NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9296 | 1noq | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 1 H5'' C 1 -9.428 -12.264 -4.778 2 2H5* C 1 H5' C 1 -8.044 -12.157 -3.710 3 H4* C 1 H4' C 1 -10.474 -13.868 -2.976 4 H3* C 1 H3' C 1 -10.899 -11.170 -3.439 5 H1* C 1 H1' C 1 -10.006 -12.471 0.083 6 1H4 C 1 1H4 C 1 -4.348 -11.873 2.456 7 2H4 C 1 2H4 C 1 -3.500 -11.403 0.990 8 H5 C 1 H5 C 1 -4.859 -11.017 -0.990 9 H6 C 1 H6 C 1 -7.170 -11.243 -1.934 10 H5T C 1 H5T C 1 -7.893 -14.423 -3.837 11 1H2* C 1 H2' C 1 -9.232 -10.360 -1.958 12 2H2* C 1 H2'' C 1 -10.574 -10.372 -0.835 13 1H5* C 2 H5'' C 2 -12.429 -10.402 0.515 14 2H5* C 2 H5' C 2 -14.044 -9.728 0.274 15 H4* C 2 H4' C 2 -12.666 -8.125 1.541 16 H3* C 2 H3' C 2 -14.095 -7.355 -0.787 17 H1* C 2 H1' C 2 -10.656 -6.136 0.224 18 1H4 C 2 1H4 C 2 -5.943 -7.835 -4.051 19 2H4 C 2 2H4 C 2 -5.292 -7.957 -2.442 20 H5 C 2 H5 C 2 -8.266 -7.356 -4.332 21 H6 C 2 H6 C 2 -10.422 -6.939 -3.168 22 1H2* C 2 H2' C 2 -12.192 -7.340 -2.135 23 2H2* C 2 H2'' C 2 -12.134 -5.646 -1.634 24 1H5* G 3 H5'' G 3 -12.036 -4.599 1.925 25 2H5* G 3 H5' G 3 -12.866 -3.113 2.329 26 H4* G 3 H4' G 3 -10.537 -2.961 2.735 27 H3* G 3 H3' G 3 -11.719 -0.927 1.051 28 H1* G 3 H1' G 3 -8.231 -2.319 1.370 29 H8 G 3 H8 G 3 -9.197 -2.959 -2.290 30 H1 G 3 H1 G 3 -3.561 -5.467 -0.452 31 1H2 G 3 1H2 G 3 -4.601 -4.402 2.595 32 2H2 G 3 2H2 G 3 -3.296 -5.183 1.745 33 1H2* G 3 H2' G 3 -10.277 -1.567 -0.756 34 2H2* G 3 H2'' G 3 -9.190 -0.447 0.076 35 1H5* C 4 H5'' C 4 -9.994 -1.942 4.520 36 2H5* C 4 H5' C 4 -11.748 -1.958 4.631 37 H4* C 4 H4' C 4 -11.499 -1.521 7.134 38 H3* C 4 H3' C 4 -8.857 -0.868 6.857 39 H1* C 4 H1' C 4 -9.731 -4.507 7.747 40 1H4 C 4 1H4 C 4 -9.594 -8.115 2.155 41 2H4 C 4 2H4 C 4 -9.725 -9.144 3.569 42 H5 C 4 H5 C 4 -9.357 -5.772 2.447 43 H6 C 4 H6 C 4 -9.327 -3.903 4.117 44 1H2* C 4 H2' C 4 -8.210 -2.879 5.676 45 2H2* C 4 H2'' C 4 -7.756 -3.306 7.311 46 1H5* C 5 H5'' C 5 -6.314 -3.125 8.790 47 2H5* C 5 H5' C 5 -5.715 -2.140 10.112 48 H4* C 5 H4' C 5 -3.895 -2.593 8.476 49 H3* C 5 H3' C 5 -4.438 -0.091 9.626 50 H1* C 5 H1' C 5 -3.424 -0.654 6.044 51 1H4 C 5 1H4 C 5 -6.968 0.171 0.905 52 2H4 C 5 2H4 C 5 -8.372 0.575 1.881 53 H5 C 5 H5 C 5 -8.293 0.810 4.157 54 H6 C 5 H6 C 5 -6.955 0.410 6.224 55 1H2* C 5 H2' C 5 -5.557 0.763 7.708 56 2H2* C 5 H2'' C 5 -3.917 1.303 7.355 57 1H5* G 6 H5'' G 6 -0.483 2.974 9.360 58 2H5* G 6 H5' G 6 -1.717 2.347 8.291 59 H4* G 6 H4' G 6 1.201 1.886 7.551 60 H3* G 6 H3' G 6 0.122 4.533 7.840 61 H1* G 6 H1' G 6 0.288 2.587 4.524 62 H8 G 6 H8 G 6 -3.302 3.068 5.899 63 H1 G 6 H1 G 6 -2.914 1.501 -0.334 64 1H2 G 6 1H2 G 6 0.372 1.345 0.377 65 2H2 G 6 2H2 G 6 -0.791 1.185 -0.915 66 1H2* G 6 H2' G 6 -1.438 4.466 6.163 67 2H2* G 6 H2'' G 6 -0.059 4.845 5.133 68 1H5* C 101 H5'' C 101 -4.878 5.795 -3.051 69 2H5* C 101 H5' C 101 -5.008 7.436 -2.429 70 H4* C 101 H4' C 101 -3.736 8.227 -4.548 71 H3* C 101 H3' C 101 -3.910 5.653 -5.535 72 H1* C 101 H1' C 101 -0.772 6.786 -3.727 73 1H4 C 101 1H4 C 101 -0.604 4.068 2.346 74 2H4 C 101 2H4 C 101 0.864 4.908 1.902 75 H5 C 101 H5 C 101 -2.540 4.399 0.838 76 H6 C 101 H6 C 101 -3.197 5.190 -1.454 77 H5T C 101 H5T C 101 -6.811 6.777 -3.626 78 1H2* C 101 H2' C 101 -2.903 4.619 -3.607 79 2H2* C 101 H2'' C 101 -1.498 4.724 -4.651 80 1H5* C 102 H5'' C 102 0.321 4.828 -5.948 81 2H5* C 102 H5' C 102 0.535 4.393 -7.644 82 H4* C 102 H4' C 102 1.172 2.493 -6.183 83 H3* C 102 H3' C 102 -0.511 2.183 -8.415 84 H1* C 102 H1' C 102 -1.091 0.483 -5.064 85 1H4 C 102 1H4 C 102 -6.477 2.727 -2.033 86 2H4 C 102 2H4 C 102 -5.340 2.279 -0.797 87 H5 C 102 H5 C 102 -5.907 2.612 -4.315 88 H6 C 102 H6 C 102 -4.102 2.153 -5.947 89 1H2* C 102 H2' C 102 -2.479 2.203 -7.182 90 2H2* C 102 H2'' C 102 -2.231 0.457 -7.179 91 1H5* G 103 H5'' G 103 0.891 -1.135 -5.942 92 2H5* G 103 H5' G 103 1.422 -2.581 -6.772 93 H4* G 103 H4' G 103 0.885 -3.020 -4.520 94 H3* G 103 H3' G 103 -0.437 -4.623 -6.520 95 H1* G 103 H1' G 103 -1.382 -3.639 -2.992 96 H8 G 103 H8 G 103 -4.109 -2.167 -5.280 97 H1 G 103 H1 G 103 -4.755 -0.814 0.979 98 1H2 G 103 1H2 G 103 -1.782 -2.388 1.186 99 2H2 G 103 2H2 G 103 -2.983 -1.533 2.110 100 1H2* G 103 H2' G 103 -2.590 -3.855 -5.780 101 2H2* G 103 H2'' G 103 -2.367 -5.177 -4.626 102 1H5* C 104 