NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
547346 | 2lwk | 18633 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H5' G 1 H5' G 1 -12.779 24.282 -2.995 2 H5'' G 1 H5'' G 1 -13.137 22.548 -3.169 3 H4' G 1 H4' G 1 -12.475 23.527 -5.336 4 H3' G 1 H3' G 1 -10.444 21.740 -3.942 5 H2' G 1 H2' G 1 -9.026 21.922 -5.811 6 HO2' G 1 HO2' G 1 -11.212 23.119 -7.207 7 H1' G 1 H1' G 1 -9.535 24.595 -6.333 8 H8 G 1 H8 G 1 -8.941 23.874 -2.632 9 H1 G 1 H1 G 1 -3.564 24.025 -6.117 10 H21 G 1 HN' G 1 -4.039 24.201 -8.253 11 H22 G 1 HN'' G 1 -5.686 24.266 -8.851 12 HO5' G 1 H5T G 1 -11.076 23.836 -1.801 13 H5' A 2 H5' A 2 -10.664 20.430 -7.847 14 H5'' A 2 H5'' A 2 -10.796 18.666 -7.991 15 H4' A 2 H4' A 2 -8.940 19.490 -9.402 16 H3' A 2 H3' A 2 -8.106 18.004 -6.871 17 H2' A 2 H2' A 2 -5.877 18.142 -7.556 18 HO2' A 2 HO2' A 2 -5.362 17.970 -9.603 19 H1' A 2 H1' A 2 -6.094 20.691 -8.690 20 H8 A 2 H8 A 2 -7.555 20.349 -5.169 21 H61 A 2 HN' A 2 -1.767 20.998 -3.073 22 H62 A 2 HN'' A 2 -3.456 20.886 -2.630 23 H2 A 2 H2 A 2 -1.602 20.683 -7.542 24 H5' G 3 H5' G 3 -6.164 16.348 -10.117 25 H5'' G 3 H5'' G 3 -6.081 14.577 -10.070 26 H4' G 3 H4' G 3 -3.834 15.497 -10.478 27 H3' G 3 H3' G 3 -4.286 14.329 -7.688 28 H2' G 3 H2' G 3 -2.006 14.651 -7.244 29 HO2' G 3 HO2' G 3 -0.556 15.235 -9.009 30 H1' G 3 H1' G 3 -1.794 17.064 -8.639 31 H8 G 3 H8 G 3 -4.781 16.844 -6.262 32 H1 G 3 H1 G 3 0.768 18.159 -3.336 33 H21 G 3 HN' G 3 2.439 17.994 -4.752 34 H22 G 3 HN'' G 3 2.214 17.549 -6.429 35 H5' U 4 H5' U 4 -0.941 12.615 -9.213 36 H5'' U 4 H5'' U 4 -0.762 10.892 -8.834 37 H4' U 4 H4' U 4 1.268 12.089 -8.144 38 H3' U 4 H3' U 4 -0.548 11.153 -5.875 39 H2' U 4 H2' U 4 1.144 11.796 -4.370 40 HO2' U 4 HO2' U 4 2.810 11.895 -6.688 41 H1' U 4 H1' U 4 1.817 14.130 -5.716 42 H3 U 4 H3 U 4 0.123 15.243 -1.638 43 H5 U 4 H5 U 4 -3.231 13.964 -3.845 44 H6 U 4 H6 U 4 -1.731 13.347 -5.646 45 H5' A 5 H5' A 5 3.329 9.605 -5.326 46 H5'' A 5 H5'' A 5 3.305 7.945 -4.705 47 H4' A 5 H4' A 5 4.798 9.308 -3.311 48 H3' A 5 H3' A 5 2.118 8.632 -2.062 49 H2' A 5 H2' A 5 2.944 9.482 -0.033 50 HO2' A 5 HO2' A 5 5.508 10.097 -0.891 51 H1' A 5 H1' A 5 4.267 11.637 -1.223 52 H8 A 5 H8 A 5 0.706 10.984 -2.501 53 H61 A 5 HN' A 5 -1.316 14.135 2.400 54 H62 A 5 HN'' A 5 -1.755 13.343 0.904 55 H2 A 5 H2 A 5 3.129 13.631 2.823 56 H5' G 6 H5' G 6 5.236 7.357 0.332 57 H5'' G 6 H5'' G 6 4.947 5.795 1.118 58 H4' G 6 H4' G 6 5.627 7.474 2.795 59 H3' G 6 H3' G 6 2.701 6.637 2.891 60 H2' G 6 H2' G 6 2.420 7.926 4.808 61 HO2' G 6 HO2' G 6 5.261 8.121 5.068 62 H1' G 6 H1' G 6 4.293 9.920 4.069 63 H8 G 6 H8 G 6 1.514 9.129 1.554 64 H1 G 6 H1 G 6 -0.344 12.956 6.350 65 H21 G 6 HN' G 6 1.248 13.134 7.852 66 H22 G 6 HN'' G 6 2.783 12.308 7.701 67 H5' A 7 H5' A 7 4.295 6.418 6.557 68 H5'' A 7 H5'' A 7 3.843 4.996 7.517 69 H4' A 7 H4' A 7 3.404 7.085 8.783 70 H3' A 7 H3' A 7 0.936 5.523 7.836 71 H2' A 7 H2' A 7 -0.402 7.064 9.004 72 HO2' A 7 HO2' A 7 1.527 8.564 10.234 73 H1' A 7 H1' A 7 1.188 9.299 8.461 74 H8 A 7 H8 A 7 0.373 7.197 5.370 75 H61 A 7 HN' A 7 -4.807 10.543 4.953 76 H62 A 7 HN'' A 7 -3.780 9.364 4.168 77 H2 A 7 H2 A 7 -2.844 11.507 8.871 78 H5' A 8 H5' A 8 0.349 6.256 11.808 79 H5'' A 8 H5'' A 8 -0.324 4.897 12.722 80 H4' A 8 H4' A 8 -1.734 6.839 13.108 81 H3' A 8 H3' A 8 -2.944 4.726 11.267 82 H2' A 8 H2' A 8 -4.897 6.027 11.239 83 HO2' A 8 HO2' A 8 -3.956 6.815 13.732 84 H1' A 8 H1' A 8 -3.629 8.533 11.397 85 H8 A 8 H8 A 8 -2.330 6.262 8.606 86 H61 A 8 HN' A 8 -7.014 8.421 5.191 87 H62 A 8 HN'' A 8 -5.558 7.451 5.195 88 H2 A 8 H2 A 8 -7.536 9.931 9.381 89 H5' A 9 H5' A 9 -5.608 5.531 14.435 90 H5'' A 9 H5'' A 9 -6.420 4.077 15.048 91 H4' A 9 H4' A 9 -8.106 5.791 14.541 92 H3' A 9 H3' A 9 -8.045 3.463 12.542 93 H2' A 9 H2' A 9 -9.871 4.420 11.443 94 HO2' A 9 HO2' A 9 -10.763 6.425 12.783 95 H1' A 9 H1' A 9 -9.155 7.093 11.919 96 H8 A 9 H8 A 9 -6.453 4.833 10.409 97 H61 A 9 HN' A 9 -8.990 6.099 4.919 98 H62 A 9 HN'' A 9 -7.654 5.336 5.751 99 H2 A 9 H2 A 9 -11.628 7.843 8.101 100 H5' C 10 H5' C 10 -11.951 3.989 13.728 101 H5'' C 10 H5'' C 10 -12.822 2.468 14.000 102 H4' C 10 H4' C 10 -14.095 3.938 12.461 103 H3' C 10 H3' C 10 -12.833 1.479 11.140 104 H2' C 10 H2' C 10 -13.914 2.062 9.152 105 HO2' C 10 HO2' C 10 -15.945 2.596 9.382 106 H1' C 10 H1' C 10 -13.769 4.852 9.586 107 H41 C 10 HN' C 10 -9.888 3.153 4.791 108 H42 C 10 HN'' C 10 -8.738 2.512 5.944 109 H5 C 10 H5 C 10 -9.143 2.431 8.308 110 H6 C 10 H6 C 10 -10.741 2.933 10.092 111 H5' A 11 H5' A 11 -17.345 1.524 10.982 112 H5'' A 11 H5'' A 11 -17.948 -0.134 11.196 113 H4' A 11 H4' A 11 -19.183 0.970 9.372 114 H3' A 11 H3' A 11 -17.197 -1.165 8.471 115 H2' A 11 H2' A 11 -17.929 -0.849 6.265 116 HO2' A 11 HO2' A 11 -19.887 0.579 5.981 117 H1' A 11 H1' A 11 -18.341 1.912 6.486 118 H8 A 11 H8 A 11 -14.931 0.733 7.756 119 H61 A 11 HN' A 11 -13.098 0.899 1.847 120 H62 A 11 HN'' A 11 -12.590 0.692 3.508 121 H2 A 11 H2 A 11 -17.527 1.583 1.950 122 H5' A 12 H5' A 12 -20.871 -1.748 6.645 123 H5'' A 12 H5'' A 12 -21.402 -3.442 6.579 124 H4' A 12 H4' A 12 -21.528 -2.389 4.330 125 H3' A 12 H3' A 12 -19.329 -4.502 4.657 126 H2' A 12 H2' A 12 -18.804 -4.232 2.392 127 HO2' A 12 HO2' A 12 -21.479 -3.571 2.237 128 H1' A 12 H1' A 12 -19.354 -1.484 2.292 129 H8 A 12 H8 A 12 -17.023 -2.563 5.132 130 H61 A 12 HN' A 12 -12.468 -2.387 0.946 131 H62 A 12 HN'' A 12 -12.862 -2.575 2.640 132 H2 A 12 H2 A 12 -16.359 -1.795 -1.203 133 H5' G 13 H5' G 13 -21.599 -5.313 1.223 134 H5'' G 13 H5'' G 13 -21.907 -7.039 0.961 135 H4' G 13 H4' G 13 -21.016 -6.021 -1.105 136 H3' G 13 H3' G 13 -19.071 -7.848 0.369 137 H2' G 13 H2' G 13 -17.583 -7.612 -1.430 138 HO2' G 13 HO2' G 13 -19.269 -6.144 -3.088 139 H1' G 13 H1' G 13 -18.181 -4.918 -1.914 140 H8 G 13 H8 G 13 -17.531 -5.805 1.740 141 H1 G 13 H1 G 13 -12.168 -5.175 -1.711 142 H21 G 13 HN' G 13 -12.641 -4.952 -3.837 143 H22 G 13 HN'' G 13 -14.281 -4.956 -4.447 144 H5' G 14 H5' G 14 -19.265 -8.996 -3.577 145 H5'' G 14 H5'' G 14 -19.330 -10.751 -3.811 146 H4' G 14 H4' G 14 -17.562 -9.800 -5.233 147 H3' G 14 H3' G 14 -16.598 -11.370 -2.800 148 H2' G 14 H2' G 14 -14.403 -11.146 -3.583 149 HO2' G 14 HO2' G 14 -15.638 -11.150 -6.004 150 H1' G 14 H1' G 14 -14.725 -8.550 -4.580 151 H8 G 14 H8 G 14 -16.048 -9.104 -1.038 152 H1 G 14 H1 G 14 -9.688 -8.367 -1.298 153 H21 G 14 HN' G 14 -9.002 -8.311 -3.376 154 H22 G 14 HN'' G 14 -10.092 -8.464 -4.737 155 H5' C 15 H5' C 15 -14.719 -12.940 -6.160 156 H5'' C 15 H5'' C 15 -14.677 -14.711 -6.160 157 H4' C 15 H4' C 15 -12.421 -13.864 -6.598 158 H3' C 15 H3' C 15 -12.864 -15.021 -3.807 159 H2' C 15 H2' C 15 -10.561 -14.787 -3.416 160 HO2' C 15 HO2' C 15 -9.160 -15.052 -4.974 161 H1' C 15 H1' C 15 -10.293 -12.369 -4.787 162 H41 C 15 HN' C 15 -10.151 -11.485 1.539 163 H42 C 15 HN'' C 15 -11.892 -11.648 1.614 164 H5 C 15 H5 C 15 -13.253 -12.161 -0.296 165 H6 C 15 H6 C 15 -13.248 -12.656 -2.694 166 H5' U 16 H5' U 16 -9.567 -16.964 -5.274 167 H5'' U 16 H5'' U 16 -9.574 -18.704 -4.935 168 H4' U 16 H4' U 16 -7.457 -17.733 -4.144 169 H3' U 16 H3' U 16 -9.446 -18.501 -1.963 170 H2' U 16 H2' U 16 -7.861 -17.927 -0.345 171 HO2' U 16 HO2' U 16 -5.615 -17.366 -1.449 172 H1' U 16 H1' U 16 -6.721 -15.795 -1.778 173 H3 U 16 H3 U 16 -8.209 -14.269 2.257 174 H5 U 16 H5 U 16 -11.722 -15.019 0.053 175 H6 U 16 H6 U 16 -10.342 -15.948 -1.709 176 H5' U 17 H5' U 17 -6.881 -23.161 -1.041 177 H5'' U 17 H5'' U 17 -7.524 -22.783 0.572 178 H4' U 17 H4' U 17 -5.152 -23.399 0.799 179 H3' U 17 H3' U 17 -6.303 -21.161 1.860 180 H2' U 17 H2' U 17 -5.656 -19.572 0.272 181 HO2' U 17 HO2' U 17 -4.332 -18.440 1.447 182 H1' U 17 H1' U 17 -2.969 -20.773 -0.248 183 H3 U 17 H3 U 17 -2.986 -17.313 -3.209 184 H5 U 17 H5 U 17 -5.964 -19.950 -4.598 185 H6 U 17 H6 U 17 -5.723 -21.208 -2.537 186 H5' C 18 H5' C 18 -3.002 -19.553 2.879 187 H5'' C 18 H5'' C 18 -2.614 -19.556 4.610 188 H4' C 18 H4' C 18 -2.661 -17.235 3.657 189 H3' C 18 H3' C 18 -3.650 -18.128 6.029 190 H2' C 18 H2' C 18 -5.938 -18.161 5.486 191 HO2' C 18 HO2' C 18 -6.825 -16.080 6.049 192 H1' C 18 H1' C 18 -5.653 -15.730 3.734 193 H41 C 18 HN' C 18 -11.480 -17.615 2.113 194 H42 C 18 HN'' C 18 -10.806 -19.034 1.340 195 H5 C 18 H5 C 18 -8.488 -19.642 1.490 196 H6 C 18 H6 C 18 -6.295 -19.012 2.385 197 H5' G 19 H5' G 19 -0.637 -16.349 6.144 198 H5'' G 19 H5'' G 19 0.016 -15.565 7.593 199 H4' G 19 H4' G 19 1.448 -14.421 6.272 200 H3' G 19 H3' G 19 -1.201 -13.288 5.360 201 H2' G 19 H2' G 19 -0.300 -12.508 3.396 202 HO2' G 19 HO2' G 19 1.344 -11.213 3.594 203 H1' G 19 H1' G 19 2.061 -14.177 3.382 204 H8 G 19 H8 G 19 2.056 -15.108 0.992 205 H1 G 19 H1 G 19 -4.317 -14.702 0.499 206 H21 G 19 HN' G 19 -5.204 -14.066 2.405 207 H22 G 19 HN'' G 19 -4.241 -13.721 3.825 