NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8235 | 1luu | 5531 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 27 1H5' C 27 -1.991 13.931 -2.254 2 2H5* C 27 2H5' C 27 -1.996 12.148 -2.329 3 H4* C 27 H4' C 27 -4.403 13.999 -2.609 4 H3* C 27 H3' C 27 -3.692 11.698 -0.745 5 H2* C 27 H2' C 27 -5.992 11.527 -0.282 6 2HO* C 27 2HO* C 27 -6.243 13.826 0.016 7 H1* C 27 H1' C 27 -6.730 12.290 -2.916 8 1H4 C 27 1H4 C 27 -8.079 6.147 -3.254 9 2H4 C 27 2H4 C 27 -6.458 5.857 -3.835 10 H5 C 27 H5 C 27 -4.673 7.508 -3.674 11 H6 C 27 H6 C 27 -4.192 9.846 -3.246 12 H5T C 27 H5' C 27 -1.327 12.912 -4.281 13 1H5* C 28 1H5' C 28 -5.207 13.891 2.658 14 2H5* C 28 2H5' C 28 -4.149 13.305 3.957 15 H4* C 28 H4' C 28 -6.510 12.501 4.103 16 H3* C 28 H3' C 28 -4.430 10.323 3.633 17 H2* C 28 H2' C 28 -6.238 8.808 4.090 18 2HO* C 28 2HO* C 28 -6.927 9.964 5.963 19 H1* C 28 H1' C 28 -8.179 10.536 2.895 20 1H4 C 28 1H4 C 28 -7.115 5.214 -0.638 21 2H4 C 28 2H4 C 28 -5.482 5.717 -0.949 22 H5 C 28 H5 C 28 -4.547 7.847 -0.161 23 H6 C 28 H6 C 28 -4.998 9.828 1.125 24 1H5* A 29 1H5' A 29 -3.950 7.685 8.028 25 2H5* A 29 2H5' A 29 -4.166 7.471 6.418 26 H4* A 29 H4' A 29 -6.310 7.308 8.647 27 H3* A 29 H3' A 29 -4.484 5.301 7.316 28 H2* A 29 H2' A 29 -6.183 3.627 7.369 29 2HO* A 29 2HO* A 29 -8.109 3.950 8.469 30 H1* A 29 H1' A 29 -8.160 5.231 6.403 31 H8 A 29 H8 A 29 -5.025 6.645 4.909 32 1H6 A 29 1H6 A 29 -6.015 2.402 0.393 33 2H6 A 29 2H6 A 29 -5.181 3.890 0.756 34 H2 A 29 H2 A 29 -8.274 1.200 4.025 35 1H5* G 30 1H5' G 30 -5.701 2.765 10.443 36 2H5* G 30 2H5' G 30 -4.273 1.963 11.142 37 H4* G 30 H4' G 30 -5.973 0.399 10.245 38 H3* G 30 H3' G 30 -3.230 0.384 8.962 39 H2* G 30 H2' G 30 -3.997 -1.476 7.639 40 2HO* G 30 2HO* G 30 -5.068 -2.478 9.460 41 H1* G 30 H1' G 30 -6.366 -0.593 7.067 42 H8 G 30 H8 G 30 -4.204 2.439 6.873 43 H1 G 30 H1 G 30 -4.172 -1.356 1.664 44 1H2 G 30 1H2 G 30 -5.081 -3.367 2.220 45 2H2 G 30 2H2 G 30 -5.769 -3.635 3.806 46 1H5* A 31 1H5' A 31 -1.188 -4.106 9.419 47 2H5* A 31 2H5' A 31 -1.377 -2.758 8.360 48 H4* A 31 H4' A 31 -3.042 -5.346 8.258 49 H3* A 31 H3' A 31 -0.371 -4.525 7.145 50 H2* A 31 H2' A 31 -0.808 -5.246 4.983 51 2HO* A 31 2HO* A 31 -3.090 -6.581 6.021 52 H1* A 31 H1' A 31 -3.450 -4.432 4.840 53 H8 A 31 H8 A 31 -2.296 -1.529 6.586 54 1H6 A 31 1H6 A 31 0.305 0.242 1.122 55 2H6 A 31 2H6 A 31 -0.165 0.825 2.706 56 H2 A 31 H2 A 31 -0.638 -4.094 0.928 57 1HN4 OMC 32 1H4 OMC 32 2.622 0.483 3.643 58 2HN4 OMC 32 2H4 OMC 32 2.003 0.091 5.246 59 H5 OMC 32 H5 OMC 32 1.626 -2.209 5.994 60 H6 OMC 32 H6 OMC 32 1.653 -4.551 5.316 61 H1* OMC 32 H1' OMC 32 2.043 -5.580 1.896 62 H2* OMC 32 H2' OMC 32 4.356 -5.569 3.618 63 1HM2 OMC 32 1H2A OMC 32 2.972 -6.785 0.445 64 2HM2 OMC 32 2H2A OMC 32 2.630 -8.072 1.617 65 3HM2 OMC 32 3H2A OMC 32 4.019 -8.188 0.557 66 H3* OMC 32 H3' OMC 32 3.563 -6.755 5.309 67 H4* OMC 32 H4' OMC 32 1.762 -8.188 3.474 68 1H5* OMC 32 1H5' OMC 32 0.091 -8.009 5.319 69 2H5* OMC 32 2H5' OMC 32 1.592 -8.785 5.864 70 1H5* U 33 1H5' U 33 8.113 -8.158 3.435 71 2H5* U 33 2H5' U 33 6.994 -6.924 2.913 72 H4* U 33 H4' U 33 7.270 -9.363 1.180 73 H3* U 33 H3' U 33 9.657 -7.739 1.893 74 H2* U 33 H2' U 33 9.743 -6.244 0.231 75 2HO* U 33 2HO* U 33 10.520 -8.198 -0.971 76 H1* U 33 H1' U 33 7.492 -7.126 -1.405 77 H3 U 33 H3 U 33 8.205 -2.604 -2.022 78 H5 U 33 H5 U 33 6.223 -2.932 1.683 79 H6 U 33 H6 U 33 6.474 -5.322 1.557 80 H1* OMG 34 H1' OMG 34 14.373 -9.188 -2.767 81 H2* OMG 34 H2' OMG 34 14.898 -6.738 -1.214 82 H3* OMG 34 H3' OMG 34 14.374 -7.468 0.828 83 H4* OMG 34 H4' OMG 34 14.488 -10.338 0.062 84 1HM2 OMG 34 1H2A OMG 34 15.970 -6.809 -3.253 85 2HM2 OMG 34 2H2A OMG 34 17.226 -6.469 -2.030 86 3HM2 OMG 34 3H2A OMG 34 17.516 -7.700 -3.273 87 1H5* OMG 34 1H5' OMG 34 13.171 -9.384 2.119 88 2H5* OMG 34 2H5' OMG 34 12.214 -8.417 0.981 89 H8 OMG 34 H8 OMG 34 12.842 -5.796 -1.380 90 HN1 OMG 34 H1 OMG 34 10.620 -7.722 -7.092 91 1HN2 OMG 34 1H2 OMG 34 11.834 -9.474 -7.842 92 2HN2 OMG 34 2H2 OMG 34 13.094 -10.195 -6.869 93 1H5* A 35 1H5' A 35 18.685 -5.849 0.029 94 2H5* A 35 2H5' A 35 18.328 -5.001 1.543 95 H4* A 35 H4' A 35 18.080 -3.209 0.243 96 H3* A 35 H3' A 35 15.413 -4.288 0.549 97 H2* A 35 H2' A 35 15.561 -4.985 -1.830 98 2HO* A 35 2HO* A 35 13.760 -3.404 -1.301 99 H1* A 35 H1' A 35 16.879 -2.513 -2.160 100 H8 A 35 H8 A 35 19.189 -4.126 -3.928 101 1H6 A 35 1H6 A 35 16.055 -3.666 -9.185 102 2H6 A 35 2H6 A 35 17.555 -4.164 -8.421 103 H2 A 35 H2 A 35 13.291 -2.515 -5.878 104 1H5* A 36 1H5' A 36 15.629 -0.405 -1.710 105 2H5* A 36 2H5' A 36 15.078 0.847 -0.581 106 H4* A 36 H4' A 36 14.506 1.540 -2.767 107 H3* A 36 H3' A 36 12.725 1.449 -0.776 108 H2* A 36 H2' A 36 11.672 -0.573 -1.655 109 2HO* A 36 2HO* A 36 10.076 1.344 -1.689 110 H1* A 36 H1' A 36 12.082 0.880 -4.300 111 H8 A 36 H8 A 36 11.527 -2.775 -2.870 112 1H6 A 36 1H6 A 36 8.861 -3.921 -8.291 113 2H6 A 36 2H6 A 36 9.499 -4.602 -6.807 114 H2 A 36 H2 A 36 9.757 0.470 -8.110 115 H1* 1MG 37 H1' 1MG 37 5.947 2.618 -2.477 116 H2* 1MG 37 H2' 1MG 37 6.682 5.185 -3.863 117 H3* 1MG 37 H3' 1MG 37 8.076 4.581 -5.425 118 H4* 1MG 37 H4' 1MG 37 8.428 1.866 -4.610 119 *HO2 1MG 37 2HO* 1MG 37 5.240 4.635 -5.518 120 1H5* 1MG 37 1H5' 1MG 37 10.424 3.655 -4.540 121 2H5* 1MG 37 2H5' 1MG 37 9.351 4.728 -3.616 122 H8 1MG 37 H8 1MG 37 8.561 4.251 -0.786 123 1HN2 1MG 37 1H2 1MG 37 1.075 4.561 -0.951 124 2HN2 1MG 37 2H2 1MG 37 1.787 3.836 -2.360 125 1HM1 1MG 37 1H1A 1MG 37 1.320 4.319 0.862 126 2HM1 1MG 37 2H1A 1MG 37 1.752 6.067 0.860 127 3HM1 1MG 37 3H1A 1MG 37 2.280 4.929 2.177 128 1H5* A 38 1H5' A 38 6.613 1.116 -8.943 129 2H5* A 38 2H5' A 38 4.961 1.259 -9.510 130 H4* A 38 H4' A 38 5.825 -0.891 -8.295 131 H3* A 38 H3' A 38 3.208 0.461 -7.588 132 H2* A 38 H2' A 38 2.842 -1.265 -6.074 133 2HO* A 38 2HO* A 38 3.042 -2.951 -7.599 134 H1* A 38 H1' A 38 5.710 -1.867 -5.810 135 H8 A 38 H8 A 38 4.425 1.372 -4.527 136 1H6 A 38 1H6 A 38 3.362 -1.617 0.845 137 2H6 A 38 2H6 A 38 3.514 -0.078 0.041 138 H2 A 38 H2 A 38 4.059 -4.746 -2.493 139 H1 A 38 H1 A 38 3.690 -3.605 -0.395 140 1H5* U 39 1H5' U 39 -0.650 -2.791 -8.837 141 2H5* U 39 2H5' U 39 -0.194 -1.427 -7.816 142 H4* U 39 H4' U 39 0.127 -4.394 -7.125 143 H3* U 39 H3' U 39 -1.741 -2.130 -6.329 144 H2* U 39 H2' U 39 -1.959 -3.074 -4.207 145 2HO* U 39 2HO* U 39 -2.448 -5.170 -4.907 146 H1* U 39 H1' U 39 0.639 -4.215 -4.168 147 H3 U 39 H3 U 39 0.168 -1.696 -0.373 148 H5 U 39 H5 U 39 1.139 1.117 -3.347 149 H6 U 39 H6 U 39 0.780 -0.473 -5.000 150 1HN4 5MC 40 1H4 5MC 40 -2.675 -0.179 0.601 151 2HN4 5MC 40 2H4 5MC 40 -2.659 0.405 -1.035 152 1HM5 5MC 40 1H5A 5MC 40 -3.961 0.110 -3.212 153 2HM5 5MC 40 2H5A 5MC 40 -2.229 -0.302 -3.114 154 3HM5 5MC 40 3H5A 5MC 40 -3.276 -1.139 -4.265 155 H6 5MC 40 H6 5MC 40 -4.303 -3.146 -3.578 156 H1* 5MC 40 H1' 5MC 40 -4.301 -5.997 -1.253 157 H2* 5MC 40 H2' 5MC 40 -6.743 -4.669 -1.531 158 *HO2 5MC 40 2HO* 5MC 40 -7.398 -6.960 -2.109 159 H3* 5MC 40 H3' 5MC 40 -6.448 -4.272 -3.896 160 H4* 5MC 40 H4' 5MC 40 -5.351 -7.105 -4.017 161 1H5* 5MC 40 1H5' 5MC 40 -4.036 -6.315 -5.893 162 2H5* 5MC 40 2H5' 5MC 40 -5.738 -5.904 -6.199 163 1H5* U 41 1H5' U 41 -9.284 -6.584 -1.421 164 2H5* U 41 2H5' U 41 -10.914 -5.954 -1.722 165 H4* U 41 H4' U 41 -10.079 -5.727 0.676 166 H3* U 41 H3' U 41 -10.887 -3.259 -0.889 167 H2* U 41 H2' U 41 -10.493 -1.981 1.103 168 2HO* U 41 2HO* U 41 -11.584 -3.578 2.412 169 H1* U 41 H1' U 41 -8.203 -3.458 1.901 170 H3 U 41 H3 U 41 -6.695 0.745 1.265 171 H5 U 41 H5 U 41 -6.850 -0.955 -2.586 172 H6 U 41 H6 U 41 -8.117 -2.772 -1.676 173 1H5* G 42 1H5' G 42 -13.727 -2.738 2.654 174 2H5* G 42 2H5' G 42 -15.262 -2.316 1.861 175 H4* G 42 H4' G 42 -14.411 -0.529 3.424 176 H3* G 42 H3' G 42 -14.653 0.116 0.465 177 H2* G 42 H2' G 42 -14.004 2.343 0.974 178 2HO* G 42 2HO* G 42 -15.510 2.446 2.765 179 H1* G 42 H1' G 42 -12.291 1.599 3.129 180 H8 G 42 H8 G 42 -11.438 -0.296 -0.067 181 H1 G 42 H1 G 42 -8.733 5.521 0.415 182 1H2 G 42 1H2 G 42 -9.950 6.769 1.878 183 2H2 G 42 2H2 G 42 -11.289 6.085 2.770 184 1H5* G 43 1H5' G 43 -17.215 3.631 2.312 185 2H5* G 43 2H5' G 43 -18.460 3.708 1.049 186 H4* G 43 H4' G 43 -17.289 5.851 1.233 187 H3* G 43 H3' G 43 -16.527 4.356 -1.307 188 H2* G 43 H2' G 43 -15.610 6.373 -2.041 189 2HO* G 43 2HO* G 43 -16.447 8.218 -1.422 190 H1* G 43 H1' G 43 -14.651 6.959 0.550 191 H8 G 43 H8 G 43 -14.213 3.481 -1.099 192 H1 G 43 H1 G 43 -9.402 7.591 -2.261 193 1H2 G 43 1H2 G 43 -9.909 9.607 -1.394 194 2H2 G 43 2H2 G 43 -11.405 9.885 -0.532 195 H3T G 43 HO3' G 43 -18.806 4.722 -1.038 Start of MODEL 2 1 1H5* C 27 1H5' C 27 -0.993 12.666 -2.595 2 2H5* C 27 2H5' C 27 -1.256 10.965 -3.091 3 H4* C 27 H4' C 27 -3.403 13.106 -2.805 4 H3* C 27 H3' C 27 -2.934 10.517 -1.259 5 H2* C 27 H2' C 27 -5.215 10.760 -0.619 6 2HO* C 27 2HO* C 27 -5.072 13.401 -1.644 7 H1* C 27 H1' C 27 -5.946 11.800 -3.151 8 1H4 C 27 1H4 C 27 -8.159 5.912 -3.814 9 2H4 C 27 2H4 C 27 -6.602 5.427 -4.441 10 H5 C 27 H5 C 27 -4.605 6.834 -4.305 11 H6 C 27 H6 C 27 -3.791 9.022 -3.725 12 H5T C 27 H5' C 27 -0.593 12.311 -4.815 13 1H5* C 28 1H5' C 28 -4.167 13.009 2.130 14 2H5* C 28 2H5' C 28 -3.277 12.403 3.545 15 H4* C 28 H4' C 28 -5.707 12.036 3.775 16 H3* C 28 H3' C 28 -4.186 9.447 3.243 17 H2* C 28 H2' C 28 -6.285 8.377 3.794 18 2HO* C 28 2HO* C 28 -8.006 9.640 4.610 19 H1* C 28 H1' C 28 -7.761 10.332 2.410 20 1H4 C 28 1H4 C 28 -7.204 4.925 -1.093 21 2H4 C 28 2H4 C 28 -5.503 5.218 -1.365 22 H5 C 28 H5 C 28 -4.343 7.224 -0.500 23 H6 C 28 H6 C 28 -4.565 9.164 0.881 24 1H5* A 29 1H5' A 29 -6.109 9.003 7.039 25 2H5* A 29 2H5' A 29 -4.961 8.656 8.359 26 H4* A 29 H4' A 29 -6.898 7.292 8.661 27 H3* A 29 H3' A 29 -4.548 5.638 7.605 28 H2* A 29 H2' A 29 -5.946 3.739 7.588 29 2HO* A 29 2HO* A 29 -6.854 4.178 9.672 30 H1* A 29 H1' A 29 -8.230 4.948 6.640 31 H8 A 29 H8 A 29 -5.430 6.667 4.814 32 1H6 A 29 1H6 A 29 -6.222 2.331 0.493 33 2H6 A 29 2H6 A 29 -5.480 3.864 0.878 34 H2 A 29 H2 A 29 -8.245 0.937 4.269 35 1H5* G 30 1H5' G 30 -2.938 2.290 10.344 36 2H5* G 30 2H5' G 30 -3.350 2.826 8.714 37 H4* G 30 H4' G 30 -4.964 0.819 10.366 38 H3* G 30 H3' G 30 -2.807 0.529 8.254 39 H2* G 30 H2' G 30 -3.998 -1.410 7.453 40 2HO* G 30 2HO* G 30 -4.648 -2.011 9.716 41 H1* G 30 H1' G 30 -6.292 -0.329 7.252 42 H8 G 30 H8 G 30 -4.075 2.592 6.723 43 H1 G 30 H1 G 30 -4.154 -1.375 1.691 44 1H2 G 30 1H2 G 30 -5.067 -3.312 2.257 45 2H2 G 30 2H2 G 30 -5.690 -3.621 3.862 46 1H5* A 31 1H5' A 31 -3.387 -3.484 9.332 47 2H5* A 31 2H5' A 31 -1.844 -4.286 9.698 48 H4* A 31 H4' A 31 -3.165 -5.431 7.904 49 H3* A 31 H3' A 31 -0.473 -4.235 7.189 50 H2* A 31 H2' A 31 -0.741 -5.093 4.973 51 2HO* A 31 2HO* A 31 -2.485 -6.489 4.482 52 H1* A 31 H1' A 31 -3.421 -4.403 4.739 53 H8 A 31 H8 A 31 -2.371 -1.271 6.317 54 1H6 A 31 1H6 A 31 0.367 0.254 0.966 55 2H6 A 31 2H6 A 31 -0.170 0.853 2.518 56 H2 A 31 H2 A 31 -0.617 -4.115 0.842 57 1HN4 OMC 32 1H4 OMC 32 2.469 0.574 3.480 58 2HN4 OMC 32 2H4 OMC 32 1.941 0.173 5.097 59 H5 OMC 32 H5 OMC 32 1.568 -2.141 5.850 60 H6 OMC 32 H6 OMC 32 1.692 -4.485 5.176 61 H1* OMC 32 H1' OMC 32 2.036 -5.420 1.700 62 H2* OMC 32 H2' OMC 32 4.381 -5.615 3.240 63 1HM2 OMC 32 1H2A OMC 32 2.091 -7.413 1.049 64 2HM2 OMC 32 2H2A OMC 32 3.162 -8.730 1.579 65 3HM2 OMC 32 3H2A OMC 32 3.448 -7.895 0.050 66 H3* OMC 32 H3' OMC 32 3.565 -6.688 5.027 67 H4* OMC 32 H4' OMC 32 1.619 -8.080 3.257 68 1H5* OMC 32 1H5' OMC 32 0.055 -7.846 5.147 69 2H5* OMC 32 2H5' OMC 32 1.549 -8.629 5.699 70 1H5* U 33 1H5' U 33 7.842 -7.438 3.127 71 2H5* U 33 2H5' U 33 6.247 -6.993 2.619 72 H4* U 33 H4' U 33 7.023 -9.153 0.899 73 H3* U 33 H3' U 33 9.451 -7.666 1.587 74 H2* U 33 H2' U 