP 2 1HB ASP 2 -4.907 5.944 -0.298 20 H CYS 3 HN CYS 3 -1.615 3.765 0.868 21 HA CYS 3 HA CYS 3 -2.989 1.684 -0.664 22 HB2 CYS 3 2HB CYS 3 -0.173 1.723 0.313 23 HB3 CYS 3 1HB CYS 3 -0.943 0.324 -0.439 24 H CYS 4 HN CYS 4 -2.902 2.979 2.320 25 HA CYS 4 HA CYS 4 -3.043 0.333 3.609 26 HB2 CYS 4 2HB CYS 4 -2.489 3.012 4.895 27 HB3 CYS 4 1HB CYS 4 -2.664 1.499 5.772 28 H THR 5 HN THR 5 -4.967 3.145 2.909 29 HA THR 5 HA THR 5 -6.877 2.485 4.898 30 HB THR 5 HB THR 5 -7.153 4.320 2.500 31 HG1 THR 5 1HG THR 5 -5.673 5.366 3.603 32 HG21 THR 5 1HG2 THR 5 -9.263 3.647 3.518 33 HG22 THR 5 2HG2 THR 5 -8.945 5.354 3.887 34 HG23 THR 5 3HG2 THR 5 -8.659 4.093 5.102 35 HA HYP 6 HA HYP 6 -8.601 -0.595 2.175 36 HB2 HYP 6 1HB HYP 6 -9.440 -2.125 3.701 37 HB3 HYP 6 2HB HYP 6 -10.638 -0.957 4.281 38 HG HYP 6 HG HYP 6 -9.008 -1.163 6.083 39 HD22 HYP 6 1HD1 HYP 6 -7.883 1.119 5.684 40 HD23 HYP 6 2HD1 HYP 6 -9.647 1.133 5.383 41 HD1 HYP 6 2HD HYP 6 -6.959 -0.276 4.730 42 HA HYP 7 HA HYP 7 -9.917 -1.915 1.103 43 HB2 HYP 7 1HB HYP 7 -11.252 -2.729 -0.554 44 HB3 HYP 7 2HB HYP 7 -11.028 -1.292 -1.564 45 HG HYP 7 HG HYP 7 -13.277 -1.083 -0.800 46 HD22 HYP 7 1HD1 HYP 7 -12.863 0.573 1.239 47 HD23 HYP 7 2HD1 HYP 7 -12.097 0.958 -0.319 48 HD1 HYP 7 2HD HYP 7 -13.231 -1.227 1.725 49 H LYS 8 HN LYS 8 -7.868 -1.741 0.977 50 HA LYS 8 HA LYS 8 -6.526 0.150 -0.737 51 HB2 LYS 8 2HB LYS 8 -4.484 -0.867 0.401 52 HB3 LYS 8 1HB LYS 8 -5.600 0.032 1.422 53 HG2 LYS 8 2HG LYS 8 -6.526 -1.876 2.287 54 HG3 LYS 8 1HG LYS 8 -5.718 -2.954 1.128 55 HD2 LYS 8 2HD LYS 8 -3.585 -2.214 2.272 56 HD3 LYS 8 1HD LYS 8 -4.594 -1.323 3.417 57 HE2 LYS 8 2HE LYS 8 -4.577 -4.297 2.941 58 HE3 LYS 8 1HE LYS 8 -4.011 -3.451 4.379 59 HZ1 LYS 8 1HZ LYS 8 -6.141 -4.342 4.821 60 HZ2 LYS 8 2HZ LYS 8 -6.794 -3.756 3.420 61 HZ3 LYS 8 3HZ LYS 8 -6.400 -2.678 4.662 62 H LYS 9 HN LYS 9 -5.066 -0.438 -2.334 63 HA LYS 9 HA LYS 9 -5.597 -3.099 -3.446 64 HB2 LYS 9 2HB LYS 9 -5.157 -0.486 -4.902 65 HB3 LYS 9 1HB LYS 9 -5.552 -2.038 -5.636 66 HG2 LYS 9 2HG LYS 9 -7.714 -2.055 -4.670 67 HG3 LYS 9 1HG LYS 9 -7.329 -0.692 -3.626 68 HD2 LYS 9 2HD LYS 9 -7.133 0.727 -5.643 69 HD3 LYS 9 1HD LYS 9 -7.637 -0.656 -6.623 70 HE2 LYS 9 2HE LYS 9 -9.546 0.792 -6.139 71 HE3 LYS 9 1HE LYS 9 -9.727 -0.787 -5.377 72 HZ1 LYS 9 1HZ LYS 9 -8.852 1.710 -4.008 73 HZ2 LYS 9 2HZ LYS 9 -9.021 0.232 -3.238 74 HZ3 LYS 9 3HZ LYS 9 -10.363 1.008 -3.868 75 H CYS 10 HN CYS 10 -3.776 -4.202 -2.979 76 HA CYS 10 HA CYS 10 -1.199 -2.959 -3.117 77 HB2 CYS 10 2HB CYS 10 -2.077 -5.775 -2.528 78 HB3 CYS 10 1HB CYS 10 -0.394 -5.339 -2.722 79 H LYS 11 HN LYS 11 -0.886 -2.336 -5.151 80 HA LYS 11 HA LYS 11 -0.185 -4.514 -6.923 81 HB2 LYS 11 2HB LYS 11 -2.402 -3.862 -7.670 82 HB3 LYS 11 1HB LYS 11 -1.888 -2.183 -7.798 83 HG2 LYS 11 2HG LYS 11 -0.415 -2.691 -9.582 84 HG3 LYS 11 1HG LYS 11 -0.656 -4.420 -9.372 85 HD2 LYS 11 2HD LYS 11 -3.008 -4.160 -10.004 86 HD3 LYS 11 1HD LYS 11 -2.751 -2.425 -10.216 87 HE2 LYS 11 2HE LYS 11 -2.685 -3.659 -12.345 88 HE3 LYS 11 1HE LYS 11 -1.172 -2.833 -11.987 89 HZ1 LYS 11 1HZ LYS 11 -0.216 -4.922 -11.288 90 HZ2 LYS 11 2HZ LYS 11 -0.860 -5.086 -12.847 91 HZ3 LYS 11 3HZ LYS 11 -1.677 -5.731 -11.528 92 H ASP 12 HN ASP 12 -0.143 -0.975 -6.603 93 HA ASP 12 HA ASP 12 2.166 -0.726 -8.236 94 HB2 ASP 12 2HB ASP 12 0.509 1.097 -7.959 95 HB3 ASP 12 1HB ASP 12 1.013 1.273 -6.285 96 H ARG 13 HN ARG 13 4.224 -0.084 -7.627 97 HA ARG 13 HA ARG 13 5.513 -1.530 -5.654 98 HB2 ARG 13 2HB ARG 13 6.431 1.092 -6.808 99 HB3 ARG 13 1HB ARG 13 7.430 -0.108 -6.013 100 HG2 ARG 13 2HG ARG 13 7.008 -1.683 -7.800 101 HG3 ARG 13 1HG ARG 13 5.952 -0.518 -8.602 102 HD2 ARG 13 2HD ARG 13 8.881 -0.188 -8.025 103 HD3 ARG 13 1HD ARG 13 8.168 -0.503 -9.610 104 HE ARG 13 HE ARG 13 6.948 1.765 -8.862 105 HH11 ARG 13 1HH1 ARG 13 10.344 0.851 -8.908 106 HH12 ARG 13 2HH1 ARG 13 10.944 2.424 -9.131 107 HH21 ARG 13 1HH2 ARG 13 7.708 3.918 -9.210 108 HH22 ARG 13 2HH2 ARG 13 9.388 4.229 -9.320 109 H ARG 14 HN ARG 14 4.073 1.686 -5.463 110 HA ARG 14 HA ARG 14 5.410 2.491 -3.108 111 HB2 ARG 14 2HB ARG 14 2.768 3.465 -4.182 112 HB3 ARG 14 1HB ARG 14 3.719 4.249 -2.932 113 HG2 ARG 14 2HG ARG 14 4.483 3.862 -5.803 114 HG3 ARG 14 1HG ARG 14 4.051 5.376 -5.011 115 HD2 ARG 14 2HD ARG 14 6.022 5.185 -3.577 116 HD3 ARG 14 1HD ARG 14 6.435 3.655 -4.354 117 HE ARG 14 HE ARG 14 6.138 5.923 -6.092 118 HH11 ARG 14 1HH1 ARG 14 8.357 3.815 -4.320 119 HH12 ARG 14 2HH1 ARG 14 9.737 4.315 -5.158 120 HH21 ARG 14 1HH2 ARG 14 8.028 6.640 -7.226 121 HH22 ARG 14 2HH2 ARG 14 9.555 5.994 -6.857 122 H CYS 15 HN CYS 15 2.875 0.262 -3.522 123 HA CYS 15 HA CYS 15 1.931 0.656 -0.806 124 HB2 CYS 15 2HB CYS 15 1.234 -1.606 -2.656 125 HB3 CYS 15 1HB CYS 15 0.381 -1.031 -1.222 126 H LYS 16 HN LYS 16 4.455 -0.948 -2.358 127 HA LYS 16 HA LYS 16 4.278 -3.397 -0.912 128 HB2 LYS 16 2HB LYS 16 6.372 -2.345 -2.794 129 HB3 LYS 16 1HB LYS 16 6.530 -3.894 -1.976 130 HG2 LYS 16 2HG LYS 16 4.446 -4.659 -3.011 131 HG3 LYS 16 1HG LYS 16 4.274 -3.102 -3.809 132 HD2 LYS 16 2HD LYS 16 6.239 -3.487 -5.133 133 HD3 LYS 16 1HD LYS 16 6.631 -4.935 -4.209 134 HE2 LYS 16 2HE LYS 16 5.613 -5.458 -6.406 135 HE3 LYS 16 1HE LYS 16 4.675 -6.066 -5.046 136 HZ1 LYS 16 1HZ LYS 16 3.155 -4.194 -5.305 137 HZ2 LYS 16 2HZ LYS 16 3.267 -5.047 -6.747 138 HZ3 LYS 16 3HZ LYS 16 4.064 -3.599 -6.598 139 HA HYP 17 HA HYP 17 7.938 -1.567 1.722 140 HB2 HYP 17 1HB HYP 17 8.763 0.385 0.723 141 HB3 HYP 17 2HB HYP 17 7.887 1.124 2.078 142 HG HYP 17 HG HYP 17 5.957 1.478 0.755 143 HD22 HYP 17 1HD1 HYP 17 7.329 -0.232 -1.328 144 HD23 HYP 17 2HD1 HYP 17 5.594 0.131 -1.185 145 HD1 HYP 17 2HD HYP 17 6.722 1.996 -1.306 146 H LEU 18 HN LEU 18 4.683 -1.210 1.694 147 HA LEU 18 HA LEU 18 4.487 -0.015 4.347 148 HB2 LEU 18 2HB LEU 18 2.341 -0.507 2.306 149 HB3 LEU 18 1HB LEU 18 2.182 0.404 3.791 150 HG LEU 18 HG LEU 18 3.863 1.222 1.399 151 HD11 LEU 18 1HD1 LEU 18 2.196 2.957 1.125 152 HD12 LEU 18 2HD1 LEU 18 1.284 2.299 2.491 153 HD13 LEU 18 3HD1 LEU 18 1.507 1.335 1.027 154 HD21 LEU 18 1HD2 LEU 18 4.824 1.991 3.495 155 HD22 LEU 18 2HD2 LEU 18 3.251 2.665 3.962 156 HD23 LEU 18 3HD2 LEU 18 4.118 3.318 2.563 157 H LYS 19 HN LYS 19 4.017 -1.305 5.998 158 HA LYS 19 HA LYS 19 3.698 -4.096 5.646 159 HB2 LYS 19 2HB LYS 19 3.516 -2.380 8.099 160 HB3 LYS 19 1HB LYS 19 3.266 -4.118 8.142 161 HG2 LYS 19 2HG LYS 19 5.768 -2.730 7.212 162 HG3 LYS 19 1HG LYS 19 5.530 -3.505 8.782 163 HD2 LYS 19 2HD LYS 19 5.090 -5.656 7.568 164 HD3 LYS 19 1HD LYS 19 5.523 -4.837 6.070 165 HE2 LYS 19 2HE LYS 19 7.395 -6.102 6.957 166 HE3 LYS 19 1HE LYS 19 7.743 -4.375 6.933 167 HZ1 LYS 19 1HZ LYS 19 8.470 -5.387 8.997 168 HZ2 LYS 19 2HZ LYS 19 6.915 -5.960 9.294 169 HZ3 LYS 19 3HZ LYS 19 7.212 -4.309 9.316 170 H CYS 20 HN CYS 20 1.413 -1.622 5.647 171 HA CYS 20 HA CYS 20 -0.834 -3.106 6.555 172 HB2 CYS 20 2HB CYS 20 -2.143 -1.358 5.362 173 HB3 CYS 20 1HB CYS 20 -0.904 -0.662 6.405 174 H CYS 21 HN CYS 21 1.108 -3.217 3.757 175 HA CYS 21 HA CYS 21 -0.938 -4.423 2.096 176 HB2 CYS 21 2HB CYS 21 0.608 -2.668 1.214 177 HB3 CYS 21 1HB CYS 21 1.950 -3.750 1.525 178 H ALA 22 HN ALA 22 0.857 -5.503 4.552 179 HA ALA 22 HA ALA 22 1.699 -7.970 3.242 180 HB1 ALA 22 2HB ALA 22 3.373 -6.896 4.686 181 HB2 ALA 22 3HB ALA 22 2.897 -8.464 5.339 182 HB3 ALA 22 1HB ALA 22 2.260 -6.982 6.051 183 HN1 NH2 23 2H ALA 22 -0.780 -8.686 6.395 184 HN2 NH2 23 1H ALA 22 0.551 -7.603 6.551 Start of MODEL 3 1 H1 ARG 1 1HT ARG 1 0.145 10.478 2.445 2 H2 ARG 1 2HT ARG 1 1.113 9.079 2.324 3 H3 ARG 1 3HT ARG 1 0.147 9.323 3.670 4 HA ARG 1 HA ARG 1 -1.820 9.074 2.443 5 HB2 ARG 1 2HB ARG 1 -1.017 10.051 0.311 6 HB3 ARG 1 1HB ARG 1 0.006 8.637 0.077 7 HG2 ARG 1 2HG ARG 1 -1.957 7.210 -0.033 8 HG3 ARG 1 1HG ARG 1 -2.993 8.612 0.221 9 HD2 ARG 1 2HD ARG 1 -2.256 9.579 -1.859 10 HD3 ARG 1 1HD ARG 1 -1.103 8.262 -2.092 11 HE ARG 1 HE ARG 1 -3.792 7.372 -1.760 12 HH11 ARG 1 1HH1 ARG 1 -1.486 8.592 -4.123 13 HH12 ARG 1 2HH1 ARG 1 -2.210 7.803 -5.454 14 HH21 ARG 1 1HH2 ARG 1 -4.781 6.270 -3.575 15 HH22 ARG 1 2HH2 ARG 1 -4.114 6.439 -5.125 16 H ASP 2 HN ASP 2 -2.540 7.202 3.109 17 HA ASP 2 HA ASP 2 -0.802 4.857 3.052 18 HB2 ASP 2 2HB ASP 2 -3.496 5.271 4.396 19 HB3 ASP 2 1HB ASP 2 -2.531 3.810 4.498 20 H CYS 3 HN CYS 3 -1.156 3.362 1.577 21 HA CYS 3 HA CYS 3 -3.287 3.794 -0.343 22 HB2 CYS 3 2HB CYS 3 -1.027 3.356 -1.162 23 HB3 CYS 3 1HB CYS 3 -1.016 1.811 -0.325 24 H CYS 4 HN CYS 4 -2.701 1.855 2.391 25 HA CYS 4 HA CYS 4 -4.281 -0.369 1.536 26 HB2 CYS 4 2HB CYS 4 -3.188 0.315 4.260 27 HB3 CYS 4 1HB CYS 4 -3.993 -1.199 3.850 28 H THR 5 HN THR 5 -5.311 2.595 2.158 29 HA THR 5 HA THR 5 -7.541 1.864 3.777 30 HB THR 5 HB THR 5 -7.178 4.398 2.145 31 HG1 THR 5 1HG THR 5 -5.890 3.454 4.348 32 HG21 THR 5 1HG2 THR 5 -8.812 3.723 4.588 33 HG22 THR 5 2HG2 THR 5 -9.442 3.889 2.962 34 HG23 THR 5 3HG2 THR 5 -8.773 5.310 3.797 35 HA HYP 6 HA HYP 6 -9.294 -0.004 0.070 36 HB2 HYP 6 1HB HYP 6 -10.592 -1.585 1.096 37 HB3 HYP 6 2HB HYP 6 -11.758 -0.347 1.588 38 HG HYP 6 HG HYP 6 -10.817 -1.040 3.694 39 HD22 HYP 6 1HD1 HYP 6 -9.056 0.817 4.024 40 HD23 HYP 6 2HD1 HYP 6 -10.596 1.385 3.314 41 HD1 HYP 6 2HD HYP 6 -8.294 -0.703 3.202 42 HA HYP 7 HA HYP 7 -10.524 -0.456 -1.850 43 HB2 HYP 7 1HB HYP 7 -11.391 0.116 -3.893 44 HB3 HYP 7 2HB HYP 7 -10.204 1.414 -4.061 45 HG HYP 7 HG HYP 7 -12.266 2.625 -3.870 46 HD22 HYP 7 1HD1 HYP 7 -12.251 3.170 -1.299 47 HD23 HYP 7 2HD1 HYP 7 -10.682 3.358 -2.129 48 HD1 HYP 7 2HD HYP 7 -13.037 1.232 -1.668 49 H LYS 8 HN LYS 8 -8.588 -1.199 -1.954 50 HA LYS 8 HA LYS 8 -6.335 0.677 -1.987 51 HB2 LYS 8 2HB LYS 8 -5.189 -1.109 -0.598 52 HB3 LYS 8 1HB LYS 8 -6.431 -0.157 0.204 53 HG2 LYS 8 2HG LYS 8 -7.978 -1.888 0.081 54 HG3 LYS 8 1HG LYS 8 -6.983 -2.843 -1.009 55 HD2 LYS 8 2HD LYS 8 -5.320 -3.074 0.843 56 HD3 LYS 8 1HD LYS 8 -6.381 -2.122 1.881 57 HE2 LYS 8 2HE LYS 8 -7.057 -4.793 0.642 58 HE3 LYS 8 1HE LYS 8 -6.600 -4.531 2.322 59 HZ1 LYS 8 1HZ LYS 8 -9.031 -3.495 0.974 60 HZ2 LYS 8 2HZ LYS 8 -8.593 -3.107 2.540 61 HZ3 LYS 8 3HZ LYS 8 -8.978 -4.693 2.147 62 H LYS 9 HN LYS 9 -4.325 -0.246 -2.832 63 HA LYS 9 HA LYS 9 -4.794 -2.515 -4.605 64 HB2 LYS 9 2HB LYS 9 -2.885 -0.217 -5.076 65 HB3 LYS 9 1HB LYS 9 -3.021 -1.643 -6.079 66 HG2 LYS 9 2HG LYS 9 -5.400 -0.931 -6.559 67 HG3 LYS 9 1HG LYS 9 -5.018 0.588 -5.740 68 HD2 LYS 9 2HD LYS 9 -4.667 0.958 -8.076 69 HD3 LYS 9 1HD LYS 9 -3.069 0.834 -7.335 70 HE2 LYS 9 2HE LYS 9 -3.083 -1.614 -8.009 71 HE3 LYS 9 1HE LYS 9 -4.541 -1.270 -8.919 72 HZ1 LYS 9 1HZ LYS 9 -1.811 -0.235 -9.379 73 HZ2 LYS 9 2HZ LYS 9 -3.166 0.450 -10.120 74 HZ3 LYS 9 3HZ LYS 9 -2.762 -1.157 -10.420 75 H CYS 10 HN CYS 10 -4.129 -3.875 -2.917 76 HA CYS 10 HA CYS 10 -1.590 -3.413 -1.658 77 HB2 CYS 10 2HB CYS 10 -3.565 -4.301 -0.442 78 HB3 CYS 10 1HB CYS 10 -3.462 -5.766 -1.401 79 H LYS 11 HN LYS 11 -2.663 -4.967 -4.468 80 HA LYS 11 HA LYS 11 -0.460 -6.865 -4.529 81 HB2 LYS 11 2HB LYS 11 -2.434 -6.235 -6.737 82 HB3 LYS 11 1HB LYS 11 -1.332 -7.592 -6.672 83 HG2 LYS 11 2HG LYS 11 -2.554 -8.468 -4.714 84 HG3 LYS 11 1HG LYS 11 -3.703 -7.138 -4.873 85 HD2 LYS 11 2HD LYS 11 -3.149 -9.273 -6.945 86 HD3 LYS 11 1HD LYS 11 -4.562 -9.196 -5.899 87 HE2 LYS 11 2HE LYS 11 -3.805 -7.155 -8.006 88 HE3 LYS 11 1HE LYS 11 -5.044 -8.388 -8.166 89 HZ1 LYS 11 1HZ LYS 11 -5.968 -6.221 -7.594 90 HZ2 LYS 11 2HZ LYS 11 -5.095 -6.189 -6.159 91 HZ3 LYS 11 3HZ LYS 11 -6.290 -7.341 -6.385 92 H ASP 12 HN ASP 12 -1.019 -3.654 -5.261 93 HA ASP 12 HA ASP 12 0.791 -3.528 -7.523 94 HB2 ASP 12 2HB ASP 12 -1.256 -2.066 -7.317 95 HB3 ASP 12 1HB ASP 12 -0.453 -1.231 -5.993 96 H ARG 13 HN ARG 13 2.819 -2.911 -7.414 97 HA ARG 13 HA ARG 13 4.296 -3.321 -5.082 98 HB2 ARG 13 2HB ARG 13 5.063 -2.119 -7.729 99 HB3 ARG 13 1HB ARG 13 6.200 -2.227 -6.405 100 HG2 ARG 13 2HG ARG 13 6.477 -4.038 -8.038 101 HG3 ARG 13 1HG ARG 13 6.080 -4.645 -6.437 102 HD2 ARG 13 2HD ARG 13 4.918 -5.823 -8.280 103 HD3 ARG 13 1HD ARG 13 3.814 -5.091 -7.118 104 HE ARG 13 HE ARG 13 4.178 -3.243 -9.137 105 HH11 ARG 13 1HH1 ARG 13 2.940 -6.557 -8.977 106 HH12 ARG 13 2HH1 ARG 13 1.760 -6.329 -10.183 107 HH21 ARG 13 1HH2 ARG 13 2.557 -2.912 -10.753 108 HH22 ARG 13 2HH2 ARG 13 1.530 -4.186 -11.211 109 H ARG 14 HN ARG 14 2.926 -0.370 -6.348 110 HA ARG 14 HA ARG 14 4.691 1.391 -4.981 111 HB2 ARG 14 2HB ARG 14 3.320 3.145 -5.703 112 HB3 ARG 14 1HB ARG 14 3.067 1.921 -6.936 113 HG2 ARG 14 2HG ARG 14 1.004 1.240 -5.644 114 HG3 ARG 14 1HG ARG 14 1.230 2.707 -4.695 115 HD2 ARG 14 2HD ARG 14 -0.315 3.234 -6.401 116 HD3 ARG 14 1HD ARG 14 1.222 3.959 -6.891 117 HE ARG 14 HE ARG 14 0.945 1.335 -7.884 118 HH11 ARG 14 1HH1 ARG 14 -0.084 4.662 -8.515 119 HH12 ARG 14 2HH1 ARG 14 -0.458 4.369 -10.150 120 HH21 ARG 14 1HH2 ARG 14 0.375 0.936 -10.025 121 HH22 ARG 14 2HH2 ARG 14 -0.172 2.194 -11.067 122 H CYS 15 HN CYS 15 2.035 -0.531 -3.956 123 HA CYS 15 HA CYS 15 1.771 1.026 -1.494 124 HB2 CYS 15 2HB CYS 15 -0.049 -1.121 -2.592 125 HB3 CYS 15 1HB CYS 15 -0.376 -0.066 -1.222 126 H LYS 16 HN LYS 16 3.679 -1.271 -2.544 127 HA LYS 16 HA LYS 16 3.234 -3.152 -0.385 128 HB2 LYS 16 2HB LYS 16 5.001 -3.332 -2.797 129 HB3 LYS 16 1HB LYS 16 5.087 -4.483 -1.474 130 HG2 LYS 16 2HG LYS 16 2.689 -5.000 -1.833 131 HG3 LYS 16 1HG LYS 16 2.713 -3.931 -3.238 132 HD2 LYS 16 2HD LYS 16 4.363 -5.318 -4.320 133 HD3 LYS 16 1HD LYS 16 4.519 -6.321 -2.883 134 HE2 LYS 16 2HE LYS 16 2.067 -6.038 -4.617 135 HE3 LYS 16 1HE LYS 16 3.149 -7.427 -4.553 136 HZ1 LYS 16 1HZ LYS 16 1.309 -6.475 -2.412 137 HZ2 LYS 16 2HZ LYS 16 2.529 -7.598 -2.142 138 HZ3 LYS 16 3HZ LYS 16 1.296 -7.960 -3.206 139 HA HYP 17 HA HYP 17 7.415 -1.382 1.032 140 HB2 HYP 17 1HB HYP 17 8.197 0.356 -0.312 141 HB3 HYP 17 2HB HYP 17 7.542 1.352 1.002 142 HG HYP 17 HG HYP 17 5.514 1.697 -0.129 143 HD22 HYP 17 1HD1 HYP 17 6.393 -0.491 -2.023 144 HD23 HYP 17 2HD1 HYP 17 4.740 0.078 -1.698 145 HD1 HYP 17 2HD HYP 17 6.078 1.722 -2.385 146 H LEU 18 HN LEU 18 4.311 -0.296 1.217 147 HA LEU 18 HA LEU 18 4.410 1.106 3.724 148 HB2 LEU 18 2HB LEU 18 2.059 0.090 2.129 149 HB3 LEU 18 1HB LEU 18 2.041 1.352 3.350 150 HG LEU 18 HG LEU 18 3.441 1.581 0.658 151 HD11 LEU 18 1HD1 LEU 18 0.989 1.543 0.508 152 HD12 LEU 18 2HD1 LEU 18 1.707 3.076 0.037 153 HD13 LEU 18 3HD1 LEU 18 0.927 2.922 1.612 154 HD21 LEU 18 1HD2 LEU 18 4.525 2.892 2.418 155 HD22 LEU 18 2HD2 LEU 18 2.973 3.625 2.828 156 HD23 LEU 18 3HD2 LEU 18 3.703 3.929 1.253 157 H LYS 19 HN LYS 19 4.048 0.155 5.647 158 HA LYS 19 HA LYS 19 4.776 -2.484 6.002 159 HB2 LYS 19 2HB LYS 19 3.252 -0.787 7.968 160 HB3 LYS 19 1HB LYS 19 4.181 -2.226 8.356 161 HG2 LYS 19 2HG LYS 19 5.275 0.377 7.289 162 HG3 LYS 19 1HG LYS 19 5.416 -0.226 8.938 163 HD2 LYS 19 2HD LYS 19 6.758 -2.099 8.134 164 HD3 LYS 19 1HD LYS 19 6.583 -1.525 6.473 165 HE2 LYS 19 2HE LYS 19 7.703 0.574 7.105 166 HE3 LYS 19 1HE LYS 19 7.901 -0.056 8.741 167 HZ1 LYS 19 1HZ LYS 19 9.082 -1.236 6.289 168 HZ2 LYS 19 2HZ LYS 19 9.255 -1.839 7.847 169 HZ3 LYS 19 3HZ LYS 19 9.910 -0.338 7.449 170 H CYS 20 HN CYS 20 1.547 -1.232 5.755 171 HA CYS 20 HA CYS 20 0.157 -3.470 6.704 172 HB2 CYS 20 2HB CYS 20 -1.749 -2.441 5.382 173 HB3 CYS 20 1HB CYS 20 -0.969 -1.414 6.589 174 H CYS 21 HN CYS 21 1.810 -3.002 3.702 175 HA CYS 21 HA CYS 21 0.821 -5.591 2.806 176 HB2 CYS 21 2HB CYS 21 0.988 -3.086 1.130 177 HB3 CYS 21 1HB CYS 21 0.927 -4.697 0.425 178 H ALA 22 HN ALA 22 3.262 -4.458 4.114 179 HA ALA 22 HA ALA 22 5.280 -5.125 2.110 180 HB1 ALA 22 2HB ALA 22 6.903 -4.165 3.669 181 HB2 ALA 22 3HB ALA 22 5.621 -3.916 4.854 182 HB3 ALA 22 1HB ALA 22 5.606 -3.017 3.337 183 HN1 NH2 23 2H ALA 22 5.736 -8.285 3.372 184 HN2 NH2 23 1H ALA 22 5.602 -7.197 2.029 Start of MODEL 4 1 H1 ARG 1 1HT ARG 1 1.438 7.870 3.479 2 H2 ARG 1 2HT ARG 1 2.346 8.381 2.153 3 H3 ARG 1 3HT ARG 1 2.281 6.753 2.577 4 HA ARG 1 HA ARG 1 -0.030 8.293 1.644 5 HB2 ARG 1 2HB ARG 1 1.535 7.939 -0.178 6 HB3 ARG 1 1HB ARG 1 1.735 6.255 0.276 7 HG2 ARG 1 2HG ARG 1 -0.597 5.817 -0.285 8 HG3 ARG 1 1HG ARG 1 -0.801 7.505 -0.733 9 HD2 ARG 1 2HD ARG 1 1.163 5.629 -2.039 10 HD3 ARG 1 1HD ARG 1 -0.459 5.935 -2.648 11 HE ARG 1 HE ARG 1 1.075 8.323 -2.279 12 HH11 ARG 1 1HH1 ARG 1 0.424 5.656 -4.490 13 HH12 ARG 1 2HH1 ARG 1 0.845 6.508 -5.895 14 HH21 ARG 1 1HH2 ARG 1 1.665 9.528 -4.239 15 HH22 ARG 1 2HH2 ARG 1 1.594 8.745 -5.745 16 H ASP 2 HN ASP 2 -1.926 7.297 2.142 17 HA ASP 2 HA ASP 2 -1.765 4.712 3.407 18 HB2 ASP 2 2HB ASP 2 -4.159 4.900 3.847 19 HB3 ASP 2 1HB ASP 2 -3.382 6.402 4.310 20 H CYS 3 HN CYS 3 -2.111 2.888 2.450 21 HA CYS 3 HA CYS 3 -3.261 2.964 -0.247 22 HB2 CYS 3 2HB CYS 3 -0.828 2.462 -0.164 23 HB3 CYS 3 1HB CYS 3 -1.199 1.024 0.784 24 H CYS 4 HN CYS 4 -3.543 1.820 2.901 25 HA CYS 4 HA CYS 4 -4.885 -0.636 2.248 26 HB2 CYS 4 2HB CYS 4 -4.363 0.697 4.896 27 HB3 CYS 4 1HB CYS 4 -5.018 -0.927 4.679 28 H THR 5 HN THR 5 -5.899 2.457 2.100 29 HA THR 5 HA THR 5 -8.386 2.107 3.404 30 HB THR 5 HB THR 5 -7.634 4.189 1.327 31 HG1 THR 5 1HG THR 5 -6.500 5.057 2.850 32 HG21 THR 5 1HG2 THR 5 -10.040 3.967 1.779 33 HG22 THR 5 2HG2 THR 5 -9.423 5.504 2.409 34 HG23 THR 5 3HG2 THR 5 -9.729 4.141 3.499 35 HA HYP 6 HA HYP 6 -9.750 -0.584 0.103 36 HB2 HYP 6 1HB HYP 6 -11.331 -1.726 1.292 37 HB3 HYP 6 2HB HYP 6 -12.447 -0.356 1.177 38 HG HYP 6 HG HYP 6 -11.949 -0.398 3.532 39 HD22 HYP 6 1HD1 HYP 6 -10.059 1.357 3.641 40 HD23 HYP 6 2HD1 HYP 6 -11.393 1.771 2.520 41 HD1 HYP 6 2HD HYP 6 -9.293 -0.447 3.231 42 HA HYP 7 HA HYP 7 -10.607 -1.425 -1.734 43 HB2 HYP 7 1HB HYP 7 -11.290 -1.443 -3.907 44 HB3 HYP 7 2HB HYP 7 -9.813 -0.572 -4.336 45 HG HYP 7 HG HYP 7 -11.360 1.105 -4.912 46 HD22 HYP 7 1HD1 HYP 7 -11.926 2.313 -2.605 47 HD23 HYP 7 2HD1 HYP 7 -10.204 2.119 -3.026 48 HD1 HYP 7 2HD HYP 7 -12.981 0.145 -2.848 49 H LYS 8 HN LYS 8 -8.756 -2.154 -1.174 50 HA LYS 8 HA LYS 8 -6.556 -0.436 -0.676 51 HB2 LYS 8 2HB LYS 8 -6.624 -3.444 -0.594 52 HB3 LYS 8 1HB LYS 8 -5.433 -2.394 0.152 53 HG2 LYS 8 2HG LYS 8 -7.293 -1.444 1.541 54 HG3 LYS 8 1HG LYS 8 -8.315 -2.697 0.870 55 HD2 LYS 8 2HD LYS 8 -6.871 -4.441 1.687 56 HD3 LYS 8 1HD LYS 8 -5.749 -3.245 2.332 57 HE2 LYS 8 2HE LYS 8 -7.463 -2.436 3.848 58 HE3 LYS 8 1HE LYS 8 -8.609 -3.602 3.194 59 HZ1 LYS 8 1HZ LYS 8 -7.285 -5.389 4.022 60 HZ2 LYS 8 2HZ LYS 8 -7.516 -4.293 5.294 61 HZ3 LYS 8 3HZ LYS 8 -6.057 -4.350 4.501 62 H LYS 9 HN LYS 9 -4.746 -0.210 -1.749 63 HA LYS 9 HA LYS 9 -4.703 -1.359 -4.434 64 HB2 LYS 9 2HB LYS 9 -3.617 1.207 -3.293 65 HB3 LYS 9 1HB LYS 9 -3.220 0.634 -4.909 66 HG2 LYS 9 2HG LYS 9 -5.406 0.880 -5.682 67 HG3 LYS 9 1HG LYS 9 -6.075 0.939 -4.053 68 HD2 LYS 9 2HD LYS 9 -4.228 3.060 -5.117 69 HD3 LYS 9 1HD LYS 9 -5.974 3.130 -5.353 70 HE2 LYS 9 2HE LYS 9 -4.596 2.944 -2.663 71 HE3 LYS 9 1HE LYS 9 -5.199 4.428 -3.385 72 HZ1 LYS 9 1HZ LYS 9 -6.936 2.081 -2.663 73 HZ2 LYS 9 2HZ LYS 9 -7.443 3.549 -3.295 74 HZ3 LYS 9 3HZ LYS 9 -6.764 3.508 -1.775 75 H CYS 10 HN CYS 10 -3.713 -2.483 -1.855 76 HA CYS 10 HA CYS 10 -0.882 -2.509 -1.795 77 HB2 CYS 10 2HB CYS 10 -2.860 -4.526 -0.733 78 HB3 CYS 10 1HB CYS 10 -1.162 -4.473 -0.294 79 H LYS 11 HN LYS 11 -2.866 -3.648 -4.058 80 HA LYS 11 HA LYS 11 -1.646 -6.096 -4.894 81 HB2 LYS 11 2HB LYS 11 -3.380 -4.091 -6.339 82 HB3 LYS 11 1HB LYS 11 -2.971 -5.680 -6.949 83 HG2 LYS 11 2HG LYS 11 -4.568 -5.127 -4.447 84 HG3 LYS 11 1HG LYS 11 -5.250 -5.544 -6.014 85 HD2 LYS 11 2HD LYS 11 -3.439 -7.267 -4.323 86 HD3 LYS 11 1HD LYS 11 -5.167 -7.497 -4.574 87 HE2 LYS 11 2HE LYS 11 -4.740 -7.832 -6.994 