208 H5' G 20 H5' G 20 -0.069 -8.278 4.147 209 H5'' G 20 H5'' G 20 -1.543 -9.196 4.521 210 H4' G 20 H4' G 20 0.381 -9.941 2.275 211 H3' G 20 H3' G 20 -2.021 -8.078 2.391 212 H2' G 20 H2' G 20 -2.865 -8.930 0.392 213 HO2' G 20 HO2' G 20 -1.474 -10.375 -0.914 214 H1' G 20 H1' G 20 -2.187 -11.579 0.752 215 H8 G 20 H8 G 20 -3.651 -9.936 3.882 216 H1 G 20 H1 G 20 -8.068 -11.822 -0.362 217 H21 G 20 HN' G 20 -7.112 -12.467 -2.228 218 H22 G 20 HN'' G 20 -5.377 -12.438 -2.459 219 H5' C 21 H5' C 21 -0.648 -7.774 -1.449 220 H5'' C 21 H5'' C 21 -0.470 -6.092 -1.981 221 H4' C 21 H4' C 21 -1.838 -7.320 -3.615 222 H3' C 21 H3' C 21 -3.300 -5.357 -1.806 223 H2' C 21 H2' C 21 -5.289 -5.765 -2.940 224 HO2' C 21 HO2' C 21 -4.942 -7.190 -5.010 225 H1' C 21 H1' C 21 -4.767 -8.479 -3.497 226 H41 C 21 HN' C 21 -9.402 -7.877 0.878 227 H42 C 21 HN'' C 21 -8.210 -7.492 2.100 228 H5 C 21 H5 C 21 -5.868 -7.261 1.634 229 H6 C 21 H6 C 21 -4.145 -7.334 -0.105 230 H5' C 22 H5' C 22 -4.375 -4.455 -5.696 231 H5'' C 22 H5'' C 22 -4.367 -2.715 -6.027 232 H4' C 22 H4' C 22 -6.516 -3.655 -6.736 233 H3' C 22 H3' C 22 -6.528 -1.900 -4.235 234 H2' C 22 H2' C 22 -8.813 -2.177 -4.017 235 HO2' C 22 HO2' C 22 -10.037 -3.006 -5.928 236 H1' C 22 H1' C 22 -8.984 -4.742 -5.226 237 H41 C 22 HN' C 22 -10.570 -5.248 0.926 238 H42 C 22 HN'' C 22 -8.897 -5.036 1.394 239 H5 C 22 H5 C 22 -7.136 -4.581 -0.173 240 H6 C 22 H6 C 22 -6.586 -4.215 -2.531 241 H5' U 23 H5' U 23 -9.583 -0.602 -6.309 242 H5'' U 23 H5'' U 23 -9.538 1.133 -6.673 243 H4' U 23 H4' U 23 -11.736 0.506 -5.721 244 H3' U 23 H3' U 23 -9.853 2.203 -4.006 245 H2' U 23 H2' U 23 -11.536 2.382 -2.380 246 HO2' U 23 HO2' U 23 -13.709 1.667 -2.870 247 H1' U 23 H1' U 23 -12.499 -0.209 -2.628 248 H3 U 23 H3 U 23 -10.781 0.574 1.563 249 H5 U 23 H5 U 23 -7.431 -0.125 -0.896 250 H6 U 23 H6 U 23 -8.919 -0.140 -2.810 251 H5' G 24 H5' G 24 -13.682 4.231 -4.719 252 H5'' G 24 H5'' G 24 -13.484 5.987 -4.909 253 H4' G 24 H4' G 24 -15.279 5.490 -3.279 254 H3' G 24 H3' G 24 -12.720 6.687 -2.104 255 H2' G 24 H2' G 24 -13.811 6.756 -0.013 256 HO2' G 24 HO2' G 24 -16.094 6.706 -1.618 257 H1' G 24 H1' G 24 -15.062 4.308 -0.243 258 H8 G 24 H8 G 24 -11.421 4.311 -1.437 259 H1 G 24 H1 G 24 -12.107 4.040 4.931 260 H21 G 24 HN' G 24 -14.230 4.296 5.476 261 H22 G 24 HN'' G 24 -15.483 4.546 4.281 262 H5' C 25 H5' C 25 -15.972 8.736 -0.664 263 H5'' C 25 H5'' C 25 -15.768 10.501 -0.627 264 H4' C 25 H4' C 25 -16.503 9.675 1.585 265 H3' C 25 H3' C 25 -13.615 10.686 1.428 266 H2' C 25 H2' C 25 -13.478 10.404 3.757 267 HO2' C 25 HO2' C 25 -15.174 10.734 4.974 268 H1' C 25 H1' C 25 -14.857 8.004 3.844 269 H41 C 25 HN' C 25 -8.565 6.891 4.051 270 H42 C 25 HN'' C 25 -8.452 7.119 2.320 271 H5 C 25 H5 C 25 -10.317 7.769 0.950 272 H6 C 25 H6 C 25 -12.694 8.364 0.937 273 H5' U 26 H5' U 26 -15.387 12.566 4.517 274 H5'' U 26 H5'' U 26 -14.979 14.285 4.645 275 H4' U 26 H4' U 26 -14.544 13.185 6.797 276 H3' U 26 H3' U 26 -12.085 13.999 5.193 277 H2' U 26 H2' U 26 -10.760 13.386 7.020 278 HO2' U 26 HO2' U 26 -13.005 12.924 8.682 279 H1' U 26 H1' U 26 -12.237 11.131 7.709 280 H3 U 26 H3 U 26 -8.051 9.806 6.513 281 H5 U 26 H5 U 26 -9.846 10.955 2.878 282 H6 U 26 H6 U 26 -11.776 11.706 4.142 283 H5' U 27 H5' U 27 -11.778 15.452 8.949 284 H5'' U 27 H5'' U 27 -11.127 17.096 9.061 285 H4' U 27 H4' U 27 -9.861 15.616 10.552 286 H3' U 27 H3' U 27 -8.375 16.551 8.044 287 H2' U 27 H2' U 27 -6.447 15.543 8.923 288 HO2' U 27 HO2' U 27 -7.846 15.234 11.400 289 H1' U 27 H1' U 27 -7.742 13.319 9.992 290 H3 U 27 H3 U 27 -4.823 11.862 6.827 291 H5 U 27 H5 U 27 -7.951 13.625 4.624 292 H6 U 27 H6 U 27 -8.926 14.364 6.719 293 H5' U 28 H5' U 28 -6.060 17.479 11.276 294 H5'' U 28 H5'' U 28 -5.186 19.014 11.123 295 H4' U 28 H4' U 28 -3.587 17.209 11.598 296 H3' U 28 H3' U 28 -3.532 18.298 8.751 297 H2' U 28 H2' U 28 -1.611 16.999 8.379 298 HO2' U 28 HO2' U 28 -1.490 16.168 11.082 299 H1' U 28 H1' U 28 -2.523 14.774 9.763 300 H3 U 28 H3 U 28 -2.066 13.707 5.353 301 H5 U 28 H5 U 28 -5.451 16.214 5.471 302 H6 U 28 H6 U 28 -5.029 16.567 7.832 303 H5' U 29 H5' U 29 0.259 18.603 10.575 304 H5'' U 29 H5'' U 29 1.120 20.082 10.114 305 H4' U 29 H4' U 29 2.614 18.172 9.801 306 H3' U 29 H3' U 29 1.526 19.403 7.232 307 H2' U 29 H2' U 29 2.988 18.008 6.046 308 HO2' U 29 HO2' U 29 4.200 17.158 8.482 309 H1' U 29 H1' U 29 2.586 15.767 7.630 310 H3 U 29 H3 U 29 0.969 14.918 3.452 311 H5 U 29 H5 U 29 -1.815 17.610 5.111 312 H6 U 29 H6 U 29 -0.367 17.815 7.047 313 H5' G 30 H5' G 30 5.569 19.307 7.018 314 H5'' G 30 H5'' G 30 6.285 20.771 6.325 315 H4' G 30 H4' G 30 7.142 18.824 5.121 316 H3' G 30 H3' G 30 5.117 20.533 3.591 317 H2' G 30 H2' G 30 5.511 19.190 1.715 318 HO2' G 30 HO2' G 30 7.772 18.027 3.007 319 H1' G 30 H1' G 30 5.901 16.794 3.136 320 H8 G 30 H8 G 30 2.706 18.650 4.075 321 H1 G 30 H1 G 30 2.244 15.279 -1.357 322 H21 G 30 HN' G 30 4.212 14.515 -1.955 323 H22 G 30 HN'' G 30 5.666 14.829 -1.033 324 H5' C 31 H5' C 31 8.345 20.157 1.150 325 H5'' C 31 H5'' C 31 8.768 21.651 0.296 326 H4' C 31 H4' C 31 8.497 19.840 -1.337 327 H3' C 31 H3' C 31 6.272 21.929 -1.296 328 H2' C 31 H2' C 31 5.310 20.884 -3.151 329 HO2' C 31 HO2' C 31 6.704 19.068 -4.127 330 H1' C 31 H1' C 31 5.978 18.267 -2.405 331 H41 C 31 HN' C 31 -0.274 19.288 -1.529 332 H42 C 31 HN'' C 31 0.072 20.155 -0.048 333 H5 C 31 H5 C 31 2.295 20.613 0.724 334 H6 C 31 H6 C 31 4.681 20.360 0.249 335 H5' U 32 H5' U 32 7.514 21.533 -5.162 336 H5'' U 32 H5'' U 32 7.753 23.086 -5.982 337 H4' U 32 H4' U 32 6.353 21.633 -7.378 338 H3' U 32 H3' U 32 5.007 23.987 -6.003 339 HO3' U 32 H3T U 32 6.272 23.448 -8.433 340 H2' U 32 H2' U 32 2.970 23.446 -6.943 341 HO2' U 32 HO2' U 32 3.213 23.239 -9.056 342 H1' U 32 H1' U 32 3.390 20.648 -7.110 343 H3 U 32 H3 U 32 -0.539 21.221 -4.897 344 H5 U 32 H5 U 32 2.377 22.653 -2.214 345 H6 U 32 H6 U 32 4.041 22.330 -3.948 346 H7 0EC 101 H7 LIG 33 -9.352 -1.170 6.039 347 H10 0EC 101 H10 LIG 33 -8.116 -3.472 1.961 348 HN14 0EC 101 H14 LIG 33 -5.779 4.569 3.605 349 H12 0EC 101 H121 LIG 33 -5.673 2.909 5.659 350 H12A 0EC 101 H122 LIG 33 -7.046 1.798 5.801 351 H13 0EC 101 H131 LIG 33 -7.831 2.490 3.563 352 H13A 0EC 101 H132 LIG 33 -7.756 3.873 4.689 353 HN5 0EC 101 H52 LIG 33 -6.180 -1.644 0.588 354 H15 0EC 101 H152 LIG 33 -4.968 3.256 1.822 355 HN5A 0EC 101 H51 LIG 33 -6.031 -3.105 1.533 356 H15A 0EC 101 H151 LIG 33 -6.364 2.166 2.051 357 H16 0EC 101 H162 LIG 33 -4.114 2.569 4.050 358 H16A 0EC 101 H161 LIG 33 -4.302 1.176 2.972 359 H8A 0EC 101 H81 LIG 33 -11.413 -1.376 2.865 360 H8AA 0EC 101 H83 LIG 33 -12.876 -1.207 3.858 361 H8AB 0EC 101 H82 LIG 33 -11.382 -0.363 4.321 362 H9A 0EC 101 H91 LIG 33 -11.963 -3.891 3.545 363 H9AA 0EC 101 H93 LIG 33 -11.330 -3.901 1.886 364 H9AB 0EC 101 H92 LIG 33 -11.807 -5.429 2.671 Start of MODEL 2 1 H5' G 1 H5' G 1 -11.591 18.310 5.605 2 H5'' G 1 H5'' G 1 -11.101 20.018 5.690 3 H4' G 1 H4' G 1 -9.129 18.527 5.561 4 H3' G 1 H3' G 1 -9.840 20.133 3.071 5 H2' G 1 H2' G 1 -7.961 19.308 1.976 6 HO2' G 1 HO2' G 1 -6.132 18.998 3.008 7 H1' G 1 H1' G 1 -7.923 16.784 3.238 8 H8 G 1 H8 G 1 -11.157 17.937 1.502 9 H1 G 1 H1 G 1 -6.826 15.343 -2.446 10 H21 G 1 HN' G 1 -4.965 14.910 -1.365 11 H22 G 1 HN'' G 1 -4.758 15.269 0.338 12 HO5' G 1 H5T G 1 -12.252 20.333 3.991 13 H5' A 2 H5' A 2 -8.270 23.521 1.451 14 H5'' A 2 H5'' A 2 -8.518 21.827 0.985 15 H4' A 2 H4' A 2 -6.926 22.908 -0.571 16 H3' A 2 H3' A 2 -5.812 20.855 1.381 17 H2' A 2 H2' A 2 -3.699 21.071 0.415 18 HO2' A 2 HO2' A 2 -3.797 22.648 -1.618 19 H1' A 2 H1' A 2 -3.811 23.809 -0.018 20 H8 A 2 H8 A 2 -5.017 22.709 3.447 21 H61 A 2 HN' A 2 0.952 22.462 5.064 22 H62 A 2 HN'' A 2 -0.699 22.349 5.629 23 H2 A 2 H2 A 2 0.736 23.249 0.656 24 H5' G 3 H5' G 3 -4.443 19.943 -2.371 25 H5'' G 3 H5'' G 3 -4.520 18.213 -2.758 26 H4' G 3 H4' G 3 -2.253 19.064 -3.214 27 H3' G 3 H3' G 3 -2.515 17.265 -0.754 28 H2' G 3 H2' G 3 -0.182 17.319 -0.532 29 HO2' G 3 HO2' G 3 0.583 18.725 -2.711 30 H1' G 3 H1' G 3 0.107 19.984 -1.336 31 H8 G 3 H8 G 3 -2.601 19.386 1.295 32 H1 G 3 H1 G 3 3.343 19.564 3.689 33 H21 G 3 HN' G 3 4.821 19.641 2.066 34 H22 G 3 HN'' G 3 4.367 19.637 0.376 35 H5' U 4 H5' U 4 0.471 15.805 -3.068 36 H5'' U 4 H5'' U 4 0.547 14.036 -3.155 37 H4' U 4 H4' U 4 2.736 14.922 -2.463 38 H3' U 4 H3' U 4 1.140 13.496 -0.287 39 H2' U 4 H2' U 4 3.038 13.653 1.088 40 HO2' U 4 HO2' U 4 4.773 14.834 -0.691 41 H1' U 4 H1' U 4 3.738 16.223 0.284 42 H3 U 4 H3 U 4 2.695 16.311 4.717 43 H5 U 4 H5 U 4 -1.017 15.836 2.780 44 H6 U 4 H6 U 4 0.177 15.634 0.680 45 H5' A 5 H5' A 5 4.953 11.729 -0.844 46 H5'' A 5 H5'' A 5 4.923 9.966 -0.666 47 H4' A 5 H4' A 5 6.735 10.894 0.711 48 H3' A 5 H3' A 5 4.302 9.923 2.240 49 H2' A 5 H2' A 5 5.544 10.209 4.214 50 