H5'' C 104 2.201 -4.423 -3.667 103 2H5* C 104 H5' C 104 3.072 -4.490 -5.183 104 H4* C 104 H4' C 104 5.082 -5.352 -3.933 105 H3* C 104 H3' C 104 3.587 -6.160 -1.805 106 H1* C 104 H1' C 104 5.214 -2.703 -1.590 107 1H4 C 104 1H4 C 104 0.626 1.893 -2.990 108 2H4 C 104 2H4 C 104 2.137 2.653 -2.515 109 H5 C 104 H5 C 104 0.444 -0.459 -2.967 110 H6 C 104 H6 C 104 1.670 -2.600 -2.655 111 1H2* C 104 H2' C 104 2.487 -4.061 -1.453 112 2H2* C 104 H2'' C 104 3.720 -3.943 -0.246 113 1H5* C 105 H5'' C 105 4.694 -4.126 1.492 114 2H5* C 105 H5' C 105 5.277 -5.311 2.626 115 H4* C 105 H4' C 105 3.119 -4.251 3.375 116 H3* C 105 H3' C 105 3.854 -6.937 3.639 117 H1* C 105 H1' C 105 0.409 -5.765 2.710 118 1H4 C 105 1H4 C 105 -2.552 -6.611 -2.773 119 2H4 C 105 2H4 C 105 -1.073 -7.133 -3.579 120 H5 C 105 H5 C 105 0.932 -7.336 -2.469 121 H6 C 105 H6 C 105 2.155 -6.987 -0.307 122 1H2* C 105 H2' C 105 2.588 -7.654 1.729 123 2H2* C 105 H2'' C 105 1.397 -7.925 3.007 124 1H5* G 106 H5'' G 106 1.992 -9.782 6.456 125 2H5* G 106 H5' G 106 1.717 -9.055 4.897 126 H4* G 106 H4' G 106 -0.620 -9.448 6.838 127 H3* G 106 H3' G 106 0.881 -11.560 5.467 128 H1* G 106 H1' G 106 -2.534 -10.068 4.638 129 H8 G 106 H8 G 106 -0.022 -9.905 1.727 130 H1 G 106 H1 G 106 -5.933 -7.868 0.254 131 1H2 G 106 1H2 G 106 -6.444 -8.186 3.561 132 2H2 G 106 2H2 G 106 -7.209 -7.763 2.047 133 H3T G 106 H3T G 106 -0.526 -11.575 7.303 134 1H2* G 106 H2' G 106 -0.017 -11.263 3.401 135 2H2* G 106 H2'' G 106 -1.418 -12.104 4.055 Start of MODEL 2 1 1H5* C 1 H5'' C 1 -8.636 -11.493 -6.451 2 2H5* C 1 H5' C 1 -7.371 -11.475 -5.238 3 H4* C 1 H4' C 1 -9.858 -13.248 -4.962 4 H3* C 1 H3' C 1 -10.194 -10.499 -5.122 5 H1* C 1 H1' C 1 -9.734 -12.281 -1.724 6 1H4 C 1 1H4 C 1 -3.343 -11.587 -0.009 7 2H4 C 1 2H4 C 1 -4.342 -12.288 1.261 8 H5 C 1 H5 C 1 -4.484 -10.834 -2.023 9 H6 C 1 H6 C 1 -6.690 -10.822 -3.212 10 H5T C 1 H5T C 1 -7.173 -13.724 -5.567 11 1H2* C 1 H2' C 1 -8.738 -9.914 -3.346 12 2H2* C 1 H2'' C 1 -10.202 -10.069 -2.411 13 1H5* C 2 H5'' C 2 -12.190 -10.323 -1.302 14 2H5* C 2 H5' C 2 -13.789 -9.650 -1.622 15 H4* C 2 H4' C 2 -12.624 -8.236 0.039 16 H3* C 2 H3' C 2 -13.807 -7.151 -2.303 17 H1* C 2 H1' C 2 -10.519 -6.045 -0.783 18 1H4 C 2 1H4 C 2 -5.412 -7.180 -4.810 19 2H4 C 2 2H4 C 2 -4.889 -7.447 -3.173 20 H5 C 2 H5 C 2 -7.707 -6.692 -5.222 21 H6 C 2 H6 C 2 -9.953 -6.437 -4.216 22 1H2* C 2 H2' C 2 -11.786 -6.943 -3.426 23 2H2* C 2 H2'' C 2 -11.809 -5.331 -2.706 24 1H5* G 3 H5'' G 3 -12.162 -4.660 0.955 25 2H5* G 3 H5' G 3 -13.043 -3.197 1.337 26 H4* G 3 H4' G 3 -10.768 -3.100 2.049 27 H3* G 3 H3' G 3 -11.772 -0.928 0.433 28 H1* G 3 H1' G 3 -8.324 -2.344 1.002 29 H8 G 3 H8 G 3 -8.912 -2.642 -2.777 30 H1 G 3 H1 G 3 -3.456 -5.301 -0.613 31 1H2 G 3 1H2 G 3 -4.822 -4.530 2.382 32 2H2 G 3 2H2 G 3 -3.447 -5.291 1.629 33 1H2* G 3 H2' G 3 -10.143 -1.417 -1.259 34 2H2* G 3 H2'' G 3 -9.164 -0.368 -0.220 35 1H5* C 4 H5'' C 4 -10.288 -2.234 3.976 36 2H5* C 4 H5' C 4 -12.042 -2.339 3.797 37 H4* C 4 H4' C 4 -12.169 -2.151 6.365 38 H3* C 4 H3' C 4 -9.500 -1.538 6.504 39 H1* C 4 H1' C 4 -10.564 -5.244 6.868 40 1H4 C 4 1H4 C 4 -9.643 -8.121 0.926 41 2H4 C 4 2H4 C 4 -9.845 -9.324 2.186 42 H5 C 4 H5 C 4 -9.550 -5.825 1.529 43 H6 C 4 H6 C 4 -9.749 -4.186 3.423 44 1H2* C 4 H2' C 4 -8.684 -3.452 5.279 45 2H2* C 4 H2'' C 4 -8.526 -4.045 6.920 46 1H5* C 5 H5'' C 5 -7.287 -3.921 8.644 47 2H5* C 5 H5' C 5 -6.827 -2.988 10.059 48 H4* C 5 H4' C 5 -4.856 -3.404 8.577 49 H3* C 5 H3' C 5 -5.488 -0.998 9.867 50 H1* C 5 H1' C 5 -4.152 -1.246 6.373 51 1H4 C 5 1H4 C 5 -7.101 0.150 1.008 52 2H4 C 5 2H4 C 5 -8.617 0.468 1.842 53 H5 C 5 H5 C 5 -8.799 0.427 4.133 54 H6 C 5 H6 C 5 -7.700 -0.210 6.280 55 1H2* C 5 H2' C 5 -6.461 -0.005 7.945 56 2H2* C 5 H2'' C 5 -4.820 0.603 7.781 57 1H5* G 6 H5'' G 6 -1.775 2.081 10.519 58 2H5* G 6 H5' G 6 -2.874 1.598 9.243 59 H4* G 6 H4' G 6 0.139 1.591 8.736 60 H3* G 6 H3' G 6 -1.372 3.986 9.263 61 H1* G 6 H1' G 6 -0.543 2.633 5.789 62 H8 G 6 H8 G 6 -4.335 2.595 6.580 63 H1 G 6 H1 G 6 -2.754 1.647 0.425 64 1H2 G 6 1H2 G 6 0.361 1.572 1.694 65 2H2 G 6 2H2 G 6 -0.552 1.444 0.207 66 1H2* G 6 H2' G 6 -2.728 3.966 7.423 67 2H2* G 6 H2'' G 6 -1.325 4.687 6.633 68 1H5* C 101 H5'' C 101 -4.703 6.293 -2.734 69 2H5* C 101 H5' C 101 -4.949 7.732 -1.754 