88 HE3 LYS 11 1HE LYS 11 -3.016 -7.660 -6.685 89 HZ1 LYS 11 1HZ LYS 11 -3.529 -9.947 -6.796 90 HZ2 LYS 11 2HZ LYS 11 -4.793 -9.801 -5.693 91 HZ3 LYS 11 3HZ LYS 11 -3.202 -9.594 -5.174 92 H ASP 12 HN ASP 12 -1.078 -2.702 -5.221 93 HA ASP 12 HA ASP 12 0.501 -2.940 -7.652 94 HB2 ASP 12 2HB ASP 12 -1.180 -1.050 -7.161 95 HB3 ASP 12 1HB ASP 12 -0.003 -0.468 -6.000 96 H ARG 13 HN ARG 13 2.653 -2.629 -7.694 97 HA ARG 13 HA ARG 13 4.294 -3.248 -5.520 98 HB2 ARG 13 2HB ARG 13 6.165 -2.505 -6.968 99 HB3 ARG 13 1HB ARG 13 5.066 -3.622 -7.766 100 HG2 ARG 13 2HG ARG 13 3.972 -1.709 -8.863 101 HG3 ARG 13 1HG ARG 13 5.137 -0.633 -8.102 102 HD2 ARG 13 2HD ARG 13 6.948 -1.663 -9.317 103 HD3 ARG 13 1HD ARG 13 5.851 -2.880 -9.981 104 HE ARG 13 HE ARG 13 4.760 -0.487 -10.655 105 HH11 ARG 13 1HH1 ARG 13 7.888 -1.987 -11.303 106 HH12 ARG 13 2HH1 ARG 13 8.065 -1.278 -12.847 107 HH21 ARG 13 1HH2 ARG 13 5.033 0.487 -12.784 108 HH22 ARG 13 2HH2 ARG 13 6.432 0.137 -13.682 109 H ARG 14 HN ARG 14 3.003 -0.187 -6.529 110 HA ARG 14 HA ARG 14 4.727 1.646 -5.313 111 HB2 ARG 14 2HB ARG 14 1.734 1.685 -5.647 112 HB3 ARG 14 1HB ARG 14 2.655 3.059 -5.065 113 HG2 ARG 14 2HG ARG 14 3.776 3.290 -7.129 114 HG3 ARG 14 1HG ARG 14 3.173 1.731 -7.695 115 HD2 ARG 14 2HD ARG 14 0.919 2.588 -7.743 116 HD3 ARG 14 1HD ARG 14 1.458 4.115 -7.048 117 HE ARG 14 HE ARG 14 2.785 4.415 -9.083 118 HH11 ARG 14 1HH1 ARG 14 0.112 2.079 -9.320 119 HH12 ARG 14 2HH1 ARG 14 -0.300 2.514 -10.902 120 HH21 ARG 14 1HH2 ARG 14 2.204 4.963 -11.308 121 HH22 ARG 14 2HH2 ARG 14 0.927 4.170 -12.084 122 H CYS 15 HN CYS 15 2.445 -0.557 -3.911 123 HA CYS 15 HA CYS 15 2.649 0.805 -1.340 124 HB2 CYS 15 2HB CYS 15 0.728 -1.289 -2.307 125 HB3 CYS 15 1HB CYS 15 0.673 -0.504 -0.727 126 H LYS 16 HN LYS 16 4.486 -1.243 -2.783 127 HA LYS 16 HA LYS 16 4.496 -3.451 -0.940 128 HB2 LYS 16 2HB LYS 16 5.189 -3.784 -3.259 129 HB3 LYS 16 1HB LYS 16 6.494 -2.632 -3.056 130 HG2 LYS 16 2HG LYS 16 7.600 -4.144 -1.496 131 HG3 LYS 16 1HG LYS 16 6.267 -5.296 -1.661 132 HD2 LYS 16 2HD LYS 16 6.709 -5.503 -4.026 133 HD3 LYS 16 1HD LYS 16 8.006 -4.314 -3.911 134 HE2 LYS 16 2HE LYS 16 9.243 -5.824 -2.441 135 HE3 LYS 16 1HE LYS 16 7.938 -7.008 -2.554 136 HZ1 LYS 16 1HZ LYS 16 8.333 -7.139 -4.939 137 HZ2 LYS 16 2HZ LYS 16 9.716 -7.543 -4.084 138 HZ3 LYS 16 3HZ LYS 16 9.611 -6.044 -4.826 139 HA HYP 17 HA HYP 17 8.249 -0.896 0.961 140 HB2 HYP 17 1HB HYP 17 8.879 0.846 -0.483 141 HB3 HYP 17 2HB HYP 17 8.005 1.822 0.711 142 HG HYP 17 HG HYP 17 5.983 1.667 -0.522 143 HD22 HYP 17 1HD1 HYP 17 7.523 -0.353 -2.175 144 HD23 HYP 17 2HD1 HYP 17 5.760 -0.079 -2.184 145 HD1 HYP 17 2HD HYP 17 6.464 2.042 -2.595 146 H LEU 18 HN LEU 18 4.948 -0.389 0.932 147 HA LEU 18 HA LEU 18 4.804 1.101 3.429 148 HB2 LEU 18 2HB LEU 18 2.610 0.085 1.609 149 HB3 LEU 18 1HB LEU 18 2.386 1.154 2.976 150 HG LEU 18 HG LEU 18 3.859 1.846 0.417 151 HD11 LEU 18 1HD1 LEU 18 2.000 3.359 0.022 152 HD12 LEU 18 2HD1 LEU 18 1.219 2.806 1.500 153 HD13 LEU 18 3HD1 LEU 18 1.428 1.695 0.149 154 HD21 LEU 18 1HD2 LEU 18 3.218 3.536 2.834 155 HD22 LEU 18 2HD2 LEU 18 3.930 4.117 1.329 156 HD23 LEU 18 3HD2 LEU 18 4.820 2.985 2.348 157 H LYS 19 HN LYS 19 4.866 -0.044 5.240 158 HA LYS 19 HA LYS 19 4.856 -2.870 5.108 159 HB2 LYS 19 2HB LYS 19 5.354 -2.913 7.462 160 HB3 LYS 19 1HB LYS 19 6.288 -1.642 6.698 161 HG2 LYS 19 2HG LYS 19 4.660 0.007 7.548 162 HG3 LYS 19 1HG LYS 19 3.821 -1.307 8.370 163 HD2 LYS 19 2HD LYS 19 5.951 -1.838 9.551 164 HD3 LYS 19 1HD LYS 19 6.649 -0.384 8.844 165 HE2 LYS 19 2HE LYS 19 5.915 0.149 11.064 166 HE3 LYS 19 1HE LYS 19 4.830 0.937 9.921 167 HZ1 LYS 19 1HZ LYS 19 3.232 -0.889 10.292 168 HZ2 LYS 19 2HZ LYS 19 3.595 -0.048 11.697 169 HZ3 LYS 19 3HZ LYS 19 4.294 -1.557 11.431 170 H CYS 20 HN CYS 20 2.335 -0.676 5.532 171 HA CYS 20 HA CYS 20 0.520 -2.290 6.980 172 HB2 CYS 20 2HB CYS 20 0.143 0.117 6.654 173 HB3 CYS 20 1HB CYS 20 -0.012 -0.122 4.922 174 H CYS 21 HN CYS 21 1.624 -2.287 3.679 175 HA CYS 21 HA CYS 21 -0.407 -4.241 2.894 176 HB2 CYS 21 2HB CYS 21 1.554 -2.616 1.286 177 HB3 CYS 21 1HB CYS 21 0.470 -3.790 0.574 178 H ALA 22 HN ALA 22 2.345 -4.351 4.455 179 HA ALA 22 HA ALA 22 3.499 -6.507 2.850 180 HB1 ALA 22 2HB ALA 22 5.027 -4.646 3.385 181 HB2 ALA 22 3HB ALA 22 5.555 -6.168 4.104 182 HB3 ALA 22 1HB ALA 22 4.763 -4.951 5.104 183 HN1 NH2 23 2H ALA 22 2.029 -8.713 5.096 184 HN2 NH2 23 1H ALA 22 2.058 -8.060 3.497 Start of MODEL 5 1 H1 ARG 1 1HT ARG 1 2.293 7.763 -0.183 2 H2 ARG 1 2HT ARG 1 1.253 8.948 0.394 3 H3 ARG 1 3HT ARG 1 1.937 9.091 -1.154 4 HA ARG 1 HA ARG 1 -0.365 8.390 -1.254 5 HB2 ARG 1 2HB ARG 1 1.072 7.629 -3.053 6 HB3 ARG 1 1HB ARG 1 1.702 6.331 -2.062 7 HG2 ARG 1 2HG ARG 1 0.210 5.376 -3.673 8 HG3 ARG 1 1HG ARG 1 -0.556 5.272 -2.095 9 HD2 ARG 1 2HD ARG 1 -1.161 7.384 -4.170 10 HD3 ARG 1 1HD ARG 1 -2.088 5.913 -3.955 11 HE ARG 1 HE ARG 1 -2.548 6.768 -1.647 12 HH11 ARG 1 1HH1 ARG 1 -1.830 9.021 -4.310 13 HH12 ARG 1 2HH1 ARG 1 -2.786 10.272 -3.685 14 HH21 ARG 1 1HH2 ARG 1 -3.826 8.596 -0.739 15 HH22 ARG 1 2HH2 ARG 1 -3.932 10.011 -1.655 16 H ASP 2 HN ASP 2 -1.631 7.959 0.509 17 HA ASP 2 HA ASP 2 -1.183 5.651 2.113 18 HB2 ASP 2 2HB ASP 2 -3.340 6.111 3.140 19 HB3 ASP 2 1HB ASP 2 -2.563 7.661 2.873 20 H CYS 3 HN CYS 3 -1.496 3.682 1.472 21 HA CYS 3 HA CYS 3 -3.332 3.275 -0.788 22 HB2 CYS 3 2HB CYS 3 -0.873 3.146 -1.350 23 HB3 CYS 3 1HB CYS 3 -0.796 1.709 -0.342 24 H CYS 4 HN CYS 4 -2.694 2.493 2.408 25 HA CYS 4 HA CYS 4 -3.798 -0.176 2.192 26 HB2 CYS 4 2HB CYS 4 -2.723 1.287 4.605 27 HB3 CYS 4 1HB CYS 4 -3.223 -0.401 4.555 28 H THR 5 HN THR 5 -5.003 2.887 2.455 29 HA THR 5 HA THR 5 -7.056 2.447 4.307 30 HB THR 5 HB THR 5 -7.170 4.289 1.904 31 HG1 THR 5 1HG THR 5 -5.799 5.583 2.891 32 HG21 THR 5 1HG2 THR 5 -9.219 4.006 3.214 33 HG22 THR 5 2HG2 THR 5 -8.575 5.642 3.435 34 HG23 THR 5 3HG2 THR 5 -8.343 4.406 4.682 35 HA HYP 6 HA HYP 6 -9.019 -0.597 1.677 36 HB2 HYP 6 1HB HYP 6 -10.297 -1.700 3.222 37 HB3 HYP 6 2HB HYP 6 -11.394 -0.319 3.384 38 HG HYP 6 HG HYP 6 -10.210 -0.383 5.509 39 HD22 HYP 6 1HD1 HYP 6 -8.524 1.514 5.047 40 HD23 HYP 6 2HD1 HYP 6 -10.149 1.813 4.367 41 HD1 HYP 6 2HD HYP 6 -7.787 -0.251 4.373 42 HA HYP 7 HA HYP 7 -10.350 -1.771 0.393 43 HB2 HYP 7 1HB HYP 7 -11.774 -2.134 -1.348 44 HB3 HYP 7 2HB HYP 7 -10.486 -1.532 -2.397 45 HG HYP 7 HG HYP 7 -11.997 0.163 -2.883 46 HD22 HYP 7 1HD1 HYP 7 -12.032 1.791 -0.729 47 HD23 HYP 7 2HD1 HYP 7 -10.489 1.510 -1.574 48 HD1 HYP 7 2HD HYP 7 -13.618 0.697 -1.435 49 H LYS 8 HN LYS 8 -8.467 -2.593 0.171 50 HA LYS 8 HA LYS 8 -6.427 -1.018 -1.161 51 HB2 LYS 8 2HB LYS 8 -4.824 -2.164 0.468 52 HB3 LYS 8 1HB LYS 8 -5.835 -0.865 1.091 53 HG2 LYS 8 2HG LYS 8 -7.320 -2.368 2.057 54 HG3 LYS 8 1HG LYS 8 -6.561 -3.760 1.317 55 HD2 LYS 8 2HD LYS 8 -5.234 -1.899 3.339 56 HD3 LYS 8 1HD LYS 8 -5.977 -3.429 3.777 57 HE2 LYS 8 2HE LYS 8 -3.623 -3.105 1.897 58 HE3 LYS 8 1HE LYS 8 -3.517 -3.571 3.590 59 HZ1 LYS 8 1HZ LYS 8 -4.890 -5.117 1.451 60 HZ2 LYS 8 2HZ LYS 8 -4.858 -5.546 3.057 61 HZ3 LYS 8 3HZ LYS 8 -3.431 -5.526 2.175 62 H LYS 9 HN LYS 9 -5.446 -1.913 -2.697 63 HA LYS 9 HA LYS 9 -5.229 -4.804 -2.900 64 HB2 LYS 9 2HB LYS 9 -6.100 -2.953 -5.142 65 HB3 LYS 9 1HB LYS 9 -5.610 -4.617 -5.388 66 HG2 LYS 9 2HG LYS 9 -7.482 -5.346 -3.953 67 HG3 LYS 9 1HG LYS 9 -7.976 -3.668 -3.780 68 HD2 LYS 9 2HD LYS 9 -9.393 -4.589 -5.437 69 HD3 LYS 9 1HD LYS 9 -8.219 -3.618 -6.309 70 HE2 LYS 9 2HE LYS 9 -7.993 -6.619 -5.962 71 HE3 LYS 9 1HE LYS 9 -8.790 -5.868 -7.333 72 HZ1 LYS 9 1HZ LYS 9 -5.886 -5.721 -6.645 73 HZ2 LYS 9 2HZ LYS 9 -6.623 -4.794 -7.851 74 HZ3 LYS 9 3HZ LYS 9 -6.610 -6.437 -7.982 75 H CYS 10 HN CYS 10 -3.137 -5.115 -2.795 76 HA CYS 10 HA CYS 10 -1.306 -3.019 -3.465 77 HB2 CYS 10 2HB CYS 10 -0.771 -5.828 -2.512 78 HB3 CYS 10 1HB CYS 10 0.457 -4.587 -2.729 79 H LYS 11 HN LYS 11 -2.033 -2.976 -5.677 80 HA LYS 11 HA LYS 11 -0.649 -4.940 -7.369 81 HB2 LYS 11 2HB LYS 11 -1.972 -4.077 -9.219 82 HB3 LYS 11 1HB LYS 11 -3.016 -4.517 -7.877 83 HG2 LYS 11 2HG LYS 11 -3.112 -2.099 -7.244 84 HG3 LYS 11 1HG LYS 11 -2.224 -1.731 -8.722 85 HD2 LYS 11 2HD LYS 11 -4.907 -3.113 -8.568 86 HD3 LYS 11 1HD LYS 11 -4.650 -1.426 -8.998 87 HE2 LYS 11 2HE LYS 11 -3.560 -3.785 -10.545 88 HE3 LYS 11 1HE LYS 11 -5.036 -2.927 -10.952 89 HZ1 LYS 11 1HZ LYS 11 -2.315 -1.732 -10.890 90 HZ2 LYS 11 2HZ LYS 11 -3.720 -0.921 -11.304 91 HZ3 LYS 11 3HZ LYS 11 -3.154 -2.184 -12.268 92 H ASP 12 HN ASP 12 -0.392 -1.829 -6.119 93 HA ASP 12 HA ASP 12 1.453 -0.966 -8.217 94 HB2 ASP 12 2HB ASP 12 -0.482 0.538 -7.507 95 HB3 ASP 12 1HB ASP 12 0.327 0.694 -5.951 96 H ARG 13 HN ARG 13 3.602 -0.754 -7.697 97 HA ARG 13 HA ARG 13 4.446 -2.125 -5.377 98 HB2 ARG 13 2HB ARG 13 6.703 -1.751 -6.080 99 HB3 ARG 13 1HB ARG 13 5.728 -2.205 -7.468 100 HG2 ARG 13 2HG ARG 13 5.637 0.091 -8.182 101 HG3 ARG 13 1HG ARG 13 6.570 0.597 -6.767 102 HD2 ARG 13 2HD ARG 13 8.421 -0.822 -7.535 103 HD3 ARG 13 1HD ARG 13 7.453 -1.263 -8.944 104 HE ARG 13 HE ARG 13 7.988 1.538 -8.465 105 HH11 ARG 13 1HH1 ARG 13 8.642 -1.372 -10.381 106 HH12 ARG 13 2HH1 ARG 13 9.379 -0.537 -11.666 107 HH21 ARG 13 1HH2 ARG 13 9.023 2.689 -10.207 108 HH22 ARG 13 2HH2 ARG 13 9.593 1.825 -11.560 109 H ARG 14 HN ARG 14 3.658 1.182 -5.835 110 HA ARG 14 HA ARG 14 5.404 2.224 -3.833 111 HB2 ARG 14 2HB ARG 14 2.785 3.235 -4.942 112 HB3 ARG 14 1HB ARG 14 3.728 4.117 -3.752 113 HG2 ARG 14 2HG ARG 14 5.531 4.406 -5.289 114 HG3 ARG 14 1HG ARG 14 4.785 3.300 -6.444 115 HD2 ARG 14 2HD ARG 14 3.566 5.902 -5.538 116 HD3 ARG 14 1HD ARG 14 4.468 5.688 -7.043 117 HE ARG 14 HE ARG 14 2.554 3.731 -7.015 118 HH11 ARG 14 1HH1 ARG 14 2.404 7.284 -6.900 119 HH12 ARG 14 2HH1 ARG 14 0.999 7.390 -7.846 120 HH21 ARG 14 1HH2 ARG 14 0.682 3.875 -8.277 121 HH22 ARG 14 2HH2 ARG 14 -0.056 5.376 -8.630 122 H CYS 15 HN CYS 15 2.609 0.303 -3.772 123 HA CYS 15 HA CYS 15 1.854 1.011 -1.062 124 HB2 CYS 15 2HB CYS 15 0.784 -1.172 -2.840 125 HB3 CYS 15 1HB CYS 15 0.008 -0.453 -1.430 126 H LYS 16 HN LYS 16 4.228 -0.779 -2.442 127 HA LYS 16 HA LYS 16 3.818 -3.238 -0.981 128 HB2 LYS 16 2HB LYS 16 4.592 -3.325 -3.288 129 HB3 LYS 16 1HB LYS 16 6.025 -2.408 -2.859 130 HG2 LYS 16 2HG LYS 16 6.802 -4.228 -1.475 131 HG3 LYS 16 1HG LYS 16 5.320 -5.127 -1.815 132 HD2 LYS 16 2HD LYS 16 5.887 -5.111 -4.207 133 HD3 LYS 16 1HD LYS 16 7.396 -4.285 -3.823 134 HE2 LYS 16 2HE LYS 16 7.701 -6.709 -4.097 135 HE3 LYS 16 1HE LYS 16 8.127 -6.137 -2.484 136 HZ1 LYS 16 1HZ LYS 16 6.848 -8.184 -2.426 137 HZ2 LYS 16 2HZ LYS 16 5.552 -7.461 -3.194 138 HZ3 LYS 16 3HZ LYS 16 6.046 -6.943 -1.653 139 HA HYP 17 HA HYP 17 7.768 -1.518 1.326 140 HB2 HYP 17 1HB HYP 17 8.702 0.299 0.214 141 HB3 HYP 17 2HB HYP 17 7.855 1.217 1.480 142 HG HYP 17 HG HYP 17 5.964 1.536 0.118 143 HD22 HYP 17 1HD1 HYP 17 7.268 -0.500 -1.692 144 HD23 HYP 17 2HD1 HYP 17 5.571 0.041 -1.707 145 HD1 HYP 17 2HD HYP 17 6.561 2.222 -1.691 146 H LEU 18 HN LEU 18 4.590 -0.641 1.328 147 HA LEU 18 HA LEU 18 4.502 0.633 3.914 148 HB2 LEU 18 2HB LEU 18 2.279 -0.182 2.044 149 HB3 LEU 18 1HB LEU 18 2.095 0.799 3.482 150 HG LEU 18 HG LEU 18 3.600 1.619 0.971 151 HD11 LEU 18 1HD1 LEU 18 1.005 2.620 2.138 152 HD12 LEU 18 2HD1 LEU 18 1.140 1.546 0.757 153 HD13 LEU 18 3HD1 LEU 18 1.783 3.189 0.658 154 HD21 LEU 18 1HD2 LEU 18 3.743 3.812 2.046 155 HD22 LEU 18 2HD2 LEU 18 4.607 2.587 2.972 156 HD23 LEU 18 3HD2 LEU 18 3.022 3.149 3.511 157 H LYS 19 HN LYS 19 4.504 -0.557 5.638 158 HA LYS 19 HA LYS 19 4.377 -3.377 5.595 159 HB2 LYS 19 2HB LYS 19 4.473 -3.232 8.096 160 HB3 LYS 19 1HB LYS 19 5.760 -2.404 7.238 161 HG2 LYS 19 2HG LYS 19 4.500 -0.269 7.577 162 HG3 LYS 19 1HG LYS 19 3.356 -1.167 8.563 163 HD2 LYS 19 2HD LYS 19 5.007 -0.027 9.963 164 HD3 LYS 19 1HD LYS 19 5.149 -1.774 10.115 165 HE2 LYS 19 2HE LYS 19 7.349 -0.704 9.991 166 HE3 LYS 19 1HE LYS 19 7.093 -1.765 8.619 167 HZ1 LYS 19 1HZ LYS 19 8.120 0.330 7.976 168 HZ2 LYS 19 2HZ LYS 19 6.829 1.208 8.586 169 HZ3 LYS 19 3HZ LYS 19 6.615 0.194 7.252 170 H CYS 20 HN CYS 20 1.846 -1.198 5.710 171 HA CYS 20 HA CYS 20 -0.011 -2.873 7.109 172 HB2 CYS 20 2HB CYS 20 -1.631 -1.127 6.169 173 HB3 CYS 20 1HB CYS 20 -0.409 -0.576 7.314 174 H CYS 21 HN CYS 21 1.282 -2.803 3.965 175 HA CYS 21 HA CYS 21 -0.975 -3.746 2.513 176 HB2 CYS 21 2HB CYS 21 0.786 -2.705 1.272 177 HB3 CYS 21 1HB CYS 21 1.994 -3.777 1.963 178 H ALA 22 HN ALA 22 1.677 -5.242 4.235 179 HA ALA 22 HA ALA 22 0.314 -7.806 4.000 180 HB1 ALA 22 2HB ALA 22 3.293 -7.365 3.728 181 HB2 ALA 22 3HB ALA 22 2.195 -7.790 2.416 182 HB3 ALA 22 1HB ALA 22 2.479 -8.928 3.734 183 HN1 NH2 23 2H ALA 22 0.515 -7.436 7.469 184 HN2 NH2 23 1H ALA 22 -0.480 -7.429 6.056 Start of MODEL 6 1 H1 ARG 1 1HT ARG 1 -0.557 10.364 -2.304 2 H2 ARG 1 2HT ARG 1 0.058 8.775 -2.134 3 H3 ARG 1 3HT ARG 1 0.269 9.897 -0.915 4 HA ARG 1 HA ARG 1 -1.961 9.975 -0.352 5 HB2 ARG 1 2HB ARG 1 -3.648 8.582 -1.392 6 HB3 ARG 1 1HB ARG 1 -2.918 9.550 -2.655 7 HG2 ARG 1 2HG ARG 1 -1.676 7.671 -3.439 8 HG3 ARG 1 1HG ARG 1 -2.181 6.697 -2.057 9 HD2 ARG 1 2HD ARG 1 -4.525 6.917 -2.827 10 HD3 ARG 1 1HD ARG 1 -3.943 7.791 -4.245 11 HE ARG 1 HE ARG 1 -2.531 5.444 -4.150 12 HH11 ARG 1 1HH1 ARG 1 -5.935 6.311 -4.477 13 HH12 ARG 1 2HH1 ARG 1 -6.360 4.945 -5.384 14 HH21 ARG 1 1HH2 ARG 1 -3.096 3.515 -5.380 15 HH22 ARG 1 2HH2 ARG 1 -4.689 3.338 -5.924 16 H ASP 2 HN ASP 2 -3.175 8.029 0.606 17 HA ASP 2 HA ASP 2 -1.197 6.224 1.764 18 HB2 ASP 2 2HB ASP 2 -2.600 7.514 3.283 19 HB3 ASP 2 1HB ASP 2 -4.050 6.877 2.501 20 H CYS 3 HN CYS 3 -1.142 4.204 1.069 21 HA CYS 3 HA CYS 3 -3.160 3.317 -0.864 22 HB2 CYS 3 2HB CYS 3 -0.789 2.991 -1.484 23 HB3 CYS 3 1HB CYS 3 -0.557 1.967 -0.074 24 H CYS 4 HN CYS 4 -2.522 2.977 2.400 25 HA CYS 4 HA CYS 4 -3.549 0.307 2.771 26 HB2 CYS 4 2HB CYS 4 -1.859 1.392 4.275 27 HB3 CYS 4 1HB CYS 4 -3.104 2.519 4.796 28 H THR 5 HN THR 5 -4.893 3.284 2.147 29 HA THR 5 HA THR 5 -7.142 3.286 3.723 30 HB THR 5 HB THR 5 -6.911 4.411 0.922 31 HG1 THR 5 1HG THR 5 -5.413 5.007 2.962 32 HG21 THR 5 1HG2 THR 5 -8.642 5.969 1.758 33 HG22 THR 5 2HG2 THR 5 -8.648 5.051 3.282 34 HG23 THR 5 3HG2 THR 5 -9.159 4.274 1.801 35 HA HYP 6 HA HYP 6 -9.067 -0.242 1.770 36 HB2 HYP 6 1HB HYP 6 -10.008 -1.154 3.638 37 HB3 HYP 6 2HB HYP 6 -11.269 0.090 3.627 38 HG HYP 6 HG HYP 6 -10.058 0.635 5.617 39 HD22 HYP 6 1HD1 HYP 6 -8.451 2.447 4.709 40 HD23 HYP 6 2HD1 HYP 6 -10.129 2.549 4.101 41 HD1 HYP 6 2HD HYP 6 -7.637 0.644 4.458 42 HA HYP 7 HA HYP 7 -10.479 -1.630 0.958 43 HB2 HYP 7 1HB HYP 7 -12.053 -2.602 -0.396 44 HB3 HYP 7 2HB HYP 7 -11.382 -1.767 -1.805 45 HG HYP 7 HG HYP 7 -13.500 -0.721 -1.617 46 HD22 HYP 7 1HD1 HYP 7 -12.900 1.383 -0.125 47 HD23 HYP 7 2HD1 HYP 7 -11.797 1.021 -1.478 48 HD1 HYP 7 2HD HYP 7 -13.580 -0.102 0.947 49 H LYS 8 HN LYS 8 -8.416 -1.836 0.784 50 HA LYS 8 HA LYS 8 -6.847 -0.325 -1.095 51 HB2 LYS 8 2HB LYS 8 -4.939 -1.531 0.117 52 HB3 LYS 8 1HB LYS 8 -5.900 -0.380 1.038 53 HG2 LYS 8 2HG LYS 8 -7.087 -2.030 2.083 54 HG3 LYS 8 1HG LYS 8 -6.496 -3.322 1.042 55 HD2 LYS 8 2HD LYS 8 -4.223 -2.926 2.046 56 HD3 LYS 8 1HD LYS 8 -4.946 -1.704 3.099 57 HE2 LYS 8 2HE LYS 8 -6.425 -3.405 4.051 58 HE3 LYS 8 1HE LYS 8 -5.701 -4.630 3.021 59 HZ1 LYS 8 1HZ LYS 8 -3.562 -4.209 4.176 60 HZ2 LYS 8 2HZ LYS 8 -4.770 -4.705 5.237 61 HZ3 LYS 8 3HZ LYS 8 -4.349 -3.086 5.156 62 H LYS 9 HN LYS 9 -5.710 -1.053 -2.755 63 HA LYS 9 HA LYS 9 -5.916 -3.908 -3.453 64 HB2 LYS 9 2HB LYS 9 -5.524 -1.654 -5.452 65 HB3 LYS 9 1HB LYS 9 -5.808 -3.335 -5.806 66 HG2 LYS 9 2HG LYS 9 -7.791 -2.237 -6.377 67 HG3 LYS 9 1HG LYS 9 -8.136 -2.980 -4.816 68 HD2 LYS 9 2HD LYS 9 -7.826 -0.872 -3.690 69 HD3 LYS 9 1HD LYS 9 -7.277 -0.108 -5.178 70 HE2 LYS 9 2HE LYS 9 -9.591 0.488 -4.663 71 HE3 LYS 9 1HE LYS 9 -9.473 -0.416 -6.166 72 HZ1 LYS 9 1HZ LYS 9 -10.220 -1.627 -3.562 73 HZ2 LYS 9 2HZ LYS 9 -10.281 -2.369 -5.069 74 HZ3 LYS 9 3HZ LYS 9 -11.323 -1.108 -4.713 75 H CYS 10 HN CYS 10 -3.909 -4.493 -2.570 76 HA CYS 10 HA CYS 10 -1.642 -2.852 -3.176 77 HB2 CYS 10 2HB CYS 10 -1.739 -4.046 -1.012 78 HB3 CYS 10 1HB CYS 10 -1.722 -5.584 -1.870 79 H LYS 11 HN LYS 11 -1.499 -2.809 -5.290 80 HA LYS 11 HA LYS 11 -0.801 -5.306 -6.682 81 HB2 LYS 11 2HB LYS 11 -2.998 -4.438 -7.364 82 HB3 LYS 11 1HB LYS 11 -2.286 -2.875 -7.695 83 HG2 LYS 11 2HG LYS 11 -1.001 -3.833 -9.528 84 HG3 LYS 11 1HG LYS 11 -1.685 -5.426 -9.175 85 HD2 LYS 11 2HD LYS 11 -3.925 -4.588 -9.634 86 HD3 LYS 11 1HD LYS 11 -3.283 -2.975 -9.923 87 HE2 LYS 11 2HE LYS 11 -3.741 -4.127 -12.022 88 HE3 LYS 11 1HE LYS 11 -2.023 -3.803 -11.825 89 HZ1 LYS 11 1HZ LYS 11 -2.413 -6.031 -12.666 90 HZ2 LYS 11 2HZ LYS 11 -3.358 -6.411 -11.326 91 HZ3 LYS 11 3HZ LYS 11 -1.719 -6.109 -11.137 92 H ASP 12 HN ASP 12 -0.438 -1.798 -6.534 93 HA ASP 12 HA ASP 12 1.844 -1.851 -8.239 94 HB2 ASP 12 2HB ASP 12 0.300 0.026 -8.337 95 HB3 ASP 12 1HB ASP 12 0.610 0.388 -6.644 96 H ARG 13 HN ARG 13 3.919 -1.365 -7.691 97 HA ARG 13 HA ARG 13 5.002 -2.634 -5.490 98 HB2 ARG 13 2HB ARG 13 6.189 -0.499 -7.204 99 HB3 ARG 13 1HB ARG 13 7.102 -1.419 -6.022 100 HG2 ARG 13 2HG ARG 13 6.532 -3.477 -7.266 101 HG3 ARG 13 1HG ARG 13 5.734 -2.469 -8.482 102 HD2 ARG 13 2HD ARG 13 8.039 -3.016 -9.126 103 HD3 ARG 13 1HD ARG 13 7.803 -1.281 -8.894 104 HE ARG 13 HE ARG 13 8.762 -2.774 -6.611 105 HH11 ARG 13 1HH1 ARG 13 9.635 -0.673 -9.322 106 HH12 ARG 13 2HH1 ARG 13 11.142 -0.222 -8.661 107 HH21 ARG 13 1HH2 ARG 13 10.824 -2.118 -5.711 108 HH22 ARG 13 2HH2 ARG 13 11.809 -1.042 -6.569 109 H ARG 14 HN ARG 14 4.023 0.757 -5.731 110 HA ARG 14 HA ARG 14 5.493 1.748 -3.566 111 HB2 ARG 14 2HB ARG 14 2.828 2.599 -4.643 112 HB3 ARG 14 1HB ARG 14 3.782 3.524 -3.493 113 HG2 ARG 14 2HG ARG 14 5.500 3.877 -5.072 114 HG3 ARG 14 1HG ARG 14 4.786 2.717 -6.201 115 HD2 ARG 14 2HD ARG 14 2.805 4.165 -6.368 116 HD3 ARG 14 1HD ARG 14 3.599 5.338 -5.321 117 HE ARG 14 HE ARG 14 5.154 5.758 -6.998 118 HH11 ARG 14 1HH1 ARG 14 2.882 3.306 -8.123 119 HH12 ARG 14 2HH1 ARG 14 2.837 3.870 -9.734 120 HH21 ARG 14 1HH2 ARG 14 5.109 6.536 -9.264 121 HH22 ARG 14 2HH2 ARG 14 4.084 5.750 -10.377 122 H CYS 15 HN CYS 15 2.814 -0.393 -3.549 123 HA CYS 15 HA CYS 15 2.103 0.357 -0.843 124 HB2 CYS 15 2HB CYS 15 0.909 -1.780 -2.610 125 HB3 CYS 15 1HB CYS 15 0.225 -1.147 -1.114 126 H LYS 16 HN LYS 16 4.417 -1.547 -2.240 127 HA LYS 16 HA LYS 16 4.153 -3.821 -0.500 128 HB2 LYS 16 2HB LYS 16 6.166 -3.137 -2.618 129 HB3 LYS 16 1HB LYS 16 6.401 -4.497 -1.533 130 HG2 LYS 16 2HG LYS 16 4.023 -4.136 -3.350 131 HG3 LYS 16 1HG LYS 16 5.427 -5.149 -3.704 132 HD2 LYS 16 2HD LYS 16 4.955 -6.459 -1.651 133 HD3 LYS 16 1HD LYS 16 3.511 -5.488 -1.386 134 HE2 LYS 16 2HE LYS 16 2.936 -7.601 -2.420 135 HE3 LYS 16 1HE LYS 16 2.597 -6.265 -3.515 136 HZ1 LYS 16 1HZ LYS 16 4.601 -6.770 -4.736 137 HZ2 LYS 16 2HZ LYS 16 3.677 -8.172 -4.604 138 HZ3 LYS 16 3HZ LYS 16 5.032 -7.965 -3.629 139 HA HYP 17 HA HYP 17 7.936 -1.733 1.758 140 HB2 HYP 17 1HB HYP 17 8.609 0.253 0.673 141 HB3 HYP 17 2HB HYP 17 7.663 0.976 1.989 142 HG HYP 17 HG HYP 17 5.713 1.046 0.677 143 HD22 HYP 17 1HD1 HYP 17 7.326 -0.637 -1.272 144 HD23 HYP 17 2HD1 HYP 17 5.563 -0.372 -1.291 145 HD1 HYP 17 2HD HYP 17 6.574 1.531 -1.481 146 H LEU 18 HN LEU 18 4.655 -1.090 1.587 147 HA LEU 18 HA LEU 18 4.356 0.093 4.207 148 HB2 LEU 18 2HB LEU 18 2.251 -0.757 2.239 149 HB3 LEU 18 1HB LEU 18 2.030 0.292 3.620 150 HG LEU 18 HG LEU 18 3.587 0.950 1.108 151 HD11 LEU 18 1HD1 LEU 18 1.825 2.556 0.723 152 HD12 LEU 18 2HD1 LEU 18 1.032 2.063 2.217 153 