HO2' A 5 HO2' A 5 7.909 11.038 3.647 51 H1' A 5 H1' A 5 6.707 12.610 3.412 52 H8 A 5 H8 A 5 2.953 12.262 2.661 53 H61 A 5 HN' A 5 1.934 14.030 8.482 54 H62 A 5 HN'' A 5 1.212 13.641 6.937 55 H2 A 5 H2 A 5 6.366 13.502 7.956 56 H5' G 6 H5' G 6 7.772 8.085 3.532 57 H5'' G 6 H5'' G 6 7.579 6.368 3.925 58 H4' G 6 H4' G 6 8.665 7.556 5.800 59 H3' G 6 H3' G 6 5.798 6.653 6.276 60 H2' G 6 H2' G 6 5.964 7.377 8.482 61 HO2' G 6 HO2' G 6 8.798 7.593 8.179 62 H1' G 6 H1' G 6 7.672 9.561 7.935 63 H8 G 6 H8 G 6 4.445 9.349 5.881 64 H1 G 6 H1 G 6 3.610 11.707 11.785 65 H21 G 6 HN' G 6 5.467 11.546 12.946 66 H22 G 6 HN'' G 6 6.932 10.850 12.290 67 H5' A 7 H5' A 7 8.121 5.540 9.321 68 H5'' A 7 H5'' A 7 7.861 3.904 9.956 69 H4' A 7 H4' A 7 7.750 5.589 11.779 70 H3' A 7 H3' A 7 5.124 4.190 11.026 71 H2' A 7 H2' A 7 4.086 5.328 12.802 72 HO2' A 7 HO2' A 7 5.336 6.403 14.419 73 H1' A 7 H1' A 7 5.506 7.712 12.507 74 H8 A 7 H8 A 7 4.073 6.384 9.219 75 H61 A 7 HN' A 7 -1.112 9.391 10.724 76 H62 A 7 HN'' A 7 -0.263 8.509 9.474 77 H2 A 7 H2 A 7 1.626 9.486 14.276 78 H5' A 8 H5' A 8 5.466 3.938 15.078 79 H5'' A 8 H5'' A 8 5.030 2.368 15.772 80 H4' A 8 H4' A 8 3.758 4.089 16.927 81 H3' A 8 H3' A 8 2.144 2.372 14.989 82 H2' A 8 H2' A 8 0.239 3.531 15.722 83 HO2' A 8 HO2' A 8 0.956 5.080 17.705 84 H1' A 8 H1' A 8 1.481 6.015 16.121 85 H8 A 8 H8 A 8 2.129 4.468 12.684 86 H61 A 8 HN' A 8 -3.256 6.978 10.962 87 H62 A 8 HN'' A 8 -1.824 6.127 10.427 88 H2 A 8 H2 A 8 -2.812 7.541 15.389 89 H5' A 9 H5' A 9 0.309 2.346 18.752 90 H5'' A 9 H5'' A 9 -0.331 0.756 19.214 91 H4' A 9 H4' A 9 -2.098 2.447 19.469 92 H3' A 9 H3' A 9 -2.489 0.559 17.081 93 H2' A 9 H2' A 9 -4.526 1.617 16.641 94 HO2' A 9 HO2' A 9 -4.568 3.132 18.997 95 H1' A 9 H1' A 9 -3.737 4.181 17.454 96 H8 A 9 H8 A 9 -1.423 2.398 14.976 97 H61 A 9 HN' A 9 -5.158 4.518 10.534 98 H62 A 9 HN'' A 9 -3.659 3.690 10.887 99 H2 A 9 H2 A 9 -7.027 5.485 14.496 100 H5' C 10 H5' C 10 -6.001 0.667 19.269 101 H5'' C 10 H5'' C 10 -6.784 -0.917 19.430 102 H4' C 10 H4' C 10 -8.398 0.772 18.599 103 H3' C 10 H3' C 10 -7.544 -1.316 16.527 104 H2' C 10 H2' C 10 -9.095 -0.390 15.045 105 HO2' C 10 HO2' C 10 -10.911 -0.318 16.349 106 H1' C 10 H1' C 10 -8.803 2.261 15.972 107 H41 C 10 HN' C 10 -6.271 1.674 10.126 108 H42 C 10 HN'' C 10 -4.880 0.858 10.805 109 H5 C 10 H5 C 10 -4.682 0.299 13.130 110 H6 C 10 H6 C 10 -5.773 0.385 15.318 111 H5' A 11 H5' A 11 -11.958 -1.413 17.593 112 H5'' A 11 H5'' A 11 -12.467 -3.115 17.661 113 H4' A 11 H4' A 11 -14.192 -1.783 16.514 114 H3' A 11 H3' A 11 -12.545 -3.598 14.697 115 H2' A 11 H2' A 11 -13.886 -2.940 12.890 116 HO2' A 11 HO2' A 11 -15.753 -1.418 14.193 117 H1' A 11 H1' A 11 -14.240 -0.293 13.732 118 H8 A 11 H8 A 11 -10.584 -1.351 13.761 119 H61 A 11 HN' A 11 -10.572 -0.255 7.671 120 H62 A 11 HN'' A 11 -9.591 -0.629 9.069 121 H2 A 11 H2 A 11 -14.805 0.009 9.124 122 H5' A 12 H5' A 12 -16.588 -4.071 13.927 123 H5'' A 12 H5'' A 12 -17.106 -5.755 13.688 124 H4' A 12 H4' A 12 -17.878 -4.313 11.812 125 H3' A 12 H3' A 12 -15.682 -6.328 11.094 126 H2' A 12 H2' A 12 -15.834 -5.618 8.868 127 HO2' A 12 HO2' A 12 -17.716 -5.155 8.037 128 H1' A 12 H1' A 12 -16.368 -2.931 9.453 129 H8 A 12 H8 A 12 -13.339 -4.393 11.280 130 H61 A 12 HN' A 12 -10.144 -3.255 6.104 131 H62 A 12 HN'' A 12 -10.047 -3.763 7.775 132 H2 A 12 H2 A 12 -14.479 -2.471 5.267 133 H5' G 13 H5' G 13 -18.834 -6.588 8.357 134 H5'' G 13 H5'' G 13 -19.217 -8.242 7.850 135 H4' G 13 H4' G 13 -18.941 -6.799 5.866 136 H3' G 13 H3' G 13 -16.686 -8.794 6.338 137 H2' G 13 H2' G 13 -15.763 -8.139 4.281 138 HO2' G 13 HO2' G 13 -18.403 -7.495 3.730 139 H1' G 13 H1' G 13 -16.392 -5.431 4.548 140 H8 G 13 H8 G 13 -14.835 -7.031 7.645 141 H1 G 13 H1 G 13 -10.545 -5.548 3.122 142 H21 G 13 HN' G 13 -11.550 -4.905 1.287 143 H22 G 13 HN'' G 13 -13.292 -4.831 1.138 144 H5' G 14 H5' G 14 -18.012 -9.136 2.452 145 H5'' G 14 H5'' G 14 -18.169 -10.811 1.895 146 H4' G 14 H4' G 14 -16.863 -9.525 0.256 147 H3' G 14 H3' G 14 -15.284 -11.511 1.952 148 H2' G 14 H2' G 14 -13.392 -11.048 0.650 149 HO2' G 14 HO2' G 14 -15.284 -10.028 -1.213 150 H1' G 14 H1' G 14 -13.906 -8.320 0.356 151 H8 G 14 H8 G 14 -14.265 -9.648 3.922 152 H1 G 14 H1 G 14 -8.183 -8.662 2.166 153 H21 G 14 HN' G 14 -8.066 -8.147 0.041 154 H22 G 14 HN'' G 14 -9.479 -8.046 -0.986 155 H5' C 15 H5' C 15 -14.433 -12.320 -2.030 156 H5'' C 15 H5'' C 15 -14.428 -14.054 -2.393 157 H4' C 15 H4' C 15 -12.354 -13.063 -3.239 158 H3' C 15 H3' C 15 -12.069 -14.761 -0.717 159 H2' C 15 H2' C 15 -9.738 -14.536 -0.906 160 HO2' C 15 HO2' C 15 -8.735 -14.199 -2.776 161 H1' C 15 H1' C 15 -9.784 -11.884 -1.766 162 H41 C 15 HN' C 15 -8.043 -12.307 4.367 163 H42 C 15 HN'' C 15 -9.713 -12.539 4.839 164 H5 C 15 H5 C 15 -11.519 -12.695 3.265 165 H6 C 15 H6 C 15 -12.125 -12.689 0.893 166 H5' U 16 H5' U 16 -9.306 -16.277 -3.320 167 H5'' U 16 H5'' U 16 -9.265 -18.049 -3.343 168 H4' U 16 H4' U 16 -6.998 -17.194 -2.927 169 H3' U 16 H3' U 16 -8.402 -18.434 -0.523 170 H2' U 16 H2' U 16 -6.453 -18.151 0.736 171 HO2' U 16 HO2' U 16 -4.536 -17.315 -0.734 172 H1' U 16 H1' U 16 -5.662 -15.739 -0.461 173 H3 U 16 H3 U 16 -6.116 -15.120 4.038 174 H5 U 16 H5 U 16 -10.066 -15.503 2.621 175 H6 U 16 H6 U 16 -9.163 -16.011 0.430 176 H5' U 17 H5' U 17 -5.785 -23.110 -1.174 177 H5'' U 17 H5'' U 17 -5.989 -23.056 0.590 178 H4' U 17 H4' U 17 -3.652 -23.638 0.091 179 H3' U 17 H3' U 17 -4.438 -21.680 1.807 180 H2' U 17 H2' U 17 -4.210 -19.799 0.440 181 HO2' U 17 HO2' U 17 -2.197 -18.849 0.818 182 H1' U 17 H1' U 17 -1.779 -20.764 -0.997 183 H3 U 17 H3 U 17 -2.613 -16.841 -3.153 184 H5 U 17 H5 U 17 -5.856 -19.340 -4.147 185 H6 U 17 H6 U 17 -5.057 -20.929 -2.497 186 H5' C 18 H5' C 18 -0.995 -20.159 2.271 187 H5'' C 18 H5'' C 18 -0.167 -20.513 3.800 188 H4' C 18 H4' C 18 -0.433 -18.052 3.444 189 H3' C 18 H3' C 18 -0.835 -19.492 5.719 190 H2' C 18 H2' C 18 -3.185 -19.497 5.745 191 HO2' C 18 HO2' C 18 -3.514 -16.990 6.592 192 H1' C 18 H1' C 18 -3.297 -16.731 4.560 193 H41 C 18 HN' C 18 -9.368 -18.450 3.995 194 H42 C 18 HN'' C 18 -8.919 -19.634 2.785 195 H5 C 18 H5 C 18 -6.642 -20.164 2.239 196 H6 C 18 H6 C 18 -4.290 -19.659 2.706 197 H5' G 19 H5' G 19 2.146 -17.744 5.623 198 H5'' G 19 H5'' G 19 3.138 -17.195 6.984 199 H4' G 19 H4' G 19 4.215 -15.796 5.575 200 H3' G 19 H3' G 19 1.438 -14.609 5.542 201 H2' G 19 H2' G 19 1.839 -13.484 3.580 202 HO2' G 19 HO2' G 19 4.637 -13.498 4.142 203 H1' G 19 H1' G 19 4.109 -15.048 2.707 204 H8 G 19 H8 G 19 3.508 -15.650 0.280 205 H1 G 19 H1 G 19 -2.780 -15.138 1.387 206 H21 G 19 HN' G 19 -3.166 -14.794 3.522 207 H22 G 19 HN'' G 19 -1.883 -14.672 4.705 208 H5' G 20 H5' G 20 2.422 -9.419 4.969 209 H5'' G 20 H5'' G 20 1.035 -10.395 5.495 210 H4' G 20 H4' G 20 2.378 -10.681 2.771 211 H3' G 20 H3' G 20 0.110 -8.930 3.788 212 H2' G 20 H2' G 20 -1.205 -9.418 1.928 213 HO2' G 20 HO2' G 20 0.405 -10.897 0.359 214 H1' G 20 H1' G 20 -0.530 -12.071 1.621 215 H8 G 20 H8 G 20 -1.131 -11.094 5.267 216 H1 G 20 H1 G 20 -6.515 -12.171 1.961 217 H21 G 20 HN' G 20 -6.068 -12.417 -0.172 218 H22 G 20 HN'' G 20 -4.443 -12.316 -0.814 219 H5' C 21 H5' C 21 0.514 -7.858 -0.137 220 H5'' C 21 H5'' C 21 0.610 -6.100 -0.352 221 H4' C 21 H4' C 21 -1.157 -6.993 -1.807 222 H3' C 21 H3' C 21 -2.045 -5.473 0.667 223 H2' C 21 H2' C 21 -4.272 -5.682 0.033 224 HO2' C 21 HO2' C 21 -3.794 -6.716 -2.519 225 H1' C 21 H1' C 21 -4.011 -8.212 -1.182 226 H41 C 21 HN' C 21 -7.329 -8.619 4.277 227 H42 C 21 HN'' C 21 -5.850 -8.462 5.198 228 H5 C 21 H5 C 21 -3.702 -8.091 4.196 229 H6 C 21 H6 C 21 -2.491 -7.771 2.091 230 H5' C 22 H5' C 22 -4.041 -3.860 -2.592 231 H5'' C 22 H5'' C 22 -4.058 -2.088 -2.578 232 H4' C 22 H4' C 22 -6.342 -2.903 -2.910 233 H3' C 22 H3' C 22 -5.680 -1.665 -0.200 234 H2' C 22 H2' C 22 -7.846 -2.014 0.527 235 HO2' C 22 HO2' C 22 -9.272 -2.703 -1.591 236 H1' C 22 H1' C 22 -8.405 -4.306 -1.048 237 H41 C 22 HN' C 22 -8.360 -6.008 5.091 238 H42 C 22 HN'' C 22 -6.620 -5.828 5.150 239 H5 C 22 H5 C 22 -5.311 -5.034 3.301 240 H6 C 22 H6 C 22 -5.377 -4.221 0.992 241 H5' U 23 H5' U 23 -9.108 -0.015 -1.181 242 H5'' U 23 H5'' U 23 -9.078 1.757 -1.214 243 H4' U 23 H4' U 23 -11.003 0.954 0.117 244 H3' U 23 H3' U 23 -8.684 2.290 1.597 245 H2' U 23 H2' U 23 -9.903 2.146 3.596 246 HO2' U 23 HO2' U 23 -12.233 1.202 2.328 247 H1' U 23 H1' U 23 -11.022 -0.348 3.113 248 H3 U 23 H3 U 23 -8.299 -0.407 6.814 249 H5 U 23 H5 U 23 -5.684 -0.588 3.514 250 H6 U 23 H6 U 23 -7.593 -0.230 2.063 251 H5' G 24 H5' G 24 -12.448 4.383 2.298 252 H5'' G 24 H5'' G 24 -12.240 6.146 2.393 253 H4' G 24 H4' G 24 -13.555 5.318 4.322 254 H3' G 24 H3' G 24 -10.739 6.325 4.967 255 H2' G 24 H2' G 24 -11.226 5.981 7.247 256 HO2' G 24 HO2' G 24 -13.834 5.153 7.019 257 H1' G 24 H1' G 