70 H4* C 101 H4' C 101 -3.116 8.823 -3.354 71 H3* C 101 H3' C 101 -3.037 6.369 -4.600 72 H1* C 101 H1' C 101 -0.601 7.024 -1.593 73 1H4 C 101 1H4 C 101 -3.874 4.724 3.749 74 2H4 C 101 2H4 C 101 -2.286 5.399 4.108 75 H5 C 101 H5 C 101 -4.534 4.682 1.391 76 H6 C 101 H6 C 101 -3.848 5.372 -0.907 77 H5T C 101 H5T C 101 -6.359 7.584 -3.517 78 1H2* C 101 H2' C 101 -2.591 5.028 -2.688 79 2H2* C 101 H2'' C 101 -0.940 5.320 -3.155 80 1H5* C 102 H5'' C 102 1.119 5.452 -4.082 81 2H5* C 102 H5' C 102 1.717 5.231 -5.728 82 H4* C 102 H4' C 102 2.027 3.140 -4.450 83 H3* C 102 H3' C 102 0.751 3.154 -6.977 84 H1* C 102 H1' C 102 -0.326 1.063 -4.010 85 1H4 C 102 1H4 C 102 -5.192 2.398 -0.281 86 2H4 C 102 2H4 C 102 -6.163 2.998 -1.593 87 H5 C 102 H5 C 102 -5.259 3.041 -3.792 88 H6 C 102 H6 C 102 -3.218 2.742 -5.165 89 1H2* C 102 H2' C 102 -1.404 3.048 -6.085 90 2H2* C 102 H2'' C 102 -1.141 1.311 -6.271 91 1H5* G 103 H5'' G 103 1.683 -0.534 -4.762 92 2H5* G 103 H5' G 103 2.254 -1.887 -5.714 93 H4* G 103 H4' G 103 1.344 -2.555 -3.614 94 H3* G 103 H3' G 103 0.337 -3.841 -6.009 95 H1* G 103 H1' G 103 -1.072 -3.278 -2.555 96 H8 G 103 H8 G 103 -3.518 -1.539 -4.975 97 H1 G 103 H1 G 103 -4.795 -0.799 1.289 98 1H2 G 103 1H2 G 103 -1.845 -2.418 1.626 99 2H2 G 103 2H2 G 103 -3.147 -1.676 2.514 100 1H2* G 103 H2' G 103 -1.909 -3.180 -5.478 101 2H2* G 103 H2'' G 103 -1.817 -4.618 -4.453 102 1H5* C 104 H5'' C 104 2.648 -4.088 -2.966 103 2H5* C 104 H5' C 104 3.706 -4.100 -4.361 104 H4* C 104 H4' C 104 5.506 -5.127 -2.969 105 H3* C 104 H3' C 104 3.777 -6.177 -1.174 106 H1* C 104 H1' C 104 5.372 -2.829 -0.279 107 1H4 C 104 1H4 C 104 1.032 2.045 -1.509 108 2H4 C 104 2H4 C 104 2.493 2.715 -0.805 109 H5 C 104 H5 C 104 0.819 -0.263 -1.804 110 H6 C 104 H6 C 104 1.970 -2.467 -1.665 111 1H2* C 104 H2' C 104 2.638 -4.122 -0.670 112 2H2* C 104 H2'' C 104 3.703 -4.194 0.694 113 1H5* C 105 H5'' C 105 4.624 -4.493 2.520 114 2H5* C 105 H5' C 105 5.032 -5.842 3.553 115 H4* C 105 H4' C 105 2.886 -4.708 4.255 116 H3* C 105 H3' C 105 3.431 -7.425 4.344 117 H1* C 105 H1' C 105 0.175 -6.058 3.138 118 1H4 C 105 1H4 C 105 -0.607 -6.637 -3.395 119 2H4 C 105 2H4 C 105 -2.178 -6.254 -2.700 120 H5 C 105 H5 C 105 1.293 -6.889 -2.119 121 H6 C 105 H6 C 105 2.268 -6.830 0.204 122 2H2* C 105 H2' C 105 1.073 -8.263 3.252 123 1H2* C 105 H2'' C 105 2.419 -7.880 2.183 124 1H5* G 106 H5'' G 106 1.427 -10.608 6.253 125 2H5* G 106 H5' G 106 1.498 -9.642 4.815 126 H4* G 106 H4' G 106 -1.176 -10.644 5.956 127 H3* G 106 H3' G 106 0.898 -11.970 4.209 128 H1* G 106 H1' G 106 -2.725 -10.737 3.689 129 H8 G 106 H8 G 106 -0.061 -10.097 1.005 130 H1 G 106 H1 G 106 -5.849 -7.757 -0.482 131 1H2 G 106 1H2 G 106 -6.623 -8.584 2.682 132 2H2 G 106 2H2 G 106 -7.240 -7.904 1.192 133 H3T G 106 H3T G 106 -0.294 -12.738 6.082 134 1H2* G 106 H2' G 106 -0.237 -11.804 2.295 135 2H2* G 106 H2'' G 106 -1.594 -12.669 2.993 Start of MODEL 3 1 1H5* C 1 H5'' C 1 -9.736 -11.762 -5.621 2 2H5* C 1 H5' C 1 -8.379 -11.742 -4.505 3 H4* C 1 H4' C 1 -10.990 -13.190 -3.840 4 H3* C 1 H3' C 1 -10.996 -10.424 -4.262 5 H1* C 1 H1' C 1 -10.512 -12.022 -0.758 6 1H4 C 1 1H4 C 1 -3.952 -11.799 0.395 7 2H4 C 1 2H4 C 1 -4.884 -12.478 1.730 8 H5 C 1 H5 C 1 -5.198 -10.994 -1.522 9 H6 C 1 H6 C 1 -7.493 -10.847 -2.532 10 H5T C 1 H5T C 1 -8.304 -13.425 -6.040 11 1H2* C 1 H2' C 1 -9.455 -9.834 -2.578 12 2H2* C 1 H2'' C 1 -10.884 -9.839 -1.573 13 1H5* C 2 H5'' C 2 -12.919 -9.477 -0.491 14 2H5* C 2 H5' C 2 -14.391 -8.631 -0.960 15 H4* C 2 H4' C 2 -13.016 -7.147 0.475 16 H3* C 2 H3' C 2 -14.022 -6.288 -2.047 17 H1* C 2 H1' C 2 -10.662 -5.443 -0.549 18 1H4 C 2 1H4 C 2 -5.179 -7.832 -2.386 19 2H4 C 2 2H4 C 2 -5.585 -7.742 -4.068 20 H5 C 2 H5 C 2 -7.788 -7.050 -4.692 21 H6 C 2 H6 C 2 -10.029 -6.387 -3.869 22 1H2* C 2 H2' C 2 -11.965 -6.497 -3.122 23 2H2* C 2 H2'' C 2 -11.773 -4.817 -2.609 24 1H5* G 3 H5'' G 3 -11.863 -3.681 0.754 25 2H5* G 3 H5' G 3 -12.645 -2.139 1.013 26 H4* G 3 H4' G 3 -10.354 -2.036 1.652 27 H3* G 3 H3' G 3 -11.237 -0.132 -0.384 28 H1* G 3 H1' G 3 -7.920 -1.675 0.671 29 H8 G 3 H8 G 3 -8.261 -2.309 -3.109 30 H1 G 3 H1 G 3 -3.647 -5.654 -0.124 31 1H2 G 3 1H2 G 3 -5.133 -4.368 2.624 32 2H2 G 3 2H2 G 3 -3.781 -5.324 2.069 33 1H2* G 3 H2' G 3 -9.476 -0.811 -1.807 34 2H2* G 3 H2'' G 