33 9.433 -6.017 0.032 75 2HO* U 33 2HO* U 33 9.544 -6.601 -2.144 76 H1* U 33 H1' U 33 7.175 -7.081 -1.606 77 H3 U 33 H3 U 33 7.537 -2.598 -2.701 78 H5 U 33 H5 U 33 6.277 -2.609 1.326 79 H6 U 33 H6 U 33 6.466 -4.992 1.329 80 H1* OMG 34 H1' OMG 34 14.413 -8.954 -3.143 81 H2* OMG 34 H2' OMG 34 14.813 -6.539 -1.812 82 H3* OMG 34 H3' OMG 34 14.050 -7.048 0.345 83 H4* OMG 34 H4' OMG 34 14.211 -10.001 0.134 84 1HM2 OMG 34 1H2A OMG 34 16.861 -6.341 -2.816 85 2HM2 OMG 34 2H2A OMG 34 17.037 -6.426 -1.054 86 3HM2 OMG 34 3H2A OMG 34 18.112 -7.381 -2.081 87 1H5* OMG 34 1H5' OMG 34 12.538 -8.735 1.605 88 2H5* OMG 34 2H5' OMG 34 11.782 -8.093 0.126 89 H8 OMG 34 H8 OMG 34 12.525 -5.755 -1.721 90 HN1 OMG 34 H1 OMG 34 11.935 -7.014 -7.996 91 1HN2 OMG 34 1H2 OMG 34 12.959 -8.950 -8.503 92 2HN2 OMG 34 2H2 OMG 34 13.702 -9.953 -7.278 93 1H5* A 35 1H5' A 35 18.340 -5.592 0.790 94 2H5* A 35 2H5' A 35 17.761 -4.823 2.279 95 H4* A 35 H4' A 35 17.904 -2.993 0.886 96 H3* A 35 H3' A 35 15.242 -3.724 1.397 97 H2* A 35 H2' A 35 15.175 -4.862 -0.736 98 2HO* A 35 2HO* A 35 13.375 -3.438 -0.487 99 H1* A 35 H1' A 35 16.444 -2.353 -1.656 100 H8 A 35 H8 A 35 18.718 -3.485 -3.455 101 1H6 A 35 1H6 A 35 15.204 -3.886 -8.474 102 2H6 A 35 2H6 A 35 16.820 -4.083 -7.835 103 H2 A 35 H2 A 35 12.522 -3.175 -4.958 104 1H5* A 36 1H5' A 36 15.412 -0.179 -1.598 105 2H5* A 36 2H5' A 36 14.971 1.218 -0.601 106 H4* A 36 H4' A 36 14.255 1.564 -2.873 107 H3* A 36 H3' A 36 12.729 2.049 -0.747 108 H2* A 36 H2' A 36 11.483 -0.023 -0.987 109 2HO* A 36 2HO* A 36 9.931 1.759 -2.540 110 H1* A 36 H1' A 36 11.577 0.747 -3.944 111 H8 A 36 H8 A 36 10.981 -2.389 -1.624 112 1H6 A 36 1H6 A 36 7.889 -4.648 -6.473 113 2H6 A 36 2H6 A 36 8.399 -4.934 -4.824 114 H2 A 36 H2 A 36 9.544 -0.655 -7.651 115 H1* 1MG 37 H1' 1MG 37 5.694 2.632 -3.139 116 H2* 1MG 37 H2' 1MG 37 6.527 5.493 -3.115 117 H3* 1MG 37 H3' 1MG 37 7.537 5.376 -5.293 118 H4* 1MG 37 H4' 1MG 37 8.889 3.085 -4.902 119 *HO2 1MG 37 2HO* 1MG 37 4.353 4.668 -3.200 120 1H5* 1MG 37 1H5' 1MG 37 9.869 5.122 -4.214 121 2H5* 1MG 37 2H5' 1MG 37 8.755 5.342 -2.841 122 H8 1MG 37 H8 1MG 37 8.400 3.627 -0.722 123 1HN2 1MG 37 1H2 1MG 37 0.918 3.817 -0.091 124 2HN2 1MG 37 2H2 1MG 37 1.508 3.681 -1.726 125 1HM1 1MG 37 1H1A 1MG 37 1.478 2.917 1.810 126 2HM1 1MG 37 2H1A 1MG 37 1.446 4.701 1.791 127 3HM1 1MG 37 3H1A 1MG 37 2.367 3.831 3.016 128 1H5* A 38 1H5' A 38 6.076 1.853 -8.592 129 2H5* A 38 2H5' A 38 4.405 2.047 -9.119 130 H4* A 38 H4' A 38 5.124 -0.269 -8.593 131 H3* A 38 H3' A 38 2.971 0.851 -6.779 132 H2* A 38 H2' A 38 2.819 -1.343 -5.911 133 2HO* A 38 2HO* A 38 2.990 -2.217 -8.204 134 H1* A 38 H1' A 38 5.590 -1.904 -6.086 135 H8 A 38 H8 A 38 4.667 1.340 -4.650 136 1H6 A 38 1H6 A 38 3.171 -1.595 0.646 137 2H6 A 38 2H6 A 38 3.433 -0.024 -0.066 138 H2 A 38 H2 A 38 3.966 -4.705 -2.608 139 H1 A 38 H1 A 38 3.473 -3.538 -0.571 140 1H5* U 39 1H5' U 39 1.201 -2.844 -8.493 141 2H5* U 39 2H5' U 39 -0.512 -2.519 -8.803 142 H4* U 39 H4' U 39 -0.048 -4.368 -7.093 143 H3* U 39 H3' U 39 -1.647 -1.897 -6.363 144 H2* U 39 H2' U 39 -2.004 -2.802 -4.227 145 2HO* U 39 2HO* U 39 -1.677 -4.998 -3.785 146 H1* U 39 H1' U 39 0.479 -4.180 -4.090 147 H3 U 39 H3 U 39 0.106 -1.441 -0.422 148 H5 U 39 H5 U 39 1.214 1.200 -3.491 149 H6 U 39 H6 U 39 0.945 -0.471 -5.059 150 1HN4 5MC 40 1H4 5MC 40 -2.474 -0.354 0.748 151 2HN4 5MC 40 2H4 5MC 40 -2.388 0.257 -0.883 152 1HM5 5MC 40 1H5A 5MC 40 -3.756 0.290 -2.775 153 2HM5 5MC 40 2H5A 5MC 40 -2.189 -0.470 -3.127 154 3HM5 5MC 40 3H5A 5MC 40 -3.623 -0.908 -4.074 155 H6 5MC 40 H6 5MC 40 -4.375 -3.043 -3.491 156 H1* 5MC 40 H1' 5MC 40 -4.458 -6.014 -1.294 157 H2* 5MC 40 H2' 5MC 40 -6.831 -4.574 -1.552 158 *HO2 5MC 40 2HO* 5MC 40 -6.601 -6.702 -0.766 159 H3* 5MC 40 H3' 5MC 40 -6.523 -4.104 -3.887 160 H4* 5MC 40 H4' 5MC 40 -5.493 -6.951 -4.147 161 1H5* 5MC 40 1H5' 5MC 40 -4.067 -6.059 -5.918 162 2H5* 5MC 40 2H5' 5MC 40 -5.764 -5.663 -6.272 163 1H5* U 41 1H5' U 41 -9.338 -6.477 -1.524 164 2H5* U 41 2H5' U 41 -10.975 -5.832 -1.748 165 H4* U 41 H4' U 41 -10.127 -5.720 0.631 166 H3* U 41 H3' U 41 -10.782 -3.107 -0.775 167 H2* U 41 H2' U 41 -10.433 -2.041 1.370 168 2HO* U 41 2HO* U 41 -11.490 -3.700 2.580 169 H1* U 41 H1' U 41 -8.134 -3.541 1.935 170 H3 U 41 H3 U 41 -6.631 0.664 1.361 171 H5 U 41 H5 U 41 -6.880 -0.934 -2.523 172 H6 U 41 H6 U 41 -8.155 -2.744 -1.632 173 1H5* G 42 1H5' G 42 -13.725 -2.714 2.606 174 2H5* G 42 2H5' G 42 -15.258 -2.298 1.804 175 H4* G 42 H4' G 42 -14.585 -0.545 3.425 176 H3* G 42 H3' G 42 -14.510 0.219 0.481 177 H2* G 42 H2' G 42 -13.955 2.444 1.155 178 2HO* G 42 2HO* G 42 -15.528 2.425 2.900 179 H1* G 42 H1' G 42 -12.255 1.650 3.228 180 H8 G 42 H8 G 42 -11.565 -0.488 0.139 181 H1 G 42 H1 G 42 -8.586 5.199 0.218 182 1H2 G 42 1H2 G 42 -9.639 6.571 1.653 183 2H2 G 42 2H2 G 42 -10.989 6.039 2.629 184 1H5* G 43 1H5' G 43 -16.969 3.682 2.218 185 2H5* G 43 2H5' G 43 -18.233 3.853 0.985 186 H4* G 43 H4' G 43 -16.971 5.946 1.176 187 H3* G 43 H3' G 43 -16.312 4.416 -1.376 188 H2* G 43 H2' G 43 -15.252 6.326 -2.135 189 2HO* G 43 2HO* G 43 -15.463 8.313 -1.002 190 H1* G 43 H1' G 43 -14.232 6.898 0.433 191 H8 G 43 H8 G 43 -14.097 3.350 -1.118 192 H1 G 43 H1 G 43 -8.998 7.027 -2.482 193 1H2 G 43 1H2 G 43 -9.297 9.080 -1.632 194 2H2 G 43 2H2 G 43 -10.730 9.515 -0.729 195 H3T G 43 HO3' G 43 -18.560 4.943 -1.048 Start of MODEL 3 1 1H5* C 27 1H5' C 27 -1.316 11.450 -4.880 2 2H5* C 27 2H5' C 27 -0.601 12.307 -3.476 3 H4* C 27 H4' C 27 -2.922 12.785 -3.370 4 H3* C 27 H3' C 27 -2.621 10.269 -1.656 5 H2* C 27 H2' C 27 -4.857 10.745 -0.979 6 2HO* C 27 2HO* C 27 -4.488 13.025 -0.738 7 H1* C 27 H1' C 27 -5.616 11.559 -3.568 8 1H4 C 27 1H4 C 27 -7.917 5.652 -3.554 9 2H4 C 27 2H4 C 27 -6.424 5.104 -4.276 10 H5 C 27 H5 C 27 -4.433 6.511 -4.459 11 H6 C 27 H6 C 27 -3.562 8.720 -4.130 12 H5T C 27 H5' C 27 0.131 10.146 -3.693 13 1H5* C 28 1H5' C 28 -3.614 12.993 1.643 14 2H5* C 28 2H5' C 28 -2.671 12.411 3.033 15 H4* C 28 H4' C 28 -5.091 12.182 3.425 16 H3* C 28 H3' C 28 -3.744 9.490 2.946 17 H2* C 28 H2' C 28 -5.871 8.577 3.677 18 2HO* C 28 2HO* C 28 -7.463 9.968 4.515 19 H1* C 28 H1' C 28 -7.322 10.487 2.241 20 1H4 C 28 1H4 C 28 -6.995 4.820 -0.867 21 2H4 C 28 2H4 C 28 -5.306 5.066 -1.235 22 H5 C 28 H5 C 28 -4.108 7.144 -0.632 23 H6 C 28 H6 C 28 -4.244 9.178 0.619 24 1H5* A 29 1H5' A 29 -5.404 9.225 6.983 25 2H5* A 29 2H5' A 29 -4.129 8.813 8.162 26 H4* A 29 H4' A 29 -6.029 7.500 8.709 27 H3* A 29 H3' A 29 -4.060 5.773 7.152 28 H2* A 29 H2' A 29 -5.592 3.934 7.525 29 2HO* A 29 2HO* A 29 -7.458 4.283 8.808 30 H1* A 29 H1' A 29 -7.806 5.331 6.773 31 H8 A 29 H8 A 29 -5.114 6.881 4.682 32 1H6 A 29 1H6 A 29 -6.064 2.231 0.695 33 2H6 A 29 2H6 A 29 -5.325 3.795 0.923 34 H2 A 29 H2 A 29 -7.927 1.128 4.639 35 1H5* G 30 1H5' G 30 -5.277 3.334 10.556 36 2H5* G 30 2H5' G 30 -3.836 2.683 11.366 37 H4* G 30 H4' G 30 -5.463 0.911 10.750 38 H3* G 30 H3' G 30 -2.758 0.857 9.392 39 H2* G 30 H2' G 30 -3.420 -1.145 8.278 40 2HO* G 30 2HO* G 30 -4.378 -2.116 10.126 41 H1* G 30 H1' G 30 -5.940 -0.415 7.714 42 H8 G 30 H8 G 30 -3.765 2.626 7.076 43 H1 G 30 H1 G 30 -4.217 -1.529 2.206 44 1H2 G 30 1H2 G 30 -5.036 -3.472 2.936 45 2H2 G 30 2H2 G 30 -5.499 -3.714 4.605 46 1H5* A 31 1H5' A 31 -0.230 -2.989 9.719 47 2H5* A 31 2H5' A 31 -1.032 -1.879 8.624 48 H4* A 31 H4' A 31 -2.118 -4.685 9.106 49 H3* A 31 H3' A 31 0.251 -3.855 7.467 50 H2* A 31 H2' A 31 -0.474 -5.034 5.536 51 2HO* A 31 2HO* A 31 -2.289 -6.423 5.638 52 H1* A 31 H1' A 31 -3.090 -4.250 5.615 53 H8 A 31 H8 A 31 -1.970 -1.043 6.841 54 1H6 A 31 1H6 A 31 0.154 0.237 1.183 55 2H6 A 31 2H6 A 31 -0.222 0.891 2.759 56 H2 A 31 H2 A 31 -0.639 -4.170 1.394 57 1HN4 OMC 32 1H4 OMC 32 2.816 0.621 3.150 58 2HN4 OMC 32 2H4 OMC 32 2.336 0.421 4.824 59 H5 OMC 32 H5 OMC 32 1.887 -1.789 5.830 60 H6 OMC 32 H6 OMC 32 1.973 -4.192 5.430 61 H1* OMC 32 H1' OMC 32 2.164 -5.613 2.152 62 H2* OMC 32 H2' OMC 32 4.690 -5.284 3.523 63 1HM2 OMC 32 1H2A OMC 32 3.282 -6.612 0.620 64 2HM2 OMC 32 2H2A OMC 32 2.718 -7.808 1.828 65 3HM2 OMC 32 3H2A OMC 32 4.083 -8.167 0.772 66 H3* OMC 32 H3' OMC 32 4.148 -6.230 5.476 67 H4* OMC 32 H4' OMC 32 2.278 -8.015 4.023 68 1H5* OMC 32 1H5' OMC 32 0.760 -7.662 6.001 69 2H5* OMC 32 2H5' OMC 32 2.353 -8.261 6.520 70 1H5* U 33 1H5' U 33 8.630 -7.670 3.385 71 2H5* U 33 2H5' U 33 7.431 -6.462 3.038 72 H4* U 33 H4' U 33 7.606 -8.889 1.253 73 H3* U 33 H3' U 33 9.938 -7.118 1.633 74 H2* U 33 H2' U 33 9.735 -5.603 -0.057 75 2HO* U 33 2HO* U 33 10.533 -7.324 -1.367 76 H1* U 33 H1' U 33 7.336 -6.617 -1.354 77 H3 U 33 H3 U 33 7.446 -2.028 -1.892 78 H5 U 33 H5 U 33 6.243 -2.631 2.105 79 H6 U 33 H6 U 33 6.544 -4.979 1.788 80 H1* OMG 34 H1' OMG 34 14.677 -8.427 -3.136 81 H2* OMG 34 H2' OMG 34 14.860 -5.813 -2.011 82 H3* OMG 34 H3' OMG 34 14.314 -6.260 0.196 83 H4* OMG 34 H4' OMG 34 14.783 -9.190 -0.019 84 1HM2 OMG 34 1H2A OMG 34 18.063 -6.391 -2.988 85 2HM2 OMG 34 2H2A OMG 34 16.510 -5.715 -3.569 86 3HM2 OMG 34 3H2A OMG 34 17.106 -5.335 -1.933 87 1H5* OMG 34 1H5' OMG 34 13.152 -8.122 1.685 88 2H5* OMG 34 2H5' OMG 34 12.208 -7.494 0.313 89 H8 OMG 34 H8 OMG 34 12.620 -5.176 -2.120 90 HN1 OMG 34 H1 OMG 34 11.906 -7.341 -8.143 91 1HN2 OMG 34 1H2 OMG 34 13.901 -10.025 -7.103 92 2HN2 OMG 34 2H2 OMG 34 13.030 -9.267 -8.416 93 1H5* A 35 1H5' A 35 18.560 -4.423 -0.306 94 2H5* A 35 2H5' A 35 18.192 -3.549 1.188 95 H4* A 35 H4' A 35 18.013 -1.809 -0.265 96 H3* A 35 H3' A 35 15.469 -2.635 0.546 97 H2* A 35 H2' A 35 15.248 -3.937 -1.474 98 2HO* A 35 2HO* A 35 13.411 -2.578 -1.160 99 H1* A 35 H1' A 35 16.226 -1.472 -2.758 100 H8 A 35 H8 A 35 18.459 -2.691 -4.618 101 1H6 A 35 1H6 A 35 14.551 -3.947 -9.189 102 2H6 A 35 2H6 A 35 16.225 -3.986 -8.685 103 H2 A 35 H2 A 35 12.153 -2.881 -5.558 104 1H5* A 36 1H5' A 36 15.037 0.708 -2.661 105 2H5* A 36 2H5' A 36 14.558 2.141 -1.735 106 H4* A 36 H4' A 36 13.591 2.148 -3.971 107 H3* A 36 H3' A 36 12.288 2.862 -1.775 108 H2* A 36 H2' A 36 11.207 0.725 -1.480 109 2HO* A 36 2HO* A 36 9.524 2.299 -1.579 110 H1* A 36 H1' A 36 10.799 0.914 -4.506 111 H8 A 36 H8 A 36 10.903 -1.745 -1.583 112 1H6 A 36 1H6 A 36 8.356 -5.554 -5.730 113 2H6 A 36 2H6 A 36 8.943 -5.389 -4.089 114 H2 A 36 H2 A 36 8.902 -1.568 -7.697 115 H1* 1MG 37 H1' 1MG 37 4.961 2.496 -4.235 116 H2* 1MG 37 H2' 1MG 37 5.692 5.218 -5.201 117 H3* 1MG 37 H3' 1MG 37 7.066 4.483 -6.994 118 H4* 1MG 37 H4' 1MG 37 8.373 2.496 -5.706 119 *HO2 1MG 37 2HO* 1MG 37 3.597 4.249 -5.310 120 1H5* 1MG 37 1H5' 1MG 37 9.276 4.656 -5.659 121 2H5* 1MG 37 2H5' 1MG 37 7.946 5.341 -4.699 122 H8 1MG 37 H8 1MG 37 7.382 4.706 -2.299 123 1HN2 1MG 37 1H2 1MG 37 -0.102 4.146 -2.084 124 2HN2 1MG 37 2H2 1MG 37 0.645 3.331 -3.434 125 1HM1 1MG 37 1H1A 1MG 37 0.296 4.405 -0.011 126 2HM1 1MG 37 2H1A 1MG 37 0.194 5.952 -0.892 127 3HM1 1MG 37 3H1A 1MG 37 1.027 5.852 0.661 128 1H5* A 38 1H5' A 38 5.865 0.125 -9.468 129 2H5* A 38 2H5' A 38 4.221 0.181 -10.096 130 H4* A 38 H4' A 38 5.098 -1.862 -8.760 131 H3* A 38 H3' A 38 2.458 -0.545 -8.148 132 H2* A 38 H2' A 38 2.264 -1.813 -6.258 133 2HO* A 38 2HO* A 38 2.083 -3.799 -7.350 134 H1* A 38 H1' A 38 5.098 -2.743 -6.298 135 H8 A 38 H8 A 38 4.383 0.614 -5.044 136 1H6 A 38 1H6 A 38 3.703 -1.870 0.620 137 2H6 A 38 2H6 A 38 3.826 -0.371 -0.261 138 H2 A 38 H2 A 38 3.650 -5.240 -2.476 139 H1 A 38 H1 A 38 3.723 -3.921 -0.470 140 1H5* U 39 1H5' U 39 -1.394 -3.138 -8.481 141 2H5* U 39 2H5' U 39 -0.421 -1.994 -7.528 142 H4* U 39 H4' U 39 -0.587 -4.963 -6.827 143 H3* U 39 H3' U 39 -2.297 -2.594 -6.045 144 H2* U 39 H2' U 39 -2.337 -3.312 -3.834 145 2HO* U 39 2HO* U 39 -3.079 -5.402 -4.267 146 H1* U 39 H1' U 39 0.142 -4.756 -3.951 147 