HD13 LEU 18 3HD1 LEU 18 1.147 0.930 0.876 154 HD21 LEU 18 1HD2 LEU 18 4.633 1.993 3.062 155 HD22 LEU 18 2HD2 LEU 18 3.072 2.636 3.566 156 HD23 LEU 18 3HD2 LEU 18 3.814 3.197 2.069 157 H LYS 19 HN LYS 19 3.848 -1.009 5.954 158 HA LYS 19 HA LYS 19 3.925 -3.832 6.108 159 HB2 LYS 19 2HB LYS 19 2.926 -1.790 8.095 160 HB3 LYS 19 1HB LYS 19 3.187 -3.488 8.457 161 HG2 LYS 19 2HG LYS 19 5.549 -3.253 8.025 162 HG3 LYS 19 1HG LYS 19 5.317 -1.569 7.553 163 HD2 LYS 19 2HD LYS 19 4.575 -1.007 9.788 164 HD3 LYS 19 1HD LYS 19 4.670 -2.699 10.276 165 HE2 LYS 19 2HE LYS 19 7.003 -1.046 9.331 166 HE3 LYS 19 1HE LYS 19 6.599 -1.324 11.021 167 HZ1 LYS 19 1HZ LYS 19 8.305 -2.836 10.253 168 HZ2 LYS 19 2HZ LYS 19 7.286 -3.440 9.051 169 HZ3 LYS 19 3HZ LYS 19 6.911 -3.674 10.680 170 H CYS 20 HN CYS 20 1.423 -1.611 5.549 171 HA CYS 20 HA CYS 20 -0.827 -3.124 6.301 172 HB2 CYS 20 2HB CYS 20 -0.770 -0.657 5.840 173 HB3 CYS 20 1HB CYS 20 -0.649 -1.032 4.128 174 H CYS 21 HN CYS 21 1.378 -3.522 3.746 175 HA CYS 21 HA CYS 21 -0.400 -5.491 2.501 176 HB2 CYS 21 2HB CYS 21 0.061 -3.666 0.886 177 HB3 CYS 21 1HB CYS 21 1.778 -3.870 1.168 178 H ALA 22 HN ALA 22 3.022 -4.581 3.039 179 HA ALA 22 HA ALA 22 3.584 -7.373 3.591 180 HB1 ALA 22 2HB ALA 22 5.238 -5.555 1.836 181 HB2 ALA 22 3HB ALA 22 4.273 -6.924 1.283 182 HB3 ALA 22 1HB ALA 22 5.665 -7.193 2.332 183 HN1 NH2 23 2H ALA 22 4.864 -5.945 6.480 184 HN2 NH2 23 1H ALA 22 3.748 -7.019 5.719 Start of MODEL 7 1 H1 ARG 1 1HT ARG 1 -0.200 8.885 -2.531 2 H2 ARG 1 2HT ARG 1 -1.073 9.709 -1.363 3 H3 ARG 1 3HT ARG 1 -1.323 10.057 -2.989 4 HA ARG 1 HA ARG 1 -3.101 8.646 -2.075 5 HB2 ARG 1 2HB ARG 1 -2.354 8.324 -4.462 6 HB3 ARG 1 1HB ARG 1 -1.246 7.083 -3.902 7 HG2 ARG 1 2HG ARG 1 -3.208 5.805 -3.048 8 HG3 ARG 1 1HG ARG 1 -4.247 7.005 -3.818 9 HD2 ARG 1 2HD ARG 1 -2.223 5.257 -5.207 10 HD3 ARG 1 1HD ARG 1 -3.969 5.032 -5.231 11 HE ARG 1 HE ARG 1 -3.252 7.613 -6.160 12 HH11 ARG 1 1HH1 ARG 1 -3.363 4.244 -7.200 13 HH12 ARG 1 2HH1 ARG 1 -3.473 4.599 -8.857 14 HH21 ARG 1 1HH2 ARG 1 -3.400 8.117 -8.405 15 HH22 ARG 1 2HH2 ARG 1 -3.494 6.879 -9.569 16 H ASP 2 HN ASP 2 -3.528 7.269 -0.404 17 HA ASP 2 HA ASP 2 -1.253 5.858 0.730 18 HB2 ASP 2 2HB ASP 2 -2.624 7.163 2.281 19 HB3 ASP 2 1HB ASP 2 -4.039 6.201 1.851 20 H CYS 3 HN CYS 3 -0.943 3.763 0.552 21 HA CYS 3 HA CYS 3 -2.813 2.222 -1.065 22 HB2 CYS 3 2HB CYS 3 -0.080 1.514 -0.030 23 HB3 CYS 3 1HB CYS 3 -1.025 0.607 -1.214 24 H CYS 4 HN CYS 4 -2.601 2.730 2.208 25 HA CYS 4 HA CYS 4 -2.989 -0.102 2.867 26 HB2 CYS 4 2HB CYS 4 -2.305 2.222 4.671 27 HB3 CYS 4 1HB CYS 4 -2.380 0.517 5.117 28 H THR 5 HN THR 5 -4.722 2.574 2.182 29 HA THR 5 HA THR 5 -6.624 2.417 4.272 30 HB THR 5 HB THR 5 -7.099 3.620 1.548 31 HG1 THR 5 1HG THR 5 -5.125 4.309 3.154 32 HG21 THR 5 1HG2 THR 5 -8.653 5.046 2.791 33 HG22 THR 5 2HG2 THR 5 -8.140 4.260 4.295 34 HG23 THR 5 3HG2 THR 5 -9.004 3.331 3.085 35 HA HYP 6 HA HYP 6 -8.493 -1.234 2.443 36 HB2 HYP 6 1HB HYP 6 -9.342 -2.234 4.333 37 HB3 HYP 6 2HB HYP 6 -10.556 -0.960 4.529 38 HG HYP 6 HG HYP 6 -9.012 -0.604 6.370 39 HD22 HYP 6 1HD1 HYP 6 -7.714 1.379 5.368 40 HD23 HYP 6 2HD1 HYP 6 -9.465 1.400 5.001 41 HD1 HYP 6 2HD HYP 6 -6.816 -0.278 4.961 42 HA HYP 7 HA HYP 7 -9.824 -2.733 1.605 43 HB2 HYP 7 1HB HYP 7 -11.437 -3.680 0.287 44 HB3 HYP 7 2HB HYP 7 -10.680 -2.915 -1.114 45 HG HYP 7 HG HYP 7 -12.709 -1.773 -1.185 46 HD22 HYP 7 1HD1 HYP 7 -12.437 0.201 0.611 47 HD23 HYP 7 2HD1 HYP 7 -11.200 0.042 -0.664 48 HD1 HYP 7 2HD HYP 7 -14.064 -1.811 0.317 49 H LYS 8 HN LYS 8 -7.768 -2.672 1.444 50 HA LYS 8 HA LYS 8 -6.488 -0.912 -0.403 51 HB2 LYS 8 2HB LYS 8 -4.407 -1.842 0.805 52 HB3 LYS 8 1HB LYS 8 -5.497 -0.756 1.658 53 HG2 LYS 8 2HG LYS 8 -6.526 -2.530 2.760 54 HG3 LYS 8 1HG LYS 8 -5.609 -3.741 1.836 55 HD2 LYS 8 2HD LYS 8 -3.563 -2.850 2.900 56 HD3 LYS 8 1HD LYS 8 -4.539 -1.660 3.760 57 HE2 LYS 8 2HE LYS 8 -4.745 -4.656 4.071 58 HE3 LYS 8 1HE LYS 8 -3.899 -3.576 5.173 59 HZ1 LYS 8 1HZ LYS 8 -6.099 -2.441 5.517 60 HZ2 LYS 8 2HZ LYS 8 -5.992 -3.991 6.109 61 HZ3 LYS 8 3HZ LYS 8 -6.828 -3.712 4.669 62 H LYS 9 HN LYS 9 -5.318 -1.389 -2.047 63 HA LYS 9 HA LYS 9 -4.999 -4.195 -2.828 64 HB2 LYS 9 2HB LYS 9 -5.588 -1.807 -4.592 65 HB3 LYS 9 1HB LYS 9 -5.181 -3.405 -5.179 66 HG2 LYS 9 2HG LYS 9 -7.240 -4.286 -4.195 67 HG3 LYS 9 1HG LYS 9 -7.644 -2.669 -3.604 68 HD2 LYS 9 2HD LYS 9 -7.711 -1.823 -5.882 69 HD3 LYS 9 1HD LYS 9 -7.212 -3.392 -6.504 70 HE2 LYS 9 2HE LYS 9 -9.603 -3.089 -6.802 71 HE3 LYS 9 1HE LYS 9 -9.296 -4.377 -5.643 72 HZ1 LYS 9 1HZ LYS 9 -9.982 -1.586 -4.921 73 HZ2 LYS 9 2HZ LYS 9 -9.867 -2.894 -3.851 74 HZ3 LYS 9 3HZ LYS 9 -11.084 -2.836 -5.011 75 H CYS 10 HN CYS 10 -2.908 -4.636 -2.912 76 HA CYS 10 HA CYS 10 -0.970 -2.507 -3.204 77 HB2 CYS 10 2HB CYS 10 -0.493 -5.496 -2.998 78 HB3 CYS 10 1HB CYS 10 0.712 -4.228 -2.832 79 H LYS 11 HN LYS 11 -1.469 -1.847 -5.332 80 HA LYS 11 HA LYS 11 -0.995 -3.815 -7.436 81 HB2 LYS 11 2HB LYS 11 -3.014 -2.389 -7.610 82 HB3 LYS 11 1HB LYS 11 -1.988 -0.965 -7.642 83 HG2 LYS 11 2HG LYS 11 -2.721 -1.468 -9.874 84 HG3 LYS 11 1HG LYS 11 -0.988 -1.768 -9.751 85 HD2 LYS 11 2HD LYS 11 -1.427 -4.170 -9.493 86 HD3 LYS 11 1HD LYS 11 -3.159 -3.859 -9.605 87 HE2 LYS 11 2HE LYS 11 -1.125 -3.288 -11.762 88 HE3 LYS 11 1HE LYS 11 -2.230 -4.659 -11.732 89 HZ1 LYS 11 1HZ LYS 11 -3.060 -2.900 -13.143 90 HZ2 LYS 11 2HZ LYS 11 -3.015 -1.796 -11.888 91 HZ3 LYS 11 3HZ LYS 11 -4.084 -3.091 -11.826 92 H ASP 12 HN ASP 12 -0.022 -0.517 -6.536 93 HA ASP 12 HA ASP 12 2.228 -0.728 -8.332 94 HB2 ASP 12 2HB ASP 12 1.004 1.460 -7.987 95 HB3 ASP 12 1HB ASP 12 1.680 1.511 -6.362 96 H ARG 13 HN ARG 13 4.337 -0.690 -7.713 97 HA ARG 13 HA ARG 13 4.938 -2.443 -5.592 98 HB2 ARG 13 2HB ARG 13 6.668 -0.861 -7.472 99 HB3 ARG 13 1HB ARG 13 7.332 -1.866 -6.197 100 HG2 ARG 13 2HG ARG 13 7.364 -3.019 -8.354 101 HG3 ARG 13 1HG ARG 13 6.323 -3.846 -7.205 102 HD2 ARG 13 2HD ARG 13 5.352 -3.758 -9.459 103 HD3 ARG 13 1HD ARG 13 4.364 -2.911 -8.276 104 HE ARG 13 HE ARG 13 6.229 -1.240 -9.711 105 HH11 ARG 13 1HH1 ARG 13 2.946 -2.598 -9.722 106 HH12 ARG 13 2HH1 ARG 13 2.276 -1.371 -10.676 107 HH21 ARG 13 1HH2 ARG 13 5.333 0.448 -11.002 108 HH22 ARG 13 2HH2 ARG 13 3.685 0.453 -11.431 109 H ARG 14 HN ARG 14 4.786 0.988 -5.802 110 HA ARG 14 HA ARG 14 6.491 1.622 -3.631 111 HB2 ARG 14 2HB ARG 14 5.419 3.800 -3.624 112 HB3 ARG 14 1HB ARG 14 5.703 3.297 -5.283 113 HG2 ARG 14 2HG ARG 14 3.324 2.537 -5.360 114 HG3 ARG 14 1HG ARG 14 3.094 3.305 -3.789 115 HD2 ARG 14 2HD ARG 14 3.786 5.448 -4.754 116 HD3 ARG 14 1HD ARG 14 4.026 4.644 -6.305 117 HE ARG 14 HE ARG 14 1.423 4.175 -5.386 118 HH11 ARG 14 1HH1 ARG 14 3.380 6.758 -6.790 119 HH12 ARG 14 2HH1 ARG 14 2.054 7.580 -7.474 120 HH21 ARG 14 1HH2 ARG 14 -0.361 5.250 -6.354 121 HH22 ARG 14 2HH2 ARG 14 -0.118 6.702 -7.244 122 H CYS 15 HN CYS 15 3.422 0.172 -3.782 123 HA CYS 15 HA CYS 15 2.611 0.956 -1.128 124 HB2 CYS 15 2HB CYS 15 1.417 -1.076 -3.007 125 HB3 CYS 15 1HB CYS 15 0.650 -0.369 -1.592 126 H LYS 16 HN LYS 16 4.750 -1.248 -2.404 127 HA LYS 16 HA LYS 16 3.905 -3.557 -0.909 128 HB2 LYS 16 2HB LYS 16 4.893 -3.859 -3.133 129 HB3 LYS 16 1HB LYS 16 6.409 -3.174 -2.569 130 HG2 LYS 16 2HG LYS 16 6.612 -5.059 -0.966 131 HG3 LYS 16 1HG LYS 16 5.152 -5.759 -1.657 132 HD2 LYS 16 2HD LYS 16 7.724 -5.211 -3.149 133 HD3 LYS 16 1HD LYS 16 7.189 -6.787 -2.576 134 HE2 LYS 16 2HE LYS 16 5.194 -6.589 -4.036 135 HE3 LYS 16 1HE LYS 16 5.827 -5.061 -4.647 136 HZ1 LYS 16 1HZ LYS 16 7.123 -7.710 -4.887 137 HZ2 LYS 16 2HZ LYS 16 7.791 -6.265 -5.422 138 HZ3 LYS 16 3HZ LYS 16 6.377 -6.852 -6.138 139 HA HYP 17 HA HYP 17 7.929 -2.392 1.712 140 HB2 HYP 17 1HB HYP 17 9.050 -0.549 0.822 141 HB3 HYP 17 2HB HYP 17 8.150 0.330 2.074 142 HG HYP 17 HG HYP 17 6.386 0.823 0.589 143 HD22 HYP 17 1HD1 HYP 17 7.768 -1.152 -1.255 144 HD23 HYP 17 2HD1 HYP 17 6.110 -0.515 -1.407 145 HD1 HYP 17 2HD HYP 17 7.212 1.495 -1.245 146 H LEU 18 HN LEU 18 4.850 -0.980 1.492 147 HA LEU 18 HA LEU 18 4.652 -0.042 4.198 148 HB2 LEU 18 2HB LEU 18 2.524 -0.435 2.112 149 HB3 LEU 18 1HB LEU 18 2.359 0.467 3.600 150 HG LEU 18 HG LEU 18 4.145 1.238 1.281 151 HD11 LEU 18 1HD1 LEU 18 1.500 2.313 2.230 152 HD12 LEU 18 2HD1 LEU 18 1.797 1.412 0.742 153 HD13 LEU 18 3HD1 LEU 18 2.504 3.016 0.965 154 HD21 LEU 18 1HD2 LEU 18 4.360 3.352 2.455 155 HD22 LEU 18 2HD2 LEU 18 4.983 2.030 3.454 156 HD23 LEU 18 3HD2 LEU 18 3.388 2.726 3.784 157 H LYS 19 HN LYS 19 4.473 -1.543 5.758 158 HA LYS 19 HA LYS 19 3.590 -4.194 5.263 159 HB2 LYS 19 2HB LYS 19 3.758 -4.520 7.684 160 HB3 LYS 19 1HB LYS 19 5.196 -3.743 7.045 161 HG2 LYS 19 2HG LYS 19 4.334 -1.573 7.873 162 HG3 LYS 19 1HG LYS 19 2.956 -2.425 8.568 163 HD2 LYS 19 2HD LYS 19 5.859 -2.890 9.282 164 HD3 LYS 19 1HD LYS 19 4.693 -1.985 10.247 165 HE2 LYS 19 2HE LYS 19 3.334 -4.027 10.491 166 HE3 LYS 19 1HE LYS 19 4.521 -4.909 9.532 167 HZ1 LYS 19 1HZ LYS 19 5.091 -3.597 12.127 168 HZ2 LYS 19 2HZ LYS 19 6.162 -4.550 11.227 169 HZ3 LYS 19 3HZ LYS 19 4.784 -5.239 11.909 170 H CYS 20 HN CYS 20 1.980 -1.302 5.862 171 HA CYS 20 HA CYS 20 -0.380 -2.493 6.944 172 HB2 CYS 20 2HB CYS 20 -1.334 -0.177 6.642 173 HB3 CYS 20 1HB CYS 20 0.058 -0.300 7.693 174 H CYS 21 HN CYS 21 0.915 -2.373 3.826 175 HA CYS 21 HA CYS 21 -1.569 -1.994 2.406 176 HB2 CYS 21 2HB CYS 21 0.811 -1.562 1.410 177 HB3 CYS 21 1HB CYS 21 0.944 -3.299 1.351 178 H ALA 22 HN ALA 22 0.354 -4.621 3.607 179 HA ALA 22 HA ALA 22 -1.570 -6.552 2.571 180 HB1 ALA 22 2HB ALA 22 0.131 -8.246 3.147 181 HB2 ALA 22 3HB ALA 22 1.168 -6.964 3.776 182 HB3 ALA 22 1HB ALA 22 0.778 -7.013 2.061 183 HN1 NH2 23 2H ALA 22 -0.885 -6.893 6.572 184 HN2 NH2 23 1H ALA 22 0.423 -6.754 5.453 Start of MODEL 8 1 H1 ARG 1 1HT ARG 1 -4.336 11.512 -0.475 2 H2 ARG 1 2HT ARG 1 -2.830 10.772 -0.806 3 H3 ARG 1 3HT ARG 1 -3.315 11.046 0.770 4 HA ARG 1 HA ARG 1 -5.047 9.526 0.672 5 HB2 ARG 1 2HB ARG 1 -5.341 8.066 -1.252 6 HB3 ARG 1 1HB ARG 1 -5.634 9.740 -1.732 7 HG2 ARG 1 2HG ARG 1 -3.374 9.792 -2.712 8 HG3 ARG 1 1HG ARG 1 -3.147 8.106 -2.246 9 HD2 ARG 1 2HD ARG 1 -5.141 7.550 -3.643 10 HD3 ARG 1 1HD ARG 1 -5.150 9.226 -4.193 11 HE ARG 1 HE ARG 1 -2.664 7.780 -4.530 12 HH11 ARG 1 1HH1 ARG 1 -5.614 9.011 -6.072 13 HH12 ARG 1 2HH1 ARG 1 -5.068 8.718 -7.653 14 HH21 ARG 1 1HH2 ARG 1 -1.941 7.322 -6.743 15 HH22 ARG 1 2HH2 ARG 1 -2.968 7.708 -8.029 16 H ASP 2 HN ASP 2 -4.593 7.466 1.358 17 HA ASP 2 HA ASP 2 -1.771 6.703 1.235 18 HB2 ASP 2 2HB ASP 2 -3.897 6.051 3.295 19 HB3 ASP 2 1HB ASP 2 -2.337 5.249 3.229 20 H CYS 3 HN CYS 3 -1.295 4.679 0.599 21 HA CYS 3 HA CYS 3 -3.240 3.332 -1.010 22 HB2 CYS 3 2HB CYS 3 -0.858 3.381 -1.653 23 HB3 CYS 3 1HB CYS 3 -0.449 2.466 -0.206 24 H CYS 4 HN CYS 4 -2.376 3.242 2.251 25 HA CYS 4 HA CYS 4 -3.043 0.535 2.837 26 HB2 CYS 4 2HB CYS 4 -2.769 2.934 4.648 27 HB3 CYS 4 1HB CYS 4 -2.861 1.258 5.179 28 H THR 5 HN THR 5 -4.863 3.362 2.209 29 HA THR 5 HA THR 5 -7.027 2.925 3.909 30 HB THR 5 HB THR 5 -7.007 4.293 1.206 31 HG1 THR 5 1HG THR 5 -6.193 5.067 3.805 32 HG21 THR 5 1HG2 THR 5 -8.702 4.686 3.676 33 HG22 THR 5 2HG2 THR 5 -9.219 3.860 2.218 34 HG23 THR 5 3HG2 THR 5 -8.860 5.597 2.165 35 HA HYP 6 HA HYP 6 -8.311 -0.748 1.685 36 HB2 HYP 6 1HB HYP 6 -9.262 -1.855 3.438 37 HB3 HYP 6 2HB HYP 6 -10.690 -0.810 3.360 38 HG HYP 6 HG HYP 6 -9.676 -0.184 5.469 39 HD22 HYP 6 1HD1 HYP 6 -8.405 1.934 4.720 40 HD23 HYP 6 2HD1 HYP 6 -10.005 1.737 3.947 41 HD1 HYP 6 2HD HYP 6 -7.272 0.237 4.323 42 HA HYP 7 HA HYP 7 -9.327 -2.244 0.488 43 HB2 HYP 7 1HB HYP 7 -10.524 -3.127 -1.235 44 HB3 HYP 7 2HB HYP 7 -9.560 -2.164 -2.359 45 HG HYP 7 HG HYP 7 -11.624 -1.145 -2.747 46 HD22 HYP 7 1HD1 HYP 7 -11.878 0.642 -0.768 47 HD23 HYP 7 2HD1 HYP 7 -10.382 0.669 -1.735 48 HD1 HYP 7 2HD HYP 7 -12.746 -0.987 -0.404 49 H LYS 8 HN LYS 8 -7.234 -2.543 0.342 50 HA LYS 8 HA LYS 8 -5.502 -0.395 -0.192 51 HB2 LYS 8 2HB LYS 8 -4.808 -3.311 0.121 52 HB3 LYS 8 1HB LYS 8 -3.695 -1.957 0.276 53 HG2 LYS 8 2HG LYS 8 -5.137 -1.130 2.181 54 HG3 LYS 8 1HG LYS 8 -6.017 -2.633 2.023 55 HD2 LYS 8 2HD LYS 8 -3.051 -2.531 2.563 56 HD3 LYS 8 1HD LYS 8 -4.274 -2.699 3.817 57 HE2 LYS 8 2HE LYS 8 -3.850 -4.625 1.518 58 HE3 LYS 8 1HE LYS 8 -3.280 -4.860 3.164 59 HZ1 LYS 8 1HZ LYS 8 -5.326 -6.057 2.765 60 HZ2 LYS 8 2HZ LYS 8 -6.137 -4.651 2.354 61 HZ3 LYS 8 3HZ LYS 8 -5.566 -4.867 3.924 62 H LYS 9 HN LYS 9 -3.993 -0.081 -1.768 63 HA LYS 9 HA LYS 9 -4.835 -1.034 -4.405 64 HB2 LYS 9 2HB LYS 9 -2.840 1.123 -3.726 65 HB3 LYS 9 1HB LYS 9 -3.687 0.881 -5.245 66 HG2 LYS 9 2HG LYS 9 -5.777 1.536 -4.222 67 HG3 LYS 9 1HG LYS 9 -4.982 1.684 -2.652 68 HD2 LYS 9 2HD LYS 9 -3.506 3.425 -3.603 69 HD3 LYS 9 1HD LYS 9 -4.392 3.313 -5.122 70 HE2 LYS 9 2HE LYS 9 -5.511 4.140 -2.443 71 HE3 LYS 9 1HE LYS 9 -5.178 5.200 -3.807 72 HZ1 LYS 9 1HZ LYS 9 -7.506 4.698 -3.782 73 HZ2 LYS 9 2HZ LYS 9 -7.227 3.074 -3.633 74 HZ3 LYS 9 3HZ LYS 9 -6.836 3.853 -5.081 75 H CYS 10 HN CYS 10 -3.437 -2.912 -2.869 76 HA CYS 10 HA CYS 10 -0.627 -2.945 -3.171 77 HB2 CYS 10 2HB CYS 10 -2.546 -5.202 -2.627 78 HB3 CYS 10 1HB CYS 10 -0.797 -5.321 -2.498 79 H LYS 11 HN LYS 11 -2.233 -2.736 -5.742 80 HA LYS 11 HA LYS 11 -1.341 -5.051 -7.245 81 HB2 LYS 11 2HB LYS 11 -2.751 -2.510 -8.072 82 HB3 LYS 11 1HB LYS 11 -2.294 -3.781 -9.197 83 HG2 LYS 11 2HG LYS 11 -4.138 -4.160 -6.855 84 HG3 LYS 11 1HG LYS 11 -4.677 -3.825 -8.501 85 HD2 LYS 11 2HD LYS 11 -3.595 -5.877 -9.275 86 HD3 LYS 11 1HD LYS 11 -3.034 -6.213 -7.637 87 HE2 LYS 11 2HE LYS 11 -5.340 -6.377 -6.867 88 HE3 LYS 11 1HE LYS 11 -5.912 -5.969 -8.481 89 HZ1 LYS 11 1HZ LYS 11 -4.940 -7.981 -9.319 90 HZ2 LYS 11 2HZ LYS 11 -5.999 -8.353 -8.080 91 HZ3 LYS 11 3HZ LYS 11 -4.333 -8.400 -7.808 92 H ASP 12 HN ASP 12 -0.237 -1.980 -6.321 93 HA ASP 12 HA ASP 12 1.823 -1.978 -8.408 94 HB2 ASP 12 2HB ASP 12 0.456 0.098 -8.113 95 HB3 ASP 12 1HB ASP 12 1.089 0.220 -6.474 96 H ARG 13 HN ARG 13 3.930 -2.039 -7.857 97 HA ARG 13 HA ARG 13 4.760 -3.465 -5.623 98 HB2 ARG 13 2HB ARG 13 7.021 -2.856 -6.229 99 HB3 ARG 13 1HB ARG 13 6.094 -3.394 -7.631 100 HG2 ARG 13 2HG ARG 13 5.770 -1.024 -8.280 101 HG3 ARG 13 1HG ARG 13 6.725 -0.535 -6.890 102 HD2 ARG 13 2HD ARG 13 7.742 -2.305 -9.092 103 HD3 ARG 13 1HD ARG 13 7.966 -0.558 -9.049 104 HE ARG 13 HE ARG 13 8.883 -1.684 -6.653 105 HH11 ARG 13 1HH1 ARG 13 9.709 -1.731 -10.071 106 HH12 ARG 13 2HH1 ARG 13 11.400 -1.715 -9.842 107 HH21 ARG 13 1HH2 ARG 13 11.251 -1.759 -6.296 108 HH22 ARG 13 2HH2 ARG 13 12.292 -1.752 -7.635 109 H ARG 14 HN ARG 14 4.375 -0.010 -5.988 110 HA ARG 14 HA ARG 14 6.090 0.737 -3.866 111 HB2 ARG 14 2HB ARG 14 3.837 2.153 -5.251 112 HB3 ARG 14 1HB ARG 14 4.771 2.897 -3.960 113 HG2 ARG 14 2HG ARG 14 6.754 2.856 -5.229 114 HG3 ARG 14 1HG ARG 14 6.056 1.750 -6.414 115 HD2 ARG 14 2HD ARG 14 5.043 4.533 -5.915 116 HD3 ARG 14 1HD ARG 14 6.215 4.124 -7.171 117 HE ARG 14 HE ARG 14 4.070 2.408 -7.464 118 HH11 ARG 14 1HH1 ARG 14 4.458 5.935 -7.578 119 HH12 ARG 14 2HH1 ARG 14 3.415 6.159 -8.884 120 HH21 ARG 14 1HH2 ARG 14 2.626 2.697 -9.236 121 HH22 ARG 14 2HH2 ARG 14 2.307 4.256 -9.863 122 H CYS 15 HN CYS 15 3.033 -0.705 -3.862 123 HA CYS 15 HA CYS 15 2.450 0.305 -1.213 124 HB2 CYS 15 2HB CYS 15 0.881 -1.415 -3.104 125 HB3 CYS 15 1HB CYS 15 0.331 -0.982 -1.485 126 H LYS 16 HN LYS 16 4.299 -2.141 -2.452 127 HA LYS 16 HA LYS 16 3.440 -4.138 -0.553 128 HB2 LYS 16 2HB LYS 16 4.223 -4.905 -2.749 129 HB3 LYS 16 1HB LYS 16 5.811 -4.217 -2.439 130 HG2 LYS 16 2HG LYS 16 6.137 -5.761 -0.591 131 HG3 LYS 16 1HG LYS 16 4.537 -6.447 -0.861 132 HD2 LYS 16 2HD LYS 16 5.240 -7.214 -3.069 133 HD3 LYS 16 1HD LYS 16 6.820 -6.466 -2.820 134 HE2 LYS 16 2HE LYS 16 5.666 -8.671 -1.119 135 HE3 LYS 16 1HE LYS 16 6.853 -8.899 -2.403 136 HZ1 LYS 16 1HZ LYS 16 7.284 -7.236 0.031 137 HZ2 LYS 16 2HZ LYS 16 8.399 -7.540 -1.185 138 HZ3 LYS 16 3HZ LYS 16 7.888 -8.788 -0.207 139 HA HYP 17 HA HYP 17 7.665 -2.678 1.615 140 HB2 HYP 17 1HB HYP 17 8.718 -0.955 0.419 141 HB3 HYP 17 2HB HYP 17 7.825 0.092 1.541 142 HG HYP 17 HG HYP 17 5.998 0.271 0.066 143 HD22 HYP 17 1HD1 HYP 17 7.404 -1.956 -1.440 144 HD23 HYP 17 2HD1 HYP 17 5.738 -1.372 -1.700 145 HD1 HYP 17 2HD HYP 17 6.670 0.805 -1.779 146 H LEU 18 HN LEU 18 4.542 -1.342 1.340 147 HA LEU 18 HA LEU 18 4.463 0.037 3.839 148 HB2 LEU 18 2HB LEU 18 2.254 -0.771 1.958 149 HB3 LEU 18 1HB LEU 18 2.071 0.308 3.322 150 HG LEU 18 HG LEU 18 3.697 0.841 0.832 151 HD11 LEU 18 1HD1 LEU 18 1.149 2.080 1.850 152 HD12 LEU 18 2HD1 LEU 18 1.287 0.966 0.495 153 HD13 LEU 18 3HD1 LEU 18 2.031 2.564 0.401 154 HD21 LEU 18 1HD2 LEU 18 4.009 3.098 1.761 155 HD22 LEU 18 2HD2 LEU 18 4.764 1.867 2.768 156 HD23 LEU 18 3HD2 LEU 18 3.227 2.584 3.257 157 H LYS 19 HN LYS 19 4.114 -0.810 5.695 158 HA LYS 19 HA LYS 19 3.949 -3.581 6.134 159 HB2 LYS 19 2HB LYS 19 3.786 -3.007 8.496 160 HB3 LYS 19 1HB LYS 19 5.062 -2.101 7.697 161 HG2 LYS 19 2HG LYS 19 3.581 -0.150 7.601 162 HG3 LYS 19 1HG LYS 19 2.323 -1.069 8.428 163 HD2 LYS 19 2HD LYS 19 3.426 0.317 10.030 164 HD3 LYS 19 1HD LYS 19 3.908 -1.351 10.334 165 HE2 LYS 19 2HE LYS 19 6.022 -0.967 9.170 166 HE3 LYS 19 1HE LYS 19 5.531 0.685 8.801 167 HZ1 LYS 19 1HZ LYS 19 5.995 -0.448 11.502 168 HZ2 LYS 19 2HZ LYS 19 5.455 1.118 11.191 169 HZ3 LYS 19 3HZ LYS 19 6.987 0.650 10.697 170 H CYS 20 HN CYS 20 1.512 -1.248 5.649 171 HA CYS 20 HA CYS 20 -0.623 -2.549 6.994 172 HB2 CYS 20 2HB CYS 20 -2.057 -1.075 5.586 173 HB3 CYS 20 1HB CYS 20 -0.780 -0.195 6.425 174 H CYS 21 HN CYS 21 0.951 -2.973 3.940 175 HA CYS 21 HA CYS 21 -1.161 -4.756 3.006 176 HB2 CYS 21 2HB CYS 21 -0.222 -3.004 1.430 177 HB3 CYS 21 1HB CYS 21 1.325 -3.820 1.555 178 H ALA 22 HN ALA 22 2.309 -4.579 3.653 179 HA ALA 22 HA ALA 22 2.401 -7.489 3.692 180 HB1 ALA 22 2HB ALA 22 3.915 -6.445 2.095 181 HB2 ALA 22 3HB ALA 22 4.814 -7.231 3.394 182 HB3 ALA 22 1HB ALA 22 4.623 -5.479 3.392 183 HN1 NH2 23 2H ALA 22 2.571 -7.331 7.147 184 HN2 NH2 23 1H ALA 22 1.787 -7.915 5.716 Start of MODEL 9 1 H1 ARG 1 1HT ARG 1 -2.380 11.543 2.180 2 H2 ARG 1 2HT ARG 1 -2.409 12.452 0.749 3 H3 ARG 1 3HT ARG 1 -1.172 11.318 1.050 4 HA ARG 1 HA ARG 1 -3.980 10.569 0.855 5 HB2 ARG 1 2HB ARG 1 -3.456 9.619 -1.353 6 HB3 ARG 1 1HB ARG 1 -3.194 11.349 -1.357 7 HG2 ARG 1 2HG ARG 1 -0.798 11.016 -1.208 8 HG3 ARG 1 1HG ARG 1 -1.029 9.270 -1.109 9 HD2 ARG 1 2HD ARG 1 -2.089 9.314 -3.338 10 HD3 ARG 1 1HD ARG 1 -1.775 11.046 -3.434 11 HE ARG 1 HE ARG 1 0.623 9.816 -2.873 12 HH11 ARG 1 1HH1 ARG 1 -1.696 9.867 -5.567 13 HH12 ARG 1 2HH1 ARG 1 -0.553 9.476 -6.752 14 HH21 ARG 1 1HH2 ARG 1 2.205 9.258 -4.526 15 HH22 ARG 1 2HH2 ARG 1 1.716 9.124 -6.156 16 H ASP 2 HN ASP 2 -4.305 8.386 1.203 17 HA ASP 2 HA ASP 2 -1.962 7.058 2.351 18 HB2 ASP 2 2HB ASP 2 -3.444 7.721 4.097 19 HB3 ASP 2 1HB ASP 2 -4.832 7.036 3.257 20 H CYS 3 HN CYS 3 -1.400 5.285 1.461 21 HA CYS 3 HA CYS 3 -2.688 4.211 -0.818 22 HB2 CYS 3 2HB CYS 3 -0.262 4.149 -0.547 23 HB3 CYS 3 1HB CYS 3 -0.421 3.129 0.870 24 H CYS 4 HN CYS 4 -2.976 3.525 2.546 25 HA CYS 4 HA CYS 4 -3.920 0.823 2.166 26 HB2 CYS 4 2HB CYS 4 -3.758 2.511 4.651 27 HB3 CYS 4 1HB CYS 4 -4.017 0.766 4.578 28 H THR 5 HN THR 5 -5.279 3.792 1.813 29 HA THR 5 HA THR 5 -7.726 3.307 3.135 30 HB THR 5 HB THR 5 -7.116 5.327 0.953 31 HG1 THR 5 1HG THR 5 -5.927 5.220 3.170 32 HG21 THR 5 1HG2 THR 5 -9.517 4.954 1.330 33 HG22 THR 5 2HG2 THR 5 -9.038 6.550 1.931 34 HG23 THR 5 3HG2 THR 5 -9.285 5.203 3.055 35 HA HYP 6 HA HYP 6 -8.959 0.169 0.247 36 HB2 HYP 6 1HB HYP 6 -10.619 -0.829 1.452 