3 -8.528 0.253 -0.785 35 1H5* C 4 H5'' C 4 -10.757 -0.847 3.325 36 2H5* C 4 H5' C 4 -12.467 -0.502 3.185 37 H4* C 4 H4' C 4 -12.508 0.090 5.635 38 H3* C 4 H3' C 4 -9.814 0.492 5.753 39 H1* C 4 H1' C 4 -11.136 -2.974 6.772 40 1H4 C 4 1H4 C 4 -10.199 -7.087 1.619 41 2H4 C 4 2H4 C 4 -10.951 -7.933 2.959 42 H5 C 4 H5 C 4 -9.622 -4.812 1.874 43 H6 C 4 H6 C 4 -9.737 -2.822 3.375 44 1H2* C 4 H2' C 4 -9.148 -1.628 4.894 45 2H2* C 4 H2'' C 4 -9.032 -1.973 6.587 46 1H5* C 5 H5'' C 5 -7.978 -2.156 8.299 47 2H5* C 5 H5' C 5 -7.535 -1.178 9.669 48 H4* C 5 H4' C 5 -5.497 -2.057 8.557 49 H3* C 5 H3' C 5 -5.817 0.574 9.432 50 H1* C 5 H1' C 5 -4.232 -0.295 6.148 51 1H4 C 5 1H4 C 5 -8.084 1.306 1.068 52 2H4 C 5 2H4 C 5 -6.562 0.696 0.422 53 H5 C 5 H5 C 5 -8.465 1.571 3.320 54 H6 C 5 H6 C 5 -7.604 1.107 5.618 55 2H2* C 5 H2' C 5 -4.738 1.756 7.291 56 1H2* C 5 H2'' C 5 -6.461 1.434 7.317 57 1H5* G 6 H5'' G 6 -1.136 2.742 9.906 58 2H5* G 6 H5' G 6 -2.495 2.435 8.858 59 H4* G 6 H4' G 6 0.082 0.883 8.345 60 H3* G 6 H3' G 6 0.446 3.644 8.465 61 H1* G 6 H1' G 6 -0.474 2.004 5.164 62 H8 G 6 H8 G 6 -3.537 3.745 6.702 63 H1 G 6 H1 G 6 -4.108 2.394 0.449 64 1H2 G 6 1H2 G 6 -1.155 0.886 0.866 65 2H2 G 6 2H2 G 6 -2.239 1.510 -0.331 66 1H2* G 6 H2' G 6 -1.348 4.226 7.047 67 2H2* G 6 H2'' G 6 -0.007 4.239 5.899 68 1H5* C 101 H5'' C 101 -3.211 6.828 -3.820 69 2H5* C 101 H5' C 101 -2.715 6.205 -2.256 70 H4* C 101 H4' C 101 -0.843 7.971 -3.922 71 H3* C 101 H3' C 101 -1.721 5.538 -4.994 72 H1* C 101 H1' C 101 1.503 5.971 -3.107 73 1H4 C 101 1H4 C 101 1.105 2.836 2.742 74 2H4 C 101 2H4 C 101 2.768 3.099 2.226 75 H5 C 101 H5 C 101 -0.634 3.650 1.324 76 H6 C 101 H6 C 101 -1.144 4.769 -0.875 77 H5T C 101 H5T C 101 -3.844 8.172 -2.143 78 1H2* C 101 H2' C 101 -1.032 4.274 -3.084 79 2H2* C 101 H2'' C 101 0.391 4.064 -4.088 80 1H5* C 102 H5'' C 102 2.267 3.861 -5.186 81 2H5* C 102 H5' C 102 2.535 3.341 -6.843 82 H4* C 102 H4' C 102 2.698 1.427 -5.211 83 H3* C 102 H3' C 102 1.319 1.290 -7.666 84 H1* C 102 H1' C 102 -0.123 -0.094 -4.336 85 1H4 C 102 1H4 C 102 -5.157 3.867 -2.671 86 2H4 C 102 2H4 C 102 -4.307 3.506 -1.205 87 H5 C 102 H5 C 102 -4.351 3.105 -4.759 88 H6 C 102 H6 C 102 -2.520 1.943 -5.923 89 1H2* C 102 H2' C 102 -0.763 1.602 -6.813 90 2H2* C 102 H2'' C 102 -0.782 -0.148 -6.632 91 1H5* G 103 H5'' G 103 1.912 -2.172 -5.056 92 2H5* G 103 H5' G 103 2.208 -3.701 -5.847 93 H4* G 103 H4' G 103 1.434 -3.979 -3.636 94 H3* G 103 H3' G 103 0.017 -5.346 -5.752 95 H1* G 103 H1' G 103 -1.071 -4.139 -2.297 96 H8 G 103 H8 G 103 -3.025 -2.110 -4.963 97 H1 G 103 H1 G 103 -4.263 -0.566 1.166 98 1H2 G 103 1H2 G 103 -1.975 -2.923 1.779 99 2H2 G 103 2H2 G 103 -2.993 -1.712 2.524 100 1H2* G 103 H2' G 103 -2.031 -4.248 -5.189 101 2H2* G 103 H2'' G 103 -2.103 -5.562 -4.026 102 1H5* C 104 H5'' C 104 2.403 -5.540 -2.692 103 2H5* C 104 H5' C 104 3.460 -5.763 -4.071 104 H4* C 104 H4' C 104 5.104 -6.913 -2.528 105 H3* C 104 H3' C 104 3.196 -7.408 -0.660 106 H1* C 104 H1' C 104 5.336 -4.241 -0.218 107 1H4 C 104 1H4 C 104 1.594 0.966 -1.989 108 2H4 C 104 2H4 C 104 3.129 1.499 -1.326 109 H5 C 104 H5 C 104 1.123 -1.340 -2.104 110 H6 C 104 H6 C 104 1.996 -3.646 -1.697 111 1H2* C 104 H2' C 104 2.447 -5.157 -0.341 112 2H2* C 104 H2'' C 104 3.587 -5.234 0.959 113 1H5* C 105 H5'' C 105 4.307 -5.536 2.859 114 2H5* C 105 H5' C 105 4.568 -6.835 4.005 115 H4* C 105 H4' C 105 2.608 -5.362 4.643 116 H3* C 105 H3' C 105 2.739 -8.114 4.975 117 H1* C 105 H1' C 105 -0.291 -6.435 3.598 118 1H4 C 105 1H4 C 105 -1.195 -7.508 -2.841 119 2H4 C 105 2H4 C 105 -2.643 -6.744 -2.198 120 H5 C 105 H5 C 105 0.648 -7.942 -1.544 121 H6 C 105 H6 C 105 1.649 -7.819 0.765 122 2H2* C 105 H2' C 105 0.314 -8.714 3.922 123 1H2* C 105 H2'' C 105 1.692 -8.600 2.836 124 1H5* G 106 H5'' G 106 0.382 -10.781 7.410 125 2H5* G 106 H5' G 106 0.563 -10.086 5.820 126 H4* G 106 H4' G 106 -2.207 -10.533 7.084 127 H3* G 106 H3' G 106 -0.377 -12.381 5.545 128 H1* G 106 H1' G 106 -3.771 -10.659 4.769 129 H8 G 106 H8 G 106 -0.850 -10.656 2.259 130 H1 G 106 H1 G 106 -6.211 -7.807 0.138 131 1H2 G 106 1H2 G 106 -7.709 -7.652 1.722 132 2H2 G 106 2H2 G 106 -7.293 -8.365 3.269 133 H3T G 106 H3T G 106 -1.665 -12.684 7.506 134 1H2* G 106 H2' G 106 -1.554 -12.343 3.608 135 2H2* G 106 H2'' G 106 -3.014 -12.815 4.447 Start of MODEL 4 1 1H5* C 1 H5'' C 1 -8.702 -11.636 -5.546 2 2H5* C 1 H5' C 1 -7.493 -11.630 -4.279 3 H4* C 1 H4' C 1 -10.036 -13.314 -4.040 4 H3* C 1 H3' C 1 -10.304 -10.572 -4.343 5 H1* C 1 H1' C 1 -9.983 -12.157 -0.848 6 1H4 C 1 1H4 C 1 -3.644 -11.613 1.057 7 2H4 C 1 2H4 C 1 -4.726 -12.025 2.383 8 H5 C 1 H5 C 1 -4.662 -11.002 -1.058 9 H6 C 1 H6 C 1 -6.815 -11.003 -2.336 10 H5T C 1 H5T C 1 -7.075 -13.159 -5.876 11 1H2* C 1 H2' C 1 -8.822 -9.955 -2.585 12 2H2* C 1 H2'' C 1 -10.316 -9.969 -1.668 13 1H5* C 2 H5'' C 2 -12.317 -10.125 -0.532 14 2H5* C 2 H5' C 2 -13.886 -9.392 -0.894 15 H4* C 2 H4' C 2 -12.646 -7.970 0.705 16 H3* C 2 H3' C 2 -13.814 -6.932 -1.658 17 H1* C 2 H1' C 2 -10.436 -5.896 -0.246 18 1H4 C 2 1H4 C 2 -5.472 -7.610 -4.264 19 2H4 C 2 2H4 C 2 -4.953 -7.785 -2.610 20 H5 C 2 H5 C 2 -7.755 -7.005 -4.693 21 H6 C 2 H6 C 2 -9.965 -6.542 -3.674 22 1H2* C 2 H2' C 2 -11.815 -6.810 -2.823 23 2H2* C 2 H2'' C 2 -11.753 -5.188 -2.125 24 1H5* G 3 H5'' G 3 -12.138 -4.460 1.587 25 2H5* G 3 H5' G 3 -12.995 -2.989 1.993 26 H4* G 3 H4' G 3 -10.732 -2.927 2.719 27 H3* G 3 H3' G 3 -11.662 -0.733 1.127 28 H1* G 3 H1' G 3 -8.217 -2.226 1.522 29 H8 G 3 H8 G 3 -9.099 -2.711 -2.183 30 H1 G 3 H1 G 3 -3.507 -5.317 -0.347 31 1H2 G 3 1H2 G 3 -4.581 -4.369 2.724 32 2H2 G 3 2H2 G 3 -3.284 -5.149 1.859 33 1H2* G 3 H2' G 3 -10.166 -1.354 -0.653 34 2H2* G 3 H2'' G 3 -9.101 -0.286 0.270 35 1H5* C 4 H5'' C 4 -10.030 -2.080 4.572 36 2H5* C 4 H5' C 4 -11.793 -2.105 4.582 37 H4* C 4 H4' C 4 -11.666 -1.908 7.138 38 H3* C 4 H3' C 4 -8.996 -1.305 7.036 39 H1* C 4 H1' C 4 -10.008 -4.990 7.512 40 1H4 C 4 1H4 C 4 -9.680 -8.020 1.589 41 2H4 C 4 2H4 C 4 -9.835 -9.188 2.886 42 H5 C 4 H5 C 4 -9.475 -5.716 2.123 43 H6 C 4 H6 C 4 -9.492 -4.022 3.971 44 1H2* C 4 H2' C 4 -8.336 -3.214 5.696 45 2H2* C 4 H2'' C 4 -7.980 -3.811 7.304 46 1H5* C 5 H5'' C 5 -6.548 -3.656 8.843 47 2H5* C 5 H5' C 5 -5.980 -2.777 10.253 48 H4* C 5 H4' C 5 -4.135 -3.075 8.612 49 H3* C 5 H3' C 5 -4.729 -0.686 9.969 50 H1* C 5 H1' C 5 -3.620 -0.935 6.387 51 1H4 C 5 1H4 C 5 -8.413 0.697 2.185 52 2H4 C 5 2H4 C 5 -6.986 0.333 1.226 53 H5 C 5 H5 C 5 -8.421 0.693 4.479 54 H6 C 5 H6 C 5 -7.161 0.107 6.540 55 1H2* C 5 H2' C 5 -5.817 0.322 8.106 56 2H2* C 5 H2'' C 5 -4.173 0.910 7.831 57 1H5* G 6 H5'' G 6 -1.214 2.607 10.165 58 2H5* G 6 H5' G 6 -2.363 1.988 8.997 59 H4* G 6 H4' G 6 0.597 2.160 8.247 60 H3* G 6 H3' G 6 -0.914 4.506 8.870 61 H1* G 6 H1' G 6 -0.387 3.149 5.378 62 H8 G 6 H8 G 6 -4.129 3.022 6.340 63 H1 G 6 H1 G 6 -2.774 1.724 0.189 64 1H2 G 6 1H2 G 6 0.384 1.721 1.316 65 2H2 G 6 2H2 G 6 -0.603 1.559 -0.115 66 1H2* G 6 H2' G 6 -2.523 4.298 7.220 67 2H2* G 6 H2'' G 6 -1.305 5.152 6.278 68 1H5* C 101 H5'' C 101 -4.707 6.292 -3.188 69 2H5* C 101 H5' C 101 -4.902 7.782 -2.280 70 H4* C 101 H4' C 101 -3.052 8.757 -3.926 71 H3* C 101 H3' C 101 -3.026 6.273 -5.099 72 H1* C 101 H1' C 101 -0.605 6.894 -2.058 73 1H4 C 101 1H4 C 101 -2.532 5.600 3.648 74 2H4 C 101 2H4 C 101 -4.106 4.915 3.270 75 H5 C 101 H5 C 101 -4.711 4.828 0.902 76 H6 C 101 H6 C 101 -3.937 5.402 -1.405 77 H5T C 101 H5T C 101 -5.189 7.484 -5.060 78 1H2* C 101 H2' C 101 -2.674 4.974 -3.139 79 2H2* C 101 H2'' C 101 -1.001 5.176 -3.586 80 1H5* C 102 H5'' C 102 1.096 5.187 -4.515 81 2H5* C 102 H5' C 102 1.677 4.887 -6.158 82 H4* C 102 H4' C 102 1.891 2.824 -4.844 83 H3* C 102 H3' C 102 0.576 2.845 -7.352 84 H1* C 102 H1' C 102 -0.500 0.848 -4.331 85 1H4 C 102 1H4 C 102 -5.263 2.332 -0.521 86 2H4 C 102 2H4 C 102 -6.288 2.783 -1.853 87 H5 C 102 H5 C 102 -5.431 2.766 -4.068 88 H6 C 102 H6 C 102 -3.403 2.435 -5.473 89 1H2* C 102 H2' C 102 -1.570 2.837 -6.399 90 2H2* C 102 H2'' C 102 -1.364 1.086 -6.581 91 1H5* G 103 H5'' G 103 1.300 -0.742 -4.981 92 2H5* G 103 H5' G 103 1.922 -2.129 -5.850 93 H4* G 103 H4' G 103 0.934 -2.780 -3.814 94 H3* G 103 H3' G 103 -0.166 -4.008 -6.218 95 H1* G 103 H1' G 103 -1.381 -3.401 -2.697 96 H8 G 103 H8 G 103 -4.020 -1.787 -4.973 97 H1 G 103 H1 G 103 -4.730 -0.678 1.326 98 1H2 G 103 1H2 G 103 -1.740 -2.246 1.483 99 2H2 G 103 2H2 G 103 -2.958 -1.454 2.445 100 1H2* G 103 H2' G 103 -2.370 -3.328 -5.574 101 2H2* G 103 H2'' G 103 -2.252 -4.760 -4.536 102 1H5* C 104 H5'' C 104 2.299 -4.301 -3.335 103 2H5* C 104 H5' C 104 3.237 -4.314 -4.816 104 H4* C 104 H4' C 104 5.134 -5.375 -3.564 105 H3* C 104 H3' C 104 3.522 -6.337 -1.591 106 H1* C 104 H1' C 104 5.290 -3.006 -0.948 107 1H4 C 104 1H4 C 104 1.005 1.977 -1.992 108 2H4 C 104 2H4 C 104 2.568 2.583 -1.471 109 H5 C 104 H5 C 104 0.670 -0.378 -2.113 110 H6 C 104 H6 C 104 1.769 -2.606 -1.974 111 1H2* C 104 H2' C 104 2.504 -4.247 -1.033 112 2H2* C 104 H2'' C 104 3.704 -4.317 0.209 113 1H5* C 105 H5'' C 105 4.622 -4.660 1.980 114 2H5* C 105 H5' C 105 5.170 -5.987 2.973 115 H4* C 105 H4' C 105 3.056 -4.959 3.865 116 H3* C 105 H3' C 105 3.661 -7.679 3.806 117 H1* C 105 H1' C 105 0.285 -6.309 2.922 118 1H4 C 105 1H4 C 105 -2.508 -6.230 -2.710 119 2H4 C 105 2H4 C 105 -1.046 -6.789 -3.525 120 H5 C 105 H5 C 105 0.897 -7.262 -2.392 121 H6 C 105 H6 C 105 2.069 -7.240 -0.177 122 1H2* C 105 H2' C 105 2.476 -8.080 1.753 123 2H2* C 105 H2'' C 105 1.234 -8.507 2.934 124 1H5* G 106 H5'' G 106 1.653 -10.730 6.365 125 2H5* G 106 H5' G 106 1.422 -9.837 4.883 126 H4* G 106 H4' G 106 -0.929 -10.243 6.799 127 H3* G 106 H3' G 106 0.402 -12.318 5.207 128 H1* G 106 H1' G 106 -2.891 -10.446 4.502 129 H8 G 106 H8 G 106 -0.176 -10.194 1.778 130 H1 G 106 H1 G 106 -5.857 -7.717 0.109 131 1H2 G 106 1H2 G 106 -6.619 -8.281 3.340 132 2H2 G 106 2H2 G 106 -7.250 -7.696 1.816 133 H3T G 106 H3T G 106 -0.983 -12.380 7.069 134 1H2* G 106 H2' G 106 -0.508 -11.822 3.200 135 2H2* G 106 H2'' G 106 -1.983 -12.540 3.826 Start of MODEL 5 1 1H5* C 1 H5'' C 1 -8.923 -12.404 -4.722 2 2H5* C 1 H5' C 1 -7.713 -12.300 -3.468 3 H4* C 1 H4' C 1 -10.275 -13.925 -3.048 4 H3* C 1 H3' C 1 -10.538 -11.231 -3.606 5 H1* C 1 H1' C 1 -10.134 -12.456 0.031 6 1H4 C 1 1H4 C 1 -4.763 -12.012 3.063 7 2H4 C 1 2H4 C 1 -3.732 -11.742 1.669 8 H5 C 1 H5 C 1 -4.815 -11.355 -0.458 9 H6 C 1 H6 C 1 -7.007 -11.482 -1.663 10 H5T C 1 H5T C 1 -8.716 -14.629 -4.707 11 1H2* C 1 H2' C 1 -9.006 -10.459 -1.958 12 2H2* C 1 H2'' C 1 -10.475 -10.358 -1.012 13 1H5* C 2 H5'' C 2 -12.447 -10.293 0.108 14 2H5* C 2 H5' C 2 -14.005 -9.576 -0.301 15 H4* C 2 H4' C 2 -12.682 -8.009 1.083 16 H3* C 2 H3' C 2 -13.907 -7.212 -1.353 17 H1* C 2 H1' C 2 -10.523 -6.083 -0.057 18 1H4 C 2 1H4 C 2 -5.616 -7.995 -4.020 19 2H4 C 2 2H4 C 2 -5.026 -8.026 -2.387 20 H5 C 2 H5 C 2 -7.888 -7.488 -4.445 21 H6 C 2 H6 C 2 -10.095 -6.990 -3.437 22 1H2* C 2 H2' C 2 -11.925 -7.204 -2.544 23 2H2* C 2 H2'' C 2 -11.851 -5.524 -2.004 24 1H5* G 3 H5'' G 3 -12.108 -4.408 1.550 25 2H5* G 3 H5' G 3 -12.931 -2.881 1.798 26 H4* G 3 H4' G 3 -10.622 -2.779 2.412 27 H3* G 3 H3' G 3 -11.658 -0.785 0.586 28 H1* G 3 H1' G 3 -8.216 -2.193 1.175 29 H8 G 3 H8 G 3 -8.944 -2.867 -2.524 30 H1 G 3 H1 G 3 -3.515 -5.508 -0.303 31 1H2 G 3 1H2 G 3 -4.726 -4.429 2.672 32 2H2 G 3 2H2 G 3 -3.402 -5.272 1.908 33 1H2* G 3 H2' G 3 -10.122 -1.507 -1.102 34 2H2* G 3 H2'' G 3 -9.073 -0.367 -0.246 35 1H5* C 4 H5'' C 4 -10.008 -1.689 4.212 36 2H5* C 4 H5' C 4 -11.758 -1.817 4.114 37 H4* C 4 H4' C 4 -11.795 -1.255 6.637 38 H3* C 4 H3' C 4 -9.113 -0.685 6.568 39 H1* C 4 H1' C 4 -10.199 -4.275 7.489 40 1H4 C 4 1H4 C 4 -9.628 -7.974 1.986 41 2H4 C 4 2H4 C 4 -9.892 -8.985 3.396 42 H5 C 4 H5 C 4 -9.406 -5.634 2.257 43 H6 C 4 H6 C 4 -9.499 -3.735 3.895 44 1H2* C 4 H2' C 4 -8.410 -2.758 5.555 45 2H2* C 4 H2'' C 4 -8.156 -3.144 7.243 46 1H5* C 5 H5'' C 5 -6.817 -2.873 8.780 47 2H5* C 5 H5' C 5 -6.243 -1.842 10.074 48 H4* C 5 H4' C 5 -4.392 -2.494 8.521 49 H3* C 5 H3' C 5 -4.767 0.061 9.605 50 H1* C 5 H1' C 5 -3.692 -0.634 6.075 51 1H4 C 5 1H4 C 5 -6.981 0.298 0.811 52 2H4 C 5 2H4 C 5 -8.422 0.762 1.707 53 H5 C 5 H5 C 5 -8.438 0.988 3.998 54 H6 C 5 H6 C 5 -7.185 0.555 6.123 55 1H2* C 5 H2' C 5 -5.792 0.948 7.634 56 2H2* C 5 H2'' C 5 -4.107 1.372 7.338 57 1H5* G 6 H5'' G 6 -0.675 2.786 9.754 58 2H5* G 6 H5' G 6 -1.873 2.328 8.559 59 H4* G 6 H4' G 6 1.114 1.900 8.025 60 H3* G 6 H3' G 6 0.073 4.511 8.292 61 H1* G 6 H1' G 6 0.262 2.743 4.914 62 H8 G 6 H8 G 6 -3.368 3.154 6.141 63 H1 G 6 H1 G 6 -2.715 1.513 -0.038 64 1H2 G 6 1H2 G 6 0.525 1.200 0.813 65 2H2 G 6 2H2 G 6 -0.612 1.092 -0.507 66 1H2* G 6 H2' G 6 -1.595 4.372 6.689 67 2H2* G 6 H2'' G 6 -0.282 4.930 5.654 68 1H5* C 101 H5'' C 101 -5.431 6.343 -4.240 69 2H5* C 101 H5' C 101 -4.989 6.184 -2.554 70 H4* C 101 H4' C 101 -3.616 8.289 -4.290 71 H3* C 101 H3' C 101 -3.494 