H3 U 39 H3 U 39 0.170 -2.161 -0.155 148 H5 U 39 H5 U 39 1.102 0.550 -3.231 149 H6 U 39 H6 U 39 0.584 -1.037 -4.826 150 1HN4 5MC 40 1H4 5MC 40 -2.719 -0.307 0.863 151 2HN4 5MC 40 2H4 5MC 40 -2.787 0.142 -0.824 152 1HM5 5MC 40 1H5A 5MC 40 -3.936 -1.504 -3.825 153 2HM5 5MC 40 2H5A 5MC 40 -4.028 -0.143 -2.691 154 3HM5 5MC 40 3H5A 5MC 40 -2.476 -0.964 -2.975 155 H6 5MC 40 H6 5MC 40 -4.658 -3.553 -2.958 156 H1* 5MC 40 H1' 5MC 40 -4.524 -6.254 -0.461 157 H2* 5MC 40 H2' 5MC 40 -6.970 -4.921 -0.668 158 *HO2 5MC 40 2HO* 5MC 40 -7.681 -7.236 -0.983 159 H3* 5MC 40 H3' 5MC 40 -6.827 -4.675 -3.060 160 H4* 5MC 40 H4' 5MC 40 -5.757 -7.520 -3.096 161 1H5* 5MC 40 1H5' 5MC 40 -4.525 -6.825 -5.077 162 2H5* 5MC 40 2H5' 5MC 40 -6.248 -6.458 -5.315 163 1H5* U 41 1H5' U 41 -9.429 -6.834 -0.199 164 2H5* U 41 2H5' U 41 -11.095 -6.263 -0.393 165 H4* U 41 H4' U 41 -9.953 -5.832 1.900 166 H3* U 41 H3' U 41 -11.310 -3.702 0.243 167 H2* U 41 H2' U 41 -10.602 -2.016 1.691 168 2HO* U 41 2HO* U 41 -10.098 -2.435 3.871 169 H1* U 41 H1' U 41 -8.285 -3.426 2.723 170 H3 U 41 H3 U 41 -6.494 0.589 1.713 171 H5 U 41 H5 U 41 -7.159 -1.214 -2.028 172 H6 U 41 H6 U 41 -8.420 -2.922 -0.917 173 1H5* G 42 1H5' G 42 -15.177 -1.782 1.356 174 2H5* G 42 2H5' G 42 -13.527 -1.489 0.770 175 H4* G 42 H4' G 42 -14.649 -0.458 3.427 176 H3* G 42 H3' G 42 -14.472 0.741 0.659 177 H2* G 42 H2' G 42 -13.832 2.859 1.582 178 2HO* G 42 2HO* G 42 -15.391 2.696 3.331 179 H1* G 42 H1' G 42 -12.100 1.842 3.468 180 H8 G 42 H8 G 42 -11.554 -0.338 0.427 181 H1 G 42 H1 G 42 -8.420 5.267 0.319 182 1H2 G 42 1H2 G 42 -9.416 6.713 1.724 183 2H2 G 42 2H2 G 42 -10.781 6.253 2.716 184 1H5* G 43 1H5' G 43 -16.685 4.158 2.567 185 2H5* G 43 2H5' G 43 -18.018 4.397 1.417 186 H4* G 43 H4' G 43 -16.688 6.440 1.514 187 H3* G 43 H3' G 43 -16.180 4.861 -1.045 188 H2* G 43 H2' G 43 -15.063 6.691 -1.868 189 2HO* G 43 2HO* G 43 -16.630 8.257 -1.111 190 H1* G 43 H1' G 43 -13.914 7.276 0.633 191 H8 G 43 H8 G 43 -14.040 3.681 -0.783 192 H1 G 43 H1 G 43 -8.830 7.011 -2.551 193 1H2 G 43 1H2 G 43 -8.982 9.113 -1.785 194 2H2 G 43 2H2 G 43 -10.344 9.665 -0.838 195 H3T G 43 HO3' G 43 -18.389 5.497 -0.636 Start of MODEL 4 1 1H5* C 27 1H5' C 27 -2.823 12.557 -4.207 2 2H5* C 27 2H5' C 27 -2.338 13.573 -2.815 3 H4* C 27 H4' C 27 -4.743 13.660 -2.973 4 H3* C 27 H3' C 27 -4.007 11.568 -0.865 5 H2* C 27 H2' C 27 -6.281 11.287 -0.473 6 2HO* C 27 2HO* C 27 -6.620 13.575 -0.211 7 H1* C 27 H1' C 27 -7.103 12.019 -3.125 8 1H4 C 27 1H4 C 27 -8.681 5.948 -3.490 9 2H4 C 27 2H4 C 27 -7.093 5.622 -4.139 10 H5 C 27 H5 C 27 -5.263 7.219 -4.053 11 H6 C 27 H6 C 27 -4.678 9.519 -3.596 12 H5T C 27 H5' C 27 -2.106 11.659 -1.627 13 1H5* C 28 1H5' C 28 -3.603 11.961 3.409 14 2H5* C 28 2H5' C 28 -4.020 11.038 1.949 15 H4* C 28 H4' C 28 -6.016 12.162 3.967 16 H3* C 28 H3' C 28 -5.041 9.333 3.416 17 H2* C 28 H2' C 28 -7.268 8.626 4.162 18 2HO* C 28 2HO* C 28 -7.415 10.242 5.828 19 H1* C 28 H1' C 28 -8.534 10.478 2.587 20 1H4 C 28 1H4 C 28 -7.655 5.076 -0.872 21 2H4 C 28 2H4 C 28 -6.036 5.588 -1.270 22 H5 C 28 H5 C 28 -5.038 7.653 -0.433 23 H6 C 28 H6 C 28 -5.387 9.589 0.914 24 1H5* A 29 1H5' A 29 -6.586 8.897 7.406 25 2H5* A 29 2H5' A 29 -5.300 8.409 8.541 26 H4* A 29 H4' A 29 -7.192 7.023 8.961 27 H3* A 29 H3' A 29 -5.108 5.493 7.349 28 H2* A 29 H2' A 29 -6.564 3.573 7.512 29 2HO* A 29 2HO* A 29 -7.191 4.096 9.727 30 H1* A 29 H1' A 29 -8.827 4.917 6.811 31 H8 A 29 H8 A 29 -6.298 6.834 4.863 32 1H6 A 29 1H6 A 29 -6.650 2.378 0.593 33 2H6 A 29 2H6 A 29 -6.082 3.993 0.941 34 H2 A 29 H2 A 29 -8.542 0.847 4.362 35 1H5* G 30 1H5' G 30 -6.092 2.724 10.744 36 2H5* G 30 2H5' G 30 -4.553 2.067 11.337 37 H4* G 30 H4' G 30 -6.129 0.298 10.650 38 H3* G 30 H3' G 30 -3.652 0.539 8.898 39 H2* G 30 H2' G 30 -4.476 -1.573 7.917 40 2HO* G 30 2HO* G 30 -5.333 -2.288 10.044 41 H1* G 30 H1' G 30 -6.859 -0.683 7.475 42 H8 G 30 H8 G 30 -4.649 2.366 7.190 43 H1 G 30 H1 G 30 -4.668 -1.311 1.962 44 1H2 G 30 1H2 G 30 -5.448 -3.338 2.452 45 2H2 G 30 2H2 G 30 -6.043 -3.749 4.045 46 1H5* A 31 1H5' A 31 -3.919 -3.646 9.689 47 2H5* A 31 2H5' A 31 -2.328 -4.324 10.093 48 H4* A 31 H4' A 31 -3.484 -5.462 8.176 49 H3* A 31 H3' A 31 -0.828 -4.103 7.689 50 H2* A 31 H2' A 31 -0.913 -4.805 5.408 51 2HO* A 31 2HO* A 31 -3.097 -6.445 6.192 52 H1* A 31 H1' A 31 -3.619 -4.309 5.049 53 H8 A 31 H8 A 31 -2.814 -1.222 6.875 54 1H6 A 31 1H6 A 31 -0.058 0.853 1.738 55 2H6 A 31 2H6 A 31 -0.655 1.291 3.322 56 H2 A 31 H2 A 31 -0.805 -3.532 1.234 57 1HN4 OMC 32 1H4 OMC 32 1.923 0.918 4.430 58 2HN4 OMC 32 2H4 OMC 32 1.393 0.378 6.009 59 H5 OMC 32 H5 OMC 32 1.155 -2.001 6.601 60 H6 OMC 32 H6 OMC 32 1.440 -4.269 5.782 61 H1* OMC 32 H1' OMC 32 1.910 -5.031 2.263 62 H2* OMC 32 H2' OMC 32 4.223 -4.993 3.963 63 1HM2 OMC 32 1H2A OMC 32 3.141 -5.903 0.701 64 2HM2 OMC 32 2H2A OMC 32 2.503 -7.234 1.709 65 3HM2 OMC 32 3H2A OMC 32 3.979 -7.448 0.769 66 H3* OMC 32 H3' OMC 32 3.471 -6.262 5.629 67 H4* OMC 32 H4' OMC 32 1.785 -7.761 3.721 68 1H5* OMC 32 1H5' OMC 32 0.059 -7.733 5.520 69 2H5* OMC 32 2H5' OMC 32 1.593 -8.379 6.146 70 1H5* U 33 1H5' U 33 8.095 -7.366 3.649 71 2H5* U 33 2H5' U 33 6.895 -6.214 3.114 72 H4* U 33 H4' U 33 7.296 -8.648 1.385 73 H3* U 33 H3' U 33 9.624 -6.964 2.107 74 H2* U 33 H2' U 33 9.944 -5.725 0.240 75 2HO* U 33 2HO* U 33 9.070 -7.992 -1.204 76 H1* U 33 H1' U 33 7.520 -6.114 -1.198 77 H3 U 33 H3 U 33 8.986 -1.679 -0.872 78 H5 U 33 H5 U 33 6.209 -2.368 2.228 79 H6 U 33 H6 U 33 6.307 -4.712 1.706 80 H1* OMG 34 H1' OMG 34 13.451 -9.276 -3.366 81 H2* OMG 34 H2' OMG 34 14.907 -7.114 -2.513 82 H3* OMG 34 H3' OMG 34 14.641 -7.226 -0.155 83 H4* OMG 34 H4' OMG 34 14.214 -10.139 0.129 84 1HM2 OMG 34 1H2A OMG 34 16.458 -7.653 -4.063 85 2HM2 OMG 34 2H2A OMG 34 17.279 -7.798 -2.498 86 3HM2 OMG 34 3H2A OMG 34 17.489 -9.061 -3.704 87 1H5* OMG 34 1H5' OMG 34 13.213 -8.359 1.667 88 2H5* OMG 34 2H5' OMG 34 12.164 -7.866 0.313 89 H8 OMG 34 H8 OMG 34 12.993 -5.792 -1.594 90 HN1 OMG 34 H1 OMG 34 9.326 -6.983 -6.709 91 1HN2 OMG 34 1H2 OMG 34 9.537 -9.134 -7.338 92 2HN2 OMG 34 2H2 OMG 34 10.548 -10.259 -6.459 93 1H5* A 35 1H5' A 35 19.139 -6.980 -1.490 94 2H5* A 35 2H5' A 35 19.307 -5.791 -0.188 95 H4* A 35 H4' A 35 19.394 -4.538 -2.198 96 H3* A 35 H3' A 35 17.313 -4.026 -0.374 97 H2* A 35 H2' A 35 15.836 -5.307 -1.796 98 2HO* A 35 2HO* A 35 15.567 -2.549 -2.441 99 H1* A 35 H1' A 35 17.190 -3.715 -3.871 100 H8 A 35 H8 A 35 17.697 -5.610 -6.142 101 1H6 A 35 1H6 A 35 12.341 -4.595 -8.882 102 2H6 A 35 2H6 A 35 13.855 -5.463 -8.984 103 H2 A 35 H2 A 35 12.156 -2.821 -4.784 104 1H5* A 36 1H5' A 36 15.956 -0.864 -3.629 105 2H5* A 36 2H5' A 36 16.956 0.487 -3.089 106 H4* A 36 H4' A 36 15.099 1.705 -2.207 107 H3* A 36 H3' A 36 13.690 -0.410 -1.585 108 H2* A 36 H2' A 36 13.741 -1.232 -3.913 109 2HO* A 36 2HO* A 36 11.594 -1.346 -2.985 110 H1* A 36 H1' A 36 12.616 1.389 -4.708 111 H8 A 36 H8 A 36 15.724 0.852 -6.451 112 1H6 A 36 1H6 A 36 12.805 -2.313 -10.896 113 2H6 A 36 2H6 A 36 14.320 -1.595 -10.399 114 H2 A 36 H2 A 36 9.911 -1.640 -7.532 115 H1* 1MG 37 H1' 1MG 37 6.048 3.602 -2.601 116 H2* 1MG 37 H2' 1MG 37 8.196 4.387 -4.316 117 H3* 1MG 37 H3' 1MG 37 9.406 2.437 -4.417 118 H4* 1MG 37 H4' 1MG 37 7.293 0.574 -3.481 119 *HO2 1MG 37 2HO* 1MG 37 6.401 2.936 -5.562 120 1H5* 1MG 37 1H5' 1MG 37 8.876 0.063 -1.736 121 2H5* 1MG 37 2H5' 1MG 37 9.684 -0.009 -3.314 122 H8 1MG 37 H8 1MG 37 9.758 4.705 -2.543 123 1HN2 1MG 37 1H2 1MG 37 4.234 5.285 2.513 124 2HN2 1MG 37 2H2 1MG 37 3.865 4.262 1.149 125 1HM1 1MG 37 1H1A 1MG 37 6.034 6.032 3.743 126 2HM1 1MG 37 2H1A 1MG 37 5.080 7.156 2.740 127 3HM1 1MG 37 3H1A 1MG 37 6.718 7.565 3.188 128 1H5* A 38 1H5' A 38 5.833 1.831 -8.908 129 2H5* A 38 2H5' A 38 4.945 2.946 -7.861 130 H4* A 38 H4' A 38 6.011 0.181 -7.126 131 H3* A 38 H3' A 38 3.208 1.248 -7.437 132 H2* A 38 H2' A 38 2.631 0.073 -5.573 133 2HO* A 38 2HO* A 38 3.469 -2.050 -5.154 134 H1* A 38 H1' A 38 5.517 -0.558 -5.012 135 H8 A 38 H8 A 38 4.074 2.450 -3.507 136 1H6 A 38 1H6 A 38 2.865 -0.999 1.501 137 2H6 A 38 2H6 A 38 2.959 0.628 0.879 138 H2 A 38 H2 A 38 3.882 -3.804 -1.986 139 H1 A 38 H1 A 38 3.330 -2.842 0.139 140 1H5* U 39 1H5' U 39 -0.227 -1.766 -8.490 141 2H5* U 39 2H5' U 39 0.395 -0.583 -7.315 142 H4* U 39 H4' U 39 0.303 -3.590 -6.759 143 H3* U 39 H3' U 39 -1.652 -1.357 -6.154 144 H2* U 39 H2' U 39 -2.045 -2.273 -4.039 145 2HO* U 39 2HO* U 39 -2.498 -4.377 -4.762 146 H1* U 39 H1' U 39 0.537 -3.505 -3.811 147 H3 U 39 H3 U 39 -0.252 -1.138 0.049 148 H5 U 39 H5 U 39 0.711 1.850 -2.741 149 H6 U 39 H6 U 39 0.654 0.298 -4.454 150 1HN4 5MC 40 1H4 5MC 40 -3.029 0.158 0.898 151 2HN4 5MC 40 2H4 5MC 40 -2.976 0.785 -0.732 152 1HM5 5MC 40 1H5A 5MC 40 -2.469 -0.011 -2.941 153 2HM5 5MC 40 2H5A 5MC 40 -3.790 -0.576 -3.980 154 3HM5 5MC 40 3H5A 5MC 40 -4.110 0.638 -2.729 155 H6 5MC 40 H6 5MC 40 -4.443 -2.740 -3.398 156 H1* 5MC 40 H1' 5MC 40 -4.451 -5.682 -1.166 157 H2* 5MC 40 H2' 5MC 40 -6.893 -4.381 -1.574 158 *HO2 5MC 40 2HO* 5MC 40 -6.179 -7.075 -2.157 159 H3* 5MC 40 H3' 5MC 40 -6.491 -3.949 -3.908 160 H4* 5MC 40 H4' 5MC 40 -5.253 -6.715 -4.057 161 1H5* 5MC 40 1H5' 5MC 40 -3.829 -5.810 -5.786 162 2H5* 5MC 40 2H5' 5MC 40 -5.513 -5.423 -6.202 163 1H5* U 41 1H5' U 41 -9.286 -6.544 -1.594 164 2H5* U 41 2H5' U 41 -10.940 -6.010 -1.950 165 H4* U 41 H4' U 41 -10.274 -5.806 0.489 166 H3* U 41 H3' U 41 -11.028 -3.291 -1.037 167 H2* U 41 H2' U 41 -10.862 -2.113 1.062 168 2HO* U 41 2HO* U 41 -11.947 -3.769 2.265 169 H1* U 41 H1' U 41 -8.586 -3.542 1.903 170 H3 U 41 H3 U 41 -6.931 0.633 1.449 171 H5 U 41 H5 U 41 -7.287 -0.769 -2.505 172 H6 U 41 H6 U 41 -8.529 -2.634 -1.670 173 1H5* G 42 1H5' G 42 -13.960 -2.993 2.402 174 2H5* G 42 2H5' G 42 -15.508 -2.618 1.612 175 H4* G 42 H4' G 42 -14.826 -0.855 3.255 176 H3* G 42 H3' G 42 -14.940 -0.092 0.313 177 H2* G 42 H2' G 42 -14.433 2.147 0.946 178 2HO* G 42 2HO* G 42 -15.958 2.126 2.713 179 H1* G 42 H1' G 42 -12.679 1.409 3.036 180 H8 G 42 H8 G 42 -11.896 -0.507 -0.182 181 H1 G 42 H1 G 42 -9.126 5.268 0.339 182 1H2 G 42 1H2 G 42 -10.271 6.506 1.822 183 2H2 G 42 2H2 G 42 -11.613 5.860 2.739 184 1H5* G 43 1H5' G 43 -17.545 3.307 2.112 185 2H5* G 43 2H5' G 43 -18.840 3.346 0.898 186 H4* G 43 H4' G 43 -17.737 5.524 0.977 187 H3* G 43 H3' G 43 -16.971 3.945 -1.515 188 H2* G 43 H2' G 43 -16.068 5.906 -2.358 189 2HO* G 43 2HO* G 43 -16.439 7.910 -1.313 190 H1* G 43 H1' G 43 -15.104 6.659 0.189 191 H8 G 43 H8 G 43 -14.657 3.084 -1.257 192 H1 G 43 H1 G 43 -9.809 7.105 -2.564 193 1H2 G 43 1H2 G 43 -10.304 9.159 -1.814 194 2H2 G 43 2H2 G 43 -11.806 9.512 -0.990 195 H3T G 43 HO3' G 43 -19.254 4.308 -1.187 Start of MODEL 5 1 1H5* C 27 1H5' C 27 -3.143 14.129 -3.416 2 2H5* C 27 2H5' C 27 -2.515 14.961 -1.960 3 H4* C 27 H4' C 27 -4.848 14.820 -1.598 4 H3* C 27 H3' C 27 -3.810 12.208 -0.389 5 H2* C 27 H2' C 27 -5.982 11.992 0.499 6 2HO* C 27 2HO* C 27 -7.462 13.749 0.367 7 H1* C 27 H1' C 27 -7.195 13.074 -1.825 8 1H4 C 27 1H4 C 27 -8.186 6.847 -2.596 9 2H4 C 27 2H4 C 27 -6.713 6.755 -3.532 10 H5 C 27 H5 C 27 -5.087 8.597 -3.643 11 H6 C 27 H6 C 27 -4.666 10.882 -3.009 12 H5T C 27 H5' C 27 -1.950 12.906 -1.162 13 1H5* C 28 1H5' C 28 -5.035 13.848 3.296 14 2H5* C 28 2H5' C 28 -3.842 13.346 4.514 15 H4* C 28 H4' C 28 -6.003 12.281 4.955 16 H3* C 28 H3' C 28 -4.048 10.297 3.725 17 H2* C 28 H2' C 28 -5.646 8.631 4.348 18 2HO* C 28 2HO* C 28 -7.404 9.183 5.699 19 H1* C 28 H1' C 28 -7.803 10.389 3.716 20 1H4 C 28 1H4 C 28 -6.925 5.425 -0.318 21 2H4 C 28 2H4 C 28 -5.397 6.056 -0.874 22 H5 C 28 H5 C 28 -4.530 8.279 -0.127 23 H6 C 28 H6 C 28 -4.867 10.074 1.435 24 1H5* A 29 1H5' A 29 -4.114 8.288 8.533 25 2H5* A 