24 -12.583 3.599 6.915 258 H8 G 24 H8 G 24 -9.388 3.868 4.821 259 H1 G 24 H1 G 24 -8.380 2.435 10.988 260 H21 G 24 HN' G 24 -10.273 2.562 12.114 261 H22 G 24 HN'' G 24 -11.786 3.010 11.359 262 H5' C 25 H5' C 25 -13.468 7.986 7.550 263 H5'' C 25 H5'' C 25 -13.222 9.716 7.877 264 H4' C 25 H4' C 25 -13.401 8.444 9.996 265 H3' C 25 H3' C 25 -10.634 9.583 9.342 266 H2' C 25 H2' C 25 -9.928 8.856 11.461 267 HO2' C 25 HO2' C 25 -12.543 8.056 12.202 268 H1' C 25 H1' C 25 -11.270 6.433 11.407 269 H41 C 25 HN' C 25 -5.132 5.539 9.858 270 H42 C 25 HN'' C 25 -5.444 6.104 8.232 271 H5 C 25 H5 C 25 -7.581 6.935 7.511 272 H6 C 25 H6 C 25 -9.882 7.431 8.192 273 H5' U 26 H5' U 26 -11.615 10.704 13.075 274 H5'' U 26 H5'' U 26 -11.181 12.374 13.478 275 H4' U 26 H4' U 26 -10.269 10.849 15.181 276 H3' U 26 H3' U 26 -8.239 12.137 13.305 277 H2' U 26 H2' U 26 -6.536 11.209 14.608 278 HO2' U 26 HO2' U 26 -7.760 9.975 16.615 279 H1' U 26 H1' U 26 -7.814 8.781 15.081 280 H3 U 26 H3 U 26 -3.985 7.986 12.749 281 H5 U 26 H5 U 26 -6.561 9.769 9.931 282 H6 U 26 H6 U 26 -8.164 10.123 11.717 283 H5' U 27 H5' U 27 -7.123 12.720 17.129 284 H5'' U 27 H5'' U 27 -6.482 14.332 17.490 285 H4' U 27 H4' U 27 -4.904 12.629 18.285 286 H3' U 27 H3' U 27 -4.014 14.226 15.832 287 H2' U 27 H2' U 27 -1.931 13.164 16.007 288 HO2' U 27 HO2' U 27 -2.656 12.008 18.502 289 H1' U 27 H1' U 27 -2.927 10.669 16.746 290 H3 U 27 H3 U 27 -0.762 10.210 12.774 291 H5 U 27 H5 U 27 -4.334 12.215 11.789 292 H6 U 27 H6 U 27 -4.827 12.369 14.158 293 H5' U 28 H5' U 28 -1.097 14.473 18.688 294 H5'' U 28 H5'' U 28 -0.278 16.044 18.765 295 H4' U 28 H4' U 28 1.391 14.262 18.467 296 H3' U 28 H3' U 28 0.908 16.045 16.045 297 H2' U 28 H2' U 28 2.716 14.978 14.998 298 HO2' U 28 HO2' U 28 3.313 13.883 17.573 299 H1' U 28 H1' U 28 2.093 12.428 15.893 300 H3 U 28 H3 U 28 1.687 12.559 11.353 301 H5 U 28 H5 U 28 -1.615 14.768 12.756 302 H6 U 28 H6 U 28 -0.743 14.523 15.005 303 H5' U 29 H5' U 29 4.948 15.978 17.177 304 H5'' U 29 H5'' U 29 5.752 17.546 16.989 305 H4' U 29 H4' U 29 7.116 15.821 15.915 306 H3' U 29 H3' U 29 5.657 17.706 14.015 307 H2' U 29 H2' U 29 6.842 16.713 12.257 308 HO2' U 29 HO2' U 29 8.584 15.951 14.324 309 H1' U 29 H1' U 29 6.623 14.114 13.186 310 H3 U 29 H3 U 29 4.257 14.479 9.307 311 H5 U 29 H5 U 29 1.933 16.566 12.135 312 H6 U 29 H6 U 29 3.706 16.220 13.753 313 H5' G 30 H5' G 30 9.618 17.681 13.144 314 H5'' G 30 H5'' G 30 10.288 19.276 12.765 315 H4' G 30 H4' G 30 10.869 17.721 10.969 316 H3' G 30 H3' G 30 8.740 19.805 10.281 317 H2' G 30 H2' G 30 8.785 19.018 8.078 318 HO2' G 30 HO2' G 30 10.520 18.006 7.199 319 H1' G 30 H1' G 30 9.234 16.320 8.720 320 H8 G 30 H8 G 30 6.337 17.920 10.621 321 H1 G 30 H1 G 30 4.854 16.132 4.648 322 H21 G 30 HN' G 30 6.659 15.512 3.563 323 H22 G 30 HN'' G 30 8.251 15.536 4.288 324 H5' C 31 H5' C 31 11.585 20.035 7.382 325 H5'' C 31 H5'' C 31 11.980 21.694 6.898 326 H4' C 31 H4' C 31 11.393 20.388 4.903 327 H3' C 31 H3' C 31 9.327 22.448 5.804 328 H2' C 31 H2' C 31 8.067 21.962 3.897 329 HO2' C 31 HO2' C 31 10.537 20.995 2.913 330 H1' C 31 H1' C 31 8.651 19.224 3.833 331 H41 C 31 HN' C 31 2.658 20.152 5.861 332 H42 C 31 HN'' C 31 3.258 20.590 7.446 333 H5 C 31 H5 C 31 5.590 20.769 7.971 334 H6 C 31 H6 C 31 7.868 20.581 7.099 335 H5' U 32 H5' U 32 10.027 23.069 1.835 336 H5'' U 32 H5'' U 32 10.260 24.777 1.425 337 H4' U 32 H4' U 32 8.595 23.789 -0.086 338 H3' U 32 H3' U 32 7.604 25.735 2.030 339 HO3' U 32 H3T U 32 8.749 25.895 -0.411 340 H2' U 32 H2' U 32 5.429 25.526 1.290 341 HO2' U 32 HO2' U 32 5.682 25.994 -0.864 342 H1' U 32 H1' U 32 5.639 22.865 0.330 343 H3 U 32 H3 U 32 2.062 22.937 3.136 344 H5 U 32 H5 U 32 5.380 23.495 5.673 345 H6 U 32 H6 U 32 6.789 23.605 3.703 346 H7 0EC 101 H7 LIG 33 -5.917 -2.555 10.277 347 H10 0EC 101 H10 LIG 33 -5.726 -4.339 5.745 348 HN14 0EC 101 H14 LIG 33 -2.604 3.263 8.100 349 H12 0EC 101 H121 LIG 33 -2.050 1.236 9.710 350 H12A 0EC 101 H122 LIG 33 -3.397 0.124 10.009 351 H13 0EC 101 H131 LIG 33 -4.713 1.247 8.249 352 H13A 0EC 101 H132 LIG 33 -4.251 2.385 9.544 353 HN5 0EC 101 H52 LIG 33 -4.312 -2.352 4.259 354 H15 0EC 101 H152 LIG 33 -2.390 2.313 5.952 355 HN5A 0EC 101 H51 LIG 33 -3.630 -3.858 4.819 356 H15A 0EC 101 H151 LIG 33 -3.731 1.207 6.359 357 H16 0EC 101 H162 LIG 33 -1.003 1.209 7.692 358 H16A 0EC 101 H161 LIG 33 -1.556 0.050 6.470 359 H8A 0EC 101 H81 LIG 33 -8.577 -2.587 7.809 360 H8AA 0EC 101 H83 LIG 33 -9.725 -2.596 9.163 361 H8AB 0EC 101 H82 LIG 33 -8.159 -1.770 9.327 362 H9A 0EC 101 H91 LIG 33 -9.066 -6.531 7.127 363 H9AA 0EC 101 H93 LIG 33 -8.964 -5.151 8.238 364 H9AB 0EC 101 H92 LIG 33 -8.805 -4.899 6.481 Start of MODEL 3 1 H5' G 1 H5' G 1 -10.827 18.241 3.571 2 H5'' G 1 H5'' G 1 -10.319 19.942 3.684 3 H4' G 1 H4' G 1 -8.397 18.413 3.990 4 H3' G 1 H3' G 1 -8.580 19.922 1.347 5 H2' G 1 H2' G 1 -6.541 19.021 0.674 6 HO2' G 1 HO2' G 1 -4.973 18.456 2.071 7 H1' G 1 H1' G 1 -6.819 16.550 2.003 8 H8 G 1 H8 G 1 -9.633 17.699 -0.354 9 H1 G 1 H1 G 1 -4.702 14.873 -3.317 10 H21 G 1 HN' G 1 -3.091 14.446 -1.888 11 H22 G 1 HN'' G 1 -3.202 14.866 -0.189 12 HO5' G 1 H5T G 1 -11.495 18.608 1.625 13 H5' A 2 H5' A 2 -6.578 23.229 -0.056 14 H5'' A 2 H5'' A 2 -6.795 21.531 -0.525 15 H4' A 2 H4' A 2 -4.874 22.504 -1.743 16 H3' A 2 H3' A 2 -4.265 20.481 0.449 17 H2' A 2 H2' A 2 -1.991 20.593 -0.070 18 HO2' A 2 HO2' A 2 -1.210 21.276 -2.014 19 H1' A 2 H1' A 2 -1.905 23.318 -0.576 20 H8 A 2 H8 A 2 -3.848 22.367 2.585 21 H61 A 2 HN' A 2 1.641 21.962 5.417 22 H62 A 2 HN'' A 2 -0.095 21.922 5.627 23 H2 A 2 H2 A 2 2.377 22.620 1.044 24 H5' G 3 H5' G 3 -2.201 19.391 -2.927 25 H5'' G 3 H5'' G 3 -2.268 17.652 -3.272 26 H4' G 3 H4' G 3 0.076 18.409 -3.290 27 H3' G 3 H3' G 3 -0.742 16.706 -0.885 28 H2' G 3 H2' G 3 1.502 16.689 -0.203 29 HO2' G 3 HO2' G 3 3.131 17.601 -1.721 30 H1' G 3 H1' G 3 2.047 19.316 -0.988 31 H8 G 3 H8 G 3 -1.168 18.889 1.035 32 H1 G 3 H1 G 3 4.153 18.939 4.608 33 H21 G 3 HN' G 3 5.937 18.917 3.327 34 H22 G 3 HN'' G 3 5.844 18.878 1.580 35 H5' U 4 H5' U 4 2.587 15.065 -2.512 36 H5'' U 4 H5'' U 4 2.603 13.292 -2.538 37 H4' U 4 H4' U 4 4.646 14.116 -1.445 38 H3' U 4 H3' U 4 2.586 12.827 0.400 39 H2' U 4 H2' U 4 4.175 12.958 2.127 40 HO2' U 4 HO2' U 4 6.366 13.944 1.220 41 H1' U 4 H1' U 4 5.131 15.471 1.420 42 H3 U 4 H3 U 4 3.209 15.743 5.541 43 H5 U 4 H5 U 4 -0.046 15.344 2.895 44 H6 U 4 H6 U 4 1.542 15.029 1.090 45 H5' A 5 H5' A 5 6.346 10.896 0.682 46 H5'' A 5 H5'' A 5 6.200 9.142 0.897 47 H4' A 5 H4' A 5 7.730 10.047 2.594 48 H3' A 5 H3' A 5 4.993 9.225 3.612 49 H2' A 5 H2' A 5 5.816 9.533 5.792 50 HO2' A 5 HO2' A 5 8.393 10.273 5.244 51 H1' A 5 H1' A 5 7.216 11.862 5.186 52 H8 A 5 H8 A 5 3.691 11.611 3.672 53 H61 A 5 HN' A 5 1.551 13.634 9.091 54 H62 A 5 HN'' A 5 1.152 13.207 7.443 55 H2 A 5 H2 A 5 5.970 12.942 9.524 56 H5' G 6 H5' G 6 8.030 7.291 5.645 57 H5'' G 6 H5'' G 6 7.676 5.599 6.035 58 H4' G 6 H4' G 6 8.401 6.808 8.064 59 H3' G 6 H3' G 6 5.459 6.043 7.951 60 H2' G 6 H2' G 6 5.195 6.839 10.122 61 HO2' G 6 HO2' G 6 7.059 7.243 11.471 62 H1' G 6 H1' G 6 7.083 8.930 9.888 63 H8 G 6 H8 G 6 4.351 8.778 7.206 64 H1 G 6 H1 G 6 2.411 11.377 12.737 65 H21 G 6 HN' G 6 3.973 11.181 14.267 66 H22 G 6 HN'' G 6 5.509 10.402 13.954 67 H5' A 7 H5' A 7 7.042 4.947 11.444 68 H5'' A 7 H5'' A 7 6.572 3.350 12.058 69 H4' A 7 H4' A 7 6.171 5.109 13.767 70 H3' A 7 H3' A 7 3.694 3.793 12.524 71 H2' A 7 H2' A 7 2.365 5.044 14.007 72 HO2' A 7 HO2' A 7 4.209 6.301 15.532 73 H1' A 7 H1' A 7 3.924 7.355 13.937 74 H8 A 7 H8 A 7 3.156 5.937 10.468 75 H61 A 7 HN' A 7 -2.079 9.211 10.726 76 H62 A 7 HN'' A 7 -1.029 8.240 9.719 77 H2 A 7 H2 A 7 -0.148 9.361 14.773 78 H5' A 8 H5' A 8 3.175 3.682 16.568 79 H5'' A 8 H5'' A 8 2.520 2.163 17.198 80 H4' A 8 H4' A 8 1.126 3.984 18.008 81 H3' A 8 H3' A 8 -0.131 2.265 15.824 82 H2' A 8 H2' A 8 -2.084 3.537 16.100 83 HO2' A 8 HO2' A 8 -0.972 4.101 18.642 84 H1' A 8 H1' A 8 -0.829 5.979 16.672 85 H8 A 8 H8 A 8 0.456 4.252 13.509 86 H61 A 8 HN' A 8 -4.297 6.919 10.583 87 H62 A 8 HN'' A 8 -2.832 5.982 10.399 88 H2 A 8 H2 A 8 -4.777 7.661 14.980 89 H5' A 9 H5' A 9 -2.711 2.471 19.133 90 H5'' A 9 H5'' A 9 -3.505 0.925 19.496 91 H4' A 9 H4' A 9 -5.205 2.695 19.345 92 H3' A 9 H3' A 9 -5.192 0.748 16.971 93 H2' A 9 H2' A 9 -7.050 1.871 16.103 94 HO2' A 9 HO2' A 9 -7.506 3.481 18.342 95 H1' A 9 H1' A 9 -6.322 4.426 16.998 96 H8 A 9 H8 A 9 -3.639 2.470 15.086 97 H61 A 9 HN' A 9 -6.299 4.588 9.927 98 H62 A 9 HN'' A 9 -4.942 3.714 10.597 99 H2 A 9 H2 A 9 -8.884 5.761 13.402 100 H5' C 10 H5' C 10 -9.079 1.007 18.330 101 H5'' C 10 H5'' C 10 -9.924 -0.553 18.345 102 H4' C 10 H4' C 10 -11.253 1.139 17.116 103 H3' C 10 H3' C 10 -9.982 -1.028 15.365 104 H2' C 10 H2' C 10 -11.104 -0.126 13.526 