5.667 -5.193 72 H1* C 101 H1' C 101 -0.820 7.126 -2.834 73 1H4 C 101 1H4 C 101 -2.052 4.679 3.224 74 2H4 C 101 2H4 C 101 -0.376 5.181 3.019 75 H5 C 101 H5 C 101 -3.473 4.721 1.266 76 H6 C 101 H6 C 101 -3.598 5.427 -1.128 77 H5T C 101 H5T C 101 -6.716 7.601 -2.905 78 1H2* C 101 H2' C 101 -2.649 4.727 -3.170 79 2H2* C 101 H2'' C 101 -1.120 5.060 -3.970 80 1H5* C 102 H5'' C 102 0.669 5.072 -5.254 81 2H5* C 102 H5' C 102 1.042 4.679 -6.932 82 H4* C 102 H4' C 102 1.602 2.769 -5.439 83 H3* C 102 H3' C 102 0.142 2.460 -7.830 84 H1* C 102 H1' C 102 -0.655 0.669 -4.576 85 1H4 C 102 1H4 C 102 -6.296 2.771 -1.858 86 2H4 C 102 2H4 C 102 -5.204 2.282 -0.597 87 H5 C 102 H5 C 102 -5.551 2.779 -4.133 88 H6 C 102 H6 C 102 -3.623 2.381 -5.653 89 1H2* C 102 H2' C 102 -1.938 2.342 -6.798 90 2H2* C 102 H2'' C 102 -1.589 0.614 -6.782 91 1H5* G 103 H5'' G 103 1.336 -0.949 -5.319 92 2H5* G 103 H5' G 103 1.977 -2.339 -6.173 93 H4* G 103 H4' G 103 1.188 -2.962 -4.038 94 H3* G 103 H3' G 103 0.077 -4.380 -6.298 95 H1* G 103 H1' G 103 -1.205 -3.678 -2.822 96 H8 G 103 H8 G 103 -3.802 -2.115 -5.177 97 H1 G 103 H1 G 103 -4.671 -0.811 1.065 98 1H2 G 103 1H2 G 103 -1.708 -2.402 1.378 99 2H2 G 103 2H2 G 103 -2.948 -1.542 2.252 100 1H2* G 103 H2' G 103 -2.125 -3.623 -5.728 101 2H2* G 103 H2'' G 103 -2.053 -5.049 -4.688 102 1H5* C 104 H5'' C 104 2.369 -4.444 -3.024 103 2H5* C 104 H5' C 104 3.302 -4.178 -4.484 104 H4* C 104 H4' C 104 5.300 -5.237 -3.256 105 H3* C 104 H3' C 104 3.657 -6.141 -1.263 106 H1* C 104 H1' C 104 5.352 -2.702 -0.769 107 1H4 C 104 1H4 C 104 0.800 1.879 -2.350 108 2H4 C 104 2H4 C 104 2.237 2.645 -1.691 109 H5 C 104 H5 C 104 0.678 -0.469 -2.481 110 H6 C 104 H6 C 104 1.916 -2.604 -2.134 111 1H2* C 104 H2' C 104 2.619 -4.041 -0.763 112 2H2* C 104 H2'' C 104 3.861 -4.033 0.449 113 1H5* C 105 H5'' C 105 4.431 -4.495 2.316 114 2H5* C 105 H5' C 105 4.989 -5.816 3.305 115 H4* C 105 H4' C 105 2.751 -4.932 4.051 116 H3* C 105 H3' C 105 3.552 -7.611 4.016 117 H1* C 105 H1' C 105 0.169 -6.427 3.006 118 1H4 C 105 1H4 C 105 -1.023 -6.764 -3.474 119 2H4 C 105 2H4 C 105 -2.515 -6.327 -2.646 120 H5 C 105 H5 C 105 0.922 -7.247 -2.317 121 H6 C 105 H6 C 105 2.054 -7.244 -0.072 122 1H2* C 105 H2' C 105 2.484 -8.067 1.897 123 2H2* C 105 H2'' C 105 1.228 -8.575 3.036 124 1H5* G 106 H5'' G 106 1.680 -10.696 6.691 125 2H5* G 106 H5' G 106 1.510 -9.868 5.158 126 H4* G 106 H4' G 106 -0.933 -10.375 6.943 127 H3* G 106 H3' G 106 0.586 -12.320 5.316 128 H1* G 106 H1' G 106 -2.799 -10.571 4.621 129 H8 G 106 H8 G 106 -0.074 -10.362 1.908 130 H1 G 106 H1 G 106 -5.724 -7.833 0.198 131 1H2 G 106 1H2 G 106 -6.497 -8.315 3.428 132 2H2 G 106 2H2 G 106 -7.111 -7.752 1.891 133 H3T G 106 H3T G 106 -0.737 -12.574 7.194 134 1H2* G 106 H2' G 106 -0.397 -11.928 3.339 135 2H2* G 106 H2'' G 106 -1.855 -12.652 3.995 Start of MODEL 6 1 1H5* C 1 H5'' C 1 -9.025 -12.159 -5.471 2 2H5* C 1 H5' C 1 -7.632 -12.053 -4.418 3 H4* C 1 H4' C 1 -10.034 -13.750 -3.605 4 H3* C 1 H3' C 1 -10.424 -11.022 -4.111 5 H1* C 1 H1' C 1 -9.528 -12.402 -0.567 6 1H4 C 1 1H4 C 1 -3.048 -11.000 0.170 7 2H4 C 1 2H4 C 1 -3.801 -11.712 1.595 8 H5 C 1 H5 C 1 -4.500 -10.628 -1.755 9 H6 C 1 H6 C 1 -6.837 -10.939 -2.629 10 H5T C 1 H5T C 1 -8.799 -14.389 -5.499 11 1H2* C 1 H2' C 1 -8.921 -10.162 -2.526 12 2H2* C 1 H2'' C 1 -10.274 -10.350 -1.438 13 1H5* C 2 H5'' C 2 -12.254 -10.288 -0.331 14 2H5* C 2 H5' C 2 -13.831 -9.579 -0.684 15 H4* C 2 H4' C 2 -12.486 -8.014 0.673 16 H3* C 2 H3' C 2 -13.700 -7.175 -1.784 17 H1* C 2 H1' C 2 -10.372 -6.092 -0.321 18 1H4 C 2 1H4 C 2 -4.793 -7.852 -2.463 19 2H4 C 2 2H4 C 2 -5.226 -7.738 -4.144 20 H5 C 2 H5 C 2 -7.525 -7.196 -4.680 21 H6 C 2 H6 C 2 -9.796 -6.773 -3.742 22 1H2* C 2 H2' C 2 -11.682 -7.037 -2.930 23 2H2* C 2 H2'' C 2 -11.641 -5.405 -2.260 24 1H5* G 3 H5'' G 3 -12.128 -4.506 1.411 25 2H5* G 3 H5' G 3 -12.956 -2.985 1.683 26 H4* G 3 H4' G 3 -10.676 -2.987 2.437 27 H3* G 3 H3' G 3 -11.615 -0.821 0.782 28 H1* G 3 H1' G 3 -8.185 -2.333 1.269 29 H8 G 3 H8 G 3 -9.025 -2.800 -2.456 30 H1 G 3 H1 G 3 -3.436 -5.353 -0.542 31 1H2 G 3 1H2 G 3 -4.593 -4.537 2.530 32 2H2 G 3 2H2 G 3 -3.207 -5.110 1.634 33 1H2* G 3 H2' G 3 -10.042 -1.369 -0.944 34 2H2* G 3 H2'' G 3 -9.003 -0.366 0.070 35 1H5* C 4 H5'' C 4 -10.267 -2.028 4.258 36 