29 2H5' A 29 -3.195 6.963 7.785 26 H4* A 29 H4' A 29 -6.072 7.199 8.439 27 H3* A 29 H3' A 29 -4.086 4.949 8.034 28 H2* A 29 H2' A 29 -5.678 3.486 7.188 29 2HO* A 29 2HO* A 29 -7.060 3.785 9.012 30 H1* A 29 H1' A 29 -7.477 5.315 6.042 31 H8 A 29 H8 A 29 -4.130 6.338 4.717 32 1H6 A 29 1H6 A 29 -5.599 2.650 -0.041 33 2H6 A 29 2H6 A 29 -4.565 3.948 0.502 34 H2 A 29 H2 A 29 -8.098 1.440 3.488 35 1H5* G 30 1H5' G 30 -4.000 1.376 10.855 36 2H5* G 30 2H5' G 30 -3.669 2.036 9.253 37 H4* G 30 H4' G 30 -6.000 0.177 9.965 38 H3* G 30 H3' G 30 -3.234 -0.274 8.831 39 H2* G 30 H2' G 30 -4.084 -1.869 7.313 40 2HO* G 30 2HO* G 30 -5.398 -2.955 8.873 41 H1* G 30 H1' G 30 -6.367 -0.644 6.667 42 H8 G 30 H8 G 30 -3.783 2.077 6.733 43 H1 G 30 H1 G 30 -4.006 -1.267 1.272 44 1H2 G 30 1H2 G 30 -5.097 -3.186 1.593 45 2H2 G 30 2H2 G 30 -5.812 -3.604 3.133 46 1H5* A 31 1H5' A 31 -1.373 -4.371 8.829 47 2H5* A 31 2H5' A 31 -1.871 -3.014 7.838 48 H4* A 31 H4' A 31 -3.327 -5.688 7.711 49 H3* A 31 H3' A 31 -0.660 -4.943 6.561 50 H2* A 31 H2' A 31 -1.203 -5.716 4.389 51 2HO* A 31 2HO* A 31 -2.310 -7.615 5.184 52 H1* A 31 H1' A 31 -3.712 -4.632 4.249 53 H8 A 31 H8 A 31 -2.448 -1.800 6.112 54 1H6 A 31 1H6 A 31 0.587 0.003 1.025 55 2H6 A 31 2H6 A 31 0.054 0.477 2.621 56 H2 A 31 H2 A 31 -0.710 -4.240 0.435 57 1HN4 OMC 32 1H4 OMC 32 2.780 -0.205 3.524 58 2HN4 OMC 32 2H4 OMC 32 2.110 -0.641 5.091 59 H5 OMC 32 H5 OMC 32 1.412 -2.941 5.639 60 H6 OMC 32 H6 OMC 32 1.315 -5.219 4.813 61 H1* OMC 32 H1' OMC 32 1.812 -6.080 1.352 62 H2* OMC 32 H2' OMC 32 4.125 -6.290 3.035 63 1HM2 OMC 32 1H2A OMC 32 3.005 -7.014 -0.151 64 2HM2 OMC 32 2H2A OMC 32 3.594 -8.668 -0.163 65 3HM2 OMC 32 3H2A OMC 32 2.135 -8.294 0.754 66 H3* OMC 32 H3' OMC 32 3.177 -7.360 4.766 67 H4* OMC 32 H4' OMC 32 1.405 -8.769 2.838 68 1H5* OMC 32 1H5' OMC 32 -0.354 -8.490 4.622 69 2H5* OMC 32 2H5' OMC 32 1.065 -9.377 5.225 70 1H5* U 33 1H5' U 33 7.751 -8.925 3.074 71 2H5* U 33 2H5' U 33 6.632 -7.685 2.548 72 H4* U 33 H4' U 33 6.929 -10.068 0.760 73 H3* U 33 H3' U 33 9.324 -8.637 1.558 74 H2* U 33 H2' U 33 9.273 -6.872 0.227 75 2HO* U 33 2HO* U 33 10.556 -8.307 -1.077 76 H1* U 33 H1' U 33 7.276 -7.862 -1.762 77 H3 U 33 H3 U 33 7.938 -3.273 -2.370 78 H5 U 33 H5 U 33 6.105 -3.632 1.414 79 H6 U 33 H6 U 33 6.257 -6.026 1.205 80 H1* OMG 34 H1' OMG 34 14.209 -8.858 -2.977 81 H2* OMG 34 H2' OMG 34 14.446 -6.628 -1.045 82 H3* OMG 34 H3' OMG 34 13.984 -7.728 0.854 83 H4* OMG 34 H4' OMG 34 14.282 -10.422 -0.377 84 1HM2 OMG 34 1H2A OMG 34 15.351 -6.582 -3.308 85 2HM2 OMG 34 2H2A OMG 34 16.721 -6.026 -2.317 86 3HM2 OMG 34 3H2A OMG 34 16.959 -7.313 -3.474 87 1H5* OMG 34 1H5' OMG 34 12.774 -9.943 1.715 88 2H5* OMG 34 2H5' OMG 34 11.816 -8.842 0.699 89 H8 OMG 34 H8 OMG 34 12.314 -5.877 -1.202 90 HN1 OMG 34 H1 OMG 34 10.392 -7.220 -7.189 91 1HN2 OMG 34 1H2 OMG 34 11.688 -8.834 -8.067 92 2HN2 OMG 34 2H2 OMG 34 12.981 -9.581 -7.157 93 1H5* A 35 1H5' A 35 17.300 -6.408 -0.286 94 2H5* A 35 2H5' A 35 18.220 -5.709 1.029 95 H4* A 35 H4' A 35 17.049 -3.722 1.031 96 H3* A 35 H3' A 35 14.635 -5.085 0.480 97 H2* A 35 H2' A 35 14.972 -4.940 -2.022 98 2HO* A 35 2HO* A 35 13.791 -3.193 -2.715 99 H1* A 35 H1' A 35 16.079 -2.388 -1.434 100 H8 A 35 H8 A 35 18.836 -3.685 -3.138 101 1H6 A 35 1H6 A 35 16.499 -1.815 -8.536 102 2H6 A 35 2H6 A 35 17.904 -2.457 -7.715 103 H2 A 35 H2 A 35 13.223 -1.592 -5.474 104 1H5* A 36 1H5' A 36 14.768 -0.647 -0.360 105 2H5* A 36 2H5' A 36 13.931 0.154 0.978 106 H4* A 36 H4' A 36 13.909 1.437 -1.133 107 H3* A 36 H3' A 36 11.928 1.364 0.612 108 H2* A 36 H2' A 36 10.820 -0.516 -0.492 109 2HO* A 36 2HO* A 36 8.975 0.293 -1.553 110 H1* A 36 H1' A 36 11.367 1.157 -2.980 111 H8 A 36 H8 A 36 10.606 -2.562 -1.916 112 1H6 A 36 1H6 A 36 8.655 -3.160 -7.776 113 2H6 A 36 2H6 A 36 8.748 -3.937 -6.212 114 H2 A 36 H2 A 36 10.464 0.895 -7.332 115 H1* 1MG 37 H1' 1MG 37 5.596 2.716 -3.088 116 H2* 1MG 37 H2' 1MG 37 6.847 5.391 -3.463 117 H3* 1MG 37 H3' 1MG 37 8.621 4.641 -4.852 118 H4* 1MG 37 H4' 1MG 37 9.275 2.391 -3.526 119 *HO2 1MG 37 2HO* 1MG 37 4.797 4.686 -4.286 120 1H5* 1MG 37 1H5' 1MG 37 10.330 4.406 -2.933 121 2H5* 1MG 37 2H5' 1MG 37 8.844 5.160 -2.324 122 H8 1MG 37 H8 1MG 37 7.550 4.395 -0.277 123 1HN2 1MG 37 1H2 1MG 37 0.303 4.712 -2.208 124 2HN2 1MG 37 2H2 1MG 37 1.349 4.010 -3.418 125 1HM1 1MG 37 1H1A 1MG 37 0.712 5.789 1.022 126 2HM1 1MG 37 2H1A 1MG 37 0.099 4.600 -0.109 127 3HM1 1MG 37 3H1A 1MG 37 0.375 6.281 -0.640 128 1H5* A 38 1H5' A 38 7.438 1.131 -8.763 129 2H5* A 38 2H5' A 38 5.795 1.479 -9.252 130 H4* A 38 H4' A 38 6.545 -0.883 -8.289 131 H3* A 38 H3' A 38 3.940 0.531 -7.720 132 H2* A 38 H2' A 38 3.368 -1.149 -6.258 133 2HO* A 38 2HO* A 38 3.423 -2.819 -7.818 134 H1* A 38 H1' A 38 6.150 -2.145 -5.971 135 H8 A 38 H8 A 38 5.238 1.034 -4.385 136 1H6 A 38 1H6 A 38 3.455 -2.222 0.602 137 2H6 A 38 2H6 A 38 3.778 -0.622 -0.008 138 H2 A 38 H2 A 38 4.114 -5.123 -2.889 139 H1 A 38 H1 A 38 3.666 -4.101 -0.763 140 1H5* U 39 1H5' U 39 -0.003 -1.567 -8.961 141 2H5* U 39 2H5' U 39 0.928 -0.777 -7.669 142 H4* U 39 H4' U 39 0.457 -3.794 -7.728 143 H3* U 39 H3' U 39 -1.204 -1.526 -6.617 144 H2* U 39 H2' U 39 -1.618 -2.763 -4.656 145 2HO* U 39 2HO* U 39 -0.747 -5.038 -6.115 146 H1* U 39 H1' U 39 0.837 -4.131 -4.599 147 H3 U 39 H3 U 39 0.391 -1.855 -0.643 148 H5 U 39 H5 U 39 1.725 1.085 -3.341 149 H6 U 39 H6 U 39 1.408 -0.360 -5.111 150 1HN4 5MC 40 1H4 5MC 40 -2.483 -0.053 0.276 151 2HN4 5MC 40 2H4 5MC 40 -2.375 0.620 -1.331 152 1HM5 5MC 40 1H5A 5MC 40 -3.268 0.561 -3.406 153 2HM5 5MC 40 2H5A 5MC 40 -1.706 -0.279 -3.534 154 3HM5 5MC 40 3H5A 5MC 40 -3.022 -0.681 -4.647 155 H6 5MC 40 H6 5MC 40 -3.938 -2.754 -4.126 156 H1* 5MC 40 H1' 5MC 40 -4.201 -5.732 -1.995 157 H2* 5MC 40 H2' 5MC 40 -6.566 -4.308 -2.288 158 *HO2 5MC 40 2HO* 5MC 40 -6.011 -6.984 -3.079 159 H3* 5MC 40 H3' 5MC 40 -6.134 -3.715 -4.587 160 H4* 5MC 40 H4' 5MC 40 -5.153 -6.566 -4.950 161 1H5* 5MC 40 1H5' 5MC 40 -3.654 -5.636 -6.629 162 2H5* 5MC 40 2H5' 5MC 40 -5.328 -5.190 -7.020 163 1H5* U 41 1H5' U 41 -9.036 -6.094 -2.370 164 2H5* U 41 2H5' U 41 -10.665 -5.463 -2.671 165 H4* U 41 H4' U 41 -9.939 -5.362 -0.244 166 H3* U 41 H3' U 41 -10.599 -2.788 -1.707 167 H2* U 41 H2' U 41 -10.317 -1.641 0.389 168 2HO* U 41 2HO* U 41 -11.445 -3.270 1.605 169 H1* U 41 H1' U 41 -8.096 -3.171 1.173 170 H3 U 41 H3 U 41 -6.388 0.980 0.729 171 H5 U 41 H5 U 41 -6.384 -0.617 -3.158 172 H6 U 41 H6 U 41 -7.790 -2.381 -2.377 173 1H5* G 42 1H5' G 42 -13.346 -2.823 2.032 174 2H5* G 42 2H5' G 42 -14.915 -2.252 1.427 175 H4* G 42 H4' G 42 -13.995 -0.845 3.312 176 H3* G 42 H3' G 42 -14.402 0.409 0.574 177 H2* G 42 H2' G 42 -13.754 2.503 1.501 178 2HO* G 42 2HO* G 42 -15.087 2.230 3.392 179 H1* G 42 H1' G 42 -11.826 1.399 3.253 180 H8 G 42 H8 G 42 -11.536 0.131 -0.369 181 H1 G 42 H1 G 42 -8.380 5.579 0.893 182 1H2 G 42 1H2 G 42 -9.134 6.453 2.823 183 2H2 G 42 2H2 G 42 -10.371 5.667 3.777 184 1H5* G 43 1H5' G 43 -16.728 3.502 3.125 185 2H5* G 43 2H5' G 43 -18.160 3.690 2.092 186 H4* G 43 H4' G 43 -17.063 5.852 2.312 187 H3* G 43 H3' G 43 -16.540 4.611 -0.424 188 H2* G 43 H2' G 43 -15.740 6.673 -1.097 189 2HO* G 43 2HO* G 43 -16.030 8.531 0.220 190 H1* G 43 H1' G 43 -14.559 7.135 1.433 191 H8 G 43 H8 G 43 -14.150 3.792 -0.491 192 H1 G 43 H1 G 43 -9.539 8.120 -1.665 193 1H2 G 43 1H2 G 43 -10.089 10.080 -0.711 194 2H2 G 43 2H2 G 43 -11.541 10.275 0.244 195 H3T G 43 HO3' G 43 -18.782 4.876 0.171 Start of MODEL 6 1 1H5* C 27 1H5' C 27 -3.400 14.579 -1.379 2 2H5* C 27 2H5' C 27 -3.262 12.890 -1.950 3 H4* C 27 H4' C 27 -5.855 14.474 -1.700 4 H3* C 27 H3' C 27 -4.821 12.085 -0.091 5 H2* C 27 H2' C 27 -7.086 11.712 0.415 6 2HO* C 27 2HO* C 27 -7.512 13.937 0.949 7 H1* C 27 H1' C 27 -7.987 12.659 -2.118 8 1H4 C 27 1H4 C 27 -8.887 6.434 -2.847 9 2H4 C 27 2H4 C 27 -7.261 6.299 -3.474 10 H5 C 27 H5 C 27 -5.611 8.112 -3.314 11 H6 C 27 H6 C 27 -5.289 10.421 -2.682 12 H5T C 27 H5' C 27 -2.878 14.450 -3.590 13 1H5* C 28 1H5' C 28 -6.991 14.008 3.000 14 2H5* C 28 2H5' C 28 -6.095 13.785 4.519 15 H4* C 28 H4' C 28 -8.243 12.552 4.567 16 H3* C 28 H3' C 28 -5.786 10.760 4.304 17 H2* C 28 H2' C 28 -7.232 8.923 4.479 18 2HO* C 28 2HO* C 28 -8.247 9.691 6.397 19 H1* C 28 H1' C 28 -9.452 10.366 3.363 20 1H4 C 28 1H4 C 28 -7.834 5.329 -0.313 21 2H4 C 28 2H4 C 28 -6.212 5.921 -0.549 22 H5 C 28 H5 C 28 -5.485 8.160 0.300 23 H6 C 28 H6 C 28 -6.112 10.015 1.711 24 1H5* A 29 1H5' A 29 -4.847 7.878 7.612 25 2H5* A 29 2H5' A 29 -5.688 8.056 6.092 26 H4* A 29 H4' A 29 -7.232 7.127 8.534 27 H3* A 29 H3' A 29 -5.216 5.481 7.007 28 H2* A 29 H2' A 29 -6.745 3.593 7.090 29 2HO* A 29 2HO* A 29 -8.705 3.794 8.248 30 H1* A 29 H1' A 29 -8.907 5.008 6.262 31 H8 A 29 H8 A 29 -5.758 6.587 4.708 32 1H6 A 29 1H6 A 29 -6.430 2.493 0.166 33 2H6 A 29 2H6 A 29 -5.639 3.959 0.688 34 H2 A 29 H2 A 29 -9.070 1.208 3.579 35 1H5* G 30 1H5' G 30 -6.644 2.747 10.086 36 2H5* G 30 2H5' G 30 -5.267 2.026 10.946 37 H4* G 30 H4' G 30 -6.828 0.334 9.969 38 H3* G 30 H3' G 30 -3.962 0.405 9.003 39 H2* G 30 H2' G 30 -4.433 -1.442 7.580 40 2HO* G 30 2HO* G 30 -6.875 -1.696 9.003 41 H1* G 30 H1' G 30 -6.881 -0.664 6.756 42 H8 G 30 H8 G 30 -4.725 2.437 6.759 43 H1 G 30 H1 G 30 -4.171 -1.162 1.505 44 1H2 G 30 1H2 G 30 -5.032 -3.193 1.869 45 2H2 G 30 2H2 G 30 -5.779 -3.629 3.390 46 1H5* A 31 1H5' A 31 -1.500 -3.657 9.480 47 2H5* A 31 2H5' A 31 -1.958 -2.333 8.398 48 H4* A 31 H4' A 31 -3.258 -5.088 8.229 49 H3* A 31 H3' A 31 -0.622 -4.129 7.161 50 H2* A 31 H2' A 31 -1.026 -4.974 4.995 51 2HO* A 31 2HO* A 31 -2.837 -6.318 4.582 52 H1* A 31 H1' A 31 -3.663 -4.186 4.803 53 H8 A 31 H8 A 31 -2.818 -1.077 6.354 54 1H6 A 31 1H6 A 31 0.193 0.603 1.240 55 2H6 A 31 2H6 A 31 -0.466 1.142 2.768 56 H2 A 31 H2 A 31 -0.552 -3.814 1.008 57 1HN4 OMC 32 1H4 OMC 32 1.930 0.903 4.188 58 2HN4 OMC 32 2H4 OMC 32 1.347 0.342 5.740 59 H5 OMC 32 H5 OMC 32 1.126 -2.040 6.312 60 H6 OMC 32 H6 OMC 32 1.445 -4.308 5.458 61 H1* OMC 32 H1' OMC 32 1.927 -4.985 1.939 62 H2* OMC 32 H2' OMC 32 4.209 -5.130 3.632 63 1HM2 OMC 32 1H2A OMC 32 3.358 -8.186 1.788 64 2HM2 OMC 32 2H2A OMC 32 3.816 -7.354 0.304 65 3HM2 OMC 32 3H2A OMC 32 2.295 -6.933 1.084 66 H3* OMC 32 H3' OMC 32 3.351 -6.354 5.267 67 H4* OMC 32 H4' OMC 32 1.600 -7.743 3.304 68 1H5* OMC 32 1H5' OMC 32 -0.108 -7.631 5.126 69 2H5* OMC 32 2H5' OMC 32 1.369 -8.443 5.697 70 1H5* U 33 1H5' U 33 7.742 -6.953 3.490 71 2H5* U 33 2H5' U 33 6.155 -6.605 2.885 72 H4* U 33 H4' U 33 7.052 -8.754 1.233 73 H3* U 33 H3' U 33 9.417 -7.210 2.130 74 H2* U 33 H2' U 33 9.924 -6.032 0.281 75 2HO* U 33 2HO* U 33 10.302 -7.997 -0.897 76 H1* U 33 H1' U 33 7.495 -6.253 -1.238 77 H3 U 33 H3 U 33 9.501 -1.988 -0.786 78 H5 U 33 H5 U 33 6.370 -2.350 2.042 79 H6 U 33 H6 U 33 6.326 -4.678 1.555 80 H1* OMG 34 H1' OMG 34 13.339 -9.777 -3.294 81 H2* OMG 34 H2' OMG 34 14.914 -7.723 -2.397 82 H3* OMG 34 H3' OMG 34 14.584 -7.819 -0.048 83 H4* OMG 34 H4' OMG 34 13.892 -10.676 0.235 84 1HM2 OMG 34 1H2A OMG 34 16.638 -8.363 -3.792 85 2HM2 OMG 34 2H2A OMG 34 17.224 -8.572 -2.137 86 3HM2 OMG 34 3H2A OMG 34 17.495 -9.848 -3.310 87 1H5* OMG 34 1H5' OMG 34 13.001 -8.779 1.707 88 2H5* OMG 34 2H5' OMG 34 12.013 -8.259 0.320 89 H8 OMG 34 H8 OMG 34 13.006 -6.299 -1.454 90 HN1 OMG 34 H1 OMG 34 9.654 -7.091 -6.851 91 1HN2 OMG 34 1H2 OMG 34 9.711 -9.242 -7.503 92 2HN2 OMG 34 2H2 OMG 34 10.545 -10.468 -6.577 93 1H5* A 35 1H5' A 35 19.094 -7.892 -1.027 94 2H5* A 35 2H5' A 35 19.264 -6.734 0.304 95 H4* A 35 H4' A 35 19.506 -5.457 -1.676 96 H3* A 35 H3' A 35 17.347 -4.888 0.055 97 H2* A 35 H2' A 35 15.887 -6.024 -1.487 98 2HO* A 35 2HO* A 35 15.092 -3.918 -0.935 99 H1* A 35 H1' A 35 