37 HB3 HYP 6 2HB HYP 6 -11.705 0.547 1.204 38 HG HYP 6 HG HYP 6 -11.148 0.645 3.570 39 HD22 HYP 6 1HD1 HYP 6 -9.417 2.547 3.455 40 HD23 HYP 6 2HD1 HYP 6 -10.775 2.752 2.312 41 HD1 HYP 6 2HD HYP 6 -8.503 0.665 2.961 42 HA HYP 7 HA HYP 7 -9.835 -1.120 -1.220 43 HB2 HYP 7 1HB HYP 7 -10.732 -1.649 -3.243 44 HB3 HYP 7 2HB HYP 7 -9.148 -1.218 -3.894 45 HG HYP 7 HG HYP 7 -10.196 0.487 -4.997 46 HD22 HYP 7 1HD1 HYP 7 -11.267 2.173 -3.117 47 HD23 HYP 7 2HD1 HYP 7 -9.513 2.071 -3.378 48 HD1 HYP 7 2HD HYP 7 -12.394 0.652 -3.418 49 H LYS 8 HN LYS 8 -7.963 -1.567 -0.490 50 HA LYS 8 HA LYS 8 -5.657 -0.062 -1.404 51 HB2 LYS 8 2HB LYS 8 -4.537 -1.247 0.557 52 HB3 LYS 8 1HB LYS 8 -5.736 -0.020 0.943 53 HG2 LYS 8 2HG LYS 8 -7.342 -1.591 1.422 54 HG3 LYS 8 1HG LYS 8 -6.409 -2.933 0.795 55 HD2 LYS 8 2HD LYS 8 -4.739 -2.531 2.600 56 HD3 LYS 8 1HD LYS 8 -5.736 -1.210 3.202 57 HE2 LYS 8 2HE LYS 8 -7.568 -2.822 3.614 58 HE3 LYS 8 1HE LYS 8 -6.517 -4.126 3.067 59 HZ1 LYS 8 1HZ LYS 8 -6.067 -2.389 5.437 60 HZ2 LYS 8 2HZ LYS 8 -4.994 -3.557 4.900 61 HZ3 LYS 8 3HZ LYS 8 -6.526 -4.008 5.455 62 H LYS 9 HN LYS 9 -4.187 -0.957 -2.569 63 HA LYS 9 HA LYS 9 -4.535 -3.775 -3.224 64 HB2 LYS 9 2HB LYS 9 -3.358 -1.567 -4.922 65 HB3 LYS 9 1HB LYS 9 -3.412 -3.260 -5.387 66 HG2 LYS 9 2HG LYS 9 -5.805 -1.488 -4.875 67 HG3 LYS 9 1HG LYS 9 -5.209 -1.996 -6.456 68 HD2 LYS 9 2HD LYS 9 -5.672 -4.334 -5.887 69 HD3 LYS 9 1HD LYS 9 -6.225 -3.846 -4.288 70 HE2 LYS 9 2HE LYS 9 -8.032 -2.548 -5.334 71 HE3 LYS 9 1HE LYS 9 -7.480 -3.088 -6.918 72 HZ1 LYS 9 1HZ LYS 9 -8.413 -4.864 -4.743 73 HZ2 LYS 9 2HZ LYS 9 -7.923 -5.359 -6.268 74 HZ3 LYS 9 3HZ LYS 9 -9.329 -4.443 -6.098 75 H CYS 10 HN CYS 10 -3.280 -4.885 -2.045 76 HA CYS 10 HA CYS 10 -0.712 -3.970 -1.167 77 HB2 CYS 10 2HB CYS 10 -2.205 -6.551 -0.770 78 HB3 CYS 10 1HB CYS 10 -0.652 -6.216 -0.026 79 H LYS 11 HN LYS 11 -1.866 -5.588 -3.887 80 HA LYS 11 HA LYS 11 0.704 -6.868 -4.396 81 HB2 LYS 11 2HB LYS 11 -1.847 -6.934 -6.020 82 HB3 LYS 11 1HB LYS 11 -0.375 -7.816 -6.387 83 HG2 LYS 11 2HG LYS 11 -0.611 -9.082 -4.305 84 HG3 LYS 11 1HG LYS 11 -2.082 -8.188 -3.935 85 HD2 LYS 11 2HD LYS 11 -2.650 -10.354 -4.866 86 HD3 LYS 11 1HD LYS 11 -3.113 -9.080 -5.992 87 HE2 LYS 11 2HE LYS 11 -2.089 -10.926 -7.189 88 HE3 LYS 11 1HE LYS 11 -1.058 -9.509 -7.293 89 HZ1 LYS 11 1HZ LYS 11 0.299 -10.466 -5.484 90 HZ2 LYS 11 2HZ LYS 11 0.259 -11.426 -6.844 91 HZ3 LYS 11 3HZ LYS 11 -0.670 -11.849 -5.499 92 H ASP 12 HN ASP 12 -0.487 -3.895 -4.637 93 HA ASP 12 HA ASP 12 0.769 -3.336 -7.215 94 HB2 ASP 12 2HB ASP 12 -1.463 -2.285 -6.779 95 HB3 ASP 12 1HB ASP 12 -0.759 -1.435 -5.407 96 H ARG 13 HN ARG 13 2.518 -1.958 -7.322 97 HA ARG 13 HA ARG 13 4.396 -2.353 -5.327 98 HB2 ARG 13 2HB ARG 13 5.832 -0.768 -6.517 99 HB3 ARG 13 1HB ARG 13 5.101 -1.956 -7.584 100 HG2 ARG 13 2HG ARG 13 3.565 -0.336 -8.438 101 HG3 ARG 13 1HG ARG 13 4.061 0.836 -7.213 102 HD2 ARG 13 2HD ARG 13 5.832 -0.298 -9.369 103 HD3 ARG 13 1HD ARG 13 5.088 1.302 -9.395 104 HE ARG 13 HE ARG 13 6.368 1.425 -7.104 105 HH11 ARG 13 1HH1 ARG 13 7.559 0.219 -10.211 106 HH12 ARG 13 2HH1 ARG 13 9.186 0.614 -9.882 107 HH21 ARG 13 1HH2 ARG 13 8.567 1.942 -6.666 108 HH22 ARG 13 2HH2 ARG 13 9.772 1.634 -7.832 109 H ARG 14 HN ARG 14 2.083 0.233 -5.645 110 HA ARG 14 HA ARG 14 3.423 2.149 -4.088 111 HB2 ARG 14 2HB ARG 14 1.325 3.310 -3.929 112 HB3 ARG 14 1HB ARG 14 1.474 2.636 -5.542 113 HG2 ARG 14 2HG ARG 14 0.044 0.716 -4.704 114 HG3 ARG 14 1HG ARG 14 -0.287 1.720 -3.292 115 HD2 ARG 14 2HD ARG 14 -2.046 2.048 -4.858 116 HD3 ARG 14 1HD ARG 14 -1.053 3.514 -4.867 117 HE ARG 14 HE ARG 14 -0.167 1.622 -6.763 118 HH11 ARG 14 1HH1 ARG 14 -2.702 4.062 -6.310 119 HH12 ARG 14 2HH1 ARG 14 -2.923 4.341 -7.978 120 HH21 ARG 14 1HH2 ARG 14 -0.461 1.998 -9.010 121 HH22 ARG 14 2HH2 ARG 14 -1.608 3.116 -9.581 122 H CYS 15 HN CYS 15 1.694 -0.717 -3.111 123 HA CYS 15 HA CYS 15 2.146 0.084 -0.322 124 HB2 CYS 15 2HB CYS 15 -0.210 -1.258 -1.561 125 HB3 CYS 15 1HB CYS 15 0.318 -1.844 0.012 126 H LYS 16 HN LYS 16 3.799 -1.344 -2.357 127 HA LYS 16 HA LYS 16 3.843 -4.044 -1.308 128 HB2 LYS 16 2HB LYS 16 3.996 -3.726 -3.709 129 HB3 LYS 16 1HB LYS 16 5.439 -2.750 -3.510 130 HG2 LYS 16 2HG LYS 16 6.710 -4.645 -2.844 131 HG3 LYS 16 1HG LYS 16 5.260 -5.652 -2.754 132 HD2 LYS 16 2HD LYS 16 4.909 -5.414 -5.140 133 HD3 LYS 16 1HD LYS 16 6.290 -4.325 -5.256 134 HE2 LYS 16 2HE LYS 16 6.808 -6.616 -5.995 135 HE3 LYS 16 1HE LYS 16 7.788 -6.085 -4.633 136 HZ1 LYS 16 1HZ LYS 16 6.962 -8.372 -4.431 137 HZ2 LYS 16 2HZ LYS 16 5.377 -7.811 -4.371 138 HZ3 LYS 16 3HZ LYS 16 6.455 -7.413 -3.157 139 HA HYP 17 HA HYP 17 7.982 -2.517 0.561 140 HB2 HYP 17 1HB HYP 17 8.799 -0.635 -0.573 141 HB3 HYP 17 2HB HYP 17 8.295 0.169 0.922 142 HG HYP 17 HG HYP 17 6.202 0.762 0.011 143 HD22 HYP 17 1HD1 HYP 17 6.908 -1.093 -2.272 144 HD23 HYP 17 2HD1 HYP 17 5.295 -0.510 -1.799 145 HD1 HYP 17 2HD HYP 17 6.557 1.350 -2.107 146 H LEU 18 HN LEU 18 4.945 -1.140 1.087 147 HA LEU 18 HA LEU 18 5.385 -0.051 3.700 148 HB2 LEU 18 2HB LEU 18 2.809 -0.587 2.232 149 HB3 LEU 18 1HB LEU 18 2.963 0.338 3.706 150 HG LEU 18 HG LEU 18 4.063 1.117 0.992 151 HD11 LEU 18 1HD1 LEU 18 2.418 2.902 1.112 152 HD12 LEU 18 2HD1 LEU 18 1.859 2.302 2.671 153 HD13 LEU 18 3HD1 LEU 18 1.618 1.332 1.222 154 HD21 LEU 18 1HD2 LEU 18 4.145 2.579 3.626 155 HD22 LEU 18 2HD2 LEU 18 4.647 3.228 2.062 156 HD23 LEU 18 3HD2 LEU 18 5.527 1.876 2.780 157 H LYS 19 HN LYS 19 5.033 -0.952 5.606 158 HA LYS 19 HA LYS 19 4.711 -3.761 5.937 159 HB2 LYS 19 2HB LYS 19 4.574 -1.489 7.923 160 HB3 LYS 19 1HB LYS 19 4.586 -3.193 8.355 161 HG2 LYS 19 2HG LYS 19 6.807 -3.460 7.483 162 HG3 LYS 19 1HG LYS 19 6.791 -1.824 6.829 163 HD2 LYS 19 2HD LYS 19 8.074 -1.941 8.913 164 HD3 LYS 19 1HD LYS 19 6.658 -0.908 9.085 165 HE2 LYS 19 2HE LYS 19 5.459 -2.772 10.180 166 HE3 LYS 19 1HE LYS 19 6.913 -3.762 10.037 167 HZ1 LYS 19 1HZ LYS 19 6.664 -2.734 12.231 168 HZ2 LYS 19 2HZ LYS 19 6.746 -1.205 11.529 169 HZ3 LYS 19 3HZ LYS 19 8.067 -2.242 11.455 170 H CYS 20 HN CYS 20 2.592 -1.267 5.471 171 HA CYS 20 HA CYS 20 0.265 -2.097 6.801 172 HB2 CYS 20 2HB CYS 20 0.610 0.142 5.847 173 HB3 CYS 20 1HB CYS 20 0.614 -0.548 4.231 174 H CYS 21 HN CYS 21 1.923 -3.223 3.974 175 HA CYS 21 HA CYS 21 -0.102 -5.249 3.591 176 HB2 CYS 21 2HB CYS 21 1.187 -3.544 1.465 177 HB3 CYS 21 1HB CYS 21 0.471 -5.104 1.098 178 H ALA 22 HN ALA 22 1.223 -6.788 1.734 179 HA ALA 22 HA ALA 22 3.503 -7.662 3.260 180 HB1 ALA 22 2HB ALA 22 2.234 -8.789 0.763 181 HB2 ALA 22 3HB ALA 22 1.895 -9.296 2.417 182 HB3 ALA 22 1HB ALA 22 3.491 -9.569 1.721 183 HN1 NH2 23 2H ALA 22 5.680 -5.665 1.339 184 HN2 NH2 23 1H ALA 22 4.852 -5.856 2.850 Start of MODEL 10 1 H1 ARG 1 1HT ARG 1 2.023 7.236 -0.501 2 H2 ARG 1 2HT ARG 1 1.470 8.371 0.608 3 H3 ARG 1 3HT ARG 1 1.877 8.869 -0.951 4 HA ARG 1 HA ARG 1 -0.505 8.739 -0.606 5 HB2 ARG 1 2HB ARG 1 0.514 8.218 -2.856 6 HB3 ARG 1 1HB ARG 1 0.526 6.525 -2.398 7 HG2 ARG 1 2HG ARG 1 -1.347 6.997 -3.870 8 HG3 ARG 1 1HG ARG 1 -1.919 6.537 -2.267 9 HD2 ARG 1 2HD ARG 1 -2.323 8.846 -1.699 10 HD3 ARG 1 1HD ARG 1 -1.632 9.383 -3.228 11 HE ARG 1 HE ARG 1 -3.553 7.974 -4.198 12 HH11 ARG 1 1HH1 ARG 1 -3.800 9.850 -1.202 13 HH12 ARG 1 2HH1 ARG 1 -5.452 10.209 -1.414 14 HH21 ARG 1 1HH2 ARG 1 -5.810 8.525 -4.484 15 HH22 ARG 1 2HH2 ARG 1 -6.610 9.471 -3.311 16 H ASP 2 HN ASP 2 -2.081 7.777 0.576 17 HA ASP 2 HA ASP 2 -1.424 5.476 2.100 18 HB2 ASP 2 2HB ASP 2 -3.629 5.622 3.099 19 HB3 ASP 2 1HB ASP 2 -2.988 7.254 2.967 20 H CYS 3 HN CYS 3 -1.731 3.475 1.672 21 HA CYS 3 HA CYS 3 -3.457 2.769 -0.590 22 HB2 CYS 3 2HB CYS 3 -0.883 1.500 0.271 23 HB3 CYS 3 1HB CYS 3 -1.895 0.906 -1.038 24 H CYS 4 HN CYS 4 -3.095 2.525 2.699 25 HA CYS 4 HA CYS 4 -3.935 -0.216 2.960 26 HB2 CYS 4 2HB CYS 4 -2.318 0.742 4.539 27 HB3 CYS 4 1HB CYS 4 -3.488 1.941 5.047 28 H THR 5 HN THR 5 -5.475 2.742 2.454 29 HA THR 5 HA THR 5 -7.809 2.237 3.944 30 HB THR 5 HB THR 5 -7.481 4.034 1.524 31 HG1 THR 5 1HG THR 5 -6.370 5.261 2.733 32 HG21 THR 5 1HG2 THR 5 -9.342 5.285 2.578 33 HG22 THR 5 2HG2 THR 5 -9.393 4.053 3.854 34 HG23 THR 5 3HG2 THR 5 -9.792 3.614 2.205 35 HA HYP 6 HA HYP 6 -9.131 -0.953 1.106 36 HB2 HYP 6 1HB HYP 6 -10.465 -2.160 2.505 37 HB3 HYP 6 2HB HYP 6 -11.734 -0.928 2.439 38 HG HYP 6 HG HYP 6 -10.939 -0.751 4.705 39 HD22 HYP 6 1HD1 HYP 6 -9.325 1.256 4.453 40 HD23 HYP 6 2HD1 HYP 6 -10.845 1.398 3.528 41 HD1 HYP 6 2HD HYP 6 -8.352 -0.451 4.125 42 HA HYP 7 HA HYP 7 -10.018 -2.202 -0.380 43 HB2 HYP 7 1HB HYP 7 -10.526 -2.924 -2.505 44 HB3 HYP 7 2HB HYP 7 -9.822 -1.479 -3.248 45 HG HYP 7 HG HYP 7 -12.185 -1.183 -3.519 46 HD22 HYP 7 1HD1 HYP 7 -12.583 0.466 -1.470 47 HD23 HYP 7 2HD1 HYP 7 -11.181 0.812 -2.512 48 HD1 HYP 7 2HD HYP 7 -13.459 -1.363 -1.576 49 H LYS 8 HN LYS 8 -7.996 -2.663 -0.219 50 HA LYS 8 HA LYS 8 -6.147 -0.569 -0.064 51 HB2 LYS 8 2HB LYS 8 -5.678 -3.540 0.052 52 HB3 LYS 8 1HB LYS 8 -4.533 -2.299 0.544 53 HG2 LYS 8 2HG LYS 8 -6.237 -1.521 2.215 54 HG3 LYS 8 1HG LYS 8 -7.188 -2.930 1.787 55 HD2 LYS 8 2HD LYS 8 -5.368 -4.410 2.445 56 HD3 LYS 8 1HD LYS 8 -4.376 -3.014 2.870 57 HE2 LYS 8 2HE LYS 8 -6.044 -2.358 4.539 58 HE3 LYS 8 1HE LYS 8 -7.001 -3.780 4.139 59 HZ1 LYS 8 1HZ LYS 8 -4.273 -3.759 5.323 60 HZ2 LYS 8 2HZ LYS 8 -5.075 -5.147 4.827 61 HZ3 LYS 8 3HZ LYS 8 -5.708 -4.219 6.082 62 H LYS 9 HN LYS 9 -4.471 -0.047 -1.238 63 HA LYS 9 HA LYS 9 -4.624 -0.707 -4.072 64 HB2 LYS 9 2HB LYS 9 -2.935 1.357 -2.643 65 HB3 LYS 9 1HB LYS 9 -3.139 1.197 -4.377 66 HG2 LYS 9 2HG LYS 9 -5.473 1.803 -4.206 67 HG3 LYS 9 1HG LYS 9 -5.362 1.824 -2.448 68 HD2 LYS 9 2HD LYS 9 -5.283 4.089 -3.395 69 HD3 LYS 9 1HD LYS 9 -3.796 3.686 -2.542 70 HE2 LYS 9 2HE LYS 9 -3.338 4.852 -4.642 71 HE3 LYS 9 1HE LYS 9 -2.688 3.218 -4.671 72 HZ1 LYS 9 1HZ LYS 9 -5.221 4.111 -5.940 73 HZ2 LYS 9 2HZ LYS 9 -4.613 2.533 -5.984 74 HZ3 LYS 9 3HZ LYS 9 -3.778 3.784 -6.728 75 H CYS 10 HN CYS 10 -3.506 -2.494 -2.015 76 HA CYS 10 HA CYS 10 -0.677 -2.508 -2.043 77 HB2 CYS 10 2HB CYS 10 -2.592 -4.698 -1.266 78 HB3 CYS 10 1HB CYS 10 -0.886 -4.617 -0.840 79 H LYS 11 HN LYS 11 -2.624 -3.219 -4.577 80 HA LYS 11 HA LYS 11 -1.284 -5.570 -5.559 81 HB2 LYS 11 2HB LYS 11 -3.083 -3.576 -6.952 82 HB3 LYS 11 1HB LYS 11 -2.476 -5.054 -7.671 83 HG2 LYS 11 2HG LYS 11 -4.211 -4.998 -5.214 84 HG3 LYS 11 1HG LYS 11 -4.826 -5.165 -6.859 85 HD2 LYS 11 2HD LYS 11 -3.508 -7.207 -7.144 86 HD3 LYS 11 1HD LYS 11 -2.887 -7.036 -5.502 87 HE2 LYS 11 2HE LYS 11 -5.112 -7.285 -4.591 88 HE3 LYS 11 1HE LYS 11 -5.804 -7.320 -6.209 89 HZ1 LYS 11 1HZ LYS 11 -3.939 -9.353 -5.099 90 HZ2 LYS 11 2HZ LYS 11 -4.644 -9.408 -6.619 91 HZ3 LYS 11 3HZ LYS 11 -5.599 -9.529 -5.237 92 H ASP 12 HN ASP 12 -0.777 -2.174 -5.544 93 HA ASP 12 HA ASP 12 1.065 -2.347 -7.796 94 HB2 ASP 12 2HB ASP 12 -0.574 -0.463 -7.721 95 HB3 ASP 12 1HB ASP 12 0.242 0.122 -6.269 96 H ARG 13 HN ARG 13 3.221 -1.985 -7.604 97 HA ARG 13 HA ARG 13 4.349 -2.753 -5.179 98 HB2 ARG 13 2HB ARG 13 6.534 -2.393 -6.211 99 HB3 ARG 13 1HB ARG 13 5.454 -3.359 -7.194 100 HG2 ARG 13 2HG ARG 13 5.043 -1.436 -8.641 101 HG3 ARG 13 1HG ARG 13 6.092 -0.447 -7.622 102 HD2 ARG 13 2HD ARG 13 7.276 -1.271 -9.611 103 HD3 ARG 13 1HD ARG 13 7.978 -1.882 -8.119 104 HE ARG 13 HE ARG 13 6.212 -3.438 -9.889 105 HH11 ARG 13 1HH1 ARG 13 8.896 -3.297 -7.577 106 HH12 ARG 13 2HH1 ARG 13 9.309 -4.934 -7.735 107 HH21 ARG 13 1HH2 ARG 13 6.793 -5.687 -10.115 108 HH22 ARG 13 2HH2 ARG 13 8.093 -6.335 -9.239 109 H ARG 14 HN ARG 14 3.618 0.483 -6.295 110 HA ARG 14 HA ARG 14 5.497 1.816 -4.651 111 HB2 ARG 14 2HB ARG 14 2.805 2.655 -5.730 112 HB3 ARG 14 1HB ARG 14 3.833 3.730 -4.796 113 HG2 ARG 14 2HG ARG 14 5.529 3.686 -6.469 114 HG3 ARG 14 1HG ARG 14 4.699 2.403 -7.351 115 HD2 ARG 14 2HD ARG 14 4.376 4.618 -8.385 116 HD3 ARG 14 1HD ARG 14 2.865 3.891 -7.856 117 HE ARG 14 HE ARG 14 4.142 5.713 -6.014 118 HH11 ARG 14 1HH1 ARG 14 1.612 5.285 -8.497 119 HH12 ARG 14 2HH1 ARG 14 0.799 6.722 -8.108 120 HH21 ARG 14 1HH2 ARG 14 2.933 7.714 -5.466 121 HH22 ARG 14 2HH2 ARG 14 1.520 8.082 -6.330 122 H CYS 15 HN CYS 15 2.528 0.192 -4.031 123 HA CYS 15 HA CYS 15 2.261 1.336 -1.369 124 HB2 CYS 15 2HB CYS 15 0.520 -0.591 -2.896 125 HB3 CYS 15 1HB CYS 15 0.132 0.153 -1.350 126 H LYS 16 HN LYS 16 4.024 -1.039 -2.737 127 HA LYS 16 HA LYS 16 3.295 -3.244 -1.036 128 HB2 LYS 16 2HB LYS 16 4.088 -3.612 -3.336 129 HB3 LYS 16 1HB LYS 16 5.672 -2.994 -2.888 130 HG2 LYS 16 2HG LYS 16 5.939 -4.860 -1.325 131 HG3 LYS 16 1HG LYS 16 4.342 -5.456 -1.778 132 HD2 LYS 16 2HD LYS 16 5.117 -5.683 -4.108 133 HD3 LYS 16 1HD LYS 16 6.726 -5.170 -3.601 134 HE2 LYS 16 2HE LYS 16 5.262 -7.607 -2.588 135 HE3 LYS 16 1HE LYS 16 6.537 -7.614 -3.799 136 HZ1 LYS 16 1HZ LYS 16 7.416 -8.183 -1.618 137 HZ2 LYS 16 2HZ LYS 16 6.844 -6.753 -0.967 138 HZ3 LYS 16 3HZ LYS 16 8.054 -6.720 -2.134 139 HA HYP 17 HA HYP 17 7.527 -1.880 1.189 140 HB2 HYP 17 1HB HYP 17 8.455 0.012 0.166 141 HB3 HYP 17 2HB HYP 17 7.607 0.860 1.474 142 HG HYP 17 HG HYP 17 5.678 1.161 0.150 143 HD22 HYP 17 1HD1 HYP 17 7.094 -0.748 -1.733 144 HD23 HYP 17 2HD1 HYP 17 5.393 -0.214 -1.832 145 HD1 HYP 17 2HD HYP 17 6.242 1.907 -1.708 146 H LEU 18 HN LEU 18 4.382 -0.523 1.218 147 HA LEU 18 HA LEU 18 4.415 0.596 3.822 148 HB2 LEU 18 2HB LEU 18 2.086 -0.209 2.089 149 HB3 LEU 18 1HB LEU 18 2.002 0.824 3.502 150 HG LEU 18 HG LEU 18 3.444 1.481 0.932 151 HD11 LEU 18 1HD1 LEU 18 1.686 3.167 0.667 152 HD12 LEU 18 2HD1 LEU 18 0.854 2.484 2.072 153 HD13 LEU 18 3HD1 LEU 18 1.093 1.510 0.619 154 HD21 LEU 18 1HD2 LEU 18 4.541 2.521 2.845 155 HD22 LEU 18 2HD2 LEU 18 2.990 3.138 3.415 156 HD23 LEU 18 3HD2 LEU 18 3.673 3.733 1.901 157 H LYS 19 HN LYS 19 4.046 -0.366 5.678 158 HA LYS 19 HA LYS 19 4.237 -3.157 5.747 159 HB2 LYS 19 2HB LYS 19 4.052 -2.966 8.222 160 HB3 LYS 19 1HB LYS 19 5.295 -1.969 7.496 161 HG2 LYS 19 2HG LYS 19 3.863 -0.006 7.739 162 HG3 LYS 19 1HG LYS 19 2.602 -1.019 8.453 163 HD2 LYS 19 2HD LYS 19 4.090 -1.619 10.285 164 HD3 LYS 19 1HD LYS 19 5.391 -0.685 9.557 165 HE2 LYS 19 2HE LYS 19 4.331 0.535 11.389 166 HE3 LYS 19 1HE LYS 19 4.116 1.357 9.848 167 HZ1 LYS 19 1HZ LYS 19 1.864 0.543 9.735 168 HZ2 LYS 19 2HZ LYS 19 2.095 1.329 11.189 169 HZ3 LYS 19 3HZ LYS 19 2.052 -0.351 11.154 170 H CYS 20 HN CYS 20 1.436 -1.184 5.702 171 HA CYS 20 HA CYS 20 -0.342 -3.135 6.767 172 HB2 CYS 20 2HB CYS 20 -0.991 -0.770 6.586 173 HB3 CYS 20 1HB CYS 20 -0.911 -0.878 4.830 174 H CYS 21 HN CYS 21 1.221 -2.746 3.693 175 HA CYS 21 HA CYS 21 -0.553 -4.678 2.448 176 HB2 CYS 21 2HB CYS 21 1.698 -3.008 1.321 177 HB3 CYS 21 1HB CYS 21 0.702 -4.113 0.383 178 H ALA 22 HN ALA 22 2.157 -4.626 4.288 179 HA ALA 22 HA ALA 22 3.418 -6.903 3.005 180 HB1 ALA 22 2HB ALA 22 5.166 -6.643 4.729 181 HB2 ALA 22 3HB ALA 22 4.223 -5.363 5.487 182 HB3 ALA 22 1HB ALA 22 4.886 -5.126 3.872 183 HN1 NH2 23 2H ALA 22 2.128 -7.837 6.766 184 HN2 NH2 23 1H ALA 22 3.039 -6.403 6.459 Start of MODEL 11 1 H1 ARG 1 1HT ARG 1 0.152 9.358 -1.762 2 H2 ARG 1 2HT ARG 1 -0.490 10.293 -0.545 3 H3 ARG 1 3HT ARG 1 -0.669 10.780 -2.173 4 HA ARG 1 HA ARG 1 -2.708 9.821 -1.297 5 HB2 ARG 1 2HB ARG 1 -2.204 9.405 -3.703 6 HB3 ARG 1 1HB ARG 1 -1.235 8.015 -3.206 7 HG2 ARG 1 2HG ARG 1 -3.379 7.292 -4.108 8 HG3 ARG 1 1HG ARG 1 -3.201 6.855 -2.412 9 HD2 ARG 1 2HD ARG 1 -4.541 8.951 -1.884 10 HD3 ARG 1 1HD ARG 1 -4.894 9.042 -3.609 11 HE ARG 1 HE ARG 1 -5.450 6.470 -2.672 12 HH11 ARG 1 1HH1 ARG 1 -6.825 9.745 -2.409 13 HH12 ARG 1 2HH1 ARG 1 -8.409 9.174 -2.158 14 HH21 ARG 1 1HH2 ARG 1 -7.635 5.753 -2.290 15 HH22 ARG 1 2HH2 ARG 1 -8.887 6.890 -2.077 16 H ASP 2 HN ASP 2 -3.406 8.623 0.352 17 HA ASP 2 HA ASP 2 -1.683 6.653 1.494 18 HB2 ASP 2 2HB ASP 2 -3.416 6.245 3.131 19 HB3 ASP 2 1HB ASP 2 -3.365 7.993 2.887 20 H CYS 3 HN CYS 3 -1.832 4.573 1.245 21 HA CYS 3 HA CYS 3 -3.691 3.599 -0.801 22 HB2 CYS 3 2HB CYS 3 -1.246 3.431 -1.255 23 HB3 CYS 3 1HB CYS 3 -1.098 2.372 0.137 24 H CYS 4 HN CYS 4 -2.506 3.116 2.468 25 HA CYS 4 HA CYS 4 -3.379 0.502 2.967 26 HB2 CYS 4 2HB CYS 4 -3.009 2.761 4.927 27 HB3 CYS 4 1HB CYS 4 -3.116 1.053 5.334 28 H THR 5 HN THR 5 -5.293 3.426 2.967 29 HA THR 5 HA THR 5 -7.317 2.371 4.608 30 HB THR 5 HB THR 5 -7.593 4.512 2.465 31 HG1 THR 5 1HG THR 5 -6.245 5.450 3.583 32 HG21 THR 5 1HG2 THR 5 -9.433 5.300 3.870 33 HG22 THR 5 2HG2 THR 5 -9.071 4.017 5.038 34 HG23 THR 5 3HG2 THR 5 -9.678 3.592 3.450 35 HA HYP 6 HA HYP 6 -8.420 -0.725 1.526 36 HB2 HYP 6 1HB HYP 6 -9.307 -2.262 2.954 37 HB3 HYP 6 2HB HYP 6 -10.792 -1.309 3.107 38 HG HYP 6 HG HYP 6 -9.839 -1.147 5.316 39 HD22 HYP 6 1HD1 HYP 6 -8.630 1.124 5.122 40 HD23 HYP 6 2HD1 HYP 6 -10.222 1.076 4.305 41 HD1 HYP 6 2HD HYP 6 -7.454 -0.375 4.345 42 HA HYP 7 HA HYP 7 -9.411 -1.990 -0.038 43 HB2 HYP 7 1HB HYP 7 -10.401 -2.454 -2.035 44 HB3 HYP 7 2HB HYP 7 -9.610 -1.058 -2.776 45 HG HYP 7 HG HYP 7 -11.869 -0.366 -2.855 46 HD22 HYP 7 1HD1 HYP 7 -12.142 0.909 -0.541 47 HD23 HYP 7 2HD1 HYP 7 -10.708 1.313 -1.519 48 HD1 HYP 7 2HD HYP 7 -12.191 -1.449 -0.320 49 H LYS 8 HN LYS 8 -7.308 -2.270 -0.356 50 HA LYS 8 HA LYS 8 -5.707 0.078 -1.016 51 HB2 LYS 8 2HB LYS 8 -3.919 -1.270 0.350 52 HB3 LYS 8 1HB LYS 8 -5.123 -0.288 1.171 53 HG2 LYS 8 2HG LYS 8 -6.452 -2.165 1.574 54 HG3 LYS 8 1HG LYS 8 -5.355 -3.228 0.679 55 HD2 LYS 8 2HD LYS 8 -3.603 -2.753 2.372 56 HD3 LYS 8 1HD LYS 8 -4.720 -1.677 3.219 57 HE2 LYS 8 2HE LYS 8 -6.214 -3.548 3.656 58 HE3 LYS 8 1HE LYS 8 -5.148 -4.631 2.769 59 HZ1 LYS 8 1HZ LYS 8 -3.425 -4.218 4.439 60 HZ2 LYS 8 2HZ LYS 8 -4.818 -4.831 5.139 61 HZ3 LYS 8 3HZ LYS 8 -4.463 -3.215 5.308 62 H LYS 9 HN LYS 9 -4.266 -0.023 -2.537 63 HA LYS 9 HA LYS 9 -4.235 -2.388 -4.214 64 HB2 LYS 9 2HB LYS 9 -3.144 0.381 -4.649 65 HB3 LYS 9 1HB LYS 9 -2.779 -0.941 -5.740 66 HG2 LYS 9 2HG LYS 9 -5.542 0.062 -5.100 67 HG3 LYS 9 1HG LYS 9 -4.611 0.495 -6.535 68 HD2 LYS 9 2HD LYS 9 -4.543 -1.911 -7.153 69 HD3 LYS 9 1HD LYS 9 -5.570 -2.267 -5.766 70 HE2 LYS 9 2HE LYS 9 -6.294 -0.475 -8.080 71 HE3 LYS 9 1HE LYS 9 -6.865 -2.123 -7.835 72 HZ1 LYS 9 1HZ LYS 9 -7.920 -1.388 -5.781 73 HZ2 LYS 9 2HZ LYS 9 -8.493 -0.558 -7.123 74 HZ3 LYS 9 3HZ LYS 9 -7.424 0.204 -6.068 75 H CYS 10 HN CYS 10 -3.104 -3.318 -2.189 76 HA CYS 10 HA CYS 10 -0.330 -2.994 -1.815 77 HB2 CYS 10 2HB CYS 10 -2.013 -5.445 -1.430 78 HB3 CYS 10 1HB CYS 10 -0.472 -5.132 -0.652 79 H LYS 11 HN LYS 11 -2.134 -4.428 -4.277 80 HA LYS 11 HA LYS 11 -0.312 -6.291 -5.351 81 HB2 LYS 11 2HB LYS 11 -2.682 -6.290 -5.935 82 HB3 LYS 11 1HB LYS 11 -2.546 -4.680 -6.606 83 HG2 LYS 11 2HG LYS 11 -2.697 -6.343 -8.367 84 HG3 LYS 11 1HG LYS 11 -1.134 -5.530 -8.395 85 HD2 LYS 11 2HD LYS 11 -0.837 -7.898 -8.798 86 HD3 LYS 11 1HD LYS 11 -0.136 -7.463 -7.246 87 HE2 LYS 11 2HE LYS 11 -1.357 -9.586 -7.118 88 HE3 LYS 11 1HE LYS 11 -2.088 -8.360 -6.090 89 HZ1 LYS 11 1HZ LYS 11 -3.795 -8.022 -7.738 90 HZ2 LYS 11 2HZ LYS 11 -3.734 -9.622 -7.291 91 HZ3 LYS 11 3HZ LYS 11 -3.084 -9.147 -8.787 92 H ASP 12 HN ASP 12 -0.583 -2.795 -5.509 93 HA ASP 12 HA ASP 12 1.234 -2.524 -7.749 94 HB2 ASP 12 2HB ASP 12 -0.659 -0.904 -7.345 95 HB3 ASP 12 1HB ASP 12 0.145 -0.405 -5.863 96 H ARG 13 HN ARG 13 3.329 -1.915 -7.566 97 HA ARG 13 HA ARG 13 4.865 -2.831 -5.437 98 HB2 ARG 13 2HB ARG 13 5.599 -0.774 -7.508 99 HB3 ARG 13 1HB ARG 13 6.721 -1.563 -6.425 100 HG2 ARG 13 2HG ARG 13 6.292 -3.702 -7.442 101 HG3 ARG 13 1HG ARG 13 5.036 -2.996 -8.467 102 HD2 ARG 13 2HD ARG 13 6.633 -1.614 -9.580 103 HD3 ARG 13 1HD ARG 13 7.908 -2.103 -8.469 104 