105 HO2' C 10 HO2' C 10 -13.147 0.275 13.923 106 H1' C 10 H1' C 10 -10.988 2.551 14.424 107 H41 C 10 HN' C 10 -7.139 1.746 9.377 108 H42 C 10 HN'' C 10 -5.969 0.931 10.393 109 H5 C 10 H5 C 10 -6.348 0.442 12.711 110 H6 C 10 H6 C 10 -7.931 0.612 14.569 111 H5' A 11 H5' A 11 -14.508 -1.035 15.341 112 H5'' A 11 H5'' A 11 -15.078 -2.719 15.300 113 H4' A 11 H4' A 11 -16.398 -1.352 13.729 114 H3' A 11 H3' A 11 -14.421 -3.283 12.433 115 H2' A 11 H2' A 11 -15.231 -2.635 10.329 116 HO2' A 11 HO2' A 11 -17.312 -1.027 11.207 117 H1' A 11 H1' A 11 -15.655 0.049 10.988 118 H8 A 11 H8 A 11 -12.199 -1.234 11.987 119 H61 A 11 HN' A 11 -10.527 -0.209 6.118 120 H62 A 11 HN'' A 11 -9.972 -0.634 7.721 121 H2 A 11 H2 A 11 -14.963 0.361 6.421 122 H5' A 12 H5' A 12 -18.145 -3.641 10.648 123 H5'' A 12 H5'' A 12 -18.655 -5.315 10.340 124 H4' A 12 H4' A 12 -18.866 -3.934 8.283 125 H3' A 12 H3' A 12 -16.633 -6.035 8.223 126 H2' A 12 H2' A 12 -16.180 -5.417 6.011 127 HO2' A 12 HO2' A 12 -17.676 -4.608 4.675 128 H1' A 12 H1' A 12 -16.755 -2.694 6.344 129 H8 A 12 H8 A 12 -14.345 -4.156 8.935 130 H61 A 12 HN' A 12 -9.897 -3.305 4.718 131 H62 A 12 HN'' A 12 -10.247 -3.748 6.374 132 H2 A 12 H2 A 12 -13.845 -2.449 2.772 133 H5' G 13 H5' G 13 -18.993 -6.360 4.768 134 H5'' G 13 H5'' G 13 -19.288 -8.032 4.262 135 H4' G 13 H4' G 13 -18.471 -6.711 2.345 136 H3' G 13 H3' G 13 -16.466 -8.704 3.482 137 H2' G 13 H2' G 13 -15.032 -8.183 1.697 138 HO2' G 13 HO2' G 13 -16.462 -6.470 0.207 139 H1' G 13 H1' G 13 -15.650 -5.456 1.645 140 H8 G 13 H8 G 13 -14.941 -6.885 5.113 141 H1 G 13 H1 G 13 -9.635 -5.694 1.723 142 H21 G 13 HN' G 13 -10.141 -5.152 -0.337 143 H22 G 13 HN'' G 13 -11.790 -5.074 -0.916 144 H5' G 14 H5' G 14 -16.754 -9.266 -0.584 145 H5'' G 14 H5'' G 14 -16.807 -10.970 -1.069 146 H4' G 14 H4' G 14 -15.085 -9.800 -2.380 147 H3' G 14 H3' G 14 -14.051 -11.696 -0.224 148 H2' G 14 H2' G 14 -11.876 -11.335 -1.014 149 HO2' G 14 HO2' G 14 -13.225 -10.586 -3.373 150 H1' G 14 H1' G 14 -12.232 -8.624 -1.594 151 H8 G 14 H8 G 14 -13.509 -9.722 1.837 152 H1 G 14 H1 G 14 -7.158 -8.893 1.622 153 H21 G 14 HN' G 14 -6.499 -8.514 -0.431 154 H22 G 14 HN'' G 14 -7.604 -8.468 -1.787 155 H5' C 15 H5' C 15 -12.227 -12.746 -3.802 156 H5'' C 15 H5'' C 15 -12.173 -14.498 -4.060 157 H4' C 15 H4' C 15 -9.929 -13.578 -4.401 158 H3' C 15 H3' C 15 -10.328 -15.132 -1.803 159 H2' C 15 H2' C 15 -8.020 -14.938 -1.409 160 HO2' C 15 HO2' C 15 -6.558 -14.628 -2.982 161 H1' C 15 H1' C 15 -7.786 -12.342 -2.404 162 H41 C 15 HN' C 15 -7.615 -12.409 3.983 163 H42 C 15 HN'' C 15 -9.354 -12.597 4.041 164 H5 C 15 H5 C 15 -10.721 -12.831 2.082 165 H6 C 15 H6 C 15 -10.727 -12.963 -0.363 166 H5' U 16 H5' U 16 -7.036 -16.812 -3.566 167 H5'' U 16 H5'' U 16 -7.028 -18.583 -3.487 168 H4' U 16 H4' U 16 -4.911 -17.722 -2.577 169 H3' U 16 H3' U 16 -6.878 -18.824 -0.526 170 H2' U 16 H2' U 16 -5.291 -18.481 1.153 171 HO2' U 16 HO2' U 16 -3.055 -17.745 0.153 172 H1' U 16 H1' U 16 -4.178 -16.148 0.056 173 H3 U 16 H3 U 16 -5.675 -15.266 4.276 174 H5 U 16 H5 U 16 -9.183 -15.699 1.981 175 H6 U 16 H6 U 16 -7.796 -16.339 0.099 176 H5' U 17 H5' U 17 -4.159 -23.504 -0.364 177 H5'' U 17 H5'' U 17 -4.884 -23.447 1.256 178 H4' U 17 H4' U 17 -2.498 -24.007 1.483 179 H3' U 17 H3' U 17 -3.789 -22.042 2.879 180 H2' U 17 H2' U 17 -3.150 -20.170 1.631 181 HO2' U 17 HO2' U 17 -1.104 -19.353 2.518 182 H1' U 17 H1' U 17 -0.392 -21.160 1.038 183 H3 U 17 H3 U 17 -0.437 -17.215 -1.240 184 H5 U 17 H5 U 17 -3.222 -19.663 -3.241 185 H6 U 17 H6 U 17 -3.017 -21.268 -1.433 186 H5' C 18 H5' C 18 -0.463 -20.561 4.224 187 H5'' C 18 H5'' C 18 -0.143 -20.811 5.951 188 H4' C 18 H4' C 18 -0.145 -18.376 5.304 189 H3' C 18 H3' C 18 -1.146 -19.563 7.522 190 H2' C 18 H2' C 18 -3.430 -19.540 6.961 191 HO2' C 18 HO2' C 18 -3.138 -16.791 7.649 192 H1' C 18 H1' C 18 -3.160 -16.894 5.555 193 H41 C 18 HN' C 18 -8.940 -18.606 3.612 194 H42 C 18 HN'' C 18 -8.246 -19.926 2.696 195 H5 C 18 H5 C 18 -5.927 -20.538 2.814 196 H6 C 18 H6 C 18 -3.753 -20.005 3.811 197 H5' G 19 H5' G 19 1.846 -17.789 7.929 198 H5'' G 19 H5'' G 19 2.466 -17.181 9.474 199 H4' G 19 H4' G 19 3.909 -15.876 8.325 200 H3' G 19 H3' G 19 1.264 -14.657 7.532 201 H2' G 19 H2' G 19 2.176 -13.632 5.690 202 HO2' G 19 HO2' G 19 3.688 -12.511 7.167 203 H1' G 19 H1' G 19 4.553 -15.267 5.490 204 H8 G 19 H8 G 19 4.575 -15.906 3.005 205 H1 G 19 H1 G 19 -1.795 -15.460 2.501 206 H21 G 19 HN' G 19 -2.702 -15.064 4.462 207 H22 G 19 HN'' G 19 -1.755 -14.892 5.923 208 H5' G 20 H5' G 20 2.426 -9.527 6.969 209 H5'' G 20 H5'' G 20 0.944 -10.480 7.190 210 H4' G 20 H4' G 20 2.914 -10.916 4.903 211 H3' G 20 H3' G 20 0.492 -9.107 5.231 212 H2' G 20 H2' G 20 -0.334 -9.699 3.134 213 HO2' G 20 HO2' G 20 0.944 -10.178 1.493 214 H1' G 20 H1' G 20 0.359 -12.366 3.146 215 H8 G 20 H8 G 20 -1.107 -11.202 6.476 216 H1 G 20 H1 G 20 -5.528 -12.421 1.999 217 H21 G 20 HN' G 20 -4.574 -12.776 0.056 218 H22 G 20 HN'' G 20 -2.839 -12.713 -0.169 219 H5' C 21 H5' C 21 1.867 -8.252 1.474 220 H5'' C 21 H5'' C 21 2.041 -6.509 1.200 221 H4' C 21 H4' C 21 0.672 -7.474 -0.598 222 H3' C 21 H3' C 21 -0.779 -5.823 1.501 223 H2' C 21 H2' C 21 -2.781 -6.057 0.342 224 HO2' C 21 HO2' C 21 -1.377 -7.044 -1.937 225 H1' C 21 H1' C 21 -2.262 -8.649 -0.641 226 H41 C 21 HN' C 21 -6.845 -8.754 3.829 227 H42 C 21 HN'' C 21 -5.639 -8.561 5.082 228 H5 C 21 H5 C 21 -3.303 -8.256 4.631 229 H6 C 21 H6 C 21 -1.600 -8.051 2.882 230 H5' C 22 H5' C 22 -1.895 -4.342 -2.202 231 H5'' C 22 H5'' C 22 -1.888 -2.571 -2.262 232 H4' C 22 H4' C 22 -4.042 -3.389 -3.092 233 H3' C 22 H3' C 22 -4.026 -2.042 -0.353 234 H2' C 22 H2' C 22 -6.306 -2.354 -0.147 235 HO2' C 22 HO2' C 22 -7.232 -3.106 -2.492 236 H1' C 22 H1' C 22 -6.503 -4.699 -1.739 237 H41 C 22 HN' C 22 -8.001 -6.169 4.278 238 H42 C 22 HN'' C 22 -6.324 -6.015 4.753 239 H5 C 22 H5 C 22 -4.585 -5.313 3.254 240 H6 C 22 H6 C 22 -4.067 -4.584 0.975 241 H5' U 23 H5' U 23 -7.102 -0.431 -2.181 242 H5'' U 23 H5'' U 23 -7.048 1.339 -2.275 243 H4' U 23 H4' U 23 -9.242 0.588 -1.409 244 H3' U 23 H3' U 23 -7.329 1.990 0.522 245 H2' U 23 H2' U 23 -8.989 1.925 2.180 246 HO2' U 23 HO2' U 23 -10.949 0.930 0.412 247 H1' U 23 H1' U 23 -9.974 -0.591 1.554 248 H3 U 23 H3 U 23 -8.186 -0.477 5.786 249 H5 U 23 H5 U 23 -4.878 -0.793 3.194 250 H6 U 23 H6 U 23 -6.395 -0.506 1.326 251 H5' G 24 H5' G 24 -11.146 4.126 0.190 252 H5'' G 24 H5'' G 24 -10.934 5.889 0.255 253 H4' G 24 H4' G 24 -12.705 5.173 1.828 254 H3' G 24 H3' G 24 -10.114 6.167 3.117 255 H2' G 24 H2' G 24 -11.167 5.937 5.216 256 HO2' G 24 HO2' G 24 -13.627 5.100 4.623 257 H1' G 24 H1' G 24 -12.442 3.556 4.657 258 H8 G 24 H8 G 24 -8.828 3.705 3.396 259 H1 G 24 H1 G 24 -9.381 2.533 9.675 260 H21 G 24 HN' G 24 -11.488 2.725 10.299 261 H22 G 24 HN'' G 24 -12.764 3.152 9.180 262 H5' C 25 H5' C 25 -13.323 7.993 4.894 263 H5'' C 25 H5'' C 25 -13.108 9.730 5.206 264 H4' C 25 H4' C 25 -13.816 8.556 7.269 265 H3' C 25 H3' C 25 -10.939 9.606 7.240 266 H2' C 25 H2' C 25 -10.769 8.956 9.492 267 HO2' C 25 HO2' C 25 -13.464 8.169 9.697 268 H1' C 25 H1' C 25 -12.132 6.561 9.214 269 H41 C 25 HN' C 25 -5.831 5.483 9.174 270 H42 C 25 HN'' C 25 -5.742 5.978 7.498 271 H5 C 25 H5 C 25 -7.629 6.815 6.267 272 H6 C 25 H6 C 25 -10.009 7.386 6.375 273 H5' U 26 H5' U 26 -12.725 10.918 10.599 274 H5'' U 26 H5'' U 26 -12.340 12.594 11.025 275 H4' U 26 H4' U 26 -11.897 11.132 12.953 276 H3' U 26 H3' U 26 -9.448 12.278 11.546 277 H2' U 26 H2' U 26 -8.122 11.372 13.246 278 HO2' U 26 HO2' U 26 -9.199 10.419 15.147 279 H1' U 26 H1' U 26 -9.542 8.995 13.494 280 H3 U 26 H3 U 26 -5.317 8.028 12.104 281 H5 U 26 H5 U 26 -7.145 9.761 8.726 282 H6 U 26 H6 U 26 -9.095 10.217 10.095 283 H5' U 27 H5' U 27 -9.212 12.995 15.494 284 H5'' U 27 H5'' U 27 -8.603 14.598 15.940 285 H4' U 27 H4' U 27 -7.319 12.875 17.127 286 H3' U 27 H3' U 27 -5.825 14.344 14.898 287 H2' U 27 H2' U 27 -3.884 13.220 15.586 288 HO2' U 27 HO2' U 27 -3.743 12.177 17.589 289 H1' U 27 H1' U 27 -5.127 10.790 16.141 290 H3 U 27 H3 U 27 -2.131 10.116 12.787 291 H5 U 27 H5 U 27 -5.297 12.205 10.952 292 H6 U 27 H6 U 27 -6.312 12.461 13.140 293 H5' U 28 H5' U 28 -3.633 14.601 18.340 294 H5'' U 28 H5'' U 28 -2.781 16.141 18.554 295 H4' U 28 H4' U 28 -1.173 14.285 18.703 296 H3' U 28 H3' U 28 -1.001 15.981 16.179 297 H2' U 28 H2' U 28 0.947 14.800 15.617 298 HO2' U 28 HO2' U 28 1.500 13.100 17.457 299 H1' U 28 H1' U 28 0.009 12.318 16.416 300 H3 U 28 H3 U 28 0.659 12.288 11.904 301 H5 U 28 H5 U 28 -2.765 14.683 12.444 302 H6 U 28 H6 U 28 -2.443 14.490 14.839 303 H5' U 29 H5' U 29 2.666 15.789 18.170 304 H5'' U 29 H5'' U 29 3.568 17.314 18.125 305 H4' U 29 H4' U 29 5.045 15.495 17.415 306 H3' U 29 H3' U 29 4.128 17.374 15.195 307 H2' U 29 H2' U 29 5.619 