17.465 -4.475 -3.432 100 H8 A 35 H8 A 35 18.008 -6.343 -5.711 101 1H6 A 35 1H6 A 35 12.998 -4.735 -8.807 102 2H6 A 35 2H6 A 35 14.477 -5.669 -8.863 103 H2 A 35 H2 A 35 12.500 -3.344 -4.611 104 1H5* A 36 1H5' A 36 16.447 -1.694 -3.121 105 2H5* A 36 2H5' A 36 17.494 -0.376 -2.571 106 H4* A 36 H4' A 36 15.633 0.924 -1.771 107 H3* A 36 H3' A 36 14.118 -1.170 -1.327 108 H2* A 36 H2' A 36 14.253 -1.897 -3.681 109 2HO* A 36 2HO* A 36 12.059 -1.924 -2.825 110 H1* A 36 H1' A 36 13.283 0.814 -4.382 111 H8 A 36 H8 A 36 16.389 0.149 -6.114 112 1H6 A 36 1H6 A 36 13.236 -2.414 -10.783 113 2H6 A 36 2H6 A 36 14.799 -1.844 -10.244 114 H2 A 36 H2 A 36 10.404 -1.812 -7.355 115 H1* 1MG 37 H1' 1MG 37 6.484 2.935 -2.258 116 H2* 1MG 37 H2' 1MG 37 8.519 4.235 -4.004 117 H3* 1MG 37 H3' 1MG 37 9.750 2.346 -4.311 118 H4* 1MG 37 H4' 1MG 37 7.597 0.584 -3.166 119 *HO2 1MG 37 2HO* 1MG 37 6.847 3.312 -5.493 120 1H5* 1MG 37 1H5' 1MG 37 9.318 -0.366 -1.868 121 2H5* 1MG 37 2H5' 1MG 37 9.954 -0.340 -3.525 122 H8 1MG 37 H8 1MG 37 9.867 3.866 -0.792 123 1HN2 1MG 37 1H2 1MG 37 3.677 8.014 -1.691 124 2HN2 1MG 37 2H2 1MG 37 3.710 6.551 -2.641 125 1HM1 1MG 37 1H1A 1MG 37 5.133 9.561 -0.849 126 2HM1 1MG 37 2H1A 1MG 37 5.598 9.295 0.837 127 3HM1 1MG 37 3H1A 1MG 37 4.135 8.557 0.235 128 1H5* A 38 1H5' A 38 6.166 2.176 -8.890 129 2H5* A 38 2H5' A 38 5.299 3.205 -7.741 130 H4* A 38 H4' A 38 6.059 0.271 -7.442 131 H3* A 38 H3' A 38 3.430 1.717 -7.032 132 H2* A 38 H2' A 38 2.888 -0.073 -5.632 133 2HO* A 38 2HO* A 38 3.432 -1.671 -7.299 134 H1* A 38 H1' A 38 5.768 -0.619 -5.184 135 H8 A 38 H8 A 38 4.314 2.442 -3.757 136 1H6 A 38 1H6 A 38 2.914 -0.994 1.258 137 2H6 A 38 2H6 A 38 2.982 0.634 0.633 138 H2 A 38 H2 A 38 4.264 -3.783 -2.109 139 H1 A 38 H1 A 38 3.532 -2.815 -0.048 140 1H5* U 39 1H5' U 39 2.082 -2.626 -8.205 141 2H5* U 39 2H5' U 39 0.422 -2.345 -8.736 142 H4* U 39 H4' U 39 0.759 -3.864 -6.683 143 H3* U 39 H3' U 39 -1.030 -1.423 -6.477 144 H2* U 39 H2' U 39 -1.663 -2.248 -4.350 145 2HO* U 39 2HO* U 39 -1.266 -4.389 -3.736 146 H1* U 39 H1' U 39 0.900 -3.484 -3.894 147 H3 U 39 H3 U 39 0.042 -0.929 -0.182 148 H5 U 39 H5 U 39 0.885 1.940 -3.135 149 H6 U 39 H6 U 39 0.908 0.288 -4.760 150 1HN4 5MC 40 1H4 5MC 40 -2.699 -0.006 0.594 151 2HN4 5MC 40 2H4 5MC 40 -2.551 0.600 -1.038 152 1HM5 5MC 40 1H5A 5MC 40 -3.864 0.509 -2.990 153 2HM5 5MC 40 2H5A 5MC 40 -3.522 -0.654 -4.282 154 3HM5 5MC 40 3H5A 5MC 40 -2.203 -0.061 -3.255 155 H6 5MC 40 H6 5MC 40 -4.073 -2.867 -3.745 156 H1* 5MC 40 H1' 5MC 40 -3.882 -5.838 -1.553 157 H2* 5MC 40 H2' 5MC 40 -6.432 -4.809 -2.001 158 *HO2 5MC 40 2HO* 5MC 40 -6.922 -7.015 -2.448 159 H3* 5MC 40 H3' 5MC 40 -6.018 -4.234 -4.312 160 H4* 5MC 40 H4' 5MC 40 -4.493 -6.856 -4.501 161 1H5* 5MC 40 1H5' 5MC 40 -3.092 -5.754 -6.135 162 2H5* 5MC 40 2H5' 5MC 40 -4.789 -5.582 -6.629 163 1H5* U 41 1H5' U 41 -10.675 -4.695 -2.937 164 2H5* U 41 2H5' U 41 -9.213 -3.723 -2.873 165 H4* U 41 H4' U 41 -10.018 -5.740 -0.722 166 H3* U 41 H3' U 41 -10.718 -2.836 -1.114 167 H2* U 41 H2' U 41 -10.310 -2.324 1.175 168 2HO* U 41 2HO* U 41 -11.226 -4.275 1.992 169 H1* U 41 H1' U 41 -7.911 -3.619 1.351 170 H3 U 41 H3 U 41 -7.105 0.829 0.932 171 H5 U 41 H5 U 41 -6.352 -0.955 -2.807 172 H6 U 41 H6 U 41 -7.458 -2.897 -2.037 173 1H5* G 42 1H5' G 42 -13.541 -3.188 2.142 174 2H5* G 42 2H5' G 42 -15.148 -2.891 1.437 175 H4* G 42 H4' G 42 -14.632 -1.227 3.205 176 H3* G 42 H3' G 42 -14.775 -0.226 0.338 177 H2* G 42 H2' G 42 -14.373 1.970 1.094 178 2HO* G 42 2HO* G 42 -14.570 2.514 3.292 179 H1* G 42 H1' G 42 -12.621 1.236 3.176 180 H8 G 42 H8 G 42 -11.447 -0.589 0.091 181 H1 G 42 H1 G 42 -9.571 5.548 0.409 182 1H2 G 42 1H2 G 42 -10.960 6.673 1.780 183 2H2 G 42 2H2 G 42 -12.221 5.875 2.692 184 1H5* G 43 1H5' G 43 -17.473 2.746 2.401 185 2H5* G 43 2H5' G 43 -18.856 2.843 1.290 186 H4* G 43 H4' G 43 -17.878 5.059 1.504 187 H3* G 43 H3' G 43 -17.105 3.777 -1.154 188 H2* G 43 H2' G 43 -16.352 5.854 -1.823 189 2HO* G 43 2HO* G 43 -18.179 7.036 -0.982 190 H1* G 43 H1' G 43 -15.365 6.432 0.762 191 H8 G 43 H8 G 43 -14.703 3.051 -1.016 192 H1 G 43 H1 G 43 -10.278 7.575 -2.162 193 1H2 G 43 1H2 G 43 -10.920 9.507 -1.224 194 2H2 G 43 2H2 G 43 -12.402 9.653 -0.307 195 H3T G 43 HO3' G 43 -19.393 3.954 -0.743 Start of MODEL 7 1 1H5* C 27 1H5' C 27 -1.135 13.741 -0.212 2 2H5* C 27 2H5' C 27 -1.206 12.057 -0.794 3 H4* C 27 H4' C 27 -3.499 14.065 -0.996 4 H3* C 27 H3' C 27 -3.018 11.713 0.892 5 H2* C 27 H2' C 27 -5.313 11.348 0.902 6 2HO* C 27 2HO* C 27 -5.748 13.566 1.484 7 H1* C 27 H1' C 27 -5.768 12.547 -1.688 8 1H4 C 27 1H4 C 27 -7.471 6.722 -3.229 9 2H4 C 27 2H4 C 27 -5.819 6.407 -3.703 10 H5 C 27 H5 C 27 -3.965 7.859 -3.103 11 H6 C 27 H6 C 27 -3.385 10.044 -2.222 12 H5T C 27 H5' C 27 -0.278 13.473 -2.324 13 1H5* C 28 1H5' C 28 -2.999 11.373 5.015 14 2H5* C 28 2H5' C 28 -3.338 10.827 3.357 15 H4* C 28 H4' C 28 -5.477 11.529 5.419 16 H3* C 28 H3' C 28 -4.383 8.858 4.465 17 H2* C 28 H2' C 28 -6.628 7.991 4.888 18 2HO* C 28 2HO* C 28 -8.189 9.382 5.808 19 H1* C 28 H1' C 28 -7.846 10.132 3.637 20 1H4 C 28 1H4 C 28 -6.827 5.369 -0.636 21 2H4 C 28 2H4 C 28 -5.150 5.824 -0.763 22 H5 C 28 H5 C 28 -4.164 7.673 0.486 23 H6 C 28 H6 C 28 -4.584 9.421 2.059 24 1H5* A 29 1H5' A 29 -6.386 7.954 8.048 25 2H5* A 29 2H5' A 29 -5.312 7.335 9.330 26 H4* A 29 H4' A 29 -7.325 6.040 9.310 27 H3* A 29 H3' A 29 -4.963 4.473 8.147 28 H2* A 29 H2' A 29 -6.408 2.664 7.718 29 2HO* A 29 2HO* A 29 -8.302 4.009 9.359 30 H1* A 29 H1' A 29 -8.584 4.100 6.834 31 H8 A 29 H8 A 29 -5.726 6.068 5.433 32 1H6 A 29 1H6 A 29 -6.141 2.312 0.546 33 2H6 A 29 2H6 A 29 -5.448 3.791 1.166 34 H2 A 29 H2 A 29 -8.410 0.443 3.943 35 1H5* G 30 1H5' G 30 -3.485 0.780 10.437 36 2H5* G 30 2H5' G 30 -3.823 1.542 8.881 37 H4* G 30 H4' G 30 -5.495 -0.689 10.142 38 H3* G 30 H3' G 30 -3.215 -0.677 8.143 39 H2* G 30 H2' G 30 -4.346 -2.477 7.002 40 2HO* G 30 2HO* G 30 -5.119 -3.380 9.133 41 H1* G 30 H1' G 30 -6.634 -1.388 6.829 42 H8 G 30 H8 G 30 -4.430 1.590 6.833 43 H1 G 30 H1 G 30 -4.259 -1.619 1.282 44 1H2 G 30 1H2 G 30 -5.163 -3.622 1.529 45 2H2 G 30 2H2 G 30 -5.848 -4.161 3.046 46 1H5* A 31 1H5' A 31 -3.862 -4.808 8.602 47 2H5* A 31 2H5' A 31 -2.343 -5.674 8.922 48 H4* A 31 H4' A 31 -3.590 -6.529 6.927 49 H3* A 31 H3' A 31 -0.854 -5.297 6.511 50 H2* A 31 H2' A 31 -1.026 -5.820 4.183 51 2HO* A 31 2HO* A 31 -3.333 -7.327 4.889 52 H1* A 31 H1' A 31 -3.682 -5.062 3.928 53 H8 A 31 H8 A 31 -2.664 -2.209 5.986 54 1H6 A 31 1H6 A 31 0.355 0.013 1.049 55 2H6 A 31 2H6 A 31 -0.242 0.386 2.650 56 H2 A 31 H2 A 31 -0.701 -4.268 0.237 57 1HN4 OMC 32 1H4 OMC 32 2.374 0.009 3.716 58 2HN4 OMC 32 2H4 OMC 32 1.760 -0.632 5.224 59 H5 OMC 32 H5 OMC 32 1.291 -3.023 5.572 60 H6 OMC 32 H6 OMC 32 1.426 -5.229 4.546 61 H1* OMC 32 H1' OMC 32 1.949 -5.641 0.988 62 H2* OMC 32 H2' OMC 32 4.177 -6.114 2.658 63 1HM2 OMC 32 1H2A OMC 32 2.075 -7.486 0.010 64 2HM2 OMC 32 2H2A OMC 32 3.044 -8.908 0.471 65 3HM2 OMC 32 3H2A OMC 32 3.521 -7.894 -0.893 66 H3* OMC 32 H3' OMC 32 3.204 -7.409 4.191 67 H4* OMC 32 H4' OMC 32 1.384 -8.472 2.089 68 1H5* OMC 32 1H5' OMC 32 -0.304 -8.511 3.900 69 2H5* OMC 32 2H5' OMC 32 1.149 -9.401 4.396 70 1H5* U 33 1H5' U 33 7.531 -8.054 2.669 71 2H5* U 33 2H5' U 33 6.010 -7.560 2.007 72 H4* U 33 H4' U 33 6.972 -9.548 0.190 73 H3* U 33 H3' U 33 9.304 -8.214 1.366 74 H2* U 33 H2' U 33 9.525 -6.465 0.002 75 2HO* U 33 2HO* U 33 10.694 -8.013 -1.286 76 H1* U 33 H1' U 33 7.473 -7.227 -2.051 77 H3 U 33 H3 U 33 8.501 -2.668 -2.394 78 H5 U 33 H5 U 33 6.250 -3.084 1.153 79 H6 U 33 H6 U 33 6.400 -5.458 0.914 80 H1* OMG 34 H1' OMG 34 14.507 -8.808 -2.919 81 H2* OMG 34 H2' OMG 34 14.751 -6.598 -0.909 82 H3* OMG 34 H3' OMG 34 14.351 -7.792 0.929 83 H4* OMG 34 H4' OMG 34 14.275 -10.345 -0.566 84 1HM2 OMG 34 1H2A OMG 34 15.933 -6.268 -3.000 85 2HM2 OMG 34 2H2A OMG 34 17.158 -6.035 -1.697 86 3HM2 OMG 34 3H2A OMG 34 17.525 -7.052 -3.087 87 1H5* OMG 34 1H5' OMG 34 12.840 -9.806 1.610 88 2H5* OMG 34 2H5' OMG 34 11.989 -8.588 0.625 89 H8 OMG 34 H8 OMG 34 12.656 -5.666 -1.375 90 HN1 OMG 34 H1 OMG 34 11.868 -6.549 -7.701 91 1HN2 OMG 34 1H2 OMG 34 12.949 -8.409 -8.355 92 2HN2 OMG 34 2H2 OMG 34 13.878 -9.381 -7.237 93 1H5* A 35 1H5' A 35 17.679 -5.533 2.391 94 2H5* A 35 2H5' A 35 15.940 -5.851 2.370 95 H4* A 35 H4' A 35 16.753 -3.494 1.838 96 H3* A 35 H3' A 35 14.503 -4.903 0.805 97 H2* A 35 H2' A 35 15.465 -4.856 -1.504 98 2HO* A 35 2HO* A 35 13.531 -3.619 -1.531 99 H1* A 35 H1' A 35 16.553 -2.347 -0.743 100 H8 A 35 H8 A 35 19.543 -3.809 -1.674 101 1H6 A 35 1H6 A 35 18.723 -2.057 -7.536 102 2H6 A 35 2H6 A 35 19.850 -2.704 -6.365 103 H2 A 35 H2 A 35 14.781 -1.649 -5.419 104 1H5* A 36 1H5' A 36 14.915 -0.679 -0.445 105 2H5* A 36 2H5' A 36 13.949 0.317 0.652 106 H4* A 36 H4' A 36 14.365 1.309 -1.603 107 H3* A 36 H3' A 36 12.196 1.624 -0.120 108 H2* A 36 H2' A 36 11.024 -0.247 -1.195 109 2HO* A 36 2HO* A 36 9.468 0.623 -2.625 110 H1* A 36 H1' A 36 12.113 1.053 -3.737 111 H8 A 36 H8 A 36 11.350 -2.573 -2.438 112 1H6 A 36 1H6 A 36 7.884 -3.099 -7.540 113 2H6 A 36 2H6 A 36 8.531 -3.936 -6.146 114 H2 A 36 H2 A 36 9.517 1.075 -7.401 115 H1* 1MG 37 H1' 1MG 37 5.908 3.017 -2.439 116 H2* 1MG 37 H2' 1MG 37 6.856 5.785 -1.844 117 H3* 1MG 37 H3' 1MG 37 7.830 6.040 -4.028 118 H4* 1MG 37 H4' 1MG 37 9.112 3.673 -4.058 119 *HO2 1MG 37 2HO* 1MG 37 5.094 5.936 -3.564 120 1H5* 1MG 37 1H5' 1MG 37 10.185 5.513 -3.050 121 2H5* 1MG 37 2H5' 1MG 37 9.083 5.572 -1.660 122 H8 1MG 37 H8 1MG 37 8.614 3.493 0.154 123 1HN2 1MG 37 1H2 1MG 37 1.133 3.561 0.852 124 2HN2 1MG 37 2H2 1MG 37 1.718 3.667 -0.790 125 1HM1 1MG 37 1H1A 1MG 37 1.781 4.187 2.923 126 2HM1 1MG 37 2H1A 1MG 37 2.599 2.963 3.900 127 3HM1 1MG 37 3H1A 1MG 37 1.603 2.452 2.552 128 1H5* A 38 1H5' A 38 6.270 3.218 -7.853 129 2H5* A 38 2H5' A 38 4.592 3.476 -8.334 130 H4* A 38 H4' A 38 5.392 1.112 -8.251 131 H3* A 38 H3' A 38 3.145 1.852 -6.365 132 H2* A 38 H2' A 38 3.035 -0.435 -5.829 133 2HO* A 38 2HO* A 38 4.067 -2.027 -7.134 134 H1* A 38 H1' A 38 5.810 -0.942 -6.011 135 H8 A 38 H8 A 38 4.820 2.050 -4.144 136 1H6 A 38 1H6 A 38 3.213 -1.682 0.613 137 2H6 A 38 2H6 A 38 3.455 -0.012 0.166 138 H2 A 38 H2 A 38 4.117 -4.239 -3.049 139 H1 A 38 H1 A 38 3.600 -3.403 -0.867 140 1H5* U 39 1H5' U 39 1.650 -1.562 -8.648 141 2H5* U 39 2H5' U 39 -0.049 -1.277 -9.072 142 H4* U 39 H4' U 39 0.337 -3.319 -7.589 143 H3* U 39 H3' U 39 -1.390 -1.009 -6.652 144 H2* U 39 H2' U 39 -1.817 -2.149 -4.659 145 2HO* U 39 2HO* U 39 -2.422 -4.112 -5.622 146 H1* U 39 H1' U 39 0.673 -3.541 -4.574 147 H3 U 39 H3 U 39 0.088 -1.379 -0.566 148 H5 U 39 H5 U 39 1.339 1.685 -3.149 149 H6 U 39 H6 U 39 1.140 0.275 -4.961 150 1HN4 5MC 40 1H4 5MC 40 -2.541 -0.459 0.560 151 2HN4 5MC 40 2H4 5MC 40 -2.420 0.381 -0.964 152 1HM5 5MC 40 1H5A 5MC 40 -2.117 -0.029 -3.280 153 2HM5 5MC 40 2H5A 5MC 40 -3.500 -0.360 -4.339 154 3HM5 5MC 40 3H5A 5MC 40 -3.714 0.649 -2.898 155 H6 5MC 40 H6 5MC 40 -4.240 -2.566 -4.081 156 H1* 5MC 40 H1' 5MC 40 -4.344 -5.809 -2.312 157 H2* 5MC 40 H2' 5MC 40 -6.716 -4.336 -2.472 158 *HO2 5MC 40 2HO* 5MC 40 -6.156 -6.959 -3.433 159 H3* 5MC 40 H3' 5MC 40 -6.347 -3.602 -4.719 160 H4* 5MC 40 H4' 5MC 40 -5.259 -6.378 -5.293 161 1H5* 5MC 40 1H5' 5MC 40 -3.813 -5.281 -6.900 162 2H5* 5MC 40 2H5' 5MC 40 -5.489 -4.788 -7.230 163 1H5* U 41 1H5' U 41 -9.146 -6.271 -2.709 164 2H5* U 41 2H5' U 41 -10.806 -5.687 -2.909 165 H4* U 41 H4' U 41 -9.852 -5.781 -0.489 166 H3* U 41 H3' U 41 -11.215 -3.399 -1.735 167 H2* U 41 H2' U 41 -10.595 -1.982 -0.012 168 2HO* U 41 2HO* U 41 -11.666 -3.305 1.547 169 H1* U 41 H1' U 41 -8.348 -3.578 0.986 170 H3 U 41 H3 U 41 -6.690 0.610 1.081 171 H5 U 41 H5 U 41 -6.707 -0.437 -2.997 172 H6 U 41 H6 U 41 -8.048 -2.342 -2.441 173 1H5* G 42 1H5' G 42 -15.299 -1.953 -0.534 174 2H5* G 42 2H5' G 42 -13.678 -1.519 -1.126 175 H4* G 42 H4' G 42 -14.655 -0.850 1.694 176 H3* G 42 H3' G 42 -15.028 0.542 -0.935 177 H2* G 42 H2' G 42 -13.970 2.482 -0.329 178 2HO* G 42 2HO* G 42 -15.498 2.919 1.324 179 H1* G 42 H1' G 42 -12.565 1.475 2.002 180 H8 G 42 H8 G 42 -11.333 -0.018 -1.258 181 H1 G 42 H1 G 42 -8.374 5.392 0.545 182 1H2 G 42 1H2 G 42 -9.701 6.533 1.960 183 2H2 G 42 2H2 G 42 -11.232 5.898 2.518 184 1H5* G 43 1H5' G 43 -17.803 3.780 -1.645 185 2H5* G 43 2H5' G 43 -16.091 3.309 -1.601 186 H4* G 43 H4' G 43 -17.305 5.702 -0.111 187 H3* G 43 H3' G 43 -15.721 5.398 -2.680 188 H2* G 43 H2' G 43 -14.726 7.416 -2.376 189 2HO* G 43 2HO* G 43 -16.683 8.529 -1.666 190 H1* G 43 H1' G 43 -14.364 7.085 0.350 191 H8 G 43 H8 G 43 -13.860 4.149 -2.053 192 H1 G 43 H1 G 43 -8.688 7.913 -1.574 193 1H2 G 43 1H2 G 43 -9.178 9.730 -0.360 194 2H2 G 43 2H2 G 43 -10.751 9.971 0.366 195 H3T G 43 HO3' G 43 -18.025 5.738 -2.826 Start of MODEL 8 1 1H5* C 27 1H5' C 27 -1.718 14.097 -1.877 2 2H5* C 27 2H5' C 27 -1.791 12.341 -2.223 3 H4* C 27 H4' C 27 -4.160 14.269 -2.104 4 H3* C 27 H3' C 27 -3.424 11.867 -0.354 5 H2* C 27 H2' C 27 -5.728 11.822 0.200 6 2HO* C 27 2HO* C 27 -7.069 13.627 -0.422 7 H1* C 27 H1' C 27 -6.537 12.693 -2.376 8 1H4 C 27 1H4 C 27 -8.139 6.634 -3.022 9 2H4 C 27 2H4 C 27 -6.498 6.253 -3.485 10 H5 C 27 H5 C 27 -4.658 7.847 -3.283 11 H6 C 27 H6 C 27 -4.098 10.124 -2.775 12 H5T C 27 H5' C 27 -2.673 12.925 -4.270 13 1H5* C 28 1H5' C 28 -5.239 14.092 2.889 14 2H5* C 28 2H5' C 28 -4.201 13.733 4.290 15 H4* C 28 H4' C 28 -6.468 12.746 4.550 16 H3* C 28 H3' C 28 -4.220 10.736 4.097 17 H2* C 28 H2' C 28 -5.796 9.029 4.439 18 2HO* C 28 2HO* C 28 -6.557 9.949 6.428 19 H1* C 28 H1' C 28 -7.981 10.662 3.512 20 1H4 C 28 1H4 C 28 -7.145 5.427 -0.122 21 2H4 C 28 2H4 C 28 -5.470 5.793 -0.417 22 H5 C 28 H5 C 28 -4.492 8.021 0.231 23 H6 C 28 H6 C 28 -4.869 10.012 1.552 24 1H5* A 29 1H5' A 29 -3.002 7.963 7.626 25 2H5* A 29 2H5' A 29 -3.966 8.108 6.187 26 H4* A 29 H4' A 29 -5.466 7.634 8.733 27 H3* A 29 H3' A 29 -3.546 5.507 7.738 28 H2* A 29 H2' A 29 -5.241 3.860 7.693 29 2HO* A 29 2HO* A 29 -6.755 5.692 9.255 30 H1* A 29 H1' A 29 -7.313 5.367 6.734 31 H8 A 29 H8 A 29 -4.307 6.695 4.841 32 1H6 A 29 1H6 A 29 -5.850 2.449 0.632 33 2H6 A 29 2H6 A 29 -4.853 3.837 0.973 34 H2 A 29 H2 A 29 -7.852 1.357 4.515 35 1H5* G 30 1H5' G 30 -2.426 2.060 10.710 36 2H5* G 30 2H5' G 30 -2.658 2.534 9.026 37 H4* G 30 H4' G 30 -4.549 0.739 10.634 38 H3* G 30 H3' G 30 -2.213 0.167 8.800 39 H2* G 30 H2' G 30 -3.454 -1.572 7.745 40 2HO* G 30 2HO* G 30 -4.407 -2.181 9.934 41 H1* G 30 H1' G 30 -5.702 -0.379 7.431 42 H8 G 30 H8 G 30 -3.289 2.406 6.976 43 H1 G 30 H1 G 30 -3.946 -1.434 1.861 44 1H2 G 30 1H2 G 30 -4.983 -3.309 2.457 45 2H2 G 30 2H2 G 30 -5.518 -3.598 4.097 46 1H5* A 31 1H5' A 31 -3.390 -3.785 9.360 47 2H5* A 31 2H5' A 31 -2.070 -4.827 9.948 48 H4* A 31 H4' A 31 -3.203 -5.618 7.845 49 H3* A 31 H3' A 31 -0.276 -4.946 7.732 50 H2* A 31 H2' A 31 -0.185 -5.109 5.440 51 2HO* A 31 2HO* A 31 -2.375 -6.881 5.726 52 H1* A 31 H1' A 31 -2.959 -4.585 4.936 53 H8 A 31 H8 A 31 -1.792 -1.523 6.598 54 1H6 A 31 1H6 A 31 0.716 0.152 1.167 55 2H6 A 31 2H6 A 31 0.319 0.685 2.785 56 H2 A 31 H2 A 31 -0.442 -4.169 0.906 57 1HN4 OMC 32 1H4 OMC 32 3.432 0.452 3.399 58 2HN4 OMC 32 2H4 OMC 32 2.945 0.182 5.051 59 H5 OMC 32 H5 OMC 32 2.207 -2.022 5.896 60 H6 OMC 32 H6 OMC 32 2.305 -4.409 5.453 61 H1* OMC 32 H1' OMC 32 2.464 -5.699 2.124 62 H2* OMC 32 H2' OMC 32 5.000 -5.698 3.500 63 1HM2 OMC 32 1H2A OMC 32 4.064 -8.436 0.668 64 2HM2 OMC 32 2H2A OMC 32 3.319 -6.850 0.525 65 3HM2 OMC 32 3H2A OMC 32 2.798 -7.976 1.808 66 H3* OMC 32 H3' OMC 32 4.508 -6.816 5.332 67 H4* OMC 32 H4' OMC 32 2.311 -8.209 3.975 68 1H5* OMC 32 1H5' OMC 32 2.787 -8.263 6.515 69 2H5* OMC 32 2H5' OMC 32 2.393 -6.535 6.557 70 1H5* U 33 1H5' U 33 8.514 -8.558 3.291 71 2H5* U 33 2H5' U 33 7.316 -7.350 2.843 72 H4* U 33 H4' U 33 7.470 -9.765 1.091 73 H3* U 33 H3' U 33 9.926 -8.148 1.601 74 H2* U 33 H2' U 33 9.802 -6.633 -0.022 75 2HO* U 33 2HO* U 33 9.648 -7.337 -2.221 76 H1* U 33 H1' U 33 7.423 -7.605 -1.477 77 H3 U 33 H3 U 33 8.113 -3.077 -2.314 78 H5 U 33 H5 U 33 6.857 -3.273 1.709 79 H6 U 33 H6 U 33 6.876 -5.659 1.556 80 H1* OMG 34 H1' OMG 34 14.106 -9.085 -3.687 81 H2* OMG 34 H2' OMG 34 14.706 -6.634 -2.060 82 H3* OMG 34 H3' OMG 34 14.927 -7.609 -0.048 83 H4* OMG 34 H4' OMG 34 14.666 -10.335 -1.154 84 1HM2 OMG 34 1H2A OMG 34 16.805 -7.164 -4.818 85 2HM2 OMG 34 2H2A OMG 34 15.240 -6.460 -4.336 86 3HM2 OMG 34 3H2A OMG 34 16.750 -6.052 -3.448 87 1H5* OMG 34 1H5' OMG 34 13.786 -9.624 1.243 88 2H5* OMG 34 2H5' OMG 34 12.655 -8.530 0.405 89 H8 OMG 34 H8 OMG 34 12.587 -5.842 -1.989 90 HN1 OMG 34 H1 OMG 34 9.535 -7.925 -7.267 91 1HN2 OMG 34 1H2 OMG 34 10.734 -9.538 -8.262 92 2HN2 OMG 34 2H2 OMG 34 12.213 -10.160 -7.569 93 1H5* A 35 1H5' A 35 18.408 -5.099 0.194 94 2H5* A 35 2H5' A 35 16.736 -5.427 0.660 95 H4* A 35 H4' A 35 17.386 -3.145 -0.336 96 H3* A 35 H3' A 35 14.882 -4.563 -0.441 97 H2* A 35 H2' A 35 15.135 -4.843 -2.894 98 2HO* A 35 2HO* A 35 13.271 -3.458 -2.283 99 H1* A 35 H1' A 35 16.281 -2.273 -2.794 100 H8 A 35 H8 A 35 18.914 -3.777 -4.490 101 1H6 A 35 1H6 A 35 16.301 -2.385 -9.898 102 2H6 A 35 2H6 A 35 17.735 -2.993 -9.104 103 H2 A 35 H2 A 35 13.186 -1.880 -6.705 104 1H5* A 36 1H5' A 36 14.882 -0.023 -1.729 105 2H5* A 36 2H5' A 36 13.967 0.860 -0.498 106 H4* A 36 H4' A 36 13.811 1.760 -2.819 107 H3* A 36 H3' A 36 11.922 1.884 -0.971 108 H2* A 36 H2' A 36 10.841 -0.172 -1.714 109 2HO* A 36 2HO* A 36 9.483 1.856 -3.152 110 H1* A 36 H1' A 36 11.281 1.056 -4.476 111 H8 A 36 H8 A 36 10.797 -2.458 -2.748 112 1H6 A 36 1H6 A 36 8.505 -4.145 -8.258 113 2H6 A 36 2H6 A 36 8.850 -4.665 -6.625 114 H2 A 36 H2 A 36 9.757 0.134 -8.544 115 H1* 1MG 37 H1' 1MG 37 5.242 2.672 -4.088 116 H2* 1MG 37 H2' 1MG 37 6.304 5.436 -4.468 117 H3* 1MG 37 H3' 1MG 37 7.721 4.798 -6.311 118 H4* 1MG 37 H4' 1MG 37 8.763 2.592 -5.160 119 *HO2 1MG 37 2HO* 1MG 37 5.004 4.810 -6.502 120 1H5* 1MG 37 1H5' 1MG 37 9.836 4.618 -4.736 121 2H5* 1MG 37 2H5' 1MG 37 8.479 5.312 -3.821 122 H8 1MG 37 H8 1MG 37 7.500 3.915 -1.353 123 1HN2 1MG 37 1H2 1MG 37 0.112 4.830 -2.311 124 2HN2 1MG 37 2H2 1MG 37 0.984 4.337 -3.744 125 1HM1 1MG 37 1H1A 1MG 37 0.479 6.052 -0.385 126 2HM1 1MG 37 2H1A 1MG 37 0.936 5.080 1.021 127 3HM1 1MG 37 3H1A 1MG 37 0.121 4.303 -0.317 128 1H5* A 38 1H5' A 38 6.731 0.606 -8.862 129 2H5* A 38 2H5' A 38 5.262 0.693 -9.831 130 H4* A 38 H4' A 38 5.780 -1.459 -8.636 131 H3* A 38 H3' A 38 3.170 -0.090 -7.981 132 H2* A 38 H2' A 38 2.802 -1.629 -6.314 133 2HO* A 38 2HO* A 38 3.545 -3.816 -6.482 134 H1* A 38 H1' A 38 5.602 -2.604 -6.209 135 H8 A 38 H8 A 38 4.873 0.715 -4.866 136 1H6 A 38 1H6 A 38 4.006 -1.964 0.690 137 2H6 A 38 2H6 A 38 4.259 -0.443 -0.127 138 H2 A 38 H2 A 38 3.726 -5.179 -2.573 139 H1 A 38 H1 A 38 3.884 -3.964 -0.494 140 1H5* U 39 1H5' U 39 -0.814 -2.511 -8.939 141 2H5* U 39 2H5' U 39 0.083 -1.490 -7.793 142 H4* U 39 H4' U 39 -0.172 -4.514 -7.433 143 H3* U 39 H3' U 39 -1.930 -2.232 -6.507 144 H2* U 39 H2' U 39 -2.093 -3.172 -4.367 145 2HO* U 39 2HO* U 39 -2.696 -5.248 -5.230 146 H1* U 39 H1' U 39 0.423 -4.552 -4.449 147 H3 U 39 H3 U 39 0.250 -2.240 -0.510 148 H5 U 39 H5 U 39 1.529 0.618 -3.318 149 H6 U 39 H6 U 39 1.015 -0.808 -5.053 150 1HN4 5MC 40 1H4 5MC 40 -2.395 -0.442 0.747 151 2HN4 5MC 40 2H4 5MC 40 -2.371 0.156 -0.889 152 1HM5 5MC 40 1H5A 5MC 40 -3.611 0.098 -2.868 153 2HM5 5MC 40 2H5A 5MC 40 -2.081 -0.774 -3.111 154 3HM5 5MC 40 3H5A 5MC 40 -3.504 -1.195 -4.078 155 H6 5MC 40 H6 5MC 40 -4.454 -3.239 -3.376 156 H1* 5MC 40 H1' 5MC 40 -4.457 -6.088 -1.059 157 H2* 5MC 40 H2' 5MC 40 -6.856 -4.647 -1.243 158 *HO2 5MC 40 2HO* 5MC 40 -6.548 -6.724 -0.347 159 H3* 5MC 40 H3' 5MC 40 -6.667 -4.312 -3.618 160 H4* 5MC 40 H4' 5MC 40 -5.630 -7.155 -3.772 161 1H5* 5MC 40 1H5' 5MC 40 -4.416 -6.496 -5.715 162 2H5* 5MC 40 2H5' 5MC 40 -6.077 -5.915 -5.938 163 1H5* U 41 1H5' U 41 -9.379 -6.587 -0.784 164 2H5* U 41 2H5' U 41 -11.019 -5.955 -1.016 165 H4* U 41 H4' U 41 -9.988 -5.635 1.315 166 H3* U 41 H3' U 41 -11.005 -3.250 -0.254 167 H2* U 41 H2' U 41 -10.461 -1.894 1.654 168 2HO* U 41 2HO* U 41 -11.379 -3.437 3.141 169 H1* U 41 H1' U 41 -8.070 -3.335 2.289 170 H3 U 41 H3 U 41 -6.632 0.861 1.520 171 H5 U 41 H5 U 41 -6.948 -0.939 -2.274 172 H6 U 41 H6 U 41 -8.194 -2.717 -1.273 173 1H5* G 42 1H5' G 42 -13.579 -2.453 3.570 174 2H5* G 42 2H5' G 42 -15.147 -2.060 2.831 175 H4* G 42 H4' G 42 -14.096 -0.206 4.244 176 H3* G 42 H3' G 42 -14.772 0.286 1.330 177 H2* G 42 H2' G 42 -13.941 2.475 1.532 178 2HO* G 42 2HO* G 42 -14.368 2.176 4.328 179 H1* G 42 H1' G 42 -12.119 1.839 3.700 180 H8 G 42 H8 G 42 -11.303 -0.086 0.544 181 H1 G 42 H1 G 42 -8.798 5.830 0.721 182 1H2 G 42 1H2 G 42 -10.005 7.108 2.147 183 2H2 G 42 2H2 G 42 -11.312 6.448 3.103 184 1H5* G 43 1H5' G 43 -16.714 4.157 3.263 185 2H5* G 43 2H5' G 43 -18.183 4.196 2.269 186 H4* G 43 H4' G 43 -16.952 6.265 1.953 187 H3* G 43 H3' G 43 -16.657 4.436 -0.457 188 H2* G 43 H2' G 43 -15.746 6.207 -1.602 189 2HO* G 43 2HO* G 43 -16.930 7.851 0.398 190 H1* G 43 H1' G 43 -14.652 7.287 0.838 191 H8 G 43 H8 G 43 -13.984 3.724 -0.535 192 H1 G 43 H1 G 43 -9.450 7.995 -2.134 193 1H2 G 43 1H2 G 43 -10.027 10.041 -1.438 194 2H2 G 43 2H2 G 43 -11.527 10.350 -0.594 195 H3T G 43 HO3' G 43 -18.456 5.767 -1.172 Start of MODEL 9 1 1H5* C 27 1H5' C 27 -3.127 14.388 -3.298 2 2H5* C 27 2H5' C 27 -2.886 12.628 -3.414 3 H4* C 27 H4' C 27 -5.526 14.049 -3.997 4 H3* C 27 H3' C 27 -4.573 12.526 -1.522 5 H2* C 27 H2' C 27 -6.672 11.648 -1.284 6 2HO* C 27 2HO* C 27 -8.535 12.728 -2.112 7 H1* C 27 H1' C 27 -7.456 12.044 -4.049 8 1H4 C 27 1H4 C 27 -8.055 5.767 -3.665 9 2H4 C 27 2H4 C 27 -6.397 5.628 -4.196 10 H5 C 27 H5 C 27 -4.860 7.531 -4.308 11 H6 C 27 H6 C 27 -4.685 9.932 -4.090 12 H5T C 27 H5' C 27 -2.287 13.747 -5.324 13 1H5* C 28 1H5' C 28 -4.028 13.499 2.303 14 2H5* C 28 2H5' C 28 -4.300 12.485 0.867 15 H4* C 28 H4' C 28 -6.476 13.044 2.934 16 H3* C 28 H3' C 28 -4.496 10.764 2.592 17 H2* C 28 H2' C 28 -6.163 9.273 3.354 18 2HO* C 28 2HO* C 28 -6.745 10.560 5.175 19 H1* C 28 H1' C 28 -8.295 10.798 2.204 20 1H4 C 28 1H4 C 28 -7.249 5.061 -0.545 21 2H4 C 28 2H4 C 28 -5.713 5.550 -1.195 22 H5 C 28 H5 C 28 -4.920 7.942 -0.991 23 H6 C 28 H6 C 28 -5.354 10.073 0.085 24 1H5* A 29 1H5' A 29 -3.264 8.392 6.400 25 2H5* A 29 2H5' A 29 -4.235 8.394 4.974 26 H4* A 29 H4' A 29 -5.624 8.123 7.651 27 H3* A 29 H3' A 29 -3.892 6.009 6.380 28 H2* A 29 H2' A 29 -5.588 4.330 6.787 29 2HO* A 29 2HO* A 29 -7.469 4.903 7.968 30 H1* A 29 H1' A 29 -7.662 5.804 5.847 31 H8 A 29 H8 A 29 -4.690 6.946 3.751 32 1H6 A 29 1H6 A 29 -6.060 2.250 0.021 33 2H6 A 29 2H6 A 29 -5.162 3.729 0.220 34 H2 A 29 H2 A 29 -8.142 1.549 3.971 35 1H5* G 30 1H5' G 30 -5.440 3.822 9.935 36 2H5* G 30 2H5' G 30 -4.045 3.176 10.827 37 H4* G 30 H4' G 30 -5.717 1.427 10.231 38 H3* G 30 H3' G 30 -2.945 1.189 9.048 39 H2* G 30 H2' G 30 -3.621 -0.832 7.964 40 2HO* G 30 2HO* G 30 -4.731 -1.692 9.776 41 H1* G 30 H1' G 30 -6.069 -0.033 7.218 42 H8 G 30 H8 G 30 -3.727 2.891 6.606 43 H1 G 30 H1 G 30 -4.125 -1.391 1.850 44 1H2 G 30 1H2 G 30 -5.115 -3.252 2.577 45 2H2 G 30 2H2 G 30 -5.671 -3.424 4.226 46 1H5* A 31 1H5' A 31 -0.595 -2.729 9.648 47 2H5* A 31 2H5' A 31 -1.277 -1.624 8.470 48 H4* A 31 H4' A 31 -2.458 -4.397 8.934 49 H3* A 31 H3' A 31 0.009 -3.637 7.406 50 H2* A 31 H2' A 31 -0.643 -4.849 5.470 51 2HO* A 31 2HO* A 31 -1.488 -6.651 6.695 52 