HE ARG 13 HE ARG 13 6.923 -4.385 -9.687 105 HH11 ARG 13 1HH1 ARG 13 8.589 -1.425 -10.683 106 HH12 ARG 13 2HH1 ARG 13 9.463 -2.168 -11.945 107 HH21 ARG 13 1HH2 ARG 13 8.161 -5.411 -11.418 108 HH22 ARG 13 2HH2 ARG 13 9.216 -4.474 -12.370 109 H ARG 14 HN ARG 14 3.503 0.348 -5.999 110 HA ARG 14 HA ARG 14 5.142 1.802 -4.211 111 HB2 ARG 14 2HB ARG 14 2.347 2.337 -5.184 112 HB3 ARG 14 1HB ARG 14 3.331 3.491 -4.295 113 HG2 ARG 14 2HG ARG 14 4.939 3.567 -6.066 114 HG3 ARG 14 1HG ARG 14 4.097 2.280 -6.936 115 HD2 ARG 14 2HD ARG 14 3.559 4.447 -7.894 116 HD3 ARG 14 1HD ARG 14 2.142 3.712 -7.144 117 HE ARG 14 HE ARG 14 3.630 5.535 -5.481 118 HH11 ARG 14 1HH1 ARG 14 0.824 5.066 -7.602 119 HH12 ARG 14 2HH1 ARG 14 0.076 6.529 -7.127 120 HH21 ARG 14 1HH2 ARG 14 2.575 7.555 -4.871 121 HH22 ARG 14 2HH2 ARG 14 1.072 7.939 -5.568 122 H CYS 15 HN CYS 15 2.394 -0.254 -3.709 123 HA CYS 15 HA CYS 15 2.079 0.770 -0.993 124 HB2 CYS 15 2HB CYS 15 0.385 -1.184 -2.536 125 HB3 CYS 15 1HB CYS 15 -0.008 -0.478 -0.969 126 H LYS 16 HN LYS 16 3.919 -1.427 -2.541 127 HA LYS 16 HA LYS 16 3.438 -3.762 -0.955 128 HB2 LYS 16 2HB LYS 16 4.396 -3.697 -3.316 129 HB3 LYS 16 1HB LYS 16 5.899 -3.144 -2.624 130 HG2 LYS 16 2HG LYS 16 4.599 -5.814 -2.013 131 HG3 LYS 16 1HG LYS 16 5.837 -5.565 -3.231 132 HD2 LYS 16 2HD LYS 16 6.134 -5.183 -0.246 133 HD3 LYS 16 1HD LYS 16 6.793 -6.511 -1.201 134 HE2 LYS 16 2HE LYS 16 8.140 -4.845 -2.466 135 HE3 LYS 16 1HE LYS 16 7.530 -3.595 -1.389 136 HZ1 LYS 16 1HZ LYS 16 9.646 -4.263 -0.582 137 HZ2 LYS 16 2HZ LYS 16 9.263 -5.878 -0.714 138 HZ3 LYS 16 3HZ LYS 16 8.527 -4.955 0.482 139 HA HYP 17 HA HYP 17 7.498 -2.067 1.453 140 HB2 HYP 17 1HB HYP 17 8.352 -0.205 0.316 141 HB3 HYP 17 2HB HYP 17 7.539 0.654 1.641 142 HG HYP 17 HG HYP 17 5.549 0.886 0.377 143 HD22 HYP 17 1HD1 HYP 17 6.970 -0.956 -1.565 144 HD23 HYP 17 2HD1 HYP 17 5.246 -0.503 -1.581 145 HD1 HYP 17 2HD HYP 17 6.124 1.562 -1.605 146 H LEU 18 HN LEU 18 4.235 -1.085 1.491 147 HA LEU 18 HA LEU 18 4.287 0.277 4.025 148 HB2 LEU 18 2HB LEU 18 1.979 -0.631 2.320 149 HB3 LEU 18 1HB LEU 18 1.863 0.427 3.709 150 HG LEU 18 HG LEU 18 3.264 1.076 1.108 151 HD11 LEU 18 1HD1 LEU 18 1.466 2.700 0.821 152 HD12 LEU 18 2HD1 LEU 18 0.713 2.135 2.312 153 HD13 LEU 18 3HD1 LEU 18 0.833 1.057 0.922 154 HD21 LEU 18 1HD2 LEU 18 3.500 3.330 2.059 155 HD22 LEU 18 2HD2 LEU 18 4.378 2.132 3.001 156 HD23 LEU 18 3HD2 LEU 18 2.828 2.746 3.579 157 H LYS 19 HN LYS 19 3.732 -0.529 5.961 158 HA LYS 19 HA LYS 19 3.848 -3.340 6.299 159 HB2 LYS 19 2HB LYS 19 3.547 -2.893 8.722 160 HB3 LYS 19 1HB LYS 19 4.829 -1.932 8.007 161 HG2 LYS 19 2HG LYS 19 3.231 -0.014 7.898 162 HG3 LYS 19 1HG LYS 19 2.068 -1.025 8.757 163 HD2 LYS 19 2HD LYS 19 4.791 -0.241 9.809 164 HD3 LYS 19 1HD LYS 19 3.279 0.543 10.250 165 HE2 LYS 19 2HE LYS 19 2.468 -1.588 11.180 166 HE3 LYS 19 1HE LYS 19 3.996 -2.349 10.745 167 HZ1 LYS 19 1HZ LYS 19 5.128 -0.788 12.233 168 HZ2 LYS 19 2HZ LYS 19 3.996 -1.739 13.044 169 HZ3 LYS 19 3HZ LYS 19 3.636 -0.134 12.694 170 H CYS 20 HN CYS 20 1.254 -1.267 5.695 171 HA CYS 20 HA CYS 20 -0.834 -2.875 6.827 172 HB2 CYS 20 2HB CYS 20 -2.309 -1.488 5.407 173 HB3 CYS 20 1HB CYS 20 -1.221 -0.494 6.368 174 H CYS 21 HN CYS 21 1.228 -3.216 4.166 175 HA CYS 21 HA CYS 21 -0.625 -5.039 2.844 176 HB2 CYS 21 2HB CYS 21 1.389 -3.142 1.672 177 HB3 CYS 21 1HB CYS 21 0.641 -4.435 0.753 178 H ALA 22 HN ALA 22 0.599 -6.650 1.520 179 HA ALA 22 HA ALA 22 2.779 -7.722 3.063 180 HB1 ALA 22 2HB ALA 22 2.567 -9.652 1.547 181 HB2 ALA 22 3HB ALA 22 1.372 -8.765 0.600 182 HB3 ALA 22 1HB ALA 22 1.015 -9.219 2.265 183 HN1 NH2 23 2H ALA 22 5.219 -6.167 1.159 184 HN2 NH2 23 1H ALA 22 4.517 -6.483 2.700 Start of MODEL 12 1 H1 ARG 1 1HT ARG 1 -0.080 8.444 -2.420 2 H2 ARG 1 2HT ARG 1 0.327 8.009 -0.833 3 H3 ARG 1 3HT ARG 1 -1.224 8.482 -1.191 4 HA ARG 1 HA ARG 1 -1.639 6.613 -2.499 5 HB2 ARG 1 2HB ARG 1 0.054 4.770 -2.654 6 HB3 ARG 1 1HB ARG 1 0.515 6.218 -3.521 7 HG2 ARG 1 2HG ARG 1 1.977 6.817 -1.570 8 HG3 ARG 1 1HG ARG 1 1.592 5.237 -0.886 9 HD2 ARG 1 2HD ARG 1 2.492 4.163 -2.892 10 HD3 ARG 1 1HD ARG 1 2.881 5.749 -3.553 11 HE ARG 1 HE ARG 1 4.047 4.937 -0.999 12 HH11 ARG 1 1HH1 ARG 1 4.534 5.830 -4.411 13 HH12 ARG 1 2HH1 ARG 1 6.219 5.803 -4.320 14 HH21 ARG 1 1HH2 ARG 1 6.343 4.889 -0.879 15 HH22 ARG 1 2HH2 ARG 1 7.306 5.207 -2.242 16 H ASP 2 HN ASP 2 -3.171 6.035 -1.138 17 HA ASP 2 HA ASP 2 -2.362 5.054 1.482 18 HB2 ASP 2 2HB ASP 2 -5.086 5.928 0.482 19 HB3 ASP 2 1HB ASP 2 -4.802 5.202 2.059 20 H CYS 3 HN CYS 3 -2.041 3.023 1.535 21 HA CYS 3 HA CYS 3 -3.805 1.336 -0.022 22 HB2 CYS 3 2HB CYS 3 -0.857 1.006 0.368 23 HB3 CYS 3 1HB CYS 3 -1.894 -0.255 -0.312 24 H CYS 4 HN CYS 4 -3.114 2.122 3.012 25 HA CYS 4 HA CYS 4 -4.120 -0.483 3.869 26 HB2 CYS 4 2HB CYS 4 -2.882 1.764 5.455 27 HB3 CYS 4 1HB CYS 4 -3.758 0.443 6.226 28 H THR 5 HN THR 5 -5.017 2.790 3.366 29 HA THR 5 HA THR 5 -7.415 2.537 4.835 30 HB THR 5 HB THR 5 -6.732 4.569 2.700 31 HG1 THR 5 1HG THR 5 -6.371 4.701 5.521 32 HG21 THR 5 1HG2 THR 5 -9.070 4.420 3.401 33 HG22 THR 5 2HG2 THR 5 -8.344 5.939 3.955 34 HG23 THR 5 3HG2 THR 5 -8.579 4.588 5.078 35 HA HYP 6 HA HYP 6 -9.231 0.330 1.371 36 HB2 HYP 6 1HB HYP 6 -10.595 -1.070 2.564 37 HB3 HYP 6 2HB HYP 6 -11.724 0.252 2.884 38 HG HYP 6 HG HYP 6 -10.836 -0.209 5.064 39 HD22 HYP 6 1HD1 HYP 6 -8.975 1.587 5.195 40 HD23 HYP 6 2HD1 HYP 6 -10.495 2.143 4.436 41 HD1 HYP 6 2HD HYP 6 -8.269 -0.057 4.437 42 HA HYP 7 HA HYP 7 -10.688 -0.433 -0.109 43 HB2 HYP 7 1HB HYP 7 -11.808 -0.573 -2.123 44 HB3 HYP 7 2HB HYP 7 -10.967 0.850 -2.771 45 HG HYP 7 HG HYP 7 -13.202 1.622 -2.353 46 HD22 HYP 7 1HD1 HYP 7 -12.710 2.862 -0.054 47 HD23 HYP 7 2HD1 HYP 7 -11.547 3.131 -1.375 48 HD1 HYP 7 2HD HYP 7 -14.131 1.262 -0.358 49 H LYS 8 HN LYS 8 -8.767 -1.054 0.059 50 HA LYS 8 HA LYS 8 -6.631 0.636 -0.829 51 HB2 LYS 8 2HB LYS 8 -5.189 -1.073 0.364 52 HB3 LYS 8 1HB LYS 8 -6.231 -0.048 1.329 53 HG2 LYS 8 2HG LYS 8 -7.665 -1.738 1.815 54 HG3 LYS 8 1HG LYS 8 -7.100 -2.791 0.509 55 HD2 LYS 8 2HD LYS 8 -4.920 -2.983 1.725 56 HD3 LYS 8 1HD LYS 8 -5.557 -1.941 2.991 57 HE2 LYS 8 2HE LYS 8 -6.750 -4.602 2.239 58 HE3 LYS 8 1HE LYS 8 -5.555 -4.399 3.513 59 HZ1 LYS 8 1HZ LYS 8 -8.268 -3.157 3.461 60 HZ2 LYS 8 2HZ LYS 8 -7.107 -2.965 4.682 61 HZ3 LYS 8 3HZ LYS 8 -7.773 -4.466 4.393 62 H LYS 9 HN LYS 9 -5.116 0.171 -2.187 63 HA LYS 9 HA LYS 9 -5.597 -2.079 -3.987 64 HB2 LYS 9 2HB LYS 9 -4.525 0.681 -4.622 65 HB3 LYS 9 1HB LYS 9 -4.748 -0.618 -5.790 66 HG2 LYS 9 2HG LYS 9 -7.121 -0.559 -5.503 67 HG3 LYS 9 1HG LYS 9 -6.979 0.574 -4.162 68 HD2 LYS 9 2HD LYS 9 -6.056 2.250 -5.707 69 HD3 LYS 9 1HD LYS 9 -6.248 1.107 -7.038 70 HE2 LYS 9 2HE LYS 9 -8.095 2.722 -6.942 71 HE3 LYS 9 1HE LYS 9 -8.654 1.071 -6.701 72 HZ1 LYS 9 1HZ LYS 9 -9.695 2.617 -5.149 73 HZ2 LYS 9 2HZ LYS 9 -8.199 3.074 -4.545 74 HZ3 LYS 9 3HZ LYS 9 -8.758 1.496 -4.316 75 H CYS 10 HN CYS 10 -4.050 -3.516 -3.569 76 HA CYS 10 HA CYS 10 -1.430 -2.603 -2.601 77 HB2 CYS 10 2HB CYS 10 -2.799 -4.194 -1.226 78 HB3 CYS 10 1HB CYS 10 -2.665 -5.356 -2.537 79 H LYS 11 HN LYS 11 -2.770 -3.161 -5.398 80 HA LYS 11 HA LYS 11 -1.448 -5.164 -6.766 81 HB2 LYS 11 2HB LYS 11 -3.387 -4.003 -7.660 82 HB3 LYS 11 1HB LYS 11 -2.446 -2.527 -7.824 83 HG2 LYS 11 2HG LYS 11 -1.013 -3.644 -9.473 84 HG3 LYS 11 1HG LYS 11 -1.979 -5.105 -9.309 85 HD2 LYS 11 2HD LYS 11 -2.659 -3.893 -11.286 86 HD3 LYS 11 1HD LYS 11 -3.957 -3.847 -10.096 87 HE2 LYS 11 2HE LYS 11 -3.359 -1.575 -9.485 88 HE3 LYS 11 1HE LYS 11 -1.954 -1.627 -10.551 89 HZ1 LYS 11 1HZ LYS 11 -4.797 -1.793 -11.398 90 HZ2 LYS 11 2HZ LYS 11 -3.475 -1.897 -12.420 91 HZ3 LYS 11 3HZ LYS 11 -3.780 -0.459 -11.604 92 H ASP 12 HN ASP 12 -0.277 -1.895 -6.091 93 HA ASP 12 HA ASP 12 1.969 -2.477 -7.878 94 HB2 ASP 12 2HB ASP 12 0.643 -0.466 -8.455 95 HB3 ASP 12 1HB ASP 12 1.082 0.251 -6.914 96 H ARG 13 HN ARG 13 3.987 -2.238 -7.308 97 HA ARG 13 HA ARG 13 4.953 -2.966 -4.831 98 HB2 ARG 13 2HB ARG 13 7.166 -2.309 -5.703 99 HB3 ARG 13 1HB ARG 13 6.232 -3.240 -6.868 100 HG2 ARG 13 2HG ARG 13 5.618 -1.175 -8.030 101 HG3 ARG 13 1HG ARG 13 6.545 -0.246 -6.859 102 HD2 ARG 13 2HD ARG 13 8.585 -1.386 -7.586 103 HD3 ARG 13 1HD ARG 13 7.643 -2.308 -8.762 104 HE ARG 13 HE ARG 13 7.034 0.256 -9.316 105 HH11 ARG 13 1HH1 ARG 13 10.098 -1.529 -9.127 106 HH12 ARG 13 2HH1 ARG 13 10.923 -0.562 -10.236 107 HH21 ARG 13 1HH2 ARG 13 8.183 1.627 -10.895 108 HH22 ARG 13 2HH2 ARG 13 9.799 1.261 -11.283 109 H ARG 14 HN ARG 14 4.147 0.224 -5.946 110 HA ARG 14 HA ARG 14 5.676 1.824 -4.270 111 HB2 ARG 14 2HB ARG 14 3.975 3.549 -4.610 112 HB3 ARG 14 1HB ARG 14 4.311 2.702 -6.111 113 HG2 ARG 14 2HG ARG 14 2.275 1.309 -5.674 114 HG3 ARG 14 1HG ARG 14 1.902 2.391 -4.335 115 HD2 ARG 14 2HD ARG 14 1.844 4.282 -5.882 116 HD3 ARG 14 1HD ARG 14 2.214 3.195 -7.225 117 HE ARG 14 HE ARG 14 -0.186 2.744 -5.612 118 HH11 ARG 14 1HH1 ARG 14 1.223 3.544 -8.800 119 HH12 ARG 14 2HH1 ARG 14 -0.287 3.521 -9.577 120 HH21 ARG 14 1HH2 ARG 14 -2.173 2.694 -6.709 121 HH22 ARG 14 2HH2 ARG 14 -2.259 2.984 -8.381 122 H CYS 15 HN CYS 15 2.886 -0.116 -3.553 123 HA CYS 15 HA CYS 15 2.727 1.075 -0.897 124 HB2 CYS 15 2HB CYS 15 0.768 -0.580 -2.453 125 HB3 CYS 15 1HB CYS 15 0.532 -0.116 -0.768 126 H LYS 16 HN LYS 16 4.525 -1.082 -2.097 127 HA LYS 16 HA LYS 16 3.898 -3.355 -0.422 128 HB2 LYS 16 2HB LYS 16 4.838 -3.623 -2.723 129 HB3 LYS 16 1HB LYS 16 6.346 -2.931 -2.154 130 HG2 LYS 16 2HG LYS 16 6.644 -4.798 -0.620 131 HG3 LYS 16 1HG LYS 16 5.103 -5.481 -1.130 132 HD2 LYS 16 2HD LYS 16 7.498 -5.034 -2.915 133 HD3 LYS 16 1HD LYS 16 7.044 -6.580 -2.208 134 HE2 LYS 16 2HE LYS 16 5.392 -4.973 -4.182 135 HE3 LYS 16 1HE LYS 16 6.314 -6.424 -4.541 136 HZ1 LYS 16 1HZ LYS 16 3.944 -6.893 -4.226 137 HZ2 LYS 16 2HZ LYS 16 4.009 -6.296 -2.666 138 HZ3 LYS 16 3HZ LYS 16 4.871 -7.683 -3.069 139 HA HYP 17 HA HYP 17 7.508 -1.440 2.211 140 HB2 HYP 17 1HB HYP 17 8.466 0.451 1.186 141 HB3 HYP 17 2HB HYP 17 7.405 1.320 2.310 142 HG HYP 17 HG HYP 17 5.671 1.468 0.697 143 HD22 HYP 17 1HD1 HYP 17 7.368 -0.493 -0.864 144 HD23 HYP 17 2HD1 HYP 17 5.662 -0.075 -1.156 145 HD1 HYP 17 2HD HYP 17 6.494 2.075 -1.155 146 H LEU 18 HN LEU 18 4.339 -0.428 1.648 147 HA LEU 18 HA LEU 18 3.765 0.725 4.207 148 HB2 LEU 18 2HB LEU 18 1.980 -0.157 1.939 149 HB3 LEU 18 1HB LEU 18 1.410 0.725 3.335 150 HG LEU 18 HG LEU 18 3.328 1.743 1.226 151 HD11 LEU 18 1HD1 LEU 18 1.047 1.668 0.463 152 HD12 LEU 18 2HD1 LEU 18 1.523 3.340 0.754 153 HD13 LEU 18 3HD1 LEU 18 0.494 2.501 1.914 154 HD21 LEU 18 1HD2 LEU 18 3.930 2.652 3.398 155 HD22 LEU 18 2HD2 LEU 18 2.254 3.107 3.696 156 HD23 LEU 18 3HD2 LEU 18 3.167 3.898 2.413 157 H LYS 19 HN LYS 19 2.675 -0.225 5.851 158 HA LYS 19 HA LYS 19 3.521 -2.687 6.635 159 HB2 LYS 19 2HB LYS 19 2.668 -1.007 8.162 160 HB3 LYS 19 1HB LYS 19 1.035 -1.267 7.568 161 HG2 LYS 19 2HG LYS 19 1.147 -3.590 8.392 162 HG3 LYS 19 1HG LYS 19 2.750 -3.241 9.039 163 HD2 LYS 19 2HD LYS 19 1.811 -1.509 10.461 164 HD3 LYS 19 1HD LYS 19 0.209 -1.829 9.807 165 HE2 LYS 19 2HE LYS 19 0.451 -2.924 11.942 166 HE3 LYS 19 1HE LYS 19 0.338 -4.130 10.665 167 HZ1 LYS 19 1HZ LYS 19 2.731 -4.447 10.772 168 HZ2 LYS 19 2HZ LYS 19 2.085 -4.591 12.340 169 HZ3 LYS 19 3HZ LYS 19 2.861 -3.188 11.879 170 H CYS 20 HN CYS 20 0.372 -2.018 5.184 171 HA CYS 20 HA CYS 20 -0.703 -4.593 5.583 172 HB2 CYS 20 2HB CYS 20 -1.463 -2.521 3.535 173 HB3 CYS 20 1HB CYS 20 -2.455 -3.880 4.059 174 H CYS 21 HN CYS 21 1.648 -3.531 3.308 175 HA CYS 21 HA CYS 21 1.156 -5.961 1.762 176 HB2 CYS 21 2HB CYS 21 1.973 -3.265 0.705 177 HB3 CYS 21 1HB CYS 21 1.911 -4.745 -0.245 178 H ALA 22 HN ALA 22 3.088 -4.870 3.963 179 HA ALA 22 HA ALA 22 5.630 -5.089 2.610 180 HB1 ALA 22 2HB ALA 22 6.614 -4.599 4.789 181 HB2 ALA 22 3HB ALA 22 5.032 -4.750 5.551 182 HB3 ALA 22 1HB ALA 22 5.339 -3.441 4.409 183 HN1 NH2 23 2H ALA 22 5.685 -8.570 2.918 184 HN2 NH2 23 1H ALA 22 5.436 -7.212 1.875 Start of MODEL 13 1 H1 ARG 1 1HT ARG 1 2.802 8.119 -0.232 2 H2 ARG 1 2HT ARG 1 2.426 6.968 0.946 3 H3 ARG 1 3HT ARG 1 1.391 8.255 0.670 4 HA ARG 1 HA ARG 1 0.811 7.492 -1.449 5 HB2 ARG 1 2HB ARG 1 2.955 6.420 -2.061 6 HB3 ARG 1 1HB ARG 1 2.683 5.182 -0.850 7 HG2 ARG 1 2HG ARG 1 2.216 4.378 -3.113 8 HG3 ARG 1 1HG ARG 1 0.779 4.340 -2.094 9 HD2 ARG 1 2HD ARG 1 -0.049 6.361 -3.112 10 HD3 ARG 1 1HD ARG 1 1.426 6.542 -4.058 11 HE ARG 1 HE ARG 1 0.786 4.459 -5.190 12 HH11 ARG 1 1HH1 ARG 1 -1.830 6.263 -3.560 13 HH12 ARG 1 2HH1 ARG 1 -3.017 5.763 -4.650 14 HH21 ARG 1 1HH2 ARG 1 -0.859 3.813 -6.683 15 HH22 ARG 1 2HH2 ARG 1 -2.466 4.334 -6.480 16 H ASP 2 HN ASP 2 -1.179 7.300 -0.695 17 HA ASP 2 HA ASP 2 -1.799 5.486 1.409 18 HB2 ASP 2 2HB ASP 2 -3.497 7.318 -0.258 19 HB3 ASP 2 1HB ASP 2 -4.214 6.147 0.841 20 H CYS 3 HN CYS 3 -1.779 3.525 1.074 21 HA CYS 3 HA CYS 3 -3.044 2.456 -1.341 22 HB2 CYS 3 2HB CYS 3 -0.694 1.880 -1.196 23 HB3 CYS 3 1HB CYS 3 -0.921 1.261 0.432 24 H CYS 4 HN CYS 4 -2.869 2.402 2.137 25 HA CYS 4 HA CYS 4 -4.568 0.140 2.429 26 HB2 CYS 4 2HB CYS 4 -3.549 2.114 4.469 27 HB3 CYS 4 1HB CYS 4 -4.366 0.594 4.828 28 H THR 5 HN THR 5 -5.572 2.611 1.062 29 HA THR 5 HA THR 5 -7.681 3.547 2.718 30 HB THR 5 HB THR 5 -7.446 3.724 -0.294 31 HG1 THR 5 1HG THR 5 -6.101 5.063 1.798 32 HG21 THR 5 1HG2 THR 5 -8.735 5.485 1.780 33 HG22 THR 5 2HG2 THR 5 -9.584 4.345 0.754 34 HG23 THR 5 3HG2 THR 5 -8.788 5.760 0.029 35 HA HYP 6 HA HYP 6 -9.691 -0.422 1.944 36 HB2 HYP 6 1HB HYP 6 -10.678 -0.593 3.989 37 HB3 HYP 6 2HB HYP 6 -11.977 0.481 3.455 38 HG HYP 6 HG HYP 6 -10.928 1.838 5.136 39 HD22 HYP 6 1HD1 HYP 6 -9.246 3.220 3.724 40 HD23 HYP 6 2HD1 HYP 6 -10.850 2.997 2.970 41 HD1 HYP 6 2HD HYP 6 -8.432 1.500 4.267 42 HA HYP 7 HA HYP 7 -10.700 -2.043 1.195 43 HB2 HYP 7 1HB HYP 7 -12.200 -3.339 0.034 44 HB3 HYP 7 2HB HYP 7 -11.358 -2.901 -1.455 45 HG HYP 7 HG HYP 7 -13.428 -1.912 -1.920 46 HD22 HYP 7 1HD1 HYP 7 -13.295 0.478 -0.707 47 HD23 HYP 7 2HD1 HYP 7 -11.975 0.029 -1.814 48 HD1 HYP 7 2HD HYP 7 -14.533 -0.900 -0.100 49 H LYS 8 HN LYS 8 -8.719 -2.348 1.068 50 HA LYS 8 HA LYS 8 -7.202 -0.850 -0.883 51 HB2 LYS 8 2HB LYS 8 -5.293 -1.508 0.616 52 HB3 LYS 8 1HB LYS 8 -6.493 -0.413 1.299 53 HG2 LYS 8 2HG LYS 8 -7.479 -2.139 2.530 54 HG3 LYS 8 1HG LYS 8 -6.533 -3.379 1.730 55 HD2 LYS 8 2HD LYS 8 -4.470 -2.251 2.748 56 HD3 LYS 8 1HD LYS 8 -5.579 -1.194 3.618 57 HE2 LYS 8 2HE LYS 8 -4.826 -2.983 5.061 58 HE3 LYS 8 1HE LYS 8 -6.551 -3.146 4.742 59 HZ1 LYS 8 1HZ LYS 8 -4.381 -4.664 3.412 60 HZ2 LYS 8 2HZ LYS 8 -6.022 -4.826 3.074 61 HZ3 LYS 8 3HZ LYS 8 -5.427 -5.276 4.578 62 H LYS 9 HN LYS 9 -5.725 -1.736 -2.230 63 HA LYS 9 HA LYS 9 -5.318 -4.603 -2.127 64 HB2 LYS 9 2HB LYS 9 -5.573 -4.890 -4.523 65 HB3 LYS 9 1HB LYS 9 -7.045 -4.158 -3.918 66 HG2 LYS 9 2HG LYS 9 -6.355 -1.985 -4.799 67 HG3 LYS 9 1HG LYS 9 -4.810 -2.658 -5.287 68 HD2 LYS 9 2HD LYS 9 -6.238 -2.483 -7.225 69 HD3 LYS 9 1HD LYS 9 -6.005 -4.184 -6.839 70 HE2 LYS 9 2HE LYS 9 -8.314 -3.787 -7.421 71 HE3 LYS 9 1HE LYS 9 -8.209 -4.193 -5.713 72 HZ1 LYS 9 1HZ LYS 9 -9.702 -2.369 -6.064 73 HZ2 LYS 9 2HZ LYS 9 -8.530 -1.460 -6.853 74 HZ3 LYS 9 3HZ LYS 9 -8.369 -1.806 -5.206 75 H CYS 10 HN CYS 10 -3.237 -5.076 -2.375 76 HA CYS 10 HA CYS 10 -1.395 -2.899 -2.763 77 HB2 CYS 10 2HB CYS 10 -0.901 -5.843 -2.359 78 HB3 CYS 10 1HB CYS 10 0.354 -4.619 -2.442 79 H LYS 11 HN LYS 11 -1.973 -2.361 -4.854 80 HA LYS 11 HA LYS 11 -0.975 -4.248 -6.868 81 HB2 LYS 11 2HB LYS 11 -3.351 -3.803 -7.132 82 HB3 LYS 11 1HB LYS 11 -3.053 -2.076 -7.159 83 HG2 LYS 11 2HG LYS 11 -1.787 -2.343 -9.240 84 HG3 LYS 11 1HG LYS 11 -2.133 -4.072 -9.211 85 HD2 LYS 11 2HD LYS 11 -4.500 -3.639 -9.398 86 HD3 LYS 11 1HD LYS 11 -4.222 -1.898 -9.294 87 HE2 LYS 11 2HE LYS 11 -2.903 -1.994 -11.348 88 HE3 LYS 11 1HE LYS 11 -3.201 -3.727 -11.452 89 HZ1 LYS 11 1HZ LYS 11 -5.301 -1.637 -11.519 90 HZ2 LYS 11 2HZ LYS 11 -5.539 -3.291 -11.721 91 HZ3 LYS 11 3HZ LYS 11 -4.666 -2.415 -12.863 92 H ASP 12 HN ASP 12 -0.841 -1.010 -5.623 93 HA ASP 12 HA ASP 12 0.854 -0.021 -7.729 94 HB2 ASP 12 2HB ASP 12 -0.701 1.374 -6.254 95 HB3 ASP 12 1HB ASP 12 0.482 1.147 -4.969 96 H ARG 13 HN ARG 13 3.085 0.043 -7.679 97 HA ARG 13 HA ARG 13 4.414 -1.879 -6.092 98 HB2 ARG 13 2HB ARG 13 5.654 0.399 -7.605 99 HB3 ARG 13 1HB ARG 13 6.456 -1.061 -7.039 100 HG2 ARG 13 2HG ARG 13 4.956 -2.377 -8.544 101 HG3 ARG 13 1HG ARG 13 4.355 -0.849 -9.181 102 HD2 ARG 13 2HD ARG 13 6.081 -1.700 -10.636 103 HD3 ARG 13 1HD ARG 13 6.650 -0.237 -9.826 104 HE ARG 13 HE ARG 13 7.352 -2.551 -8.377 105 HH11 ARG 13 1HH1 ARG 13 8.340 -0.574 -11.122 106 HH12 ARG 13 2HH1 ARG 13 9.921 -1.182 -11.206 107 HH21 ARG 13 1HH2 ARG 13 9.520 -3.401 -8.458 108 HH22 ARG 13 2HH2 ARG 13 10.629 -2.848 -9.630 109 H ARG 14 HN ARG 14 3.855 1.517 -5.690 110 HA ARG 14 HA ARG 14 5.877 1.975 -3.724 111 HB2 ARG 14 2HB ARG 14 3.408 3.506 -4.505 112 HB3 ARG 14 1HB ARG 14 4.589 4.093 -3.337 113 HG2 ARG 14 2HG ARG 14 6.253 4.291 -5.016 114 HG3 ARG 14 1HG ARG 14 5.281 3.374 -6.170 115 HD2 ARG 14 2HD ARG 14 4.480 6.030 -5.003 116 HD3 ARG 14 1HD ARG 14 5.254 5.832 -6.579 117 HE ARG 14 HE ARG 14 3.021 4.153 -6.452 118 HH11 ARG 14 1HH1 ARG 14 3.602 7.675 -6.493 119 HH12 ARG 14 2HH1 ARG 14 2.199 8.002 -7.413 120 HH21 ARG 14 1HH2 ARG 14 1.136 4.656 -7.707 121 HH22 ARG 14 2HH2 ARG 14 0.797 6.276 -8.134 122 H CYS 15 HN CYS 15 3.050 0.242 -3.661 123 HA CYS 15 HA CYS 15 2.324 0.829 -0.927 124 HB2 CYS 15 2HB CYS 15 0.565 0.433 -2.570 125 HB3 CYS 15 1HB CYS 15 1.263 -1.123 -2.977 126 H LYS 16 HN LYS 16 4.486 -1.177 -2.635 127 HA LYS 16 HA LYS 16 4.174 -3.495 -1.001 128 HB2 LYS 16 2HB LYS 16 4.924 -3.756 -3.282 129 HB3 LYS 16 1HB LYS 16 6.339 -2.768 -2.964 130 HG2 LYS 16 2HG LYS 16 7.332 -4.450 -1.631 131 HG3 LYS 16 1HG LYS 16 5.827 -5.367 -1.554 132 HD2 LYS 16 2HD LYS 16 7.401 -6.397 -3.119 133 HD3 LYS 16 1HD LYS 16 5.953 -5.805 -3.928 134 HE2 LYS 16 2HE LYS 16 7.201 -3.792 -4.626 135 HE3 LYS 16 1HE LYS 16 8.647 -4.455 -3.858 136 HZ1 LYS 16 1HZ LYS 16 7.140 -5.715 -6.062 137 HZ2 LYS 16 2HZ LYS 16 8.561 -6.317 -5.388 138 HZ3 LYS 16 3HZ LYS 16 8.577 -4.864 -6.251 139 HA HYP 17 HA HYP 17 8.144 -1.726 1.357 140 HB2 HYP 17 1HB HYP 17 8.956 0.161 0.207 141 HB3 HYP 17 2HB HYP 17 8.117 1.005 1.529 142 HG HYP 17 HG HYP 17 6.116 1.156 0.265 143 HD22 HYP 17 1HD1 HYP 17 7.605 -0.645 -1.663 144 HD23 HYP 17 2HD1 HYP 17 5.866 -0.242 -1.697 145 HD1 HYP 17 2HD HYP 17 6.563 1.916 -1.588 146 H LEU 18 HN LEU 18 4.847 -1.044 1.398 147 HA LEU 18 HA LEU 18 4.811 0.228 4.002 148 HB2 LEU 18 2HB LEU 18 2.511 -0.625 2.245 149 HB3 LEU 18 1HB LEU 18 2.403 0.372 3.679 150 HG LEU 18 HG LEU 18 3.711 1.145 1.065 151 HD11 LEU 18 1HD1 LEU 18 1.278 1.112 0.979 152 HD12 LEU 18 2HD1 LEU 18 1.899 2.760 0.911 153 HD13 LEU 18 3HD1 LEU 18 1.205 2.140 2.409 154 HD21 LEU 18 1HD2 LEU 18 3.985 3.344 2.063 155 HD22 LEU 18 2HD2 LEU 18 4.886 2.131 2.971 156 HD23 LEU 18 3HD2 LEU 18 3.350 2.745 3.594 157 H LYS 19 HN LYS 19 4.606 -0.862 5.789 158 HA LYS 19 HA LYS 19 4.550 -3.712 5.761 159 HB2 LYS 19 2HB LYS 19 4.287 -1.830 8.108 160 HB3 LYS 19 1HB LYS 19 4.680 -3.544 8.177 161 HG2 LYS 19 2HG LYS 19 6.755 -3.074 6.895 162 HG3 LYS 19 1HG LYS 19 6.362 -1.360 6.966 163 HD2 LYS 19 2HD LYS 19 7.958 -1.887 8.688 164 HD3 LYS 19 1HD LYS 19 6.412 -1.483 9.430 165 HE2 LYS 19 2HE LYS 19 7.431 -3.430 10.511 166 HE3 LYS 19 1HE LYS 19 5.919 -3.870 9.733 167 HZ1 LYS 19 1HZ LYS 19 8.656 -4.361 8.695 168 HZ2 LYS 19 2HZ LYS 19 7.264 -4.679 7.827 169 HZ3 LYS 19 3HZ LYS 