16.270 13.766 308 HO2' U 29 HO2' U 29 7.073 14.618 14.724 309 H1' U 29 H1' U 29 5.078 13.717 14.695 310 H3 U 29 H3 U 29 3.649 14.034 10.378 311 H5 U 29 H5 U 29 0.858 16.314 12.560 312 H6 U 29 H6 U 29 2.211 15.957 14.541 313 H5' G 30 H5' G 30 8.180 17.154 15.215 314 H5'' G 30 H5'' G 30 8.990 18.706 14.951 315 H4' G 30 H4' G 30 9.875 17.068 13.366 316 H3' G 30 H3' G 30 8.042 19.207 12.177 317 H2' G 30 H2' G 30 8.528 18.344 10.058 318 HO2' G 30 HO2' G 30 10.384 17.318 9.590 319 H1' G 30 H1' G 30 8.710 15.654 10.853 320 H8 G 30 H8 G 30 5.540 17.428 12.025 321 H1 G 30 H1 G 30 5.323 15.476 5.924 322 H21 G 30 HN' G 30 7.292 14.750 5.281 323 H22 G 30 HN'' G 30 8.687 14.743 6.338 324 H5' C 31 H5' C 31 11.440 19.242 9.949 325 H5'' C 31 H5'' C 31 12.000 20.870 9.529 326 H4' C 31 H4' C 31 11.792 19.536 7.480 327 H3' C 31 H3' C 31 9.670 21.691 7.889 328 H2' C 31 H2' C 31 8.817 21.203 5.769 329 HO2' C 31 HO2' C 31 11.161 19.663 5.237 330 H1' C 31 H1' C 31 9.292 18.445 5.875 331 H41 C 31 HN' C 31 3.048 19.632 6.574 332 H42 C 31 HN'' C 31 3.318 20.089 8.241 333 H5 C 31 H5 C 31 5.492 20.200 9.245 334 H6 C 31 H6 C 31 7.894 19.911 8.878 335 H5' U 32 H5' U 32 11.205 22.187 4.146 336 H5'' U 32 H5'' U 32 11.584 23.875 3.762 337 H4' U 32 H4' U 32 10.229 22.905 1.957 338 H3' U 32 H3' U 32 8.898 24.938 3.786 339 HO3' U 32 H3T U 32 10.672 25.347 2.136 340 H2' U 32 H2' U 32 6.916 24.783 2.616 341 HO2' U 32 HO2' U 32 6.962 23.773 0.430 342 H1' U 32 H1' U 32 7.221 22.093 1.765 343 H3 U 32 H3 U 32 3.143 22.350 3.757 344 H5 U 32 H5 U 32 5.876 22.867 6.923 345 H6 U 32 H6 U 32 7.667 22.881 5.290 346 H7 0EC 101 H7 LIG 33 -6.657 -2.819 9.847 347 H10 0EC 101 H10 LIG 33 -5.524 -4.561 5.470 348 HN14 0EC 101 H14 LIG 33 -4.683 1.788 6.249 349 H12 0EC 101 H121 LIG 33 -2.987 1.360 9.822 350 H12A 0EC 101 H122 LIG 33 -4.370 0.253 9.893 351 H13 0EC 101 H131 LIG 33 -5.525 1.479 8.426 352 H13A 0EC 101 H132 LIG 33 -4.251 2.723 8.538 353 HN5 0EC 101 H52 LIG 33 -4.397 -3.105 4.360 354 H15 0EC 101 H152 LIG 33 -2.446 2.559 7.247 355 HN5A 0EC 101 H51 LIG 33 -2.781 -3.472 4.907 356 H15A 0EC 101 H151 LIG 33 -2.437 1.444 5.852 357 H16 0EC 101 H162 LIG 33 -1.298 0.956 8.355 358 H16A 0EC 101 H161 LIG 33 -1.584 -0.229 7.068 359 H8A 0EC 101 H81 LIG 33 -8.728 -1.800 8.330 360 H8AA 0EC 101 H83 LIG 33 -8.796 -2.602 6.748 361 H8AB 0EC 101 H82 LIG 33 -10.231 -2.578 7.797 362 H9A 0EC 101 H91 LIG 33 -8.755 -4.968 5.432 363 H9AA 0EC 101 H93 LIG 33 -9.216 -6.583 6.007 364 H9AB 0EC 101 H92 LIG 33 -9.334 -5.177 7.096 Start of MODEL 4 1 H5' G 1 H5' G 1 -12.892 25.668 4.868 2 H5'' G 1 H5'' G 1 -13.034 24.027 4.194 3 H4' G 1 H4' G 1 -12.064 25.571 2.532 4 H3' G 1 H3' G 1 -10.179 23.574 3.844 5 H2' G 1 H2' G 1 -8.443 24.310 2.437 6 HO2' G 1 HO2' G 1 -9.105 25.928 0.722 7 H1' G 1 H1' G 1 -9.099 27.000 2.498 8 H8 G 1 H8 G 1 -9.212 25.423 5.960 9 H1 G 1 H1 G 1 -3.258 26.531 3.861 10 H21 G 1 HN' G 1 -3.293 27.191 1.767 11 H22 G 1 HN'' G 1 -4.781 27.352 0.854 12 HO5' G 1 H5T G 1 -11.573 24.941 6.328 13 H5' A 2 H5' A 2 -9.479 23.338 -0.212 14 H5'' A 2 H5'' A 2 -9.416 21.671 -0.817 15 H4' A 2 H4' A 2 -7.398 22.905 -1.538 16 H3' A 2 H3' A 2 -6.964 20.837 0.663 17 H2' A 2 H2' A 2 -4.664 21.227 0.543 18 HO2' A 2 HO2' A 2 -4.262 22.914 -1.439 19 H1' A 2 H1' A 2 -4.875 23.975 0.061 20 H8 A 2 H8 A 2 -6.991 22.690 2.975 21 H61 A 2 HN' A 2 -1.834 22.924 6.388 22 H62 A 2 HN'' A 2 -3.562 22.656 6.406 23 H2 A 2 H2 A 2 -0.723 23.778 2.129 24 H5' G 3 H5' G 3 -4.248 20.149 -2.359 25 H5'' G 3 H5'' G 3 -4.017 18.431 -2.732 26 H4' G 3 H4' G 3 -1.827 19.495 -2.372 27 H3' G 3 H3' G 3 -2.768 17.631 -0.138 28 H2' G 3 H2' G 3 -0.675 17.892 0.889 29 HO2' G 3 HO2' G 3 1.049 19.009 -0.314 30 H1' G 3 H1' G 3 -0.382 20.590 0.225 31 H8 G 3 H8 G 3 -3.787 19.679 1.702 32 H1 G 3 H1 G 3 0.847 20.320 6.083 33 H21 G 3 HN' G 3 2.797 20.573 5.106 34 H22 G 3 HN'' G 3 2.987 20.576 3.366 35 H5' U 4 H5' U 4 0.965 16.460 -1.191 36 H5'' U 4 H5'' U 4 1.202 14.704 -1.214 37 H4' U 4 H4' U 4 2.913 15.732 0.216 38 H3' U 4 H3' U 4 0.710 14.207 1.683 39 H2' U 4 H2' U 4 1.958 14.480 3.662 40 HO2' U 4 HO2' U 4 4.051 14.571 1.909 41 H1' U 4 H1' U 4 2.718 17.095 3.127 42 H3 U 4 H3 U 4 0.047 17.085 6.815 43 H5 U 4 H5 U 4 -2.591 16.333 3.617 44 H6 U 4 H6 U 4 -0.671 16.235 2.140 45 H5' A 5 H5' A 5 4.445 12.620 2.813 46 H5'' A 5 H5'' A 5 4.381 10.856 2.978 47 H4' A 5 H4' A 5 5.371 11.820 5.006 48 H3' A 5 H3' A 5 2.510 10.855 5.294 49 H2' A 5 H2' A 5 2.725 11.154 7.614 50 HO2' A 5 HO2' A 5 4.867 11.703 8.492 51 H1' A 5 H1' A 5 4.192 13.528 7.384 52 H8 A 5 H8 A 5 1.104 13.279 5.121 53 H61 A 5 HN' A 5 -2.245 15.074 9.980 54 H62 A 5 HN'' A 5 -2.252 14.706 8.270 55 H2 A 5 H2 A 5 1.973 14.408 11.381 56 H5' G 6 H5' G 6 4.976 8.980 8.040 57 H5'' G 6 H5'' G 6 4.586 7.271 8.301 58 H4' G 6 H4' G 6 4.704 8.446 10.467 59 H3' G 6 H3' G 6 1.899 7.670 9.567 60 H2' G 6 H2' G 6 1.066 8.423 11.606 61 HO2' G 6 HO2' G 6 3.752 8.116 12.524 62 H1' G 6 H1' G 6 2.974 10.498 11.919 63 H8 G 6 H8 G 6 0.966 10.445 8.655 64 H1 G 6 H1 G 6 -2.219 12.957 13.620 65 H21 G 6 HN' G 6 -1.072 12.706 15.475 66 H22 G 6 HN'' G 6 0.486 11.911 15.520 67 H5' A 7 H5' A 7 2.481 6.468 13.343 68 H5'' A 7 H5'' A 7 1.859 4.856 13.748 69 H4' A 7 H4' A 7 1.003 6.552 15.345 70 H3' A 7 H3' A 7 -1.062 5.362 13.409 71 H2' A 7 H2' A 7 -2.720 6.583 14.543 72 HO2' A 7 HO2' A 7 -1.746 7.765 16.584 73 H1' A 7 H1' A 7 -1.130 8.830 15.044 74 H8 A 7 H8 A 7 -1.035 7.665 11.404 75 H61 A 7 HN' A 7 -6.073 11.147 10.570 76 H62 A 7 HN'' A 7 -4.828 10.194 9.792 77 H2 A 7 H2 A 7 -5.231 10.957 14.973 78 H5' A 8 H5' A 8 -2.666 5.066 17.153 79 H5'' A 8 H5'' A 8 -3.500 3.541 17.490 80 H4' A 8 H4' A 8 -5.023 5.367 17.998 81 H3' A 8 H3' A 8 -5.678 3.834 15.442 82 H2' A 8 H2' A 8 -7.602 5.166 15.269 83 HO2' A 8 HO2' A 8 -7.574 6.538 17.605 84 H1' A 8 H1' A 8 -6.488 7.503 16.369 85 H8 A 8 H8 A 8 -4.475 5.985 13.494 86 H61 A 8 HN' A 8 -8.250 9.097 9.710 87 H62 A 8 HN'' A 8 -6.809 8.113 9.820 88 H2 A 8 H2 A 8 -9.831 9.495 13.888 89 H5' A 9 H5' A 9 -9.057 3.970 17.888 90 H5'' A 9 H5'' A 9 -9.980 2.454 17.906 91 H4' A 9 H4' A 9 -11.495 4.320 17.388 92 H3' A 9 H3' A 9 -10.876 2.508 14.992 93 H2' A 9 H2' A 9 -12.347 3.783 13.703 94 HO2' A 9 HO2' A 9 -14.147 4.521 14.525 95 H1' A 9 H1' A 9 -11.835 6.236 14.981 96 H8 A 9 H8 A 9 -8.790 4.285 13.715 97 H61 A 9 HN' A 9 -9.840 6.931 8.231 98 H62 A 9 HN'' A 9 -8.751 5.935 9.169 99 H2 A 9 H2 A 9 -13.251 7.979 10.951 100 H5' C 10 H5' C 10 -14.965 3.013 15.263 101 H5'' C 10 H5'' C 10 -15.884 1.525 14.967 102 H4' C 10 H4' C 10 -16.754 3.375 13.565 103 H3' C 10 H3' C 10 -15.226 1.206 12.029 104 H2' C 10 H2' C 10 -15.806 2.287 10.041 105 HO2' C 10 HO2' C 10 -17.584 4.112 11.190 106 H1' C 10 H1' C 10 -15.747 4.895 11.129 107 H41 C 10 HN' C 10 -10.839 4.076 7.109 108 H42 C 10 HN'' C 10 -10.010 3.108 8.308 109 H5 C 10 H5 C 10 -10.975 2.516 10.424 110 H6 C 10 H6 C 10 -12.950 2.707 11.856 111 H5' A 11 H5' A 11 -19.045 1.729 10.277 112 H5'' A 11 H5'' A 11 -19.778 0.174 9.823 113 H4' A 11 H4' A 11 -19.821 1.691 7.889 114 H3' A 11 H3' A 11 -17.798 -0.574 7.797 115 H2' A 11 H2' A 11 -17.050 0.106 5.710 116 HO2' A 11 HO2' A 11 -19.072 1.921 5.134 117 H1' A 11 H1' A 11 -17.632 2.869 6.046 118 H8 A 11 H8 A 11 -15.292 0.908 8.446 119 H61 A 11 HN' A 11 -10.725 2.756 4.701 120 H62 A 11 HN'' A 11 -11.122 1.924 6.187 121 H2 A 11 H2 A 11 -14.617 4.069 2.903 122 H5' A 12 H5' A 12 -21.015 -0.250 4.576 123 H5'' A 12 H5'' A 12 -21.486 -1.848 3.960 124 H4' A 12 H4' A 12 -21.293 -0.233 2.092 125 H3' A 12 H3' A 12 -19.128 -2.393 2.246 126 H2' A 12 H2' A 12 -18.185 -1.557 0.275 127 HO2' A 12 HO2' A 12 -20.758 -0.427 -0.106 128 H1' A 12 H1' A 12 -18.704 1.134 0.781 129 H8 A 12 H8 A 12 -17.102 -0.774 3.699 130 H61 A 12 HN' A 12 -11.691 0.245 0.872 131 H62 A 12 HN'' A 12 -12.471 -0.361 2.316 132 H2 A 12 H2 A 12 -14.972 1.602 -1.867 133 H5' G 13 H5' G 13 -20.661 -2.270 -1.645 134 H5'' G 13 H5'' G 13 -20.857 -3.865 -2.391 135 H4' G 13 H4' G 13 -19.572 -2.389 -3.895 136 H3' G 13 H3' G 13 -17.966 -4.595 -2.541 137 H2' G 13 H2' G 13 -16.119 -3.973 -3.856 138 HO2' G 13 HO2' G 13 -18.116 -3.017 -5.540 139 H1' G 13 H1' G 13 -16.590 -1.231 -3.707 140 H8 G 13 H8 G 13 -16.908 -3.080 -0.382 141 H1 G 13 H1 G 13 -10.837 -1.928 -2.080 142 H21 G 13 HN' G 13 -10.744 -1.126 -4.115 143 H22 G 13 HN'' G 13 -12.170 -0.862 -5.093 144 H5' G 14 H5' G 14 -17.208 -4.677 -6.557 145 H5'' G 14 H5'' G 14 -17.187 -6.304 -7.261 146 H4' G 14 H4' G 14 -15.150 -5.089 -7.925 147 H3' G 14 H3' G 14 -14.771 -7.309 -5.866 148 H2' G 14 H2' G 14 -12.457 -6.996 -6.016 149 HO2' G 14 HO2' G 14 -13.009 -6.438 -8.559 150 H1' G 14 H1' G 14 -12.562 -4.215 -6.308 151 H8 G 14 H8 G 14 -14.696 -5.618 -3.468 152 H1 G 14 H1 G 14 -8.469 -5.213 -2.014 153 H21 G 14 HN' G 14 -7.300 -4.645 -3.775 154 H22 G 14 HN'' G 14 -8.027 -4.366 -5.343 155 H5' C 15 H5' C 15 -12.128 -7.996 -9.012 156 H5'' C 15 H5'' C 15 -12.085 -9.697 -9.507 157 H4' C 15 H4' C 15 -9.790 -8.913 -9.173 158 H3' C 15 H3' C 15 -10.880 -10.765 -7.004 159 H2' C 15 H2' C 15 -8.738 -10.804 -6.044 160 HO2' C 15 HO2' C 15 -7.779 -9.579 -8.444 161 H1' C 15 H1' C 15 -8.148 -8.126 -6.563 162 H41 C 15 HN' C 15 -9.557 -9.044 -0.399 163 H42 C 15 HN'' C 15 -11.263 -9.100 -0.784 164 H5 C 15 H5 C 15 -12.116 -8.967 -3.024 165 H6 C 15 H6 C 15 -11.525 -8.776 -5.393 166 H5' U 16 H5' U 16 -7.332 -12.467 -8.184 167 H5'' U 16 H5'' U 16 -7.434 -14.227 -8.366 168 H4' U 16 H4' U 16 -5.562 -13.679 -6.871 169 H3' U 16 H3' U 16 -8.028 -14.862 -5.526 170 H2' U 16 H2' U 16 -6.895 -14.870 -3.485 171 HO2' U 16 HO2' U 16 -4.445 -14.225 -3.790 172 H1' U 16 H1' U 16 -5.412 -12.527 -3.937 173 H3 U 16 H3 U 16 -7.841 -12.024 -0.111 174 H5 U 16 H5 U 16 -10.709 -11.906 -3.197 175 H6 U 16 H6 U 16 -8.941 -12.425 -4.772 176 H5' U 17 H5' U 17 -5.734 -19.762 -5.449 177 H5'' U 17 H5'' U 17 -6.778 -19.830 -4.013 178 H4' U 17 H4' U 17 -4.547 -20.654 -3.391 179 H3' U 17 H3' U 17 -5.945 -18.743 -2.032 180 H2' U 17 H2' U 17 -4.925 -16.812 -2.868 181 HO2' U 17 HO2' U 17 -3.051 -16.311 -1.496 182 H1' U 17 H1' U 17 -2.183 -17.988 -3.033 183 H3 U 17 H3 U 17 -1.479 -13.833 -4.757 184 H5 U 17 H5 U 17 -3.970 -15.763 -7.552 185 H6 U 17 H6 U 17 -4.253 -17.572 -5.959 186 H5' C 18 H5' C 18 -2.938 -17.734 0.155 187 H5'' C 18 H5'' C 18 -3.007 -18.229 1.857 188 H4' C 18 H4' C 18 -2.753 -15.741 1.591 189 H3' C 18 H3' C 18 -4.299 -17.131 3.336 190 H2' C 18 H2' C 18 -6.389 -16.832 2.302 191 HO2' C 18 HO2' C 18 -7.141 -15.673 3.898 192 H1' C 18 H1' C 18 -5.653 -14.057 1.399 193 H41 C 18 HN' C 18 -10.933 -14.967 -1.978 194 H42 C 18 HN'' C 18 -10.125 -16.205 -2.915 195 H5 C 18 H5 C 18 -7.931 -17.031 -2.396 196 H6 C 18 H6 C 18 -6.012 -16.835 -0.884 197 H5' G 19 H5' G 19 -1.366 -15.607 4.615 198 H5'' G 19 H5'' G 19 -1.089 -15.301 6.338 199 H4' G 19 H4' G 19 0.609 -13.924 5.765 200 H3' G 19 H3' G 19 -1.766 -12.416 4.662 201 H2' G 19 H2' G 19 -0.441 -11.156 3.270 202 HO2' G 19 HO2' G 19 1.239 -11.247 5.482 203 H1' G 19 H1' G 19 1.872 -12.890 3.286 204 H8 G 19 H8 G 19 2.423 -13.086 0.790 205 H1 G 19 H1 G 19 -3.670 -12.172 -0.961 206 H21 G 19 HN' G 19 -4.975 -12.064 0.802 207 H22 G 19 HN'' G 19 -4.367 -12.204 2.437 208 H5' G 20 H5' G 20 -0.464 -7.340 5.349 209 H5'' G 20 H5'' G 20 -1.962 -8.241 5.037 210 H4' G 20 H4' G 20 0.471 -8.317 3.200 211 H3' G 20 H3' G 20 -1.952 -6.481 3.347 212 H2' G 20 H2' G 20 -2.265 -6.591 1.040 213 HO2' G 20 HO2' G 20 -0.642 -7.294 -0.380 214 H1' G 20 H1' G 20 -1.610 -9.241 0.659 215 H8 G 20 H8 G 20 -3.821 -8.540 3.720 216 H1 G 20 H1 G 20 -7.051 -8.990 -1.798 217 H21 G 20 HN' G 20 -5.662 -9.113 -3.491 218 H22 G 20 HN'' G 20 -3.923 -9.081 -3.290 219 H5' C 21 H5' C 21 0.274 -4.965 0.260 220 H5'' C 21 H5'' C 21 0.512 -3.213 0.398 221 H4' C 21 H4' C 21 -0.391 -3.730 -1.828 222 H3' C 21 H3' C 21 -2.325 -2.458 0.157 223 H2' C 21 H2' C 21 -3.964 -2.357 -1.493 224 HO2' C 21 HO2' C 21 -3.352 -2.732 -3.757 225 H1' C 21 H1' C 21 -3.220 -4.736 -2.803 226 H41 C 21 HN' C 21 -8.757 -5.474 0.323 227 H42 C 21 HN'' C 21 -7.897 -5.572 1.844 228 H5 C 21 H5 C 21 -5.522 -5.289 2.038 229 H6 C 21 H6 C 21 -3.443 -4.837 0.825 230 H5' C 22 H5' C 22 -2.444 -0.151 -3.298 231 H5'' C 22 H5'' C 22 -2.431 1.588 -2.959 232 H4' C 22 H4' C 22 -4.296 1.084 -4.463 233 H3' C 22 H3' C 22 -5.035 1.826 -1.597 234 H2' C 22 H2' C 22 -7.278 1.593 -2.104 235 HO2' C 22 HO2' C 22 -7.713 1.412 -4.590 236 H1' C 22 H1' C 22 -7.007 -0.384 -4.116 237 H41 C 22 HN' C 22 -10.029 -2.906 0.899 238 H42 C 22 HN'' C 22 -8.524 -2.975 1.790 239 H5 C 22 H5 C 22 -6.450 -2.108 0.947 240 H6 C 22 H6 C 22 -5.359 -0.970 -0.926 241 H5' U 23 H5' U 23 -7.468 3.871 -4.035 242 H5'' U 23 H5'' U 23 -7.277 5.626 -3.866 243 H4' U 23 H4' U 23 -9.677 5.011 -3.983 244 H3' U 23 H3' U 23 -8.634 6.025 -1.282 245 H2' U 23 H2' U 23 -10.834 5.963 -0.472 246 HO2' U 23 HO2' U 23 -11.936 5.367 -2.997 247 H1' U 23 H1' U 23 -11.593 3.646 -1.823 248 H3 U 23 H3 U 23 -11.893 3.163 2.744 249 H5 U 23 H5 U 23 -7.807 2.677 1.834 250 H6 U 23 H6 U 23 -8.305 3.322 -0.449 251 H5' G 24 H5' G 24 -12.029 8.167 -2.367 252 H5'' G 24 H5'' G 24 -11.905 9.907 -2.027 253 H4' G 24 H4' G 24 -13.972 8.977 -1.035 254 H3' G 24 H3' G 24 -11.812 9.759 0.988 255 H2' G 24 H2' G 24 -13.351 9.248 2.695 256 HO2' G 24 HO2' G 24 -15.521 8.688 1.063 257 H1' G 24 H1' G 24 -14.448 7.024 1.439 258 H8 G 24 H8 G 24 -10.627 7.153 1.355 259 H1 G 24 H1 G 24 -13.061 5.197 6.954 260 H21 G 24 HN' G 24 -15.256 5.420 6.945 261 H22 G 24 HN'' G 24 -16.129 6.059 5.571 262 H5' C 25 H5' C 25 -15.441 11.417 2.080 263 H5'' C 25 H5'' C 25 -15.324 13.097 2.651 264 H4' C 25 H4' C 25 -16.563 11.723 4.289 265 H3' C 25 H3' C 25 -13.769 12.623 5.162 266 H2' C 25 H2' C 25 -14.229 11.705 7.277 267 HO2' C 25 HO2' C 25 -16.633 10.752 7.277 268 H1' C 25 H1' C 25 -15.499 9.431 6.336 269 H41 C 25 HN' C 25 -9.445 8.045 7.847 270 H42 C 25 HN'' C 25 -8.892 8.750 6.343 271 H5 C 25 H5 C 25 -10.356 9.835 4.777 272 H6 C 25 H6 C 25 -12.666 10.506 4.314 273 H5' U 26 H5' U 26 -16.328 13.634 8.086 274 H5'' U 26 H5'' U 26 -16.024 15.224 8.805 275 H4' U 26 H4' U 26 -16.116 13.525 10.580 276 H3' U 26 H3' U 26 -13.352 14.667 9.971 277 H2' U 26 H2' U 26 -12.532 13.499 11.824 278 HO2' U 26 HO2' U 26 -15.019 12.548 12.691 279 H1' U 26 H1' U 26 -14.065 11.210 11.422 280 H3 U 26 H3 U 26 -9.663 10.104 11.058 281 H5 U 26 H5 U 26 -10.473 12.296 7.552 282 H6 U 26 H6 U 26 -12.693 12.743 8.420 283 H5' U 27 H5' U 27 -14.037 14.978 13.926 284 H5'' U 27 H5'' U 27 -13.507 16.506 14.651 285 H4' U 27 H4' U 27 -12.575 14.639 15.935 286 H3' U 27 H3' U 27 -10.571 16.183 14.211 287 H2' U 27 H2' U 27 -8.868 14.920 15.217 288 HO2' U 27 HO2' U 27 -9.088 13.947 17.164 289 H1' U 27 H1' U 27 -10.299 12.527 15.306 290 H3 U 27 H3 U 27 -6.641 11.894 12.680 291 H5 U 27 H5 U 27 -9.212 14.266 10.331 292 H6 U 27 H6 U 27 -10.693 14.443 12.244 293 H5' U 28 H5' U 28 -9.116 16.141 18.027 294 H5'' U 28 H5'' U 28 -8.302 17.643 18.503 295 H4' U 28 H4' U 28 -6.775 15.749 18.843 296 H3' U 28 H3' U 28 -6.112 17.555 16.475 297 H2' U 28 H2' U 28 -4.096 16.370 16.246 298 HO2' U 28 HO2' U 28 -4.559 14.844 18.580 299 H1' U 28 H1' U 28 -5.202 13.875 16.755 300 H3 U 28 H3 U 28 -3.654 13.983 12.466 301 H5 U 28 H5 U 28 -7.090 16.421 12.394 302 H6 U 28 H6 U 28 -7.259 16.144 14.797 303 H5' U 29 H5' U 29 -2.854 17.340 19.164 304 H5'' U 29 H5'' U 29 -1.997 18.885 19.307 305 H4' U 29 H4' U 29 -0.362 17.119 18.881 306 H3' U 29 H3' U 29 -0.914 18.963 16.515 307 H2' U 29 H2' U 29 0.861 17.919 15.399 308 HO2' U 29 HO2' U 29 1.567 16.999 17.997 309 H1' U 29 H1' U 29 0.249 15.348 16.251 310 H3 U 29 H3 U 29 -0.300 15.572 11.729 311 H5 U 29 H5 U 29 -3.563 17.741 13.279 312 H6 U 29 H6 U 29 -2.616 17.460 15.494 313 H5' G 30 H5' G 30 3.077 18.949 17.234 314 H5'' G 30 H5'' G 30 3.829 20.548 17.109 315 H4' G 30 H4' G 30 5.063 18.982 15.697 316 H3' G 30 H3' G 30 3.316 20.997 14.198 317 H2' G 30 H2' G 30 4.212 20.175 12.198 318 HO2' G 30 HO2' G 30 6.138 18.506 13.291 319 H1' G 30 H1' G 30 4.453 17.503 13.054 320 H8 G 30 H8 G 30 0.995 19.003 13.621 321 H1 G 30 H1 G 30 2.039 17.116 7.585 322 H21 G 30 HN' G 30 4.146 16.566 7.307 323 H22 G 30 HN'' G 30 5.324 16.662 8.597 324 H5' C 31 H5' C 31 7.041 21.290 12.577 325 H5'' C 31 H5'' C 31 7.532 22.955 12.221 326 H4' C 31 H4' C 31 7.772 21.593 10.194 327 H3' C 31 H3' C 31 5.449 23.571 10.188 328 H2' C 31 H2' C 31 5.016 22.992 7.965 329 HO2' C 31 HO2' C 31 6.533 22.233 6.611 330 H1' C 31 H1' C 31 5.687 20.283 8.223 331 H41 C 31 HN' C 31 -0.658 20.960 7.791 332 H42 C 31 HN'' C 31 -0.723 21.444 9.472 333 H5 C 31 H5 C 31 1.225 21.736 10.838 334 H6 C 31 H6 C 31 3.669 21.645 10.902 335 H5' U 32 H5' U 32 7.564 24.142 6.746 336 H5'' U 32 H5'' U 32 7.872 25.851 6.392 337 H4' U 32 H4' U 32 6.938 24.761 4.402 338 H3' U 32 H3' U 32 5.148 26.689 5.922 339 HO3' U 32 H3T U 32 5.705 28.029 4.161 340 H2' U 32 H2' U 32 3.424 26.363 4.422 341 HO2' U 32 HO2' U 32 5.523 25.717 2.642 342 H1' U 32 H1' U 32 4.067 23.696 3.719 343 H3 U 32 H3 U 32 -0.291 23.664 5.011 344 H5 U 32 H5 U 32 1.835 24.443 8.564 345 H6 U 32 H6 U 32 3.866 24.571 7.247 346 H7 0EC 101 H7 LIG 33 -10.046 -1.027 7.043 347 H10 0EC 101 H10 LIG 33 -8.335 -1.031 2.506 348 HN14 0EC 101 H14 LIG 33 -6.596 5.580 7.557 349 H12 0EC 101 H121 LIG 33 -7.050 3.294 8.811 350 H12A 0EC 101 H122 LIG 33 -8.381 2.327 8.152 351 H13 0EC 101 H131 LIG 33 -8.514 3.839 6.205 352 H13A 0EC 101 H132 LIG 33 -8.785 4.718 7.735 353 HN5 0EC 101 H52 LIG 33 -5.578 0.188 2.900 354 H15 0EC 101 H152 LIG 33 -5.290 4.922 5.707 355 HN5A 0EC 101 H51 LIG 33 -7.073 0.555 