H1* A 31 H1' A 31 -3.249 -4.010 5.404 53 H8 A 31 H8 A 31 -2.070 -0.804 6.608 54 1H6 A 31 1H6 A 31 0.537 0.209 1.093 55 2H6 A 31 2H6 A 31 0.064 0.929 2.615 56 H2 A 31 H2 A 31 -0.542 -4.143 1.341 57 1HN4 OMC 32 1H4 OMC 32 3.057 0.789 3.365 58 2HN4 OMC 32 2H4 OMC 32 2.491 0.527 4.997 59 H5 OMC 32 H5 OMC 32 1.829 -1.689 5.857 60 H6 OMC 32 H6 OMC 32 1.840 -4.077 5.353 61 H1* OMC 32 H1' OMC 32 2.248 -5.350 2.017 62 H2* OMC 32 H2' OMC 32 4.583 -5.370 3.629 63 1HM2 OMC 32 1H2A OMC 32 3.584 -7.493 0.428 64 2HM2 OMC 32 2H2A OMC 32 2.365 -7.421 1.692 65 3HM2 OMC 32 3H2A OMC 32 3.679 -8.608 1.802 66 H3* OMC 32 H3' OMC 32 3.814 -6.375 5.438 67 H4* OMC 32 H4' OMC 32 1.832 -7.850 3.816 68 1H5* OMC 32 1H5' OMC 32 0.295 -7.414 5.725 69 2H5* OMC 32 2H5' OMC 32 1.806 -8.150 6.304 70 1H5* U 33 1H5' U 33 7.960 -7.369 3.809 71 2H5* U 33 2H5' U 33 6.393 -7.077 3.126 72 H4* U 33 H4' U 33 7.279 -9.416 1.785 73 H3* U 33 H3' U 33 9.660 -7.854 2.526 74 H2* U 33 H2' U 33 9.921 -6.537 0.731 75 2HO* U 33 2HO* U 33 10.904 -8.440 -0.199 76 H1* U 33 H1' U 33 7.730 -7.625 -0.961 77 H3 U 33 H3 U 33 8.669 -3.286 -2.343 78 H5 U 33 H5 U 33 6.424 -2.935 1.216 79 H6 U 33 H6 U 33 6.688 -5.286 1.559 80 H1* OMG 34 H1' OMG 34 14.970 -8.961 -1.663 81 H2* OMG 34 H2' OMG 34 14.966 -6.282 -0.386 82 H3* OMG 34 H3' OMG 34 14.284 -6.852 1.654 83 H4* OMG 34 H4' OMG 34 14.779 -9.763 1.260 84 1HM2 OMG 34 1H2A OMG 34 17.413 -6.016 -1.596 85 2HM2 OMG 34 2H2A OMG 34 17.691 -7.587 -2.313 86 3HM2 OMG 34 3H2A OMG 34 16.103 -6.824 -2.490 87 1H5* OMG 34 1H5' OMG 34 13.056 -8.793 2.968 88 2H5* OMG 34 2H5' OMG 34 12.179 -8.074 1.597 89 H8 OMG 34 H8 OMG 34 12.879 -5.684 -0.986 90 HN1 OMG 34 H1 OMG 34 11.925 -8.477 -6.708 91 1HN2 OMG 34 1H2 OMG 34 13.163 -10.348 -6.865 92 2HN2 OMG 34 2H2 OMG 34 14.199 -10.885 -5.563 93 1H5* A 35 1H5' A 35 17.673 -5.719 0.523 94 2H5* A 35 2H5' A 35 18.458 -4.686 1.700 95 H4* A 35 H4' A 35 17.325 -2.787 1.049 96 H3* A 35 H3' A 35 14.945 -4.232 0.621 97 H2* A 35 H2' A 35 15.623 -4.920 -1.694 98 2HO* A 35 2HO* A 35 13.668 -3.706 -1.760 99 H1* A 35 H1' A 35 16.686 -2.297 -1.903 100 H8 A 35 H8 A 35 19.624 -3.962 -2.704 101 1H6 A 35 1H6 A 35 17.948 -4.292 -8.637 102 2H6 A 35 2H6 A 35 19.252 -4.508 -7.491 103 H2 A 35 H2 A 35 14.307 -3.207 -6.239 104 1H5* A 36 1H5' A 36 15.142 -0.378 -1.737 105 2H5* A 36 2H5' A 36 14.178 0.863 -0.925 106 H4* A 36 H4' A 36 14.348 1.035 -3.429 107 H3* A 36 H3' A 36 12.304 1.783 -1.905 108 H2* A 36 H2' A 36 11.037 -0.260 -2.286 109 2HO* A 36 2HO* A 36 9.779 1.620 -3.145 110 H1* A 36 H1' A 36 12.031 0.094 -5.151 111 H8 A 36 H8 A 36 11.326 -2.932 -2.729 112 1H6 A 36 1H6 A 36 7.898 -5.144 -7.378 113 2H6 A 36 2H6 A 36 8.614 -5.498 -5.820 114 H2 A 36 H2 A 36 9.270 -1.028 -8.510 115 H1* 1MG 37 H1' 1MG 37 5.886 2.253 -3.767 116 H2* 1MG 37 H2' 1MG 37 6.614 5.143 -3.982 117 H3* 1MG 37 H3' 1MG 37 7.386 4.941 -6.242 118 H4* 1MG 37 H4' 1MG 37 8.863 2.722 -5.874 119 *HO2 1MG 37 2HO* 1MG 37 4.713 4.739 -5.495 120 1H5* 1MG 37 1H5' 1MG 37 9.848 4.825 -5.395 121 2H5* 1MG 37 2H5' 1MG 37 8.891 5.068 -3.926 122 H8 1MG 37 H8 1MG 37 8.808 3.505 -1.735 123 1HN2 1MG 37 1H2 1MG 37 1.463 3.512 -0.185 124 2HN2 1MG 37 2H2 1MG 37 1.855 3.202 -1.859 125 1HM1 1MG 37 1H1A 1MG 37 2.204 2.870 1.697 126 2HM1 1MG 37 2H1A 1MG 37 2.256 4.645 1.540 127 3HM1 1MG 37 3H1A 1MG 37 3.277 3.812 2.714 128 1H5* A 38 1H5' A 38 5.802 1.104 -8.925 129 2H5* A 38 2H5' A 38 4.123 1.210 -9.459 130 H4* A 38 H4' A 38 4.931 -1.048 -8.801 131 H3* A 38 H3' A 38 2.721 0.116 -7.099 132 H2* A 38 H2' A 38 2.716 -1.897 -5.911 133 2HO* A 38 2HO* A 38 4.156 -3.064 -8.082 134 H1* A 38 H1' A 38 5.489 -2.468 -6.171 135 H8 A 38 H8 A 38 4.621 0.892 -5.001 136 1H6 A 38 1H6 A 38 3.617 -1.594 0.665 137 2H6 A 38 2H6 A 38 3.788 -0.084 -0.191 138 H2 A 38 H2 A 38 4.003 -4.950 -2.402 139 H1 A 38 H1 A 38 3.801 -3.625 -0.420 140 1H5* U 39 1H5' U 39 1.181 -3.866 -8.257 141 2H5* U 39 2H5' U 39 -0.541 -3.701 -8.645 142 H4* U 39 H4' U 39 0.003 -5.250 -6.670 143 H3* U 39 H3' U 39 -1.806 -2.844 -6.341 144 H2* U 39 H2' U 39 -2.068 -3.354 -4.080 145 2HO* U 39 2HO* U 39 -2.692 -5.523 -4.448 146 H1* U 39 H1' U 39 0.444 -4.727 -3.812 147 H3 U 39 H3 U 39 0.063 -1.831 -0.276 148 H5 U 39 H5 U 39 1.250 0.640 -3.463 149 H6 U 39 H6 U 39 0.928 -1.074 -4.957 150 1HN4 5MC 40 1H4 5MC 40 -2.839 -0.169 0.429 151 2HN4 5MC 40 2H4 5MC 40 -2.936 0.222 -1.270 152 1HM5 5MC 40 1H5A 5MC 40 -3.790 -1.664 -4.229 153 2HM5 5MC 40 2H5A 5MC 40 -3.978 -0.244 -3.184 154 3HM5 5MC 40 3H5A 5MC 40 -2.391 -1.029 -3.344 155 H6 5MC 40 H6 5MC 40 -4.471 -3.691 -3.275 156 H1* 5MC 40 H1' 5MC 40 -4.398 -6.235 -0.611 157 H2* 5MC 40 H2' 5MC 40 -6.857 -4.976 -0.974 158 *HO2 5MC 40 2HO* 5MC 40 -7.561 -7.259 -1.139 159 H3* 5MC 40 H3' 5MC 40 -6.625 -4.837 -3.387 160 H4* 5MC 40 H4' 5MC 40 -5.502 -7.651 -3.253 161 1H5* 5MC 40 1H5' 5MC 40 -4.205 -7.093 -5.195 162 2H5* 5MC 40 2H5' 5MC 40 -5.890 -6.647 -5.540 163 1H5* U 41 1H5' U 41 -9.370 -6.875 -0.425 164 2H5* U 41 2H5' U 41 -11.005 -6.282 -0.772 165 H4* U 41 H4' U 41 -10.069 -5.726 1.553 166 H3* U 41 H3' U 41 -11.009 -3.523 -0.306 167 H2* U 41 H2' U 41 -10.571 -1.967 1.472 168 2HO* U 41 2HO* U 41 -11.529 -3.313 3.093 169 H1* U 41 H1' U 41 -8.212 -3.287 2.341 170 H3 U 41 H3 U 41 -6.776 0.789 1.053 171 H5 U 41 H5 U 41 -7.110 -1.412 -2.515 172 H6 U 41 H6 U 41 -8.295 -3.097 -1.300 173 1H5* G 42 1H5' G 42 -13.587 -2.499 3.376 174 2H5* G 42 2H5' G 42 -15.192 -2.221 2.663 175 H4* G 42 H4' G 42 -14.272 -0.218 3.902 176 H3* G 42 H3' G 42 -14.787 0.016 0.917 177 H2* G 42 H2' G 42 -14.123 2.274 1.029 178 2HO* G 42 2HO* G 42 -15.511 2.712 2.849 179 H1* G 42 H1' G 42 -12.286 1.861 3.220 180 H8 G 42 H8 G 42 -11.486 -0.315 0.207 181 H1 G 42 H1 G 42 -9.021 5.618 -0.030 182 1H2 G 42 1H2 G 42 -10.194 6.966 1.345 183 2H2 G 42 2H2 G 42 -11.479 6.358 2.365 184 1H5* G 43 1H5' G 43 -17.196 3.872 2.359 185 2H5* G 43 2H5' G 43 -18.568 3.650 1.255 186 H4* G 43 H4' G 43 -17.518 5.793 0.792 187 H3* G 43 H3' G 43 -16.819 3.747 -1.352 188 H2* G 43 H2' G 43 -16.038 5.511 -2.631 189 2HO* G 43 2HO* G 43 -16.521 7.672 -2.081 190 H1* G 43 H1' G 43 -15.185 6.893 -0.264 191 H8 G 43 H8 G 43 -14.135 3.255 -1.136 192 H1 G 43 H1 G 43 -9.944 7.757 -3.018 193 1H2 G 43 1H2 G 43 -10.815 9.798 -2.679 194 2H2 G 43 2H2 G 43 -12.401 10.028 -1.977 195 H3T G 43 HO3' G 43 -19.100 4.075 -0.964 Start of MODEL 10 1 1H5* C 27 1H5' C 27 -2.336 14.829 -0.544 2 2H5* C 27 2H5' C 27 -2.150 13.103 -0.949 3 H4* C 27 H4' C 27 -4.684 14.733 -1.438 4 H3* C 27 H3' C 27 -3.993 12.734 0.778 5 H2* C 27 H2' C 27 -6.176 12.008 0.730 6 2HO* C 27 2HO* C 27 -6.904 14.264 1.006 7 H1* C 27 H1' C 27 -6.694 12.868 -1.982 8 1H4 C 27 1H4 C 27 -7.574 6.713 -2.895 9 2H4 C 27 2H4 C 27 -5.875 6.573 -3.275 10 H5 C 27 H5 C 27 -4.255 8.353 -2.847 11 H6 C 27 H6 C 27 -4.002 10.650 -2.156 12 H5T C 27 H5' C 27 -1.377 14.512 -2.590 13 1H5* C 28 1H5' C 28 -3.865 13.016 4.824 14 2H5* C 28 2H5' C 28 -3.948 12.234 3.226 15 H4* C 28 H4' C 28 -6.344 12.505 5.103 16 H3* C 28 H3' C 28 -4.384 10.256 4.520 17 H2* C 28 H2' C 28 -6.142 8.710 4.793 18 2HO* C 28 2HO* C 28 -6.870 9.644 6.781 19 H1* C 28 H1' C 28 -8.124 10.529 3.800 20 1H4 C 28 1H4 C 28 -6.990 5.354 0.136 21 2H4 C 28 2H4 C 28 -5.360 5.842 -0.216 22 H5 C 28 H5 C 28 -4.512 8.125 0.482 23 H6 C 28 H6 C 28 -5.003 10.070 1.857 24 1H5* A 29 1H5' A 29 -3.417 7.206 7.906 25 2H5* A 29 2H5' A 29 -4.278 7.495 6.445 26 H4* A 29 H4' A 29 -5.848 6.740 8.925 27 H3* A 29 H3' A 29 -4.098 4.856 7.350 28 H2* A 29 H2' A 29 -5.881 3.202 7.332 29 2HO* A 29 2HO* A 29 -7.823 3.660 8.479 30 H1* A 29 H1' A 29 -7.823 4.922 6.558 31 H8 A 29 H8 A 29 -4.686 6.342 4.933 32 1H6 A 29 1H6 A 29 -5.726 2.371 0.344 33 2H6 A 29 2H6 A 29 -4.858 3.790 0.861 34 H2 A 29 H2 A 29 -8.202 1.082 3.893 35 1H5* G 30 1H5' G 30 -5.906 2.041 10.236 36 2H5* G 30 2H5' G 30 -4.614 1.191 11.114 37 H4* G 30 H4' G 30 -6.319 -0.316 10.038 38 H3* G 30 H3' G 30 -3.411 -0.564 9.341 39 H2* G 30 H2' G 30 -3.820 -2.022 7.583 40 2HO* G 30 2HO* G 30 -5.136 -3.455 8.844 41 H1* G 30 H1' G 30 -6.327 -1.171 6.818 42 H8 G 30 H8 G 30 -4.084 1.844 6.827 43 H1 G 30 H1 G 30 -4.089 -1.686 1.457 44 1H2 G 30 1H2 G 30 -5.058 -3.645 1.828 45 2H2 G 30 2H2 G 30 -5.690 -4.084 3.398 46 1H5* A 31 1H5' A 31 -1.749 -5.277 9.487 47 2H5* A 31 2H5' A 31 -1.634 -3.680 8.726 48 H4* A 31 H4' A 31 -3.532 -5.788 7.611 49 H3* A 31 H3' A 31 -0.567 -5.577 7.344 50 H2* A 31 H2' A 31 -0.480 -5.179 5.157 51 2HO* A 31 2HO* A 31 -1.858 -6.221 3.661 52 H1* A 31 H1' A 31 -3.353 -4.685 4.770 53 H8 A 31 H8 A 31 -2.260 -1.592 6.204 54 1H6 A 31 1H6 A 31 0.605 -0.035 0.956 55 2H6 A 31 2H6 A 31 0.086 0.510 2.534 56 H2 A 31 H2 A 31 -0.522 -4.376 0.684 57 1HN4 OMC 32 1H4 OMC 32 2.802 0.186 3.497 58 2HN4 OMC 32 2H4 OMC 32 2.249 -0.208 5.125 59 H5 OMC 32 H5 OMC 32 1.708 -2.497 5.832 60 H6 OMC 32 H6 OMC 32 1.952 -4.845 5.257 61 H1* OMC 32 H1' OMC 32 2.333 -5.901 1.841 62 H2* OMC 32 H2' OMC 32 4.746 -5.950 3.400 63 1HM2 OMC 32 1H2A OMC 32 3.361 -6.952 0.266 64 2HM2 OMC 32 2H2A OMC 32 4.065 -8.559 0.386 65 3HM2 OMC 32 3H2A OMC 32 2.695 -8.144 1.415 66 H3* OMC 32 H3' OMC 32 4.064 -7.093 5.173 67 H4* OMC 32 H4' OMC 32 2.091 -8.530 3.527 68 1H5* OMC 32 1H5' OMC 32 2.216 -8.786 6.063 69 2H5* OMC 32 2H5' OMC 32 1.886 -7.048 6.221 70 1H5* U 33 1H5' U 33 8.358 -8.723 3.253 71 2H5* U 33 2H5' U 33 7.282 -7.427 2.794 72 H4* U 33 H4' U 33 7.481 -9.798 0.963 73 H3* U 33 H3' U 33 9.903 -8.271 1.722 74 H2* U 33 H2' U 33 9.940 -6.645 0.206 75 2HO* U 33 2HO* U 33 10.894 -8.353 -1.125 76 H1* U 33 H1' U 33 7.712 -7.480 -1.537 77 H3 U 33 H3 U 33 8.427 -2.902 -1.970 78 H5 U 33 H5 U 33 6.633 -3.402 1.816 79 H6 U 33 H6 U 33 6.769 -5.774 1.518 80 H1* OMG 34 H1' OMG 34 14.732 -8.604 -3.117 81 H2* OMG 34 H2' OMG 34 14.924 -6.259 -1.295 82 H3* OMG 34 H3' OMG 34 14.678 -7.252 0.662 83 H4* OMG 34 H4' OMG 34 15.006 -9.995 -0.418 84 1HM2 OMG 34 1H2A OMG 34 17.190 -5.629 -2.785 85 2HM2 OMG 34 2H2A OMG 34 17.206 -6.963 -3.925 86 3HM2 OMG 34 3H2A OMG 34 15.668 -6.172 -3.542 87 1H5* OMG 34 1H5' OMG 34 13.591 -9.449 1.718 88 2H5* OMG 34 2H5' OMG 34 12.562 -8.407 0.710 89 H8 OMG 34 H8 OMG 34 12.849 -5.572 -1.437 90 HN1 OMG 34 H1 OMG 34 10.412 -7.582 -7.043 91 1HN2 OMG 34 1H2 OMG 34 11.782 -9.096 -7.974 92 2HN2 OMG 34 2H2 OMG 34 13.223 -9.666 -7.164 93 1H5* A 35 1H5' A 35 17.778 -5.852 -0.720 94 2H5* A 35 2H5' A 35 18.856 -5.179 0.487 95 H4* A 35 H4' A 35 17.694 -3.178 0.643 96 H3* A 35 H3' A 35 15.222 -4.469 0.295 97 H2* A 35 H2' A 35 15.499 -4.571 -2.181 98 2HO* A 35 2HO* A 35 13.561 -3.425 -1.575 99 H1* A 35 H1' A 35 16.485 -1.942 -1.952 100 H8 A 35 H8 A 35 19.224 -3.350 -3.644 101 1H6 A 35 1H6 A 35 16.639 -1.750 -9.012 102 2H6 A 35 2H6 A 35 18.085 -2.342 -8.226 103 H2 A 35 H2 A 35 13.477 -1.488 -5.843 104 1H5* A 36 1H5' A 36 15.182 0.084 -0.838 105 2H5* A 36 2H5' A 36 14.287 0.909 0.447 106 H4* A 36 H4' A 36 14.096 1.946 -1.811 107 H3* A 36 H3' A 36 12.211 1.944 0.042 108 H2* A 36 H2' A 36 11.179 -0.104 -0.794 109 2HO* A 36 2HO* A 36 9.538 1.543 -0.664 110 H1* A 36 H1' A 36 11.544 1.305 -3.477 111 H8 A 36 H8 A 36 11.013 -2.304 -1.979 112 1H6 A 36 1H6 A 36 8.875 -3.653 -7.635 113 2H6 A 36 2H6 A 36 9.135 -4.251 -6.012 114 H2 A 36 H2 A 36 10.270 0.598 -7.674 115 H1* 1MG 37 H1' 1MG 37 5.619 2.787 -3.519 116 H2* 1MG 37 H2' 1MG 37 6.712 5.543 -3.860 117 H3* 1MG 37 H3' 1MG 37 8.324 4.891 -5.518 118 H4* 1MG 37 H4' 1MG 37 9.237 2.675 -4.277 119 *HO2 1MG 37 2HO* 1MG 37 5.610 4.936 -5.974 120 1H5* 1MG 37 1H5' 1MG 37 10.285 4.672 -3.722 121 2H5* 1MG 37 2H5' 1MG 37 8.839 5.411 -3.010 122 H8 1MG 37 H8 1MG 37 7.724 4.482 -0.803 123 1HN2 1MG 37 1H2 1MG 37 0.327 4.451 -2.053 124 2HN2 1MG 37 2H2 1MG 37 1.299 