19 7.567 -5.521 9.255 170 H CYS 20 HN CYS 20 2.292 -1.207 6.055 171 HA CYS 20 HA CYS 20 0.095 -2.569 7.151 172 HB2 CYS 20 2HB CYS 20 0.121 -0.163 7.013 173 HB3 CYS 20 1HB CYS 20 0.316 -0.215 5.270 174 H CYS 21 HN CYS 21 1.601 -2.652 4.030 175 HA CYS 21 HA CYS 21 -0.673 -3.763 2.660 176 HB2 CYS 21 2HB CYS 21 0.724 -2.387 1.323 177 HB3 CYS 21 1HB CYS 21 2.176 -3.173 1.915 178 H ALA 22 HN ALA 22 2.556 -4.840 3.652 179 HA ALA 22 HA ALA 22 1.843 -7.587 3.043 180 HB1 ALA 22 2HB ALA 22 4.457 -6.415 4.001 181 HB2 ALA 22 3HB ALA 22 4.036 -6.742 2.321 182 HB3 ALA 22 1HB ALA 22 4.204 -8.075 3.463 183 HN1 NH2 23 2H ALA 22 0.760 -8.067 6.329 184 HN2 NH2 23 1H ALA 22 0.322 -7.860 4.667 Start of MODEL 14 1 H1 ARG 1 1HT ARG 1 -1.181 8.643 -3.241 2 H2 ARG 1 2HT ARG 1 -0.864 9.794 -2.069 3 H3 ARG 1 3HT ARG 1 -1.778 10.225 -3.423 4 HA ARG 1 HA ARG 1 -3.116 9.918 -1.429 5 HB2 ARG 1 2HB ARG 1 -4.765 8.383 -2.389 6 HB3 ARG 1 1HB ARG 1 -4.087 9.389 -3.653 7 HG2 ARG 1 2HG ARG 1 -2.640 7.528 -4.336 8 HG3 ARG 1 1HG ARG 1 -3.351 6.528 -3.066 9 HD2 ARG 1 2HD ARG 1 -4.819 7.777 -5.380 10 HD3 ARG 1 1HD ARG 1 -4.389 6.076 -5.232 11 HE ARG 1 HE ARG 1 -5.831 6.579 -2.999 12 HH11 ARG 1 1HH1 ARG 1 -6.450 6.987 -6.455 13 HH12 ARG 1 2HH1 ARG 1 -8.131 6.807 -6.335 14 HH21 ARG 1 1HH2 ARG 1 -8.166 6.344 -2.808 15 HH22 ARG 1 2HH2 ARG 1 -9.130 6.497 -4.194 16 H ASP 2 HN ASP 2 -3.933 8.347 0.155 17 HA ASP 2 HA ASP 2 -1.779 6.677 1.085 18 HB2 ASP 2 2HB ASP 2 -4.592 6.940 2.176 19 HB3 ASP 2 1HB ASP 2 -3.305 6.034 2.938 20 H CYS 3 HN CYS 3 -1.421 4.823 0.189 21 HA CYS 3 HA CYS 3 -3.330 3.378 -1.328 22 HB2 CYS 3 2HB CYS 3 -0.885 3.303 -1.754 23 HB3 CYS 3 1HB CYS 3 -0.661 2.462 -0.228 24 H CYS 4 HN CYS 4 -2.388 3.401 1.986 25 HA CYS 4 HA CYS 4 -3.362 0.814 2.661 26 HB2 CYS 4 2HB CYS 4 -2.692 3.184 4.394 27 HB3 CYS 4 1HB CYS 4 -3.048 1.564 4.984 28 H THR 5 HN THR 5 -5.042 3.686 1.953 29 HA THR 5 HA THR 5 -7.094 3.392 3.836 30 HB THR 5 HB THR 5 -7.296 4.661 1.086 31 HG1 THR 5 1HG THR 5 -6.298 5.514 3.583 32 HG21 THR 5 1HG2 THR 5 -9.420 4.217 2.189 33 HG22 THR 5 2HG2 THR 5 -9.111 5.968 2.183 34 HG23 THR 5 3HG2 THR 5 -8.838 4.997 3.646 35 HA HYP 6 HA HYP 6 -8.593 -0.413 1.999 36 HB2 HYP 6 1HB HYP 6 -9.658 -1.367 3.796 37 HB3 HYP 6 2HB HYP 6 -10.885 -0.089 3.820 38 HG HYP 6 HG HYP 6 -9.523 0.293 5.802 39 HD22 HYP 6 1HD1 HYP 6 -8.217 2.317 4.883 40 HD23 HYP 6 2HD1 HYP 6 -9.920 2.266 4.340 41 HD1 HYP 6 2HD HYP 6 -7.285 0.635 4.445 42 HA HYP 7 HA HYP 7 -9.709 -1.975 0.867 43 HB2 HYP 7 1HB HYP 7 -10.760 -2.872 -0.947 44 HB3 HYP 7 2HB HYP 7 -9.875 -1.777 -2.021 45 HG HYP 7 HG HYP 7 -12.092 -0.973 -2.279 46 HD22 HYP 7 1HD1 HYP 7 -12.178 0.914 -0.425 47 HD23 HYP 7 2HD1 HYP 7 -10.726 0.890 -1.464 48 HD1 HYP 7 2HD HYP 7 -12.487 -1.124 0.443 49 H LYS 8 HN LYS 8 -7.661 -2.063 1.175 50 HA LYS 8 HA LYS 8 -5.827 -0.369 -0.307 51 HB2 LYS 8 2HB LYS 8 -4.160 -1.399 1.390 52 HB3 LYS 8 1HB LYS 8 -5.322 -0.202 1.956 53 HG2 LYS 8 2HG LYS 8 -6.724 -1.837 2.765 54 HG3 LYS 8 1HG LYS 8 -5.744 -3.159 2.137 55 HD2 LYS 8 2HD LYS 8 -3.931 -2.460 3.673 56 HD3 LYS 8 1HD LYS 8 -4.940 -1.129 4.247 57 HE2 LYS 8 2HE LYS 8 -5.510 -4.080 4.536 58 HE3 LYS 8 1HE LYS 8 -5.026 -2.977 5.822 59 HZ1 LYS 8 1HZ LYS 8 -7.114 -1.724 5.394 60 HZ2 LYS 8 2HZ LYS 8 -7.367 -3.286 5.939 61 HZ3 LYS 8 3HZ LYS 8 -7.594 -2.933 4.313 62 H LYS 9 HN LYS 9 -5.104 -1.120 -2.052 63 HA LYS 9 HA LYS 9 -4.924 -4.015 -2.415 64 HB2 LYS 9 2HB LYS 9 -4.963 -1.828 -4.494 65 HB3 LYS 9 1HB LYS 9 -4.909 -3.551 -4.822 66 HG2 LYS 9 2HG LYS 9 -7.167 -2.038 -3.518 67 HG3 LYS 9 1HG LYS 9 -7.152 -2.717 -5.146 68 HD2 LYS 9 2HD LYS 9 -6.875 -4.967 -4.156 69 HD3 LYS 9 1HD LYS 9 -7.004 -4.251 -2.551 70 HE2 LYS 9 2HE LYS 9 -9.246 -3.416 -3.139 71 HE3 LYS 9 1HE LYS 9 -9.100 -4.216 -4.705 72 HZ1 LYS 9 1HZ LYS 9 -10.334 -5.580 -3.178 73 HZ2 LYS 9 2HZ LYS 9 -9.084 -5.547 -2.060 74 HZ3 LYS 9 3HZ LYS 9 -8.873 -6.329 -3.526 75 H CYS 10 HN CYS 10 -2.977 -4.767 -1.968 76 HA CYS 10 HA CYS 10 -0.661 -3.162 -2.532 77 HB2 CYS 10 2HB CYS 10 -0.608 -4.664 -0.547 78 HB3 CYS 10 1HB CYS 10 -0.791 -6.058 -1.609 79 H LYS 11 HN LYS 11 -1.125 -2.874 -4.625 80 HA LYS 11 HA LYS 11 -0.311 -5.088 -6.380 81 HB2 LYS 11 2HB LYS 11 -2.707 -4.623 -6.653 82 HB3 LYS 11 1HB LYS 11 -2.351 -2.931 -6.967 83 HG2 LYS 11 2HG LYS 11 -1.163 -3.537 -8.990 84 HG3 LYS 11 1HG LYS 11 -1.461 -5.245 -8.666 85 HD2 LYS 11 2HD LYS 11 -3.874 -4.841 -8.834 86 HD3 LYS 11 1HD LYS 11 -3.559 -3.139 -9.175 87 HE2 LYS 11 2HE LYS 11 -3.986 -4.443 -11.224 88 HE3 LYS 11 1HE LYS 11 -2.378 -3.723 -11.205 89 HZ1 LYS 11 1HZ LYS 11 -1.440 -5.834 -10.604 90 HZ2 LYS 11 2HZ LYS 11 -2.374 -6.054 -11.970 91 HZ3 LYS 11 3HZ LYS 11 -2.959 -6.540 -10.466 92 H ASP 12 HN ASP 12 -0.393 -1.619 -5.794 93 HA ASP 12 HA ASP 12 1.476 -1.067 -7.900 94 HB2 ASP 12 2HB ASP 12 -0.254 0.584 -7.093 95 HB3 ASP 12 1HB ASP 12 0.644 0.703 -5.585 96 H ARG 13 HN ARG 13 3.628 -0.666 -7.635 97 HA ARG 13 HA ARG 13 5.034 -2.180 -5.744 98 HB2 ARG 13 2HB ARG 13 6.041 0.093 -7.442 99 HB3 ARG 13 1HB ARG 13 7.031 -1.061 -6.566 100 HG2 ARG 13 2HG ARG 13 6.344 -2.865 -7.936 101 HG3 ARG 13 1HG ARG 13 5.048 -1.905 -8.653 102 HD2 ARG 13 2HD ARG 13 7.984 -1.306 -8.963 103 HD3 ARG 13 1HD ARG 13 7.021 -2.199 -10.142 104 HE ARG 13 HE ARG 13 5.798 0.262 -9.533 105 HH11 ARG 13 1HH1 ARG 13 8.580 -0.988 -11.335 106 HH12 ARG 13 2HH1 ARG 13 8.579 0.266 -12.488 107 HH21 ARG 13 1HH2 ARG 13 5.792 1.992 -11.131 108 HH22 ARG 13 2HH2 ARG 13 6.970 2.016 -12.333 109 H ARG 14 HN ARG 14 4.002 1.151 -5.650 110 HA ARG 14 HA ARG 14 5.748 2.030 -3.589 111 HB2 ARG 14 2HB ARG 14 3.088 3.028 -4.569 112 HB3 ARG 14 1HB ARG 14 4.012 3.843 -3.318 113 HG2 ARG 14 2HG ARG 14 5.765 4.343 -4.816 114 HG3 ARG 14 1HG ARG 14 5.114 3.259 -6.051 115 HD2 ARG 14 2HD ARG 14 3.712 5.714 -5.018 116 HD3 ARG 14 1HD ARG 14 4.675 5.665 -6.497 117 HE ARG 14 HE ARG 14 2.853 3.605 -6.651 118 HH11 ARG 14 1HH1 ARG 14 2.696 7.142 -6.476 119 HH12 ARG 14 2HH1 ARG 14 1.281 7.244 -7.427 120 HH21 ARG 14 1HH2 ARG 14 1.001 3.774 -7.974 121 HH22 ARG 14 2HH2 ARG 14 0.295 5.297 -8.312 122 H CYS 15 HN CYS 15 3.020 0.016 -3.596 123 HA CYS 15 HA CYS 15 2.335 0.584 -0.841 124 HB2 CYS 15 2HB CYS 15 1.112 -1.405 -2.752 125 HB3 CYS 15 1HB CYS 15 0.432 -0.847 -1.226 126 H LYS 16 HN LYS 16 4.618 -1.252 -2.418 127 HA LYS 16 HA LYS 16 4.214 -3.718 -0.987 128 HB2 LYS 16 2HB LYS 16 5.199 -3.755 -3.231 129 HB3 LYS 16 1HB LYS 16 6.581 -2.835 -2.660 130 HG2 LYS 16 2HG LYS 16 7.208 -4.694 -1.183 131 HG3 LYS 16 1HG LYS 16 5.824 -5.616 -1.759 132 HD2 LYS 16 2HD LYS 16 8.107 -4.644 -3.486 133 HD3 LYS 16 1HD LYS 16 7.947 -6.277 -2.849 134 HE2 LYS 16 2HE LYS 16 5.854 -6.560 -4.097 135 HE3 LYS 16 1HE LYS 16 5.999 -4.922 -4.723 136 HZ1 LYS 16 1HZ LYS 16 6.771 -6.559 -6.323 137 HZ2 LYS 16 2HZ LYS 16 7.943 -7.110 -5.239 138 HZ3 LYS 16 3HZ LYS 16 8.014 -5.536 -5.839 139 HA HYP 17 HA HYP 17 7.975 -2.008 1.689 140 HB2 HYP 17 1HB HYP 17 8.921 -0.113 0.689 141 HB3 HYP 17 2HB HYP 17 7.989 0.720 1.950 142 HG HYP 17 HG HYP 17 6.133 1.012 0.507 143 HD22 HYP 17 1HD1 HYP 17 7.653 -0.839 -1.349 144 HD23 HYP 17 2HD1 HYP 17 5.933 -0.375 -1.452 145 HD1 HYP 17 2HD HYP 17 6.858 1.720 -1.369 146 H LEU 18 HN LEU 18 4.760 -0.924 1.451 147 HA LEU 18 HA LEU 18 4.553 0.233 4.070 148 HB2 LEU 18 2HB LEU 18 2.403 -0.525 2.099 149 HB3 LEU 18 1HB LEU 18 2.160 0.417 3.552 150 HG LEU 18 HG LEU 18 3.789 1.282 1.145 151 HD11 LEU 18 1HD1 LEU 18 1.139 2.274 2.187 152 HD12 LEU 18 2HD1 LEU 18 1.341 1.230 0.793 153 HD13 LEU 18 3HD1 LEU 18 1.999 2.869 0.768 154 HD21 LEU 18 1HD2 LEU 18 3.875 3.456 2.278 155 HD22 LEU 18 2HD2 LEU 18 4.696 2.208 3.212 156 HD23 LEU 18 3HD2 LEU 18 3.085 2.753 3.687 157 H LYS 19 HN LYS 19 3.759 -0.671 5.863 158 HA LYS 19 HA LYS 19 3.820 -3.457 6.263 159 HB2 LYS 19 2HB LYS 19 2.581 -1.281 7.939 160 HB3 LYS 19 1HB LYS 19 2.798 -2.935 8.489 161 HG2 LYS 19 2HG LYS 19 5.196 -2.716 8.319 162 HG3 LYS 19 1HG LYS 19 5.012 -1.107 7.624 163 HD2 LYS 19 2HD LYS 19 4.132 -1.906 10.397 164 HD3 LYS 19 1HD LYS 19 5.638 -1.070 10.024 165 HE2 LYS 19 2HE LYS 19 4.303 0.786 9.042 166 HE3 LYS 19 1HE LYS 19 2.838 -0.052 9.545 167 HZ1 LYS 19 1HZ LYS 19 3.601 0.116 11.839 168 HZ2 LYS 19 2HZ LYS 19 3.407 1.622 11.104 169 HZ3 LYS 19 3HZ LYS 19 4.963 0.982 11.319 170 H CYS 20 HN CYS 20 1.402 -1.441 5.094 171 HA CYS 20 HA CYS 20 -0.948 -2.849 5.754 172 HB2 CYS 20 2HB CYS 20 -0.440 -1.172 3.303 173 HB3 CYS 20 1HB CYS 20 -1.982 -1.463 4.110 174 H CYS 21 HN CYS 21 1.613 -3.547 3.578 175 HA CYS 21 HA CYS 21 -0.067 -5.296 1.980 176 HB2 CYS 21 2HB CYS 21 1.524 -3.858 0.771 177 HB3 CYS 21 1HB CYS 21 2.853 -4.554 1.690 178 H ALA 22 HN ALA 22 -0.485 -7.055 3.150 179 HA ALA 22 HA ALA 22 1.748 -8.413 4.462 180 HB1 ALA 22 2HB ALA 22 0.039 -9.554 5.823 181 HB2 ALA 22 3HB ALA 22 -1.227 -8.681 4.961 182 HB3 ALA 22 1HB ALA 22 -0.085 -7.800 5.972 183 HN1 NH2 23 2H ALA 22 -0.688 -10.831 2.259 184 HN2 NH2 23 1H ALA 22 -1.339 -9.669 3.360 Start of MODEL 15 1 H1 ARG 1 1HT ARG 1 -3.563 9.968 0.277 2 H2 ARG 1 2HT ARG 1 -4.222 9.105 -1.006 3 H3 ARG 1 3HT ARG 1 -3.568 10.625 -1.281 4 HA ARG 1 HA ARG 1 -2.104 8.946 -2.100 5 HB2 ARG 1 2HB ARG 1 -1.141 11.012 -1.011 6 HB3 ARG 1 1HB ARG 1 -1.014 10.080 0.474 7 HG2 ARG 1 2HG ARG 1 0.501 8.510 -0.661 8 HG3 ARG 1 1HG ARG 1 0.432 9.524 -2.103 9 HD2 ARG 1 2HD ARG 1 1.445 10.331 0.619 10 HD3 ARG 1 1HD ARG 1 2.425 10.028 -0.813 11 HE ARG 1 HE ARG 1 0.631 11.989 -1.520 12 HH11 ARG 1 1HH1 ARG 1 3.228 11.667 0.890 13 HH12 ARG 1 2HH1 ARG 1 3.576 13.330 0.891 14 HH21 ARG 1 1HH2 ARG 1 1.135 14.267 -1.455 15 HH22 ARG 1 2HH2 ARG 1 2.385 14.824 -0.430 16 H ASP 2 HN ASP 2 -3.117 8.501 1.265 17 HA ASP 2 HA ASP 2 -1.492 6.375 1.914 18 HB2 ASP 2 2HB ASP 2 -4.183 7.201 2.974 19 HB3 ASP 2 1HB ASP 2 -3.324 5.803 3.599 20 H CYS 3 HN CYS 3 -1.324 4.520 1.131 21 HA CYS 3 HA CYS 3 -3.535 3.378 -0.365 22 HB2 CYS 3 2HB CYS 3 -1.197 3.450 -1.336 23 HB3 CYS 3 1HB CYS 3 -0.723 2.282 -0.112 24 H CYS 4 HN CYS 4 -2.512 3.367 2.775 25 HA CYS 4 HA CYS 4 -3.296 0.620 3.256 26 HB2 CYS 4 2HB CYS 4 -2.741 2.872 5.212 27 HB3 CYS 4 1HB CYS 4 -3.002 1.185 5.639 28 H THR 5 HN THR 5 -4.800 3.584 2.760 29 HA THR 5 HA THR 5 -7.100 3.033 4.318 30 HB THR 5 HB THR 5 -6.769 5.053 2.073 31 HG1 THR 5 1HG THR 5 -6.293 6.483 3.867 32 HG21 THR 5 1HG2 THR 5 -9.077 4.587 2.737 33 HG22 THR 5 2HG2 THR 5 -8.612 6.212 3.274 34 HG23 THR 5 3HG2 THR 5 -8.655 4.857 4.418 35 HA HYP 6 HA HYP 6 -8.414 0.139 1.168 36 HB2 HYP 6 1HB HYP 6 -9.568 -1.258 2.534 37 HB3 HYP 6 2HB HYP 6 -10.929 -0.125 2.587 38 HG HYP 6 HG HYP 6 -10.149 -0.056 4.851 39 HD22 HYP 6 1HD1 HYP 6 -8.579 1.995 4.764 40 HD23 HYP 6 2HD1 HYP 6 -10.104 2.181 3.848 41 HD1 HYP 6 2HD HYP 6 -7.578 0.354 4.249 42 HA HYP 7 HA HYP 7 -9.870 -1.134 -0.208 43 HB2 HYP 7 1HB HYP 7 -10.929 -1.575 -2.152 44 HB3 HYP 7 2HB HYP 7 -9.890 -0.449 -3.030 45 HG HYP 7 HG HYP 7 -11.952 0.667 -3.169 46 HD22 HYP 7 1HD1 HYP 7 -11.935 2.162 -0.949 47 HD23 HYP 7 2HD1 HYP 7 -10.511 2.241 -2.014 48 HD1 HYP 7 2HD HYP 7 -12.667 0.260 -0.565 49 H LYS 8 HN LYS 8 -7.949 -1.861 -0.173 50 HA LYS 8 HA LYS 8 -5.827 -0.426 -1.549 51 HB2 LYS 8 2HB LYS 8 -4.335 -1.333 0.261 52 HB3 LYS 8 1HB LYS 8 -5.425 -0.034 0.718 53 HG2 LYS 8 2HG LYS 8 -6.809 -1.409 1.836 54 HG3 LYS 8 1HG LYS 8 -6.154 -2.902 1.165 55 HD2 LYS 8 2HD LYS 8 -3.996 -2.322 2.364 56 HD3 LYS 8 1HD LYS 8 -4.849 -0.968 3.103 57 HE2 LYS 8 2HE LYS 8 -4.735 -2.876 4.607 58 HE3 LYS 8 1HE LYS 8 -6.397 -2.498 4.170 59 HZ1 LYS 8 1HZ LYS 8 -6.502 -4.379 2.748 60 HZ2 LYS 8 2HZ LYS 8 -5.754 -4.929 4.159 61 HZ3 LYS 8 3HZ LYS 8 -4.834 -4.613 2.791 62 H LYS 9 HN LYS 9 -4.789 -1.519 -2.902 63 HA LYS 9 HA LYS 9 -4.809 -4.481 -2.862 64 HB2 LYS 9 2HB LYS 9 -4.559 -2.676 -5.273 65 HB3 LYS 9 1HB LYS 9 -4.543 -4.426 -5.292 66 HG2 LYS 9 2HG LYS 9 -6.856 -4.472 -4.584 67 HG3 LYS 9 1HG LYS 9 -6.881 -2.709 -4.495 68 HD2 LYS 9 2HD LYS 9 -6.279 -2.633 -6.902 69 HD3 LYS 9 1HD LYS 9 -6.395 -4.391 -6.943 70 HE2 LYS 9 2HE LYS 9 -8.438 -3.395 -7.795 71 HE3 LYS 9 1HE LYS 9 -8.738 -4.237 -6.273 72 HZ1 LYS 9 1HZ LYS 9 -9.839 -2.048 -6.347 73 HZ2 LYS 9 2HZ LYS 9 -8.337 -1.314 -6.538 74 HZ3 LYS 9 3HZ LYS 9 -8.682 -2.134 -5.128 75 H CYS 10 HN CYS 10 -2.797 -5.129 -2.230 76 HA CYS 10 HA CYS 10 -0.565 -3.428 -2.882 77 HB2 CYS 10 2HB CYS 10 -0.596 -4.466 -0.627 78 HB3 CYS 10 1HB CYS 10 -0.526 -6.060 -1.375 79 H LYS 11 HN LYS 11 -1.203 -3.783 -5.066 80 HA LYS 11 HA LYS 11 0.263 -6.054 -6.244 81 HB2 LYS 11 2HB LYS 11 -1.905 -4.351 -7.508 82 HB3 LYS 11 1HB LYS 11 -1.055 -5.666 -8.304 83 HG2 LYS 11 2HG LYS 11 -1.998 -7.241 -6.667 84 HG3 LYS 11 1HG LYS 11 -2.884 -5.912 -5.922 85 HD2 LYS 11 2HD LYS 11 -4.061 -5.517 -8.027 86 HD3 LYS 11 1HD LYS 11 -3.184 -6.851 -8.778 87 HE2 LYS 11 2HE LYS 11 -5.056 -7.054 -6.422 88 HE3 LYS 11 1HE LYS 11 -5.457 -7.490 -8.079 89 HZ1 LYS 11 1HZ LYS 11 -4.895 -9.429 -6.758 90 HZ2 LYS 11 2HZ LYS 11 -3.374 -8.800 -6.397 91 HZ3 LYS 11 3HZ LYS 11 -3.754 -9.223 -7.976 92 H ASP 12 HN ASP 12 -0.287 -2.637 -6.151 93 HA ASP 12 HA ASP 12 1.696 -2.034 -8.142 94 HB2 ASP 12 2HB ASP 12 -0.331 -0.605 -7.762 95 HB3 ASP 12 1HB ASP 12 0.326 -0.185 -6.184 96 H ARG 13 HN ARG 13 3.729 -1.315 -7.729 97 HA ARG 13 HA ARG 13 5.013 -2.267 -5.429 98 HB2 ARG 13 2HB ARG 13 7.006 -1.139 -6.244 99 HB3 ARG 13 1HB ARG 13 6.213 -2.075 -7.505 100 HG2 ARG 13 2HG ARG 13 5.247 -0.011 -8.414 101 HG3 ARG 13 1HG ARG 13 6.056 0.915 -7.148 102 HD2 ARG 13 2HD ARG 13 7.301 0.994 -9.244 103 HD3 ARG 13 1HD ARG 13 8.219 0.178 -7.980 104 HE ARG 13 HE ARG 13 6.707 -1.643 -9.552 105 HH11 ARG 13 1HH1 ARG 13 9.727 0.212 -9.507 106 HH12 ARG 13 2HH1 ARG 13 10.537 -0.824 -10.564 107 HH21 ARG 13 1HH2 ARG 13 7.837 -3.087 -11.018 108 HH22 ARG 13 2HH2 ARG 13 9.441 -2.740 -11.437 109 H ARG 14 HN ARG 14 3.555 0.841 -6.059 110 HA ARG 14 HA ARG 14 5.040 2.237 -4.054 111 HB2 ARG 14 2HB ARG 14 2.507 2.896 -5.553 112 HB3 ARG 14 1HB ARG 14 3.304 4.001 -4.437 113 HG2 ARG 14 2HG ARG 14 5.176 4.240 -5.832 114 HG3 ARG 14 1HG ARG 14 4.756 2.813 -6.777 115 HD2 ARG 14 2HD ARG 14 3.107 5.331 -6.690 116 HD3 ARG 14 1HD ARG 14 4.309 4.980 -7.935 117 HE ARG 14 HE ARG 14 2.541 2.813 -7.734 118 HH11 ARG 14 1HH1 ARG 14 2.423 6.187 -8.802 119 HH12 ARG 14 2HH1 ARG 14 1.237 5.897 -9.998 120 HH21 ARG 14 1HH2 ARG 14 0.981 2.445 -9.390 121 HH22 ARG 14 2HH2 ARG 14 0.402 3.748 -10.352 122 H CYS 15 HN CYS 15 2.673 -0.078 -3.900 123 HA CYS 15 HA CYS 15 1.807 0.855 -1.258 124 HB2 CYS 15 2HB CYS 15 0.487 -1.115 -3.135 125 HB3 CYS 15 1HB CYS 15 -0.104 -0.686 -1.533 126 H LYS 16 HN LYS 16 4.160 -0.884 -2.508 127 HA LYS 16 HA LYS 16 3.698 -3.341 -1.043 128 HB2 LYS 16 2HB LYS 16 4.543 -3.578 -3.288 129 HB3 LYS 16 1HB LYS 16 5.941 -2.584 -2.913 130 HG2 LYS 16 2HG LYS 16 6.783 -4.255 -1.392 131 HG3 LYS 16 1HG LYS 16 5.331 -5.227 -1.607 132 HD2 LYS 16 2HD LYS 16 7.316 -4.556 -3.783 133 HD3 LYS 16 1HD LYS 16 7.253 -6.082 -2.901 134 HE2 LYS 16 2HE LYS 16 4.909 -6.356 -3.705 135 HE3 LYS 16 1HE LYS 16 5.140 -4.933 -4.715 136 HZ1 LYS 16 1HZ LYS 16 6.708 -7.437 -4.884 137 HZ2 LYS 16 2HZ LYS 16 6.951 -6.083 -5.830 138 HZ3 LYS 16 3HZ LYS 16 5.503 -6.954 -5.958 139 HA HYP 17 HA HYP 17 7.711 -1.654 1.264 140 HB2 HYP 17 1HB HYP 17 8.556 0.218 0.127 141 HB3 HYP 17 2HB HYP 17 7.832 1.047 1.518 142 HG HYP 17 HG HYP 17 5.820 1.452 0.348 143 HD22 HYP 17 1HD1 HYP 17 6.938 -0.384 -1.776 144 HD23 HYP 17 2HD1 HYP 17 5.242 0.088 -1.513 145 HD1 HYP 17 2HD HYP 17 6.297 2.202 -1.559 146 H LEU 18 HN LEU 18 4.536 -0.825 1.351 147 HA LEU 18 HA LEU 18 4.423 0.493 3.885 148 HB2 LEU 18 2HB LEU 18 2.239 -0.644 2.160 149 HB3 LEU 18 1HB LEU 18 2.006 0.382 3.559 150 HG LEU 18 HG LEU 18 3.381 1.231 0.994 151 HD11 LEU 18 1HD1 LEU 18 1.390 2.555 0.620 152 HD12 LEU 18 2HD1 LEU 18 0.667 1.924 2.100 153 HD13 LEU 18 3HD1 LEU 18 0.972 0.844 0.740 154 HD21 LEU 18 1HD2 LEU 18 3.243 3.482 1.953 155 HD22 LEU 18 2HD2 LEU 18 4.238 2.422 2.948 156 HD23 LEU 18 3HD2 LEU 18 2.591 2.811 3.449 157 H LYS 19 HN LYS 19 4.050 -0.435 5.773 158 HA LYS 19 HA LYS 19 4.413 -3.180 6.235 159 HB2 LYS 19 2HB LYS 19 3.776 -2.653 8.564 160 HB3 LYS 19 1HB LYS 19 4.936 -1.502 7.918 161 HG2 LYS 19 2HG LYS 19 3.095 0.077 7.488 162 HG3 LYS 19 1HG LYS 19 1.966 -1.066 8.205 163 HD2 LYS 19 2HD LYS 19 3.251 -0.935 10.320 164 HD3 LYS 19 1HD LYS 19 4.291 0.280 9.574 165 HE2 LYS 19 2HE LYS 19 2.278 1.682 9.177 166 HE3 LYS 19 1HE LYS 19 1.326 0.487 10.047 167 HZ1 LYS 19 1HZ LYS 19 3.568 2.063 11.183 168 HZ2 LYS 19 2HZ LYS 19 2.679 0.922 12.027 169 HZ3 LYS 19 3HZ LYS 19 1.939 2.313 11.497 170 H CYS 20 HN CYS 20 1.633 -1.372 5.449 171 HA CYS 20 HA CYS 20 -0.415 -3.028 6.491 172 HB2 CYS 20 2HB CYS 20 -0.592 -1.250 4.072 173 HB3 CYS 20 1HB CYS 20 -1.878 -1.682 5.192 174 H CYS 21 HN CYS 21 1.735 -3.333 3.817 175 HA CYS 21 HA CYS 21 -0.005 -5.065 2.318 176 HB2 CYS 21 2HB CYS 21 1.560 -3.670 1.048 177 HB3 CYS 21 1HB CYS 21 2.920 -4.342 1.937 178 H ALA 22 HN ALA 22 -0.451 -6.768 3.477 179 HA ALA 22 HA ALA 22 1.632 -8.191 4.874 180 HB1 ALA 22 2HB ALA 22 -1.346 -8.656 4.768 181 HB2 ALA 22 3HB ALA 22 -0.484 -7.778 6.030 182 HB3 ALA 22 1HB ALA 22 -0.208 -9.505 5.810 183 HN1 NH2 23 2H ALA 22 2.152 -10.218 2.109 184 HN2 NH2 23 1H ALA 22 2.756 -9.022 3.203 Start of MODEL 16 1 H1 ARG 1 1HT ARG 1 0.215 9.306 0.438 2 H2 ARG 1 2HT ARG 1 -0.503 10.443 -0.576 3 H3 ARG 1 3HT ARG 1 -0.160 8.882 -1.147 4 HA ARG 1 HA ARG 1 -2.103 9.550 0.951 5 HB2 ARG 1 2HB ARG 1 -2.890 10.131 -1.299 6 HB3 ARG 1 1HB ARG 1 -2.448 8.531 -1.881 7 HG2 ARG 1 2HG ARG 1 -4.077 7.568 -0.280 8 HG3 ARG 1 1HG ARG 1 -4.582 9.206 0.123 9 HD2 ARG 1 2HD ARG 1 -5.244 9.580 -2.184 10 HD3 ARG 1 1HD ARG 1 -4.695 7.958 -2.615 11 HE ARG 1 HE ARG 1 -6.846 8.478 -0.686 12 HH11 ARG 1 1HH1 ARG 1 -5.558 6.558 -3.425 13 HH12 ARG 1 2HH1 ARG 1 -6.935 5.566 -3.498 14 HH21 ARG 1 1HH2 ARG 1 -8.680 7.054 -0.848 15 HH22 ARG 1 2HH2 ARG 1 -8.718 5.845 -2.036 16 H ASP 2 HN ASP 2 -2.695 7.894 2.162 17 HA ASP 2 HA ASP 2 -1.223 5.519 2.189 18 HB2 ASP 2 2HB ASP 2 -3.665 6.434 3.625 19 HB3 ASP 2 1HB ASP 2 -3.174 4.757 3.744 20 H CYS 3 HN CYS 3 -1.315 3.896 1.008 21 HA CYS 3 HA CYS 3 -3.255 3.373 -0.942 22 HB2 CYS 3 2HB CYS 3 -0.974 2.632 -1.191 23 HB3 CYS 3 1HB CYS 3 -1.097 1.648 0.260 24 H CYS 4 HN CYS 4 -2.813 2.268 2.362 25 HA CYS 4 HA CYS 4 -4.669 0.148 2.126 26 HB2 CYS 4 2HB CYS 4 -3.218 1.299 4.467 27 HB3 CYS 4 1HB CYS 4 -4.435 0.038 4.648 28 H THR 5 HN THR 5 -5.484 3.111 1.835 29 HA THR 5 HA THR 5 -7.595 3.245 3.721 30 HB THR 5 HB THR 5 -7.376 4.768 1.095 31 HG1 THR 5 1HG THR 5 -5.564 5.390 2.025 32 HG21 THR 5 1HG2 THR 5 -8.632 5.386 3.756 33 HG22 THR 5 2HG2 THR 5 -9.494 4.792 2.358 34 HG23 THR 5 3HG2 THR 5 -8.737 6.403 2.305 35 HA HYP 6 HA HYP 6 -9.585 -0.054 1.381 36 HB2 HYP 6 1HB HYP 6 -10.732 -1.017 3.101 37 HB3 HYP 6 2HB HYP 6 -11.937 0.281 3.057 38 HG HYP 6 HG HYP 6 -10.868 0.665 5.176 39 HD22 HYP 6 1HD1 HYP 6 -9.137 2.482 4.507 40 HD23 HYP 6 2HD1 HYP 6 -10.739 2.660 3.737 41 HD1 HYP 6 2HD HYP 6 -8.368 0.668 4.262 42 HA HYP 7 HA HYP 7 -10.743 -1.290 0.023 43 HB2 HYP 7 1HB HYP 7 -11.914 -1.888 -1.826 44 HB3 HYP 7 2HB HYP 7 -10.819 -0.926 -2.821 45 HG HYP 7 HG HYP 7 -12.778 0.299 -3.165 46 HD22 HYP 7 1HD1 HYP 7 -12.865 1.974 -1.070 47 HD23 HYP 7 2HD1 HYP 7 -11.366 1.908 -2.027 48 HD1 HYP 7 2HD HYP 7 -13.701 0.174 -0.620 49 H LYS 8 HN LYS 8 -8.774 -1.805 0.105 50 HA LYS 8 HA LYS 8 -6.766 -0.044 -1.056 51 HB2 LYS 8 2HB LYS 8 -5.256 -1.258 0.569 52 HB3 LYS 8 1HB LYS 8 -6.469 -0.176 1.250 53 HG2 LYS 8 2HG LYS 8 -7.833 -1.940 1.893 54 