2H5* C 4 H5' C 4 -12.018 -1.830 4.312 37 H4* C 4 H4' C 4 -11.899 -1.680 6.793 38 H3* C 4 H3' C 4 -9.221 -1.115 6.805 39 H1* C 4 H1' C 4 -10.303 -4.742 7.322 40 1H4 C 4 1H4 C 4 -9.525 -8.076 1.620 41 2H4 C 4 2H4 C 4 -9.834 -9.166 2.958 42 H5 C 4 H5 C 4 -9.301 -5.759 2.052 43 H6 C 4 H6 C 4 -9.476 -3.964 3.801 44 1H2* C 4 H2' C 4 -8.512 -3.046 5.532 45 2H2* C 4 H2'' C 4 -8.242 -3.629 7.165 46 1H5* C 5 H5'' C 5 -6.902 -3.652 8.736 47 2H5* C 5 H5' C 5 -6.392 -2.778 10.178 48 H4* C 5 H4' C 5 -4.435 -3.134 8.668 49 H3* C 5 H3' C 5 -5.060 -0.750 9.955 50 H1* C 5 H1' C 5 -3.838 -0.971 6.428 51 1H4 C 5 1H4 C 5 -8.417 0.834 2.072 52 2H4 C 5 2H4 C 5 -7.006 0.330 1.138 53 H5 C 5 H5 C 5 -8.505 0.775 4.346 54 H6 C 5 H6 C 5 -7.346 0.127 6.441 55 1H2* C 5 H2' C 5 -6.104 0.269 8.079 56 2H2* C 5 H2'' C 5 -4.466 0.864 7.818 57 1H5* G 6 H5'' G 6 -0.080 1.721 9.830 58 2H5* G 6 H5' G 6 -1.489 1.454 8.820 59 H4* G 6 H4' G 6 0.870 -0.445 8.483 60 H3* G 6 H3' G 6 1.551 2.251 8.266 61 H1* G 6 H1' G 6 0.332 0.335 5.188 62 H8 G 6 H8 G 6 -2.738 2.017 6.812 63 H1 G 6 H1 G 6 -2.860 1.606 0.390 64 1H2 G 6 1H2 G 6 0.180 0.224 0.889 65 2H2 G 6 2H2 G 6 -0.925 0.757 -0.354 66 1H2* G 6 H2' G 6 -0.136 2.902 6.734 67 2H2* G 6 H2'' G 6 1.168 2.503 5.610 68 1H5* C 101 H5'' C 101 -4.924 5.974 -2.043 69 2H5* C 101 H5' C 101 -5.041 7.527 -1.232 70 H4* C 101 H4' C 101 -3.810 8.533 -3.318 71 H3* C 101 H3' C 101 -3.931 6.026 -4.459 72 H1* C 101 H1' C 101 -0.776 7.036 -2.458 73 1H4 C 101 1H4 C 101 0.300 4.637 3.126 74 2H4 C 101 2H4 C 101 -1.356 4.238 3.559 75 H5 C 101 H5 C 101 -3.055 4.610 1.845 76 H6 C 101 H6 C 101 -3.458 5.521 -0.440 77 H5T C 101 H5T C 101 -6.045 6.936 -3.794 78 1H2* C 101 H2' C 101 -2.899 4.867 -2.635 79 2H2* C 101 H2'' C 101 -1.483 5.111 -3.635 80 1H5* C 102 H5'' C 102 0.235 5.182 -5.042 81 2H5* C 102 H5' C 102 0.375 4.865 -6.770 82 H4* C 102 H4' C 102 0.990 2.845 -5.438 83 H3* C 102 H3' C 102 -0.776 2.758 -7.649 84 H1* C 102 H1' C 102 -1.267 0.828 -4.370 85 1H4 C 102 1H4 C 102 -6.439 3.163 -0.976 86 2H4 C 102 2H4 C 102 -5.190 2.690 0.142 87 H5 C 102 H5 C 102 -5.985 3.121 -3.336 88 H6 C 102 H6 C 102 -4.272 2.637 -5.075 89 1H2* C 102 H2' C 102 -2.726 2.589 -6.410 90 2H2* C 102 H2'' C 102 -2.388 0.859 -6.472 91 1H5* G 103 H5'' G 103 0.964 -0.847 -5.695 92 2H5* G 103 H5' G 103 1.279 -2.257 -6.691 93 H4* G 103 H4' G 103 0.948 -2.759 -4.354 94 H3* G 103 H3' G 103 -0.445 -4.268 -6.361 95 H1* G 103 H1' G 103 -1.368 -3.422 -2.784 96 H8 G 103 H8 G 103 -3.956 -1.647 -5.037 97 H1 G 103 H1 G 103 -4.757 -0.777 1.298 98 1H2 G 103 1H2 G 103 -1.942 -2.595 1.485 99 2H2 G 103 2H2 G 103 -3.108 -1.708 2.435 100 1H2* G 103 H2' G 103 -2.585 -3.492 -5.573 101 2H2* G 103 H2'' G 103 -2.366 -4.860 -4.478 102 1H5* C 104 H5'' C 104 2.209 -4.219 -3.636 103 2H5* C 104 H5' C 104 3.112 -4.345 -5.135 104 H4* C 104 H4' C 104 5.073 -5.172 -3.855 105 H3* C 104 H3' C 104 3.569 -6.122 -1.797 106 H1* C 104 H1' C 104 5.141 -2.677 -1.373 107 1H4 C 104 1H4 C 104 0.525 2.022 -2.263 108 2H4 C 104 2H4 C 104 2.062 2.717 -1.777 109 H5 C 104 H5 C 104 0.343 -0.334 -2.450 110 H6 C 104 H6 C 104 1.580 -2.498 -2.374 111 1H2* C 104 H2' C 104 2.425 -4.065 -1.326 112 2H2* C 104 H2'' C 104 3.658 -3.999 -0.105 113 1H5* C 105 H5'' C 105 4.812 -4.065 1.624 114 2H5* C 105 H5' C 105 5.347 -5.301 2.743 115 H4* C 105 H4' C 105 3.238 -4.121 3.530 116 H3* C 105 H3' C 105 3.818 -6.827 3.839 117 H1* C 105 H1' C 105 0.490 -5.560 2.750 118 1H4 C 105 1H4 C 105 -1.020 -7.011 -3.489 119 2H4 C 105 2H4 C 105 -2.463 -6.363 -2.700 120 H5 C 105 H5 C 105 0.972 -7.294 -2.366 121 H6 C 105 H6 C 105 2.218 -6.912 -0.219 122 1H2* C 105 H2' C 105 2.677 -7.474 1.808 123 2H2* C 105 H2'' C 105 1.421 -7.755 3.010 124 1H5* G 106 H5'' G 106 1.845 -9.457 6.576 125 2H5* G 106 H5' G 106 1.384 -8.749 5.050 126 H4* G 106 H4' G 106 -0.708 -9.128 7.248 127 H3* G 106 H3' G 106 0.554 -11.363 6.078 128 H1* G 106 H1' G 106 -2.697 -9.941 4.779 129 H8 G 106 H8 G 106 0.101 -9.417 2.190 130 H1 G 106 H1 G 106 -5.769 -7.780 0.179 131 1H2 G 106 1H2 G 106 -6.623 -8.404 3.369 132 2H2 G 106 2H2 G 106 -7.225 -7.844 1.823 133 H3T G 106 H3T G 106 -2.109 -10.811 6.742 134 1H2* G 106 H2' G 106 0.064 -10.839 3.853 135 2H2* G 106 H2'' G 106 -1.342 -11.831 4.230
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