3.835 -3.370 125 1HM1 1MG 37 1H1A 1MG 37 0.461 5.909 -0.431 126 2HM1 1MG 37 2H1A 1MG 37 0.965 5.412 1.183 127 3HM1 1MG 37 3H1A 1MG 37 0.317 4.206 0.084 128 1H5* A 38 1H5' A 38 7.427 0.864 -8.485 129 2H5* A 38 2H5' A 38 5.981 1.058 -9.472 130 H4* A 38 H4' A 38 6.450 -1.168 -8.305 131 H3* A 38 H3' A 38 3.802 0.213 -7.887 132 H2* A 38 H2' A 38 3.261 -1.325 -6.273 133 2HO* A 38 2HO* A 38 3.948 -3.523 -6.385 134 H1* A 38 H1' A 38 6.031 -2.357 -5.954 135 H8 A 38 H8 A 38 5.213 0.911 -4.526 136 1H6 A 38 1H6 A 38 3.667 -2.034 0.744 137 2H6 A 38 2H6 A 38 4.037 -0.478 0.043 138 H2 A 38 H2 A 38 3.855 -5.091 -2.665 139 H1 A 38 H1 A 38 3.713 -3.973 -0.544 140 1H5* U 39 1H5' U 39 -0.084 -2.074 -9.138 141 2H5* U 39 2H5' U 39 0.765 -1.132 -7.891 142 H4* U 39 H4' U 39 0.315 -4.148 -7.660 143 H3* U 39 H3' U 39 -1.356 -1.782 -6.792 144 H2* U 39 H2' U 39 -1.763 -2.776 -4.714 145 2HO* U 39 2HO* U 39 -2.454 -4.770 -5.625 146 H1* U 39 H1' U 39 0.646 -4.302 -4.617 147 H3 U 39 H3 U 39 0.361 -2.028 -0.654 148 H5 U 39 H5 U 39 1.790 0.855 -3.366 149 H6 U 39 H6 U 39 1.378 -0.561 -5.138 150 1HN4 5MC 40 1H4 5MC 40 -2.574 -0.332 0.413 151 2HN4 5MC 40 2H4 5MC 40 -2.637 0.417 -1.161 152 1HM5 5MC 40 1H5A 5MC 40 -3.470 0.348 -3.246 153 2HM5 5MC 40 2H5A 5MC 40 -1.907 -0.488 -3.398 154 3HM5 5MC 40 3H5A 5MC 40 -3.233 -0.880 -4.505 155 H6 5MC 40 H6 5MC 40 -4.198 -2.950 -3.989 156 H1* 5MC 40 H1' 5MC 40 -4.416 -5.966 -1.895 157 H2* 5MC 40 H2' 5MC 40 -6.753 -4.442 -2.134 158 *HO2 5MC 40 2HO* 5MC 40 -6.568 -6.599 -1.403 159 H3* 5MC 40 H3' 5MC 40 -6.392 -3.926 -4.465 160 H4* 5MC 40 H4' 5MC 40 -5.421 -6.782 -4.773 161 1H5* 5MC 40 1H5' 5MC 40 -4.011 -5.969 -6.540 162 2H5* 5MC 40 2H5' 5MC 40 -5.653 -5.373 -6.858 163 1H5* U 41 1H5' U 41 -9.311 -6.345 -2.080 164 2H5* U 41 2H5' U 41 -10.934 -5.690 -2.370 165 H4* U 41 H4' U 41 -10.097 -5.584 0.055 166 H3* U 41 H3' U 41 -10.954 -3.066 -1.399 167 H2* U 41 H2' U 41 -10.546 -1.852 0.625 168 2HO* U 41 2HO* U 41 -11.617 -3.440 1.941 169 H1* U 41 H1' U 41 -8.276 -3.407 1.373 170 H3 U 41 H3 U 41 -6.590 0.759 1.037 171 H5 U 41 H5 U 41 -6.741 -0.675 -2.913 172 H6 U 41 H6 U 41 -8.105 -2.488 -2.148 173 1H5* G 42 1H5' G 42 -13.694 -2.616 2.307 174 2H5* G 42 2H5' G 42 -15.242 -2.157 1.562 175 H4* G 42 H4' G 42 -14.308 -0.432 3.169 176 H3* G 42 H3' G 42 -14.683 0.335 0.253 177 H2* G 42 H2' G 42 -13.972 2.520 0.808 178 2HO* G 42 2HO* G 42 -15.431 2.629 2.639 179 H1* G 42 H1' G 42 -12.237 1.639 2.950 180 H8 G 42 H8 G 42 -11.314 0.034 -0.354 181 H1 G 42 H1 G 42 -8.773 5.859 0.618 182 1H2 G 42 1H2 G 42 -10.035 6.978 2.118 183 2H2 G 42 2H2 G 42 -11.392 6.231 2.929 184 1H5* G 43 1H5' G 43 -17.026 3.972 2.228 185 2H5* G 43 2H5' G 43 -18.352 4.002 1.048 186 H4* G 43 H4' G 43 -17.214 6.143 1.006 187 H3* G 43 H3' G 43 -16.459 4.481 -1.429 188 H2* G 43 H2' G 43 -15.568 6.419 -2.334 189 2HO* G 43 2HO* G 43 -17.389 7.754 -1.802 190 H1* G 43 H1' G 43 -14.814 7.333 0.281 191 H8 G 43 H8 G 43 -13.797 3.882 -1.184 192 H1 G 43 H1 G 43 -9.405 8.509 -2.016 193 1H2 G 43 1H2 G 43 -10.235 10.481 -1.334 194 2H2 G 43 2H2 G 43 -11.848 10.634 -0.677 195 H3T G 43 HO3' G 43 -18.751 4.823 -1.099 Start of MODEL 11 1 1H5* C 27 1H5' C 27 -2.293 13.281 -3.252 2 2H5* C 27 2H5' C 27 -1.774 14.167 -1.781 3 H4* C 27 H4' C 27 -4.150 14.258 -1.763 4 H3* C 27 H3' C 27 -3.487 11.760 -0.119 5 H2* C 27 H2' C 27 -5.789 11.762 0.432 6 2HO* C 27 2HO* C 27 -5.816 14.080 0.811 7 H1* C 27 H1' C 27 -6.581 12.645 -2.133 8 1H4 C 27 1H4 C 27 -7.951 6.472 -2.633 9 2H4 C 27 2H4 C 27 -6.356 6.207 -3.298 10 H5 C 27 H5 C 27 -4.587 7.899 -3.244 11 H6 C 27 H6 C 27 -4.079 10.182 -2.711 12 H5T C 27 H5' C 27 -0.711 12.143 -2.101 13 1H5* C 28 1H5' C 28 -5.218 14.006 3.111 14 2H5* C 28 2H5' C 28 -4.265 13.633 4.564 15 H4* C 28 H4' C 28 -6.593 12.792 4.740 16 H3* C 28 H3' C 28 -4.489 10.599 4.449 17 H2* C 28 H2' C 28 -6.254 9.047 4.766 18 2HO* C 28 2HO* C 28 -7.743 11.230 5.810 19 H1* C 28 H1' C 28 -8.208 10.756 3.553 20 1H4 C 28 1H4 C 28 -7.149 5.467 0.031 21 2H4 C 28 2H4 C 28 -5.515 5.941 -0.333 22 H5 C 28 H5 C 28 -4.582 8.138 0.425 23 H6 C 28 H6 C 28 -4.985 10.039 1.844 24 1H5* A 29 1H5' A 29 -3.762 7.756 8.180 25 2H5* A 29 2H5' A 29 -4.267 7.754 6.482 26 H4* A 29 H4' A 29 -6.150 7.110 8.803 27 H3* A 29 H3' A 29 -4.336 5.277 7.216 28 H2* A 29 H2' A 29 -6.095 3.618 7.192 29 2HO* A 29 2HO* A 29 -8.032 4.024 8.354 30 H1* A 29 H1' A 29 -8.069 5.369 6.472 31 H8 A 29 H8 A 29 -5.161 6.860 4.637 32 1H6 A 29 1H6 A 29 -6.078 2.532 0.329 33 2H6 A 29 2H6 A 29 -5.214 3.988 0.746 34 H2 A 29 H2 A 29 -8.382 1.339 4.006 35 1H5* G 30 1H5' G 30 -6.069 2.498 10.092 36 2H5* G 30 2H5' G 30 -4.767 1.696 11.000 37 H4* G 30 H4' G 30 -6.376 0.092 9.977 38 H3* G 30 H3' G 30 -3.499 0.012 9.070 39 H2* G 30 H2' G 30 -4.015 -1.708 7.541 40 2HO* G 30 2HO* G 30 -5.223 -2.968 9.014 41 H1* G 30 H1' G 30 -6.489 -0.855 6.796 42 H8 G 30 H8 G 30 -4.225 2.165 6.712 43 H1 G 30 H1 G 30 -4.287 -1.443 1.387 44 1H2 G 30 1H2 G 30 -5.290 -3.394 1.813 45 2H2 G 30 2H2 G 30 -5.913 -3.791 3.398 46 1H5* A 31 1H5' A 31 -1.322 -4.194 9.303 47 2H5* A 31 2H5' A 31 -1.725 -2.803 8.282 48 H4* A 31 H4' A 31 -3.137 -5.492 7.993 49 H3* A 31 H3' A 31 -0.480 -4.580 6.921 50 H2* A 31 H2' A 31 -0.958 -5.363 4.738 51 2HO* A 31 2HO* A 31 -3.206 -6.658 5.901 52 H1* A 31 H1' A 31 -3.576 -4.486 4.636 53 H8 A 31 H8 A 31 -2.459 -1.457 6.238 54 1H6 A 31 1H6 A 31 0.364 0.165 0.998 55 2H6 A 31 2H6 A 31 -0.159 0.702 2.577 56 H2 A 31 H2 A 31 -0.738 -4.168 0.684 57 1HN4 OMC 32 1H4 OMC 32 2.579 0.329 3.548 58 2HN4 OMC 32 2H4 OMC 32 1.983 -0.136 5.126 59 H5 OMC 32 H5 OMC 32 1.447 -2.461 5.730 60 H6 OMC 32 H6 OMC 32 1.562 -4.777 4.969 61 H1* OMC 32 H1' OMC 32 2.072 -5.646 1.506 62 H2* OMC 32 H2' OMC 32 4.358 -5.776 3.267 63 1HM2 OMC 32 1H2A OMC 32 3.977 -8.176 0.044 64 2HM2 OMC 32 2H2A OMC 32 2.497 -7.824 0.932 65 3HM2 OMC 32 3H2A OMC 32 3.324 -6.544 -0.004 66 H3* OMC 32 H3' OMC 32 3.445 -6.965 4.930 67 H4* OMC 32 H4' OMC 32 1.720 -8.317 2.939 68 1H5* OMC 32 1H5' OMC 32 -0.075 -8.136 4.710 69 2H5* OMC 32 2H5' OMC 32 1.377 -8.959 5.329 70 1H5* U 33 1H5' U 33 8.027 -8.439 3.322 71 2H5* U 33 2H5' U 33 6.953 -7.181 2.766 72 H4* U 33 H4' U 33 7.337 -9.556 0.967 73 H3* U 33 H3' U 33 9.681 -7.999 1.887 74 H2* U 33 H2' U 33 9.959 -6.480 0.253 75 2HO* U 33 2HO* U 33 10.844 -8.220 -0.983 76 H1* U 33 H1' U 33 7.728 -7.160 -1.514 77 H3 U 33 H3 U 33 8.645 -2.619 -1.718 78 H5 U 33 H5 U 33 6.236 -3.193 1.699 79 H6 U 33 H6 U 33 6.508 -5.559 1.434 80 H1* OMG 34 H1' OMG 34 15.006 -9.026 -2.305 81 H2* OMG 34 H2' OMG 34 15.072 -6.464 -0.790 82 H3* OMG 34 H3' OMG 34 14.424 -7.214 1.196 83 H4* OMG 34 H4' OMG 34 14.784 -10.083 0.487 84 1HM2 OMG 34 1H2A OMG 34 17.536 -6.155 -2.038 85 2HM2 OMG 34 2H2A OMG 34 17.718 -7.667 -2.900 86 3HM2 OMG 34 3H2A OMG 34 16.166 -6.820 -2.959 87 1H5* OMG 34 1H5' OMG 34 13.113 -9.213 2.316 88 2H5* OMG 34 2H5' OMG 34 12.267 -8.325 1.025 89 H8 OMG 34 H8 OMG 34 13.019 -5.751 -1.361 90 HN1 OMG 34 H1 OMG 34 12.169 -7.912 -7.370 91 1HN2 OMG 34 1H2 OMG 34 13.271 -9.853 -7.652 92 2HN2 OMG 34 2H2 OMG 34 14.206 -10.580 -6.366 93 1H5* A 35 1H5' A 35 17.854 -6.065 0.096 94 2H5* A 35 2H5' A 35 18.669 -5.179 1.367 95 H4* A 35 H4' A 35 17.594 -3.196 0.921 96 H3* A 35 H3' A 35 15.155 -4.517 0.416 97 H2* A 35 H2' A 35 15.787 -5.004 -1.953 98 2HO* A 35 2HO* A 35 13.844 -3.753 -1.852 99 H1* A 35 H1' A 35 16.906 -2.398 -1.962 100 H8 A 35 H8 A 35 19.754 -4.058 -3.022 101 1H6 A 35 1H6 A 35 17.833 -3.876 -8.889 102 2H6 A 35 2H6 A 35 19.172 -4.224 -7.819 103 H2 A 35 H2 A 35 14.334 -2.845 -6.262 104 1H5* A 36 1H5' A 36 15.448 -0.487 -1.623 105 2H5* A 36 2H5' A 36 14.539 0.704 -0.682 106 H4* A 36 H4' A 36 14.664 1.114 -3.159 107 H3* A 36 H3' A 36 12.692 1.819 -1.543 108 H2* A 36 H2' A 36 11.456 -0.289 -1.935 109 2HO* A 36 2HO* A 36 10.096 1.609 -2.465 110 H1* A 36 H1' A 36 12.161 0.392 -4.814 111 H8 A 36 H8 A 36 11.522 -2.884 -2.715 112 1H6 A 36 1H6 A 36 7.941 -4.545 -7.472 113 2H6 A 36 2H6 A 36 8.674 -5.065 -5.971 114 H2 A 36 H2 A 36 9.407 -0.377 -8.239 115 H1* 1MG 37 H1' 1MG 37 6.277 2.078 -2.839 116 H2* 1MG 37 H2' 1MG 37 6.302 5.034 -3.443 117 H3* 1MG 37 H3' 1MG 37 7.714 4.904 -5.148 118 H4* 1MG 37 H4' 1MG 37 8.206 1.972 -4.804 119 *HO2 1MG 37 2HO* 1MG 37 4.636 4.304 -4.817 120 1H5* 1MG 37 1H5' 1MG 37 10.333 2.575 -5.182 121 2H5* 1MG 37 2H5' 1MG 37 9.860 4.272 -5.310 122 H8 1MG 37 H8 1MG 37 8.532 4.327 -0.831 123 1HN2 1MG 37 1H2 1MG 37 1.156 3.197 0.030 124 2HN2 1MG 37 2H2 1MG 37 1.843 2.448 -1.387 125 1HM1 1MG 37 1H1A 1MG 37 1.776 3.805 2.195 126 2HM1 1MG 37 2H1A 1MG 37 1.340 5.030 0.973 127 3HM1 1MG 37 3H1A 1MG 37 2.328 5.480 2.339 128 1H5* A 38 1H5' A 38 6.054 1.918 -8.675 129 2H5* A 38 2H5' A 38 4.370 1.960 -9.186 130 H4* A 38 H4' A 38 5.644 -0.259 -8.564 131 H3* A 38 H3' A 38 2.830 0.438 -7.795 132 H2* A 38 H2' A 38 2.742 -1.226 -6.244 133 2HO* A 38 2HO* A 38 3.773 -3.252 -6.538 134 H1* A 38 H1' A 38 5.625 -1.774 -6.064 135 H8 A 38 H8 A 38 4.384 1.410 -4.730 136 1H6 A 38 1H6 A 38 3.412 -1.698 0.653 137 2H6 A 38 2H6 A 38 3.488 -0.097 -0.040 138 H2 A 38 H2 A 38 3.983 -4.699 -2.724 139 H1 A 38 H1 A 38 3.715 -3.589 -0.625 140 1H5* U 39 1H5' U 39 -0.596 -2.459 -9.039 141 2H5* U 39 2H5' U 39 0.081 -1.338 -7.834 142 H4* U 39 H4' U 39 0.397 -4.351 -7.545 143 H3* U 39 H3' U 39 -1.981 -2.602 -6.932 144 H2* U 39 H2' U 39 -2.035 -3.124 -4.721 145 2HO* U 39 2HO* U 39 -2.461 -5.336 -5.265 146 H1* U 39 H1' U 39 0.602 -4.337 -4.505 147 H3 U 39 H3 U 39 -0.004 -1.926 -0.641 148 H5 U 39 H5 U 39 1.058 0.966 -3.499 149 H6 U 39 H6 U 39 0.760 -0.560 -5.197 150 1HN4 5MC 40 1H4 5MC 40 -2.779 -0.393 0.388 151 2HN4 5MC 40 2H4 5MC 40 -2.616 0.200 -1.244 152 1HM5 5MC 40 1H5A 5MC 40 -3.337 -1.217 -4.520 153 2HM5 5MC 40 2H5A 5MC 40 -3.857 0.078 -3.428 154 3HM5 5MC 40 3H5A 5MC 40 -2.196 -0.556 -3.345 155 H6 5MC 40 H6 5MC 40 -4.460 -3.167 -3.901 156 H1* 5MC 40 H1' 5MC 40 -4.599 -6.083 -1.709 157 H2* 5MC 40 H2' 5MC 40 -7.026 -4.788 -1.710 158 *HO2 5MC 40 2HO* 5MC 40 -7.822 -6.905 -2.445 159 H3* 5MC 40 H3' 5MC 40 -6.788 -3.982 -3.987 160 H4* 5MC 40 H4' 5MC 40 -5.850 -6.749 -4.788 161 1H5* 5MC 40 1H5' 5MC 40 -6.194 -5.069 -6.572 162 2H5* 5MC 40 2H5' 5MC 40 -5.157 -3.914 -5.737 163 1H5* U 41 1H5' U 41 -9.588 -6.299 -1.643 164 2H5* U 41 2H5' U 41 -11.225 -5.660 -1.895 165 H4* U 41 H4' U 41 -10.335 -5.478 0.498 166 H3* U 41 H3' U 41 -11.182 -3.005 -1.035 167 H2* U 41 H2' U 41 -10.674 -1.690 0.875 168 2HO* U 41 2HO* U 41 -10.344 -2.650 2.910 169 H1* U 41 H1' U 41 -8.424 -3.274 1.678 170 H3 U 41 H3 U 41 -6.854 0.921 1.136 171 H5 U 41 H5 U 41 -6.806 -0.810 -2.706 172 H6 U 41 H6 U 41 -8.133 -2.607 -1.852 173 1H5* G 42 1H5' G 42 -13.683 -2.411 2.632 174 2H5* G 42 2H5' G 42 -15.330 -2.046 2.067 175 H4* G 42 H4' G 42 -14.221 -0.223 3.491 176 H3* G 42 H3' G 42 -15.268 0.311 0.711 177 H2* G 42 H2' G 42 -14.247 2.357 0.605 178 2HO* G 42 2HO* G 42 -14.024 3.705 2.443 179 H1* G 42 H1' G 42 -12.498 1.891 2.945 180 H8 G 42 H8 G 42 -11.502 0.186 -0.303 181 H1 G 42 H1 G 42 -8.910 5.999 0.578 182 1H2 G 42 1H2 G 42 -10.132 7.141 2.093 183 2H2 G 42 2H2 G 42 -11.494 6.421 2.921 184 1H5* G 43 1H5' G 43 -18.252 3.444 -0.143 185 2H5* G 43 2H5' G 43 -16.549 2.969 -0.326 186 H4* G 43 H4' G 43 -17.527 5.612 0.887 187 H3* G 43 H3' G 43 -16.340 4.838 -1.799 188 H2* G 43 H2' G 43 -15.440 6.937 -2.012 189 2HO* G 43 2HO* G 43 -16.030 8.634 -0.573 190 H1* G 43 H1' G 43 -14.727 7.087 0.687 191 H8 G 43 H8 G 43 -14.217 3.864 -1.346 192 H1 G 43 H1 G 43 -9.400 8.069 -1.976 193 1H2 G 43 1H2 G 43 -9.862 9.933 -0.820 194 2H2 G 43 2H2 G 43 -11.343 10.123 0.091 195 H3T G 43 HO3' G 43 -18.488 6.581 -1.107
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