HG3 LYS 8 1HG LYS 8 -6.907 -3.126 0.995 55 HD2 LYS 8 2HD LYS 8 -4.972 -2.625 2.519 56 HD3 LYS 8 1HD LYS 8 -6.017 -1.518 3.410 57 HE2 LYS 8 2HE LYS 8 -7.529 -3.393 3.895 58 HE3 LYS 8 1HE LYS 8 -6.415 -4.478 3.068 59 HZ1 LYS 8 1HZ LYS 8 -6.085 -4.564 5.401 60 HZ2 LYS 8 2HZ LYS 8 -5.857 -2.916 5.531 61 HZ3 LYS 8 3HZ LYS 8 -4.713 -3.871 4.712 62 H LYS 9 HN LYS 9 -5.068 -0.912 -2.236 63 HA LYS 9 HA LYS 9 -5.372 -3.681 -3.091 64 HB2 LYS 9 2HB LYS 9 -5.021 -2.912 -5.461 65 HB3 LYS 9 1HB LYS 9 -6.576 -2.455 -4.783 66 HG2 LYS 9 2HG LYS 9 -5.761 -0.176 -4.406 67 HG3 LYS 9 1HG LYS 9 -4.174 -0.629 -5.010 68 HD2 LYS 9 2HD LYS 9 -6.734 -0.672 -6.608 69 HD3 LYS 9 1HD LYS 9 -5.523 0.605 -6.673 70 HE2 LYS 9 2HE LYS 9 -3.862 -1.062 -7.448 71 HE3 LYS 9 1HE LYS 9 -5.128 -2.284 -7.444 72 HZ1 LYS 9 1HZ LYS 9 -4.780 -1.383 -9.660 73 HZ2 LYS 9 2HZ LYS 9 -5.108 0.170 -9.105 74 HZ3 LYS 9 3HZ LYS 9 -6.329 -0.982 -9.111 75 H CYS 10 HN CYS 10 -3.417 -4.601 -2.688 76 HA CYS 10 HA CYS 10 -1.108 -2.861 -3.088 77 HB2 CYS 10 2HB CYS 10 -1.224 -3.691 -0.775 78 HB3 CYS 10 1HB CYS 10 -1.259 -5.352 -1.365 79 H LYS 11 HN LYS 11 -1.132 -3.191 -5.295 80 HA LYS 11 HA LYS 11 0.236 -5.668 -6.017 81 HB2 LYS 11 2HB LYS 11 -2.084 -4.485 -7.547 82 HB3 LYS 11 1HB LYS 11 -0.981 -5.661 -8.246 83 HG2 LYS 11 2HG LYS 11 -2.663 -6.125 -5.788 84 HG3 LYS 11 1HG LYS 11 -3.079 -6.668 -7.416 85 HD2 LYS 11 2HD LYS 11 -1.169 -8.126 -7.488 86 HD3 LYS 11 1HD LYS 11 -0.527 -7.461 -5.990 87 HE2 LYS 11 2HE LYS 11 -3.100 -9.006 -6.262 88 HE3 LYS 11 1HE LYS 11 -1.575 -9.646 -5.658 89 HZ1 LYS 11 1HZ LYS 11 -3.132 -7.441 -4.382 90 HZ2 LYS 11 2HZ LYS 11 -1.670 -8.050 -3.827 91 HZ3 LYS 11 3HZ LYS 11 -3.039 -9.025 -3.842 92 H ASP 12 HN ASP 12 0.299 -2.379 -5.983 93 HA ASP 12 HA ASP 12 2.166 -2.278 -8.226 94 HB2 ASP 12 2HB ASP 12 0.299 -0.562 -8.113 95 HB3 ASP 12 1HB ASP 12 1.023 0.034 -6.626 96 H ARG 13 HN ARG 13 4.240 -1.495 -7.830 97 HA ARG 13 HA ARG 13 5.554 -2.312 -5.531 98 HB2 ARG 13 2HB ARG 13 6.412 -0.132 -7.431 99 HB3 ARG 13 1HB ARG 13 7.448 -0.948 -6.277 100 HG2 ARG 13 2HG ARG 13 7.109 -3.057 -7.447 101 HG3 ARG 13 1HG ARG 13 6.059 -2.241 -8.605 102 HD2 ARG 13 2HD ARG 13 8.958 -1.626 -8.099 103 HD3 ARG 13 1HD ARG 13 8.317 -2.494 -9.494 104 HE ARG 13 HE ARG 13 6.976 -0.191 -9.613 105 HH11 ARG 13 1HH1 ARG 13 10.435 -0.804 -9.167 106 HH12 ARG 13 2HH1 ARG 13 10.940 0.593 -9.992 107 HH21 ARG 13 1HH2 ARG 13 7.698 1.778 -10.775 108 HH22 ARG 13 2HH2 ARG 13 9.354 2.067 -10.921 109 H ARG 14 HN ARG 14 4.111 0.792 -6.277 110 HA ARG 14 HA ARG 14 5.181 2.373 -4.230 111 HB2 ARG 14 2HB ARG 14 2.574 2.427 -5.703 112 HB3 ARG 14 1HB ARG 14 2.981 3.633 -4.494 113 HG2 ARG 14 2HG ARG 14 4.545 4.626 -5.809 114 HG3 ARG 14 1HG ARG 14 4.955 3.125 -6.641 115 HD2 ARG 14 2HD ARG 14 3.757 4.832 -8.041 116 HD3 ARG 14 1HD ARG 14 3.024 3.231 -7.980 117 HE ARG 14 HE ARG 14 2.060 5.373 -6.240 118 HH11 ARG 14 1HH1 ARG 14 1.501 3.071 -8.871 119 HH12 ARG 14 2HH1 ARG 14 -0.181 3.297 -8.926 120 HH21 ARG 14 1HH2 ARG 14 -0.282 5.719 -6.318 121 HH22 ARG 14 2HH2 ARG 14 -1.210 4.835 -7.446 122 H CYS 15 HN CYS 15 2.650 -0.028 -4.126 123 HA CYS 15 HA CYS 15 1.907 0.788 -1.410 124 HB2 CYS 15 2HB CYS 15 0.147 0.503 -3.158 125 HB3 CYS 15 1HB CYS 15 0.590 -1.193 -3.278 126 H LYS 16 HN LYS 16 4.060 -1.178 -2.902 127 HA LYS 16 HA LYS 16 3.555 -3.616 -1.465 128 HB2 LYS 16 2HB LYS 16 4.336 -3.459 -3.849 129 HB3 LYS 16 1HB LYS 16 5.906 -2.985 -3.224 130 HG2 LYS 16 2HG LYS 16 6.139 -5.103 -2.101 131 HG3 LYS 16 1HG LYS 16 4.514 -5.576 -2.599 132 HD2 LYS 16 2HD LYS 16 5.269 -5.288 -4.979 133 HD3 LYS 16 1HD LYS 16 6.907 -5.091 -4.365 134 HE2 LYS 16 2HE LYS 16 6.572 -7.387 -5.052 135 HE3 LYS 16 1HE LYS 16 6.743 -7.309 -3.299 136 HZ1 LYS 16 1HZ LYS 16 4.321 -7.460 -3.101 137 HZ2 LYS 16 2HZ LYS 16 4.909 -8.776 -3.958 138 HZ3 LYS 16 3HZ LYS 16 4.169 -7.513 -4.768 139 HA HYP 17 HA HYP 17 7.602 -2.375 0.899 140 HB2 HYP 17 1HB HYP 17 8.488 -0.604 -0.463 141 HB3 HYP 17 2HB HYP 17 8.361 0.109 1.156 142 HG HYP 17 HG HYP 17 6.362 1.217 0.617 143 HD22 HYP 17 1HD1 HYP 17 5.913 -0.234 -1.923 144 HD23 HYP 17 2HD1 HYP 17 4.763 0.090 -0.622 145 HD1 HYP 17 2HD HYP 17 6.472 1.526 -1.734 146 H LEU 18 HN LEU 18 4.549 -1.427 1.232 147 HA LEU 18 HA LEU 18 4.663 0.114 3.648 148 HB2 LEU 18 2HB LEU 18 2.348 -1.022 2.101 149 HB3 LEU 18 1HB LEU 18 2.196 0.032 3.488 150 HG LEU 18 HG LEU 18 3.476 0.815 0.848 151 HD11 LEU 18 1HD1 LEU 18 1.053 0.472 0.693 152 HD12 LEU 18 2HD1 LEU 18 1.488 2.174 0.552 153 HD13 LEU 18 3HD1 LEU 18 0.816 1.556 2.064 154 HD21 LEU 18 1HD2 LEU 18 4.417 2.011 2.757 155 HD22 LEU 18 2HD2 LEU 18 2.794 2.439 3.297 156 HD23 LEU 18 3HD2 LEU 18 3.411 3.072 1.771 157 H LYS 19 HN LYS 19 4.253 -0.576 5.607 158 HA LYS 19 HA LYS 19 4.652 -3.339 6.135 159 HB2 LYS 19 2HB LYS 19 4.215 -0.951 7.925 160 HB3 LYS 19 1HB LYS 19 4.226 -2.576 8.593 161 HG2 LYS 19 2HG LYS 19 6.415 -1.458 8.802 162 HG3 LYS 19 1HG LYS 19 6.504 -2.924 7.832 163 HD2 LYS 19 2HD LYS 19 6.280 -1.413 5.800 164 HD3 LYS 19 1HD LYS 19 6.533 -0.066 6.902 165 HE2 LYS 19 2HE LYS 19 8.706 -0.794 7.445 166 HE3 LYS 19 1HE LYS 19 8.459 -2.362 6.677 167 HZ1 LYS 19 1HZ LYS 19 8.236 -1.204 4.554 168 HZ2 LYS 19 2HZ LYS 19 9.756 -0.980 5.240 169 HZ3 LYS 19 3HZ LYS 19 8.626 0.266 5.275 170 H CYS 20 HN CYS 20 1.936 -1.419 5.712 171 HA CYS 20 HA CYS 20 0.034 -3.115 6.946 172 HB2 CYS 20 2HB CYS 20 -0.548 -0.839 6.576 173 HB3 CYS 20 1HB CYS 20 -0.114 -0.936 4.876 174 H CYS 21 HN CYS 21 1.697 -3.136 3.857 175 HA CYS 21 HA CYS 21 -0.163 -5.058 2.746 176 HB2 CYS 21 2HB CYS 21 0.773 -3.419 1.190 177 HB3 CYS 21 1HB CYS 21 2.409 -3.896 1.629 178 H ALA 22 HN ALA 22 3.043 -4.892 4.110 179 HA ALA 22 HA ALA 22 3.712 -7.609 3.635 180 HB1 ALA 22 2HB ALA 22 4.861 -5.668 5.649 181 HB2 ALA 22 3HB ALA 22 5.424 -5.888 3.993 182 HB3 ALA 22 1HB ALA 22 5.584 -7.200 5.162 183 HN1 NH2 23 2H ALA 22 2.521 -7.456 7.545 184 HN2 NH2 23 1H ALA 22 3.405 -6.149 6.849 Start of MODEL 17 1 H1 ARG 1 1HT ARG 1 -3.485 9.761 1.676 2 H2 ARG 1 2HT ARG 1 -2.540 11.061 1.273 3 H3 ARG 1 3HT ARG 1 -1.996 9.937 2.409 4 HA ARG 1 HA ARG 1 -2.522 9.383 -0.467 5 HB2 ARG 1 2HB ARG 1 -0.118 9.146 -0.732 6 HB3 ARG 1 1HB ARG 1 -0.488 10.770 -0.155 7 HG2 ARG 1 2HG ARG 1 0.188 10.147 2.079 8 HG3 ARG 1 1HG ARG 1 0.459 8.482 1.567 9 HD2 ARG 1 2HD ARG 1 2.193 9.332 -0.004 10 HD3 ARG 1 1HD ARG 1 1.966 10.941 0.685 11 HE ARG 1 HE ARG 1 2.435 9.462 2.855 12 HH11 ARG 1 1HH1 ARG 1 4.237 9.843 -0.195 13 HH12 ARG 1 2HH1 ARG 1 5.719 9.369 0.464 14 HH21 ARG 1 1HH2 ARG 1 4.541 8.781 3.750 15 HH22 ARG 1 2HH2 ARG 1 5.901 8.751 2.712 16 H ASP 2 HN ASP 2 -3.343 7.914 2.159 17 HA ASP 2 HA ASP 2 -1.538 5.748 2.218 18 HB2 ASP 2 2HB ASP 2 -4.090 6.238 3.685 19 HB3 ASP 2 1HB ASP 2 -3.363 4.634 3.685 20 H CYS 3 HN CYS 3 -1.413 4.070 1.225 21 HA CYS 3 HA CYS 3 -3.330 3.413 -0.837 22 HB2 CYS 3 2HB CYS 3 -0.954 3.465 -1.374 23 HB3 CYS 3 1HB CYS 3 -0.623 2.283 -0.117 24 H CYS 4 HN CYS 4 -2.639 2.530 2.372 25 HA CYS 4 HA CYS 4 -3.698 -0.132 2.056 26 HB2 CYS 4 2HB CYS 4 -3.276 -0.364 4.484 27 HB3 CYS 4 1HB CYS 4 -1.847 0.072 3.560 28 H THR 5 HN THR 5 -5.143 2.722 2.050 29 HA THR 5 HA THR 5 -7.257 2.263 3.860 30 HB THR 5 HB THR 5 -7.218 3.983 1.347 31 HG1 THR 5 1HG THR 5 -6.302 4.394 4.004 32 HG21 THR 5 1HG2 THR 5 -8.884 4.128 3.866 33 HG22 THR 5 2HG2 THR 5 -9.455 3.570 2.301 34 HG23 THR 5 3HG2 THR 5 -8.985 5.263 2.515 35 HA HYP 6 HA HYP 6 -8.714 -1.176 1.430 36 HB2 HYP 6 1HB HYP 6 -9.854 -2.211 3.080 37 HB3 HYP 6 2HB HYP 6 -11.235 -1.134 2.835 38 HG HYP 6 HG HYP 6 -10.527 -0.471 5.008 39 HD22 HYP 6 1HD1 HYP 6 -8.887 1.477 4.472 40 HD23 HYP 6 2HD1 HYP 6 -10.390 1.462 3.505 41 HD1 HYP 6 2HD HYP 6 -7.922 -0.379 4.264 42 HA HYP 7 HA HYP 7 -9.497 -2.520 0.100 43 HB2 HYP 7 1HB HYP 7 -10.418 -3.437 -1.766 44 HB3 HYP 7 2HB HYP 7 -9.436 -2.364 -2.769 45 HG HYP 7 HG HYP 7 -11.532 -1.515 -3.308 46 HD22 HYP 7 1HD1 HYP 7 -12.065 0.225 -1.329 47 HD23 HYP 7 2HD1 HYP 7 -10.527 0.392 -2.213 48 HD1 HYP 7 2HD HYP 7 -13.199 -1.517 -1.885 49 H LYS 8 HN LYS 8 -7.402 -2.873 0.051 50 HA LYS 8 HA LYS 8 -5.658 -0.674 -0.297 51 HB2 LYS 8 2HB LYS 8 -4.974 -3.587 0.003 52 HB3 LYS 8 1HB LYS 8 -3.892 -2.230 0.278 53 HG2 LYS 8 2HG LYS 8 -5.447 -1.492 2.116 54 HG3 LYS 8 1HG LYS 8 -6.311 -2.995 1.881 55 HD2 LYS 8 2HD LYS 8 -3.382 -2.816 2.580 56 HD3 LYS 8 1HD LYS 8 -4.678 -3.156 3.723 57 HE2 LYS 8 2HE LYS 8 -3.958 -4.846 1.319 58 HE3 LYS 8 1HE LYS 8 -3.520 -5.199 2.983 59 HZ1 LYS 8 1HZ LYS 8 -5.867 -5.385 3.532 60 HZ2 LYS 8 2HZ LYS 8 -5.462 -6.459 2.297 61 HZ3 LYS 8 3HZ LYS 8 -6.305 -5.052 1.944 62 H LYS 9 HN LYS 9 -4.180 -0.306 -1.838 63 HA LYS 9 HA LYS 9 -4.732 -1.534 -4.440 64 HB2 LYS 9 2HB LYS 9 -3.256 0.999 -3.709 65 HB3 LYS 9 1HB LYS 9 -3.654 0.480 -5.340 66 HG2 LYS 9 2HG LYS 9 -5.998 0.727 -4.920 67 HG3 LYS 9 1HG LYS 9 -5.700 1.049 -3.211 68 HD2 LYS 9 2HD LYS 9 -4.474 3.089 -3.838 69 HD3 LYS 9 1HD LYS 9 -4.844 2.768 -5.535 70 HE2 LYS 9 2HE LYS 9 -7.214 2.955 -5.089 71 HE3 LYS 9 1HE LYS 9 -6.902 3.157 -3.366 72 HZ1 LYS 9 1HZ LYS 9 -5.752 5.216 -3.855 73 HZ2 LYS 9 2HZ LYS 9 -7.308 5.291 -4.458 74 HZ3 LYS 9 3HZ LYS 9 -6.020 5.032 -5.494 75 H CYS 10 HN CYS 10 -3.258 -2.982 -2.579 76 HA CYS 10 HA CYS 10 -0.454 -2.738 -2.801 77 HB2 CYS 10 2HB CYS 10 -2.178 -5.027 -1.881 78 HB3 CYS 10 1HB CYS 10 -0.424 -5.048 -1.825 79 H LYS 11 HN LYS 11 -2.397 -3.460 -5.249 80 HA LYS 11 HA LYS 11 -1.026 -5.666 -6.482 81 HB2 LYS 11 2HB LYS 11 -2.542 -3.429 -7.841 82 HB3 LYS 11 1HB LYS 11 -2.152 -4.995 -8.518 83 HG2 LYS 11 2HG LYS 11 -4.041 -4.471 -6.249 84 HG3 LYS 11 1HG LYS 11 -4.502 -4.813 -7.914 85 HD2 LYS 11 2HD LYS 11 -3.323 -7.022 -7.658 86 HD3 LYS 11 1HD LYS 11 -3.148 -6.643 -5.942 87 HE2 LYS 11 2HE LYS 11 -5.732 -6.913 -7.477 88 HE3 LYS 11 1HE LYS 11 -5.107 -8.026 -6.269 89 HZ1 LYS 11 1HZ LYS 11 -5.340 -6.340 -4.605 90 HZ2 LYS 11 2HZ LYS 11 -6.816 -6.573 -5.359 91 HZ3 LYS 11 3HZ LYS 11 -5.908 -5.205 -5.716 92 H ASP 12 HN ASP 12 -0.640 -2.276 -6.119 93 HA ASP 12 HA ASP 12 1.311 -1.994 -8.235 94 HB2 ASP 12 2HB ASP 12 -0.365 -0.209 -7.646 95 HB3 ASP 12 1HB ASP 12 0.484 -0.002 -6.118 96 H ARG 13 HN ARG 13 3.450 -2.095 -7.915 97 HA ARG 13 HA ARG 13 4.461 -3.293 -5.595 98 HB2 ARG 13 2HB ARG 13 6.655 -3.048 -6.534 99 HB3 ARG 13 1HB ARG 13 5.527 -3.603 -7.762 100 HG2 ARG 13 2HG ARG 13 5.462 -1.396 -8.751 101 HG3 ARG 13 1HG ARG 13 6.461 -0.753 -7.448 102 HD2 ARG 13 2HD ARG 13 7.289 -2.833 -9.473 103 HD3 ARG 13 1HD ARG 13 7.801 -1.144 -9.436 104 HE ARG 13 HE ARG 13 8.367 -2.854 -7.131 105 HH11 ARG 13 1HH1 ARG 13 9.635 -1.030 -9.889 106 HH12 ARG 13 2HH1 ARG 13 11.249 -1.105 -9.375 107 HH21 ARG 13 1HH2 ARG 13 10.582 -2.957 -6.423 108 HH22 ARG 13 2HH2 ARG 13 11.807 -2.263 -7.357 109 H ARG 14 HN ARG 14 4.038 0.069 -6.316 110 HA ARG 14 HA ARG 14 6.068 1.003 -4.541 111 HB2 ARG 14 2HB ARG 14 3.666 2.359 -5.753 112 HB3 ARG 14 1HB ARG 14 4.869 3.190 -4.775 113 HG2 ARG 14 2HG ARG 14 6.552 2.857 -6.387 114 HG3 ARG 14 1HG ARG 14 5.577 1.681 -7.274 115 HD2 ARG 14 2HD ARG 14 4.884 4.590 -6.928 116 HD3 ARG 14 1HD ARG 14 5.680 3.916 -8.354 117 HE ARG 14 HE ARG 14 3.384 2.428 -7.889 118 HH11 ARG 14 1HH1 ARG 14 4.095 5.787 -8.715 119 HH12 ARG 14 2HH1 ARG 14 2.704 5.996 -9.672 120 HH21 ARG 14 1HH2 ARG 14 1.552 2.667 -9.224 121 HH22 ARG 14 2HH2 ARG 14 1.204 4.169 -9.977 122 H CYS 15 HN CYS 15 3.024 -0.325 -4.161 123 HA CYS 15 HA CYS 15 2.487 0.910 -1.584 124 HB2 CYS 15 2HB CYS 15 0.748 0.649 -3.351 125 HB3 CYS 15 1HB CYS 15 0.920 -1.092 -3.216 126 H LYS 16 HN LYS 16 4.395 -1.508 -2.727 127 HA LYS 16 HA LYS 16 3.522 -3.639 -0.991 128 HB2 LYS 16 2HB LYS 16 4.269 -4.124 -3.266 129 HB3 LYS 16 1HB LYS 16 5.853 -3.474 -2.895 130 HG2 LYS 16 2HG LYS 16 6.198 -5.268 -1.272 131 HG3 LYS 16 1HG LYS 16 4.613 -5.929 -1.681 132 HD2 LYS 16 2HD LYS 16 5.343 -6.195 -4.014 133 HD3 LYS 16 1HD LYS 16 6.938 -5.579 -3.571 134 HE2 LYS 16 2HE LYS 16 7.170 -7.431 -1.972 135 HE3 LYS 16 1HE LYS 16 5.612 -8.056 -2.503 136 HZ1 LYS 16 1HZ LYS 16 7.988 -7.717 -4.242 137 HZ2 LYS 16 2HZ LYS 16 6.501 -8.364 -4.697 138 HZ3 LYS 16 3HZ LYS 16 7.456 -9.173 -3.565 139 HA HYP 17 HA HYP 17 7.847 -2.544 1.167 140 HB2 HYP 17 1HB HYP 17 8.956 -0.921 -0.145 141 HB3 HYP 17 2HB HYP 17 8.479 0.072 1.249 142 HG HYP 17 HG HYP 17 6.475 0.749 0.184 143 HD22 HYP 17 1HD1 HYP 17 7.249 -1.256 -1.965 144 HD23 HYP 17 2HD1 HYP 17 5.649 -0.525 -1.691 145 HD1 HYP 17 2HD HYP 17 7.096 1.152 -1.979 146 H LEU 18 HN LEU 18 4.839 -1.143 1.166 147 HA LEU 18 HA LEU 18 4.971 0.395 3.558 148 HB2 LEU 18 2HB LEU 18 2.627 -0.526 1.909 149 HB3 LEU 18 1HB LEU 18 2.543 0.635 3.214 150 HG LEU 18 HG LEU 18 4.016 1.032 0.590 151 HD11 LEU 18 1HD1 LEU 18 2.297 2.698 0.153 152 HD12 LEU 18 2HD1 LEU 18 1.510 2.304 1.680 153 HD13 LEU 18 3HD1 LEU 18 1.572 1.107 0.390 154 HD21 LEU 18 1HD2 LEU 18 5.147 2.179 2.408 155 HD22 LEU 18 2HD2 LEU 18 3.618 2.884 2.935 156 HD23 LEU 18 3HD2 LEU 18 4.306 3.339 1.378 157 H LYS 19 HN LYS 19 4.746 -0.314 5.490 158 HA LYS 19 HA LYS 19 4.304 -3.099 6.049 159 HB2 LYS 19 2HB LYS 19 4.753 -0.737 7.888 160 HB3 LYS 19 1HB LYS 19 4.713 -2.419 8.408 161 HG2 LYS 19 2HG LYS 19 6.636 -2.923 7.021 162 HG3 LYS 19 1HG LYS 19 6.661 -1.266 6.426 163 HD2 LYS 19 2HD LYS 19 7.159 -0.455 8.661 164 HD3 LYS 19 1HD LYS 19 7.059 -2.097 9.302 165 HE2 LYS 19 2HE LYS 19 8.918 -2.773 7.864 166 HE3 LYS 19 1HE LYS 19 9.013 -1.144 7.209 167 HZ1 LYS 19 1HZ LYS 19 10.662 -1.573 8.910 168 HZ2 LYS 19 2HZ LYS 19 9.458 -1.860 10.055 169 HZ3 LYS 19 3HZ LYS 19 9.634 -0.326 9.372 170 H CYS 20 HN CYS 20 2.389 -0.436 5.641 171 HA CYS 20 HA CYS 20 0.185 -1.320 7.286 172 HB2 CYS 20 2HB CYS 20 0.721 1.128 6.667 173 HB3 CYS 20 1HB CYS 20 0.125 0.745 5.062 174 H CYS 21 HN CYS 21 1.606 -2.343 4.462 175 HA CYS 21 HA CYS 21 -0.885 -3.433 3.381 176 HB2 CYS 21 2HB CYS 21 0.416 -2.138 1.668 177 HB3 CYS 21 1HB CYS 21 1.831 -3.083 2.081 178 H ALA 22 HN ALA 22 -1.194 -5.470 4.034 179 HA ALA 22 HA ALA 22 1.137 -7.142 4.575 180 HB1 ALA 22 2HB ALA 22 -0.430 -8.609 5.765 181 HB2 ALA 22 3HB ALA 22 -1.764 -7.549 5.313 182 HB3 ALA 22 1HB ALA 22 -0.502 -6.962 6.393 183 HN1 NH2 23 2H ALA 22 0.641 -8.560 1.429 184 HN2 NH2 23 1H ALA 22 1.619 -7.555 2.446 Start of MODEL 18 1 H1 ARG 1 1HT ARG 1 -1.774 10.745 -2.470 2 H2 ARG 1 2HT ARG 1 -0.848 9.357 -2.145 3 H3 ARG 1 3HT ARG 1 -0.872 10.604 -1.048 4 HA ARG 1 HA ARG 1 -3.178 10.219 -0.536 5 HB2 ARG 1 2HB ARG 1 -4.330 8.325 -1.453 6 HB3 ARG 1 1HB ARG 1 -3.792 9.312 -2.817 7 HG2 ARG 1 2HG ARG 1 -1.979 7.754 -3.232 8 HG3 ARG 1 1HG ARG 1 -2.398 6.846 -1.782 9 HD2 ARG 1 2HD ARG 1 -4.663 6.472 -2.866 10 HD3 ARG 1 1HD ARG 1 -3.930 7.078 -4.354 11 HE ARG 1 HE ARG 1 -2.188 5.213 -3.558 12 HH11 ARG 1 1HH1 ARG 1 -5.681 5.110 -4.082 13 HH12 ARG 1 2HH1 ARG 1 -5.751 3.435 -4.360 14 HH21 ARG 1 1HH2 ARG 1 -2.252 2.895 -3.908 15 HH22 ARG 1 2HH2 ARG 1 -3.713 2.133 -4.266 16 H ASP 2 HN ASP 2 -3.718 8.533 1.070 17 HA ASP 2 HA ASP 2 -1.411 6.912 1.781 18 HB2 ASP 2 2HB ASP 2 -2.507 6.402 3.868 19 HB3 ASP 2 1HB ASP 2 -2.896 8.109 3.604 20 H CYS 3 HN CYS 3 -1.606 4.646 1.787 21 HA CYS 3 HA CYS 3 -3.774 3.751 0.022 22 HB2 CYS 3 2HB CYS 3 -1.467 3.521 -0.898 23 HB3 CYS 3 1HB CYS 3 -1.080 2.428 0.424 24 H CYS 4 HN CYS 4 -2.538 3.555 3.143 25 HA CYS 4 HA CYS 4 -3.150 0.901 3.842 26 HB2 CYS 4 2HB CYS 4 -3.063 3.372 5.579 27 HB3 CYS 4 1HB CYS 4 -3.055 1.710 6.169 28 H THR 5 HN THR 5 -5.122 3.813 3.752 29 HA THR 5 HA THR 5 -7.348 2.559 4.878 30 HB THR 5 HB THR 5 -7.085 5.046 3.136 31 HG1 THR 5 1HG THR 5 -6.040 5.471 4.753 32 HG21 THR 5 1HG2 THR 5 -9.384 4.163 3.185 33 HG22 THR 5 2HG2 THR 5 -9.282 5.656 4.140 34 HG23 THR 5 3HG2 THR 5 -9.302 4.068 4.934 35 HA HYP 6 HA HYP 6 -7.770 -0.167 1.285 36 HB2 HYP 6 1HB HYP 6 -8.813 -1.853 2.409 37 HB3 HYP 6 2HB HYP 6 -10.350 -0.984 2.308 38 HG HYP 6 HG HYP 6 -9.933 -0.942 4.679 39 HD22 HYP 6 1HD1 HYP 6 -8.770 1.356 4.939 40 HD23 HYP 6 2HD1 HYP 6 -10.127 1.344 3.775 41 HD1 HYP 6 2HD HYP 6 -7.416 -0.066 4.415 42 HA HYP 7 HA HYP 7 -8.964 -1.622 -0.077 43 HB2 HYP 7 1HB HYP 7 -10.298 -2.329 -1.779 44 HB3 HYP 7 2HB HYP 7 -9.258 -1.450 -2.902 45 HG HYP 7 HG HYP 7 -11.184 -0.191 -3.237 46 HD22 HYP 7 1HD1 HYP 7 -11.248 1.541 -1.175 47 HD23 HYP 7 2HD1 HYP 7 -9.775 1.445 -2.169 48 HD1 HYP 7 2HD HYP 7 -12.510 0.112 -1.194 49 H LYS 8 HN LYS 8 -6.962 -2.179 -0.356 50 HA LYS 8 HA LYS 8 -5.213 -0.404 -1.841 51 HB2 LYS 8 2HB LYS 8 -3.436 -1.319 -0.208 52 HB3 LYS 8 1HB LYS 8 -4.497 -0.017 0.295 53 HG2 LYS 8 2HG LYS 8 -5.841 -1.498 1.522 54 HG3 LYS 8 1HG LYS 8 -4.949 -2.909 0.931 55 HD2 LYS 8 2HD LYS 8 -2.952 -2.105 2.116 56 HD3 LYS 8 1HD LYS 8 -3.788 -0.615 2.546 57 HE2 LYS 8 2HE LYS 8 -3.738 -2.025 4.477 58 HE3 LYS 8 1HE LYS 8 -5.390 -1.975 3.876 59 HZ1 LYS 8 1HZ LYS 8 -4.780 -4.179 4.502 60 HZ2 LYS 8 2HZ LYS 8 -3.427 -4.177 3.510 61 HZ3 LYS 8 3HZ LYS 8 -4.973 -4.173 2.824 62 H LYS 9 HN LYS 9 -3.774 -1.247 -3.138 63 HA LYS 9 HA LYS 9 -3.886 -4.153 -3.516 64 HB2 LYS 9 2HB LYS 9 -3.396 -1.990 -5.564 65 HB3 LYS 9 1HB LYS 9 -3.289 -3.715 -5.869 66 HG2 LYS 9 2HG LYS 9 -5.779 -2.261 -5.010 67 HG3 LYS 9 1HG LYS 9 -5.379 -2.722 -6.666 68 HD2 LYS 9 2HD LYS 9 -5.343 -5.079 -5.986 69 HD3 LYS 9 1HD LYS 9 -5.775 -4.605 -4.342 70 HE2 LYS 9 2HE LYS 9 -7.739 -5.347 -5.534 71 HE3 LYS 9 1HE LYS 9 -7.852 -3.627 -5.180 72 HZ1 LYS 9 1HZ LYS 9 -7.088 -4.827 -7.783 73 HZ2 LYS 9 2HZ LYS 9 -7.154 -3.179 -7.479 74 HZ3 LYS 9 3HZ LYS 9 -8.565 -4.094 -7.439 75 H CYS 10 HN CYS 10 -2.122 -5.003 -2.728 76 HA CYS 10 HA CYS 10 0.345 -3.527 -2.615 77 HB2 CYS 10 2HB CYS 10 -0.469 -5.154 -0.847 78 HB3 CYS 10 1HB CYS 10 -0.164 -6.446 -1.997 79 H LYS 11 HN LYS 11 -1.294 -5.011 -4.946 80 HA LYS 11 HA LYS 11 0.535 -6.502 -6.468 81 HB2 LYS 11 2HB LYS 11 -1.894 -6.494 -6.866 82 HB3 LYS 11 1HB LYS 11 -1.820 -4.811 -7.331 83 HG2 LYS 11 2HG LYS 11 -2.022 -6.230 -9.292 84 HG3 LYS 11 1HG LYS 11 -0.474 -5.397 -9.289 85 HD2 LYS 11 2HD LYS 11 -0.209 -7.714 -9.988 86 HD3 LYS 11 1HD LYS 11 0.620 -7.435 -8.461 87 HE2 LYS 11 2HE LYS 11 -0.556 -9.561 -8.405 88 HE3 LYS 11 1HE LYS 11 -1.284 -8.444 -7.264 89 HZ1 LYS 11 1HZ LYS 11 -3.074 -8.039 -8.855 90 HZ2 LYS 11 2HZ LYS 11 -2.916 -9.680 -8.507 91 HZ3 LYS 11 3HZ LYS 11 -2.326 -9.081 -9.964 92 H ASP 12 HN ASP 12 -0.027 -3.065 -6.089 93 HA ASP 12 HA ASP 12 2.001 -2.612 -8.127 94 HB2 ASP 12 2HB ASP 12 -0.162 -1.381 -8.425 95 HB3 ASP 12 1HB ASP 12 0.168 -0.540 -6.908 96 H ARG 13 HN ARG 13 3.729 -1.335 -7.676 97 HA ARG 13 HA ARG 13 4.963 -1.793 -5.252 98 HB2 ARG 13 2HB ARG 13 6.756 -0.319 -6.043 99 HB3 ARG 13 1HB ARG 13 6.232 -1.444 -7.280 100 HG2 ARG 13 2HG ARG 13 4.938 0.362 -8.337 101 HG3 ARG 13 1HG ARG 13 5.522 1.471 -7.095 102 HD2 ARG 13 2HD ARG 13 7.237 -0.056 -9.048 103 HD3 ARG 13 1HD ARG 13 6.843 1.658 -9.151 104 HE ARG 13 HE ARG 13 7.987 1.793 -6.896 105 HH11 ARG 13 1HH1 ARG 13 8.971 -0.542 -9.381 106 HH12 ARG 13 2HH1 ARG 13 10.584 -0.631 -8.855 107 HH21 ARG 13 1HH2 ARG 13 10.253 1.685 -6.183 108 HH22 ARG 13 2HH2 ARG 13 11.325 0.666 -6.996 109 H ARG 14 HN ARG 14 2.925 0.854 -6.210 110 HA ARG 14 HA ARG 14 3.653 2.832 -4.380 111 HB2 ARG 14 2HB ARG 14 0.914 2.146 -5.459 112 HB3 ARG 14 1HB ARG 14 1.278 3.604 -4.552 113 HG2 ARG 14 2HG ARG 14 2.764 4.370 -6.285 114 HG3 ARG 14 1HG ARG 14 2.581 2.845 -7.152 115 HD2 ARG 14 2HD ARG 14 0.177 3.330 -7.433 116 HD3 ARG 14 1HD ARG 14 0.412 4.883 -6.634 117 HE ARG 14 HE ARG 14 2.216 4.924 -8.648 118 HH11 ARG 14 1HH1 ARG 14 -1.326 4.404 -8.565 119 HH12 ARG 14 2HH1 ARG 14 -1.548 4.979 -10.149 120 HH21 ARG 14 1HH2 ARG 14 1.815 5.689 -10.878 121 HH22 ARG 14 2HH2 ARG 14 0.202 5.716 -11.439 122 H CYS 15 HN CYS 15 1.896 -0.140 -3.846 123 HA CYS 15 HA CYS 15 1.554 0.708 -1.055 124 HB2 CYS 15 2HB CYS 15 -0.231 -1.162 -2.605 125 HB3 CYS 15 1HB CYS 15 -0.479 -0.564 -0.965 126 H LYS 16 HN LYS 16 3.636 -0.933 -2.688 127 HA LYS 16 HA LYS 16 3.239 -3.477 -1.345 128 HB2 LYS 16 2HB LYS 16 3.597 -3.504 -3.804 129 HB3 LYS 16 1HB LYS 16 5.220 -2.882 -3.535 130 HG2 LYS 16 2HG LYS 16 5.959 -4.874 -2.562 131 HG3 LYS 16 1HG LYS 16 4.317 -5.444 -2.278 132 HD2 LYS 16 2HD LYS 16 5.307 -6.682 -4.113 133 HD3 LYS 16 1HD LYS 16 3.997 -5.674 -4.707 134 HE2 LYS 16 2HE LYS 16 5.647 -4.029 -5.490 135 HE3 LYS 16 1HE LYS 16 6.942 -5.071 -4.899 136 HZ1 LYS 16 1HZ LYS 16 4.992 -5.723 -7.030 137 HZ2 LYS 16 2HZ LYS 16 6.121 -6.806 -6.423 138 HZ3 LYS 16 3HZ LYS 16 6.629 -5.426 -7.245 139 HA HYP 17 HA HYP 17 7.238 -2.373 0.758 140 HB2 HYP 17 1HB HYP 17 8.196 -0.730 -0.685 141 HB3 HYP 17 2HB HYP 17 8.211 0.048 0.908 142 HG HYP 17 HG HYP 17 6.365 1.362 0.402 143 HD22 HYP 17 1HD1 HYP 17 5.425 -0.130 -1.954 144 HD23 HYP 17 2HD1 HYP 17 4.509 0.302 -0.506 145 HD1 HYP 17 2HD HYP 17 6.294 1.684 -1.883 146 H LEU 18 HN LEU 18 4.317 -1.363 1.335 147 HA LEU 18 HA LEU 18 4.755 0.157 3.789 148 HB2 LEU 18 2HB LEU 18 2.215 -0.505 2.309 149 HB3 LEU 18 1HB LEU 18 2.333 0.531 3.714 150 HG LEU 18 HG LEU 18 3.562 1.134 1.006 151 HD11 LEU 18 1HD1 LEU 18 1.833 2.833 0.846 152 HD12 LEU 18 2HD1 LEU 18 1.152 2.300 2.383 153 HD13 LEU 18 3HD1 LEU 18 1.120 1.224 0.986 154 HD21 LEU 18 1HD2 LEU 18 3.352 2.801 3.515 155 HD22 LEU 18 2HD2 LEU 18 3.947 3.356 1.951 156 HD23 LEU 18 3HD2 LEU 18 4.837 2.122 2.839 157 H LYS 19 HN LYS 19 4.007 -0.540 5.767 158 HA LYS 19 HA LYS 19 3.943 -3.365 6.175 159 HB2 LYS 19 2HB LYS 19 3.292 -1.169 8.136 160 HB3 LYS 19 1HB LYS 19 3.589 -2.856 8.526 161 HG2 LYS 19 2HG LYS 19 5.893 -2.517 7.488 162 HG3 LYS 19 1HG LYS 19 5.522 -0.797 7.534 163 HD2 LYS 19 2HD LYS 19 6.800 -1.427 9.495 164 HD3 LYS 19 1HD LYS 19 5.164 -0.961 9.963 165 HE2 LYS 19 2HE LYS 19 5.997 -2.992 11.120 166 HE3 LYS 19 1HE LYS 19 4.519 -3.285 10.217 167 HZ1 LYS 19 1HZ LYS 19 7.259 -3.916 9.260 168 HZ2 LYS 19 2HZ LYS 19 5.827 -4.363 8.482 169 HZ3 LYS 19 3HZ LYS 19 6.228 -5.013 9.977 170 H CYS 20 HN CYS 20 1.659 -1.096 5.401 171 HA CYS 20 HA CYS 20 -0.628 -2.351 6.522 172 HB2 CYS 20 2HB CYS 20 -0.452 -0.493 4.137 173 HB3 CYS 20 1HB CYS 20 -1.892 -0.835 5.096 174 H CYS 21 HN CYS 21 1.481 -3.225 4.018 175 HA CYS 21 HA CYS 21 -0.508 -4.793 2.613 176 HB2 CYS 21 2HB CYS 21 1.128 -3.849 1.136 177 HB3 CYS 21 1HB CYS 21 2.456 -4.365 2.173 178 H ALA 22 HN ALA 22 -1.034 -6.674 3.416 179 HA ALA 22 HA ALA 22 0.878 -8.086 5.114 180 HB1 ALA 22 2HB ALA 22 -1.355 -7.740 6.052 181 HB2 ALA 22 3HB ALA 22 -1.041 -9.460 5.805 182 HB3 ALA 22 1HB ALA 22 -2.071 -8.579 4.677 183 HN1 NH2 23 2H ALA 22 -0.588 -10.518 2.208 184 HN2 NH2 23 1H ALA 22 -1.643 -9.627 3.233 Start of MODEL 19 1 H1 ARG 1 1HT ARG 1 -0.965 9.789 -1.690 2 H2 ARG 1 2HT ARG 1 -2.497 9.424 -1.080 3 H3 ARG 1 3HT ARG 1 -1.543 8.212 -1.762 4 HA ARG 1 HA ARG 1 0.085 8.398 -0.102 5 HB2 ARG 1 2HB ARG 1 -0.381 9.673 1.946 6 HB3 ARG 1 1HB ARG 1 -0.140 10.712 0.545 7 HG2 ARG 1 2HG ARG 1 -2.542 11.070 0.389 8 HG3 ARG 1 1HG ARG 1 -2.808 9.956 1.731 9 HD2 ARG 1 2HD ARG 1 -1.233 12.521 1.882 10 HD3 ARG 1 1HD ARG 1 -2.908 12.337 2.405 11 HE ARG 1 HE ARG 1 -0.934 10.562 3.597 12 HH11 ARG 1 1HH1 ARG 1 -2.936 13.440 3.983 13 HH12 ARG 1 2HH1 ARG 1 -2.727 13.533 5.659 14 HH21 ARG 1 1HH2 ARG 1 -0.663 10.644 5.872 15 HH22 ARG 1 2HH2 ARG 1 -1.397 11.872 6.799 16 H ASP 2 HN ASP 2 -3.264 7.775 -0.390 17 HA ASP 2 HA ASP 2 -3.429 6.487 2.168 18 HB2 ASP 2 2HB ASP 2 -5.736 5.966 1.638 19 HB3 ASP 2 1HB ASP 2 -5.423 7.650 1.277 20 H CYS 3 HN CYS 3 -2.730 4.618 2.523 21 HA CYS 3 HA CYS 3 -2.704 2.659 0.329 22 HB2 CYS 3 2HB CYS 3 -0.444 3.364 1.014 23 HB3 CYS 3 1HB CYS 3 -0.788 2.831 2.655 24 H CYS 4 HN CYS 4 -3.699 3.349 3.543 25 HA CYS 4 HA CYS 4 -4.453 0.553 3.933 26 HB2 CYS 4 2HB CYS 4 -4.525 2.860 5.891 27 HB3 CYS 4 1HB CYS 4 -4.822 1.166 6.268 28 H THR 5 HN THR 5 -5.741 3.523 2.938 29 HA THR 5 HA THR 5 -8.378 3.146 3.776 30 HB THR 5 HB THR 5 -7.380 4.671 1.360 31 HG1 THR 5 1HG THR 5 -7.863 5.520 4.017 32 HG21 THR 5 1HG2 THR 5 -9.789 4.318 1.406 33 HG22 THR 5 2HG2 THR 5 -9.432 6.022 1.752 34 HG23 THR 5 3HG2 THR 5 -9.863 4.905 3.058 35 HA HYP 6 HA HYP 6 -9.178 -0.062 0.748 36 HB2 HYP 6 1HB HYP 6 -10.756 -1.256 1.900 37 HB3 HYP 6 2HB HYP 6 -11.970 0.001 1.614 38 HG HYP 6 HG HYP 6 -11.599 0.145 3.989 39 HD22 HYP 6 1HD1 HYP 6 -9.917 2.106 4.050 40 HD23 HYP 6 2HD1 HYP 6 -11.246 2.303 2.869 41 HD1 HYP 6 2HD HYP 6 -8.937 0.361 3.736 42 HA HYP 7 HA HYP 7 -9.863 -1.168 -0.773 43 HB2 HYP 7 1HB HYP 7 -10.450 -2.025 -2.821 44 HB3 HYP 7 2HB HYP 7 -9.753 -0.646 -3.683 45 HG HYP 7 HG HYP 7 -12.113 -0.328 -3.894 46 HD22 HYP 7 1HD1 HYP 7 -12.418 1.447 -1.928 47 HD23 HYP 7 2HD1 HYP 7 -11.085 1.716 -3.079 48 HD1 HYP 7 2HD HYP 7 -13.458 -0.847 -2.492 49 H LYS 8 HN LYS 8 -7.843 -1.651 -0.601 50 HA LYS 8 HA LYS 8 -5.849 0.221 -1.573 51 HB2 LYS 8 2HB LYS 8 -4.428 -0.988 0.199 52 HB3 LYS 8 1HB LYS 8 -5.635 0.173 0.735 53 HG2 LYS 8 2HG LYS 8 -7.143 -1.518 1.278 54 HG3 LYS 8 1HG LYS 8 -6.112 -2.788 0.599 55 HD2 LYS 8 2HD LYS 8 -5.547 -1.015 2.998 56 HD3 LYS 8 1HD LYS 8 -6.069 -2.693 3.077 57 HE2 LYS 8 2HE LYS 8 -4.000 -3.358 1.905 58 HE3 LYS 8 1HE LYS 8 -3.477 -1.674 1.926 59 HZ1 LYS 8 1HZ LYS 8 -4.050 -3.317 4.316 60 HZ2 LYS 8 2HZ LYS 8 -3.542 -1.732 4.339 61 HZ3 LYS 8 3HZ LYS 8 -2.510 -2.928 3.773 62 H LYS 9 HN LYS 9 -4.192 -0.470 -2.759 63 HA LYS 9 HA LYS 9 -4.393 -3.234 -3.727 64 HB2 LYS 9 2HB LYS 9 -3.222 -0.873 -5.224 65 HB3 LYS 9 1HB LYS 9 -3.516 -2.476 -5.867 66 HG2 LYS 9 2HG LYS 9 -5.636 -0.514 -4.988 67 HG3 LYS 9 1HG LYS 9 -5.165 -0.833 -6.652 68 HD2 LYS 9 2HD LYS 9 -6.332 -2.902 -4.774 69 HD3 LYS 9 1HD LYS 9 -7.273 -1.969 -5.932 70 HE2 LYS 9 2HE LYS 9 -5.947 -2.921 -7.765 71 HE3 LYS 9 1HE LYS 9 -5.016 -3.859 -6.601 72 HZ1 LYS 9 1HZ LYS 9 -7.939 -4.105 -7.072 73 HZ2 LYS 9 2HZ LYS 9 -7.076 -5.024 -5.979 74 HZ3 LYS 9 3HZ LYS 9 -6.784 -5.179 -7.626 75 H CYS 10 HN CYS 10 -2.887 -4.292 -2.485 76 HA CYS 10 HA CYS 10 -0.355 -3.015 -1.913 77 HB2 CYS 10 2HB CYS 10 -1.416 -5.704 -1.085 78 HB3 CYS 10 1HB CYS 10 0.066 -4.947 -0.527 79 H LYS 11 HN LYS 11 -1.578 -4.894 -4.364 80 HA LYS 11 HA LYS 11 0.951 -6.200 -4.863 81 HB2 LYS 11 2HB LYS 11 -1.647 -6.263 -6.397 82 HB3 LYS 11 1HB LYS 11 -0.202 -7.135 -6.889 83 HG2 LYS 11 2HG LYS 11 -0.230 -8.351 -4.752 84 HG3 LYS 11 1HG LYS 11 -1.715 -7.513 -4.313 85 HD2 LYS 11 2HD LYS 11 -2.864 -8.527 -6.206 86 HD3 LYS 11 1HD LYS 11 -1.367 -9.316 -6.709 87 HE2 LYS 11 2HE LYS 11 -2.812 -9.769 -4.097 88 HE3 LYS 11 1HE LYS 11 -2.832 -10.860 -5.479 89 HZ1 LYS 11 1HZ LYS 11 -1.220 -11.571 -3.793 90 HZ2 LYS 11 2HZ LYS 11 -0.436 -10.116 -3.880 91 HZ3 LYS 11 3HZ LYS 11 -0.413 -11.149 -5.205 92 H ASP 12 HN ASP 12 -0.187 -3.243 -5.233 93 HA ASP 12 HA ASP 12 1.208 -2.621 -7.724 94 HB2 ASP 12 2HB ASP 12 -0.999 -1.504 -7.204 95 HB3 ASP 12 1HB ASP 12 -0.248 -0.780 -5.788 96 H ARG 13 HN ARG 13 3.096 -1.315 -7.650 97 HA ARG 13 HA ARG 13 4.833 -1.919 -5.563 98 HB2 ARG 13 2HB ARG 13 5.089 0.219 -7.667 99 HB3 ARG 13 1HB ARG 13 6.372 -0.234 -6.558 100 HG2 ARG 13 2HG ARG 13 6.326 -2.513 -7.454 101 HG3 ARG 13 1HG ARG 13 5.080 -2.030 -8.603 102 HD2 ARG 13 2HD ARG 13 7.864 -0.893 -8.402 103 HD3 ARG 13 1HD ARG 13 7.301 -2.022 -9.630 104 HE ARG 13 HE ARG 13 5.606 0.114 -9.775 105 HH11 ARG 13 1HH1 ARG 13 9.093 -0.404 -10.176 106 HH12 ARG 13 2HH1 ARG 13 9.315 0.931 -11.215 107 HH21 ARG 13 1HH2 ARG 13 5.942 1.975 -11.247 108 HH22 ARG 13 2HH2 ARG 13 7.510 2.261 -11.848 109 H ARG 14 HN ARG 14 2.679 0.786 -5.911 110 HA ARG 14 HA ARG 14 3.903 2.584 -4.135 111 HB2 ARG 14 2HB ARG 14 0.996 2.208 -4.796 112 HB3 ARG 14 1HB ARG 14 1.648 3.579 -3.911 113 HG2 ARG 14 2HG ARG 14 2.916 4.280 -5.821 114 HG3 ARG 14 1HG ARG 14 2.464 2.816 -6.699 115 HD2 ARG 14 2HD ARG 14 0.107 3.498 -6.498 116 HD3 ARG 14 1HD ARG 14 0.634 5.028 -5.801 117 HE ARG 14 HE ARG 14 1.916 5.277 -7.946 118 HH11 ARG 14 1HH1 ARG 14 -1.122 3.468 -7.746 119 HH12 ARG 14 2HH1 ARG 14 -1.587 3.735 -9.356 120 HH21 ARG 14 1HH2 ARG 14 1.299 5.655 -10.186 121 HH22 ARG 14 2HH2 ARG 14 -0.164 5.038 -10.793 122 H CYS 15 HN CYS 15 2.089 -0.307 -3.516 123 HA CYS 15 HA CYS 15 2.338 0.289 -0.669 124 HB2 CYS 15 2HB CYS 15 0.029 -0.989 -2.094 125 HB3 CYS 15 1HB CYS 15 0.327 -1.235 -0.369 126 H LYS 16 HN LYS 16 3.918 -1.227 -2.774 127 HA LYS 16 HA LYS 16 3.675 -3.924 -1.824 128 HB2 LYS 16 2HB LYS 16 4.286 -3.458 -4.169 129 HB3 LYS 16 1HB LYS 16 5.788 -2.723 -3.623 130 HG2 LYS 16 2HG LYS 16 6.487 -4.868 -2.687 131 HG3 LYS 16 1HG LYS 16 4.987 -5.603 -3.251 132 HD2 LYS 16 2HD LYS 16 5.606 -5.021 -5.563 133 HD3 LYS 16 1HD LYS 16 7.129 -4.356 -4.970 134 HE2 LYS 16 2HE LYS 16 6.221 -7.220 -4.682 135 HE3 LYS 16 1HE LYS 16 7.400 -6.631 -5.847 136 HZ1 LYS 16 1HZ LYS 16 8.501 -7.613 -3.954 137 HZ2 LYS 16 2HZ LYS 16 7.717 -6.608 -2.875 138 HZ3 LYS 16 3HZ LYS 16 8.823 -5.970 -3.958 139 HA HYP 17 HA HYP 17 7.667 -2.952 0.526 140 HB2 HYP 17 1HB HYP 17 8.756 -1.429 -0.956 141 HB3 HYP 17 2HB HYP 17 8.812 -0.609 0.616 142 HG HYP 17 HG HYP 17 7.072 0.829 0.048 143 HD22 HYP 17 1HD1 HYP 17 6.023 -0.639 -2.262 144 HD23 HYP 17 2HD1 HYP 17 5.158 -0.131 -0.805 145 HD1 HYP 17 2HD HYP 17 6.980 1.012 -2.238 146 H LEU 18 HN LEU 18 4.783 -1.637 1.044 147 HA LEU 18 HA LEU 18 5.422 -0.113 3.435 148 HB2 LEU 18 2HB LEU 18 2.858 -0.403 1.897 149 HB3 LEU 18 1HB LEU 18 2.985 0.504 3.384 150 HG LEU 18 HG LEU 18 4.348 1.140 0.757 151 HD11 LEU 18 1HD1 LEU 18 1.983 1.743 0.870 152 HD12 LEU 18 2HD1 LEU 18 3.016 3.171 0.869 153 HD13 LEU 18 3HD1 LEU 18 2.277 2.619 2.368 154 HD21 LEU 18 1HD2 LEU 18 4.582 2.493 3.434 155 HD22 LEU 18 2HD2 LEU 18 5.152 3.144 1.901 156 HD23 LEU 18 3HD2 LEU 18 5.875 1.670 2.547 157 H LYS 19 HN LYS 19 4.758 -0.582 5.430 158 HA LYS 19 HA LYS 19 4.432 -3.373 5.959 159 HB2 LYS 19 2HB LYS 19 4.501 -1.042 7.867 160 HB3 LYS 19 1HB LYS 19 4.538 -2.732 8.336 161 HG2 LYS 19 2HG LYS 19 6.629 -1.258 6.749 162 HG3 LYS 19 1HG LYS 19 6.760 -1.790 8.420 163 HD2 LYS 19 2HD LYS 19 6.506 -3.588 6.001 164 HD3 LYS 19 1HD LYS 19 7.984 -3.279 6.892 165 HE2 LYS 19 2HE LYS 19 6.922 -4.273 8.906 166 HE3 LYS 19 1HE LYS 19 5.509 -4.666 7.926 167 HZ1 LYS 19 1HZ LYS 19 8.264 -5.715 7.589 168 HZ2 LYS 19 2HZ LYS 19 7.029 -5.971 6.485 169 HZ3 LYS 19 3HZ LYS 19 6.893 -6.585 8.040 170 H CYS 20 HN CYS 20 2.269 -0.921 5.369 171 HA CYS 20 HA CYS 20 0.067 -1.921 6.897 172 HB2 CYS 20 2HB CYS 20 0.133 0.419 6.047 173 HB3 CYS 20 1HB CYS 20 0.122 -0.180 4.396 174 H CYS 21 HN CYS 21 1.792 -2.997 4.214 175 HA CYS 21 HA CYS 21 -0.352 -4.815 3.471 176 HB2 CYS 21 2HB CYS 21 1.772 -3.521 1.783 177 HB3 CYS 21 1HB CYS 21 0.764 -4.849 1.224 178 H ALA 22 HN ALA 22 0.686 -6.871 2.475 179 HA ALA 22 HA ALA 22 2.583 -7.814 4.388 180 HB1 ALA 22 2HB ALA 22 2.293 -9.974 3.233 181 HB2 ALA 22 3HB ALA 22 1.324 -9.168 2.006 182 HB3 ALA 22 1HB ALA 22 0.747 -9.242 3.667 183 HN1 NH2 23 2H ALA 22 4.261 -7.770 0.669 184 HN2 NH2 23 1H ALA 22 2.578 -8.097 0.890 Start of MODEL 20 1 H1 ARG 1 1HT ARG 1 0.385 8.874 -1.512 2 H2 ARG 1 2HT ARG 1 -1.130 9.450 -1.902 3 H3 ARG 1 3HT ARG 1 0.125 9.564 -3.042 4 HA ARG 1 HA ARG 1 -1.403 7.788 -3.561 5 HB2 ARG 1 2HB ARG 1 0.972 7.446 -4.120 6 HB3 ARG 1 1HB ARG 1 1.279 6.817 -2.511 7 HG2 ARG 1 2HG ARG 1 1.184 5.029 -4.151 8 HG3 ARG 1 1HG ARG 1 -0.144 4.884 -3.001 9 HD2 ARG 1 2HD ARG 1 -0.888 4.456 -5.286 10 HD3 ARG 1 1HD ARG 1 -1.660 5.889 -4.619 11 HE ARG 1 HE ARG 1 0.725 6.407 -6.149 12 HH11 ARG 1 1HH1 ARG 1 -2.811 6.183 -6.227 13 HH12 ARG 1 2HH1 ARG 1 -2.964 6.932 -7.746 14 HH21 ARG 1 1HH2 ARG 1 0.509 7.468 -8.237 15 HH22 ARG 1 2HH2 ARG 1 -1.033 7.665 -8.919 16 H ASP 2 HN ASP 2 -3.141 7.310 -2.351 17 HA ASP 2 HA ASP 2 -2.856 6.308 0.349 18 HB2 ASP 2 2HB ASP 2 -5.352 6.584 -1.342 19 HB3 ASP 2 1HB ASP 2 -5.320 6.188 0.365 20 H CYS 3 HN CYS 3 -2.326 4.258 0.542 21 HA CYS 3 HA CYS 3 -3.617 2.378 -1.280 22 HB2 CYS 3 2HB CYS 3 -1.162 2.576 -1.674 23 HB3 CYS 3 1HB CYS 3 -0.896 2.014 -0.027 24 H CYS 4 HN CYS 4 -2.290 2.861 1.989 25 HA CYS 4 HA CYS 4 -3.282 0.436 3.086 26 HB2 CYS 4 2HB CYS 4 -2.487 3.028 4.422 27 HB3 CYS 4 1HB CYS 4 -2.882 1.550 5.286 28 H THR 5 HN THR 5 -4.800 3.477 2.512 29 HA THR 5 HA THR 5 -6.893 3.075 4.335 30 HB THR 5 HB THR 5 -6.943 4.747 1.801 31 HG1 THR 5 1HG THR 5 -6.463 6.427 3.447 32 HG21 THR 5 1HG2 THR 5 -8.701 5.994 2.991 33 HG22 THR 5 2HG2 THR 5 -8.504 4.894 4.371 34 HG23 THR 5 3HG2 THR 5 -9.120 4.274 2.852 35 HA HYP 6 HA HYP 6 -8.641 -0.283 1.989 36 HB2 HYP 6 1HB HYP 6 -9.919 -1.349 3.568 37 HB3 HYP 6 2HB HYP 6 -11.003 0.045 3.731 38 HG HYP 6 HG HYP 6 -9.682 -0.014 5.794 39 HD22 HYP 6 1HD1 HYP 6 -8.163 1.983 5.206 40 HD23 HYP 6 2HD1 HYP 6 -9.840 2.173 4.609 41 HD1 HYP 6 2HD HYP 6 -7.404 0.269 4.452 42 HA HYP 7 HA HYP 7 -10.078 -1.706 0.942 43 HB2 HYP 7 1HB HYP 7 -11.382 -2.370 -0.806 44 HB3 HYP 7 2HB HYP 7 -10.218 -1.644 -1.922 45 HG HYP 7 HG HYP 7 -12.069 -0.252 -2.360 46 HD22 HYP 7 1HD1 HYP 7 -11.889 1.639 -0.493 47 HD23 HYP 7 2HD1 HYP 7 -10.416 1.275 -1.431 48 HD1 HYP 7 2HD HYP 7 -12.777 -0.237 0.313 49 H LYS 8 HN LYS 8 -8.065 -2.006 1.350 50 HA LYS 8 HA LYS 8 -6.038 -0.689 -0.197 51 HB2 LYS 8 2HB LYS 8 -4.466 -1.915 1.431 52 HB3 LYS 8 1HB LYS 8 -5.431 -0.585 2.044 53 HG2 LYS 8 2HG LYS 8 -6.874 -1.956 3.084 54 HG3 LYS 8 1HG LYS 8 -6.294 -3.428 2.275 55 HD2 LYS 8 2HD LYS 8 -4.110 -3.103 3.482 56 HD3 LYS 8 1HD LYS 8 -4.779 -1.677 4.266 57 HE2 LYS 8 2HE LYS 8 -5.820 -4.497 4.593 58 HE3 LYS 8 1HE LYS 8 -4.757 -3.678 5.726 59 HZ1 LYS 8 1HZ LYS 8 -6.543 -2.003 6.067 60 HZ2 LYS 8 2HZ LYS 8 -6.977 -3.539 6.507 61 HZ3 LYS 8 3HZ LYS 8 -7.577 -2.902 5.083 62 H LYS 9 HN LYS 9 -5.018 -1.500 -1.685 63 HA LYS 9 HA LYS 9 -5.008 -4.378 -2.148 64 HB2 LYS 9 2HB LYS 9 -5.758 -2.258 -4.179 65 HB3 LYS 9 1HB LYS 9 -5.446 -3.942 -4.576 66 HG2 LYS 9 2HG LYS 9 -7.339 -4.647 -3.226 67 HG3 LYS 9 1HG LYS 9 -7.620 -2.986 -2.716 68 HD2 LYS 9 2HD LYS 9 -7.770 -3.959 -5.565 69 HD3 LYS 9 1HD LYS 9 -9.154 -3.814 -4.484 70 HE2 LYS 9 2HE LYS 9 -8.672 -1.395 -4.250 71 HE3 LYS 9 1HE LYS 9 -7.355 -1.569 -5.408 72 HZ1 LYS 9 1HZ LYS 9 -8.963 -2.271 -7.072 73 HZ2 LYS 9 2HZ LYS 9 -9.385 -0.762 -6.461 74 HZ3 LYS 9 3HZ LYS 9 -10.218 -2.122 -5.965 75 H CYS 10 HN CYS 10 -2.960 -4.776 -1.944 76 HA CYS 10 HA CYS 10 -0.919 -2.878 -2.571 77 HB2 CYS 10 2HB CYS 10 -0.660 -4.475 -0.707 78 HB3 CYS 10 1HB CYS 10 -0.672 -5.813 -1.844 79 H LYS 11 HN LYS 11 -1.349 -2.469 -4.752 80 HA LYS 11 HA LYS 11 -0.354 -4.551 -6.581 81 HB2 LYS 11 2HB LYS 11 -2.717 -4.043 -6.992 82 HB3 LYS 11 1HB LYS 11 -2.335 -2.339 -7.179 83 HG2 LYS 11 2HG LYS 11 -0.929 -2.912 -9.139 84 HG3 LYS 11 1HG LYS 11 -1.444 -4.586 -8.974 85 HD2 LYS 11 2HD LYS 11 -3.283 -2.237 -9.454 86 HD3 LYS 11 1HD LYS 11 -2.708 -3.345 -10.696 87 HE2 LYS 11 2HE LYS 11 -3.819 -5.205 -9.531 88 HE3 LYS 11 1HE LYS 11 -4.406 -4.079 -8.306 89 HZ1 LYS 11 1HZ LYS 11 -5.649 -2.915 -10.031 90 HZ2 LYS 11 2HZ LYS 11 -6.090 -4.529 -9.974 91 HZ3 LYS 11 3HZ LYS 11 -5.072 -3.986 -11.194 92 H ASP 12 HN ASP 12 -0.403 -1.099 -5.845 93 HA ASP 12 HA ASP 12 1.510 -0.474 -7.875 94 HB2 ASP 12 2HB ASP 12 -0.177 1.191 -7.045 95 HB3 ASP 12 1HB ASP 12 0.661 1.211 -5.499 96 H ARG 13 HN ARG 13 3.696 0.121 -7.537 97 HA ARG 13 HA ARG 13 5.123 -1.475 -5.743 98 HB2 ARG 13 2HB ARG 13 6.062 1.011 -7.169 99 HB3 ARG 13 1HB ARG 13 7.095 -0.146 -6.347 100 HG2 ARG 13 2HG ARG 13 6.380 -1.884 -7.926 101 HG3 ARG 13 1HG ARG 13 5.379 -0.692 -8.759 102 HD2 ARG 13 2HD ARG 13 7.358 0.623 -9.300 103 HD3 ARG 13 1HD ARG 13 8.376 -0.516 -8.424 104 HE ARG 13 HE ARG 13 6.854 -1.804 -10.430 105 HH11 ARG 13 1HH1 ARG 13 9.778 0.174 -9.993 106 HH12 ARG 13 2HH1 ARG 13 10.546 -0.396 -11.387 107 HH21 ARG 13 1HH2 ARG 13 7.969 -2.613 -12.372 108 HH22 ARG 13 2HH2 ARG 13 9.513 -2.024 -12.756 109 H ARG 14 HN ARG 14 3.819 1.748 -5.352 110 HA ARG 14 HA ARG 14 5.372 2.518 -3.104 111 HB2 ARG 14 2HB ARG 14 2.646 3.417 -4.039 112 HB3 ARG 14 1HB ARG 14 3.498 4.155 -2.695 113 HG2 ARG 14 2HG ARG 14 4.548 4.022 -5.507 114 HG3 ARG 14 1HG ARG 14 3.687 5.401 -4.826 115 HD2 ARG 14 2HD ARG 14 5.409 5.736 -3.189 116 HD3 ARG 14 1HD ARG 14 6.235 4.257 -3.677 117 HE ARG 14 HE ARG 14 6.155 5.623 -5.943 118 HH11 ARG 14 1HH1 ARG 14 7.134 6.680 -2.702 119 HH12 ARG 14 2HH1 ARG 14 8.371 7.712 -3.262 120 HH21 ARG 14 1HH2 ARG 14 7.867 7.031 -6.701 121 HH22 ARG 14 2HH2 ARG 14 8.809 7.906 -5.588 122 H CYS 15 HN CYS 15 2.855 0.268 -3.471 123 HA CYS 15 HA CYS 15 1.973 0.396 -0.735 124 HB2 CYS 15 2HB CYS 15 1.384 -1.631 -2.889 125 HB3 CYS 15 1HB CYS 15 0.569 -1.502 -1.335 126 H LYS 16 HN LYS 16 4.603 -0.930 -2.359 127 HA LYS 16 HA LYS 16 4.587 -3.435 -0.970 128 HB2 LYS 16 2HB LYS 16 6.617 -2.242 -2.829 129 HB3 LYS 16 1HB LYS 16 6.807 -3.820 -2.069 130 HG2 LYS 16 2HG LYS 16 4.699 -4.546 -3.151 131 HG3 LYS 16 1HG LYS 16 4.612 -2.984 -3.960 132 HD2 LYS 16 2HD LYS 16 5.537 -4.675 -5.453 133 HD3 LYS 16 1HD LYS 16 6.753 -3.457 -5.078 134 HE2 LYS 16 2HE LYS 16 7.680 -5.737 -5.038 135 HE3 LYS 16 1HE LYS 16 7.805 -4.963 -3.466 136 HZ1 LYS 16 1HZ LYS 16 5.889 -6.253 -2.718 137 HZ2 LYS 16 2HZ LYS 16 7.045 -7.295 -3.338 138 HZ3 LYS 16 3HZ LYS 16 5.696 -6.912 -4.244 139 HA HYP 17 HA HYP 17 8.035 -1.399 1.721 140 HB2 HYP 17 1HB HYP 17 8.808 0.567 0.683 141 HB3 HYP 17 2HB HYP 17 7.895 1.296 2.022 142 HG HYP 17 HG HYP 17 5.942 1.478 0.694 143 HD22 HYP 17 1HD1 HYP 17 7.515 -0.153 -1.316 144 HD23 HYP 17 2HD1 HYP 17 5.758 0.153 -1.309 145 HD1 HYP 17 2HD HYP 17 6.536 2.229 -1.218 146 H LEU 18 HN LEU 18 4.776 -0.987 1.531 147 HA LEU 18 HA LEU 18 4.384 0.238 4.125 148 HB2 LEU 18 2HB LEU 18 2.368 -0.723 2.106 149 HB3 LEU 18 1HB LEU 18 2.006 0.160 3.571 150 HG LEU 18 HG LEU 18 3.508 1.234 1.173 151 HD11 LEU 18 1HD1 LEU 18 1.055 0.928 0.889 152 HD12 LEU 18 2HD1 LEU 18 1.566 2.612 0.842 153 HD13 LEU 18 3HD1 LEU 18 0.809 1.961 2.294 154 HD21 LEU 18 1HD2 LEU 18 3.390 3.378 2.346 155 HD22 LEU 18 2HD2 LEU 18 4.360 2.199 3.226 156 HD23 LEU 18 3HD2 LEU 18 2.716 2.566 3.760 157 H LYS 19 HN LYS 19 3.855 -0.839 5.860 158 HA LYS 19 HA LYS 19 4.071 -3.653 5.997 159 HB2 LYS 19 2HB LYS 19 3.381 -3.348 8.369 160 HB3 LYS 19 1HB LYS 19 4.706 -2.300 7.881 161 HG2 LYS 19 2HG LYS 19 3.091 -0.460 7.587 162 HG3 LYS 19 1HG LYS 19 1.818 -1.525 8.162 163 HD2 LYS 19 2HD LYS 19 2.927 -1.760 10.292 164 HD3 LYS 19 1HD LYS 19 4.282 -0.787 9.719 165 HE2 LYS 19 2HE LYS 19 2.790 1.123 9.426 166 HE3 LYS 19 1HE LYS 19 1.429 0.154 9.986 167 HZ1 LYS 19 1HZ LYS 19 2.555 -0.094 12.109 168 HZ2 LYS 19 2HZ LYS 19 2.274 1.527 11.742 169 HZ3 LYS 19 3HZ LYS 19 3.830 0.876 11.564 170 H CYS 20 HN CYS 20 1.555 -1.682 5.112 171 HA CYS 20 HA CYS 20 -0.700 -3.152 5.972 172 HB2 CYS 20 2HB CYS 20 -0.466 -1.377 3.544 173 HB3 CYS 20 1HB CYS 20 -1.926 -1.763 4.452 174 H CYS 21 HN CYS 21 1.675 -3.594 3.487 175 HA CYS 21 HA CYS 21 -0.023 -5.213 1.829 176 HB2 CYS 21 2HB CYS 21 1.674 -3.714 0.815 177 HB3 CYS 21 1HB CYS 21 2.941 -4.608 1.637 178 H ALA 22 HN ALA 22 -0.586 -6.760 3.353 179 HA ALA 22 HA ALA 22 1.060 -9.069 3.454 180 HB1 ALA 22 2HB ALA 22 0.552 -7.614 6.062 181 HB2 ALA 22 3HB ALA 22 2.126 -7.835 5.293 182 HB3 ALA 22 1HB ALA 22 1.236 -9.231 5.901 183 HN1 NH2 23 2H ALA 22 -2.226 -10.235 3.404 184 HN2 NH2 23 1H ALA 22 -0.703 -10.067 2.597
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