2.078 356 H15A 0EC 101 H151 LIG 33 -6.672 3.945 5.138 357 H16 0EC 101 H162 LIG 33 -5.087 3.420 7.675 358 H16A 0EC 101 H161 LIG 33 -4.932 2.522 6.155 359 H8A 0EC 101 H81 LIG 33 -11.818 0.071 3.952 360 H8AA 0EC 101 H83 LIG 33 -13.387 -0.412 4.628 361 H8AB 0EC 101 H82 LIG 33 -12.117 0.229 5.693 362 H9A 0EC 101 H91 LIG 33 -11.440 -1.924 1.967 363 H9AA 0EC 101 H93 LIG 33 -11.620 -3.689 1.973 364 H9AB 0EC 101 H92 LIG 33 -12.058 -2.741 3.416 Start of MODEL 5 1 H5' G 1 H5' G 1 -9.255 16.086 1.723 2 H5'' G 1 H5'' G 1 -8.928 17.830 1.593 3 H4' G 1 H4' G 1 -6.856 16.565 2.076 4 H3' G 1 H3' G 1 -7.200 17.668 -0.745 5 H2' G 1 H2' G 1 -5.079 16.900 -1.321 6 HO2' G 1 HO2' G 1 -3.760 16.073 0.648 7 H1' G 1 H1' G 1 -5.094 14.618 0.334 8 H8 G 1 H8 G 1 -8.022 15.135 -2.105 9 H1 G 1 H1 G 1 -2.830 12.465 -4.749 10 H21 G 1 HN' G 1 -1.177 12.408 -3.305 11 H22 G 1 HN'' G 1 -1.325 13.041 -1.677 12 HO5' G 1 H5T G 1 -9.866 16.052 -0.288 13 H5' A 2 H5' A 2 -5.572 20.941 -2.621 14 H5'' A 2 H5'' A 2 -5.607 19.182 -2.852 15 H4' A 2 H4' A 2 -3.807 20.179 -4.226 16 H3' A 2 H3' A 2 -2.968 18.546 -1.797 17 H2' A 2 H2' A 2 -0.724 18.827 -2.380 18 HO2' A 2 HO2' A 2 -1.583 19.829 -4.920 19 H1' A 2 H1' A 2 -0.940 21.453 -3.249 20 H8 A 2 H8 A 2 -2.730 20.734 0.061 21 H61 A 2 HN' A 2 2.802 21.309 2.776 22 H62 A 2 HN'' A 2 1.084 21.113 3.035 23 H2 A 2 H2 A 2 3.410 21.446 -1.664 24 H5' G 3 H5' G 3 -0.828 17.242 -5.048 25 H5'' G 3 H5'' G 3 -0.709 15.475 -5.160 26 H4' G 3 H4' G 3 1.538 16.469 -5.339 27 H3' G 3 H3' G 3 0.939 15.026 -2.708 28 H2' G 3 H2' G 3 3.179 15.338 -2.091 29 HO2' G 3 HO2' G 3 3.608 15.860 -4.863 30 H1' G 3 H1' G 3 3.427 17.878 -3.231 31 H8 G 3 H8 G 3 0.304 17.390 -1.081 32 H1 G 3 H1 G 3 5.635 18.481 2.306 33 H21 G 3 HN' G 3 7.394 18.475 0.991 34 H22 G 3 HN'' G 3 7.282 18.191 -0.732 35 H5' U 4 H5' U 4 4.405 13.533 -4.181 36 H5'' U 4 H5'' U 4 4.606 11.785 -3.970 37 H4' U 4 H4' U 4 6.560 12.953 -3.041 38 H3' U 4 H3' U 4 4.661 11.725 -0.993 39 H2' U 4 H2' U 4 6.244 12.249 0.662 40 HO2' U 4 HO2' U 4 8.051 12.753 -1.499 41 H1' U 4 H1' U 4 6.927 14.727 -0.398 42 H3 U 4 H3 U 4 5.026 15.359 3.694 43 H5 U 4 H5 U 4 1.805 14.276 1.202 44 H6 U 4 H6 U 4 3.400 13.881 -0.581 45 H5' A 5 H5' A 5 8.605 10.231 -0.545 46 H5'' A 5 H5'' A 5 8.638 8.518 -0.091 47 H4' A 5 H4' A 5 10.089 9.793 1.429 48 H3' A 5 H3' A 5 7.461 8.855 2.620 49 H2' A 5 H2' A 5 8.276 9.540 4.715 50 HO2' A 5 HO2' A 5 10.774 10.414 3.935 51 H1' A 5 H1' A 5 9.432 11.887 3.761 52 H8 A 5 H8 A 5 5.927 11.101 2.392 53 H61 A 5 HN' A 5 3.679 13.622 7.553 54 H62 A 5 HN'' A 5 3.300 12.943 5.986 55 H2 A 5 H2 A 5 8.150 13.414 7.953 56 H5' G 6 H5' G 6 10.711 7.530 4.807 57 H5'' G 6 H5'' G 6 10.537 5.883 5.440 58 H4' G 6 H4' G 6 11.171 7.434 7.257 59 H3' G 6 H3' G 6 8.321 6.376 7.349 60 H2' G 6 H2' G 6 8.021 7.444 9.396 61 HO2' G 6 HO2' G 6 9.718 8.007 10.736 62 H1' G 6 H1' G 6 9.682 9.654 8.807 63 H8 G 6 H8 G 6 6.925 8.856 6.270 64 H1 G 6 H1 G 6 4.847 12.016 11.448 65 H21 G 6 HN' G 6 6.453 12.193 12.935 66 H22 G 6 HN'' G 6 8.052 11.530 12.680 67 H5' A 7 H5' A 7 10.068 5.960 10.903 68 H5'' A 7 H5'' A 7 9.778 4.431 11.755 69 H4' A 7 H4' A 7 9.227 6.370 13.207 70 H3' A 7 H3' A 7 6.879 4.646 12.246 71 H2' A 7 H2' A 7 5.453 5.961 13.575 72 HO2' A 7 HO2' A 7 7.225 7.588 14.839 73 H1' A 7 H1' A 7 6.764 8.381 13.130 74 H8 A 7 H8 A 7 6.085 6.412 9.921 75 H61 A 7 HN' A 7 0.543 9.148 9.888 76 H62 A 7 HN'' A 7 1.670 8.153 8.993 77 H2 A 7 H2 A 7 2.520 10.066 13.810 78 H5' A 8 H5' A 8 6.448 5.078 16.281 79 H5'' A 8 H5'' A 8 5.971 3.607 17.144 80 H4' A 8 H4' A 8 4.408 5.373 17.736 81 H3' A 8 H3' A 8 3.298 3.238 15.861 82 H2' A 8 H2' A 8 1.227 4.331 16.019 83 HO2' A 8 HO2' A 8 1.702 6.224 17.896 84 H1' A 8 H1' A 8 2.229 6.945 16.206 85 H8 A 8 H8 A 8 3.617 4.923 13.269 86 H61 A 8 HN' A 8 -1.443 6.673 10.171 87 H62 A 8 HN'' A 8 0.105 5.866 10.067 88 H2 A 8 H2 A 8 -1.901 7.981 14.436 89 H5' A 9 H5' A 9 0.787 3.639 19.208 90 H5'' A 9 H5'' A 9 0.158 2.090 19.804 91 H4' A 9 H4' A 9 -1.711 3.653 19.465 92 H3' A 9 H3' A 9 -1.552 1.392 17.396 93 H2' A 9 H2' A 9 -3.516 2.198 16.426 94 HO2' A 9 HO2' A 9 -4.844 3.752 17.589 95 H1' A 9 H1' A 9 -3.042 4.916 16.948 96 H8 A 9 H8 A 9 -0.223 2.980 15.217 97 H61 A 9 HN' A 9 -3.189 4.133 9.921 98 H62 A 9 HN'' A 9 -1.739 3.484 10.653 99 H2 A 9 H2 A 9 -5.796 5.516 13.300 100 H5' C 10 H5' C 10 -5.397 1.528 18.810 101 H5'' C 10 H5'' C 10 -6.114 -0.068 19.102 102 H4' C 10 H4' C 10 -7.595 1.305 17.661 103 H3' C 10 H3' C 10 -6.226 -1.050 16.272 104 H2' C 10 H2' C 10 -7.376 -0.535 14.322 105 HO2' C 10 HO2' C 10 -9.134 1.285 15.554 106 H1' C 10 H1' C 10 -7.522 2.262 14.790 107 H41 C 10 HN' C 10 -3.764 1.058 9.754 108 H42 C 10 HN'' C 10 -2.492 0.514 10.827 109 H5 C 10 H5 C 10 -2.755 0.346 13.206 110 H6 C 10 H6 C 10 -4.292 0.649 15.086 111 H5' A 11 H5' A 11 -10.658 -1.092 16.218 112 H5'' A 11 H5'' A 11 -11.245 -2.717 16.634 113 H4' A 11 H4' A 11 -12.581 -1.759 14.781 114 H3' A 11 H3' A 11 -10.699 -4.055 14.088 115 H2' A 11 H2' A 11 -11.479 -4.020 11.884 116 HO2' A 11 HO2' A 11 -13.766 -3.811 12.771 117 H1' A 11 H1' A 11 -11.867 -1.245 11.736 118 H8 A 11 H8 A 11 -8.397 -2.134 13.002 119 H61 A 11 HN' A 11 -6.846 -3.108 7.091 120 H62 A 11 HN'' A 11 -6.256 -2.968 8.731 121 H2 A 11 H2 A 11 -11.285 -2.516 7.285 122 H5' A 12 H5' A 12 -13.201 -8.039 12.316 123 H5'' A 12 H5'' A 12 -11.710 -7.184 11.865 124 H4' A 12 H4' A 12 -14.401 -6.908 10.436 125 H3' A 12 H3' A 12 -11.894 -8.534 9.915 126 H2' A 12 H2' A 12 -11.978 -8.049 7.634 127 HO2' A 12 HO2' A 12 -13.844 -7.982 6.654 128 H1' A 12 H1' A 12 -12.876 -5.442 7.817 129 H8 A 12 H8 A 12 -10.058 -6.108 10.295 130 H61 A 12 HN' A 12 -6.169 -5.421 5.530 131 H62 A 12 HN'' A 12 -6.305 -5.604 7.264 132 H2 A 12 H2 A 12 -10.353 -5.482 3.917 133 H5' G 13 H5' G 13 -14.632 -9.620 7.029 134 H5'' G 13 H5'' G 13 -14.705 -11.364 6.719 135 H4' G 13 H4' G 13 -14.319 -10.166 4.601 136 H3' G 13 H3' G 13 -11.941 -11.710 5.708 137 H2' G 13 H2' G 13 -10.758 -11.198 3.738 138 HO2' G 13 HO2' G 13 -13.041 -10.009 2.546 139 H1' G 13 H1' G 13 -11.667 -8.589 3.530 140 H8 G 13 H8 G 13 -10.706 -9.625 7.079 141 H1 G 13 H1 G 13 -5.666 -8.177 3.397 142 H21 G 13 HN' G 13 -6.290 -7.870 1.321 143 H22 G 13 HN'' G 13 -7.954 -8.018 0.802 144 H5' G 14 H5' G 14 -12.373 -12.742 1.782 145 H5'' G 14 H5'' G 14 -12.233 -14.483 1.479 146 H4' G 14 H4' G 14 -10.748 -13.264 -0.056 147 H3' G 14 H3' G 14 -9.383 -14.777 2.216 148 H2' G 14 H2' G 14 -7.307 -14.253 1.263 149 HO2' G 14 HO2' G 14 -8.366 -13.068 -1.048 150 H1' G 14 H1' G 14 -8.009 -11.678 0.447 151 H8 G 14 H8 G 14 -9.027 -12.536 4.027 152 H1 G 14 H1 G 14 -2.818 -11.072 3.428 153 H21 G 14 HN' G 14 -2.277 -10.848 1.318 154 H22 G 14 HN'' G 14 -3.429 -11.064 0.019 155 H5' C 15 H5' C 15 -7.581 -16.006 -1.304 156 H5'' C 15 H5'' C 15 -7.348 -17.760 -1.378 157 H4' C 15 H4' C 15 -5.228 -16.658 -1.916 158 H3' C 15 H3' C 15 -5.382 -17.949 0.848 159 H2' C 15 H2' C 15 -3.096 -17.480 1.126 160 HO2' C 15 HO2' C 15 -2.870 -16.630 -1.574 161 H1' C 15 H1' C 15 -3.166 -14.995 -0.135 162 H41 C 15 HN' C 15 -2.848 -14.372 6.217 163 H42 C 15 HN'' C 15 -4.557 -14.725 6.349 164 H5 C 15 H5 C 15 -5.936 -15.298 4.470 165 H6 C 15 H6 C 15 -5.981 -15.687 2.053 166 H5' U 16 H5' U 16 -1.983 -19.480 -0.844 167 H5'' U 16 H5'' U 16 -1.791 -21.221 -0.572 168 H4' U 16 H4' U 16 0.247 -20.057 0.163 169 H3' U 16 H3' U 16 -1.545 -21.114 2.390 170 H2' U 16 H2' U 16 0.036 -20.425 3.965 171 HO2' U 16 HO2' U 16 2.165 -19.594 2.843 172 H1' U 16 H1' U 16 0.878 -18.131 2.580 173 H3 U 16 H3 U 16 -0.602 -16.933 6.727 174 H5 U 16 H5 U 16 -4.100 -17.969 4.619 175 H6 U 16 H6 U 16 -2.699 -18.676 2.771 176 H5' U 17 H5' U 17 1.548 -25.506 3.084 177 H5'' U 17 H5'' U 17 0.896 -25.194 4.706 178 H4' U 17 H4' U 17 3.321 -25.601 4.886 179 H3' U 17 H3' U 17 1.995 -23.515 6.019 180 H2' U 17 H2' U 17 2.412 -21.842 4.440 181 HO2' U 17 HO2' U 17 3.769 -20.550 5.433 182 H1' U 17 H1' U 17 5.195 -22.712 3.805 183 H3 U 17 H3 U 17 4.624 -19.274 0.874 184 H5 U 17 H5 U 17 1.946 -22.260 -0.416 185 H6 U 17 H6 U 17 2.426 -23.484 1.624 186 H5' C 18 H5' C 18 5.101 -21.562 6.987 187 H5'' C 18 H5'' C 18 5.553 -21.580 8.703 188 H4' C 18 H4' C 18 5.201 -19.249 7.855 189 H3' C 18 H3' C 18 4.395 -20.344 10.209 190 H2' C 18 H2' C 18 2.113 -20.631 9.722 191 HO2' C 18 HO2' C 18 2.233 -19.003 11.355 192 H1' C 18 H1' C 18 2.052 -18.116 8.070 193 H41 C 18 HN' C 18 -3.551 -20.633 6.519 194 H42 C 18 HN'' C 18 -2.733 -21.918 5.656 195 H5 C 18 H5 C 18 -0.355 -22.239 5.712 196 H6 C 18 H6 C 18 1.772 -21.384 6.580 197 H5' G 19 H5' G 19 7.171 -18.281 10.405 198 H5'' G 19 H5'' G 19 7.761 -17.447 11.852 199 H4' G 19 H4' G 19 9.042 -16.144 10.523 200 H3' G 19 H3' G 19 6.273 -15.287 9.681 201 H2' G 19 H2' G 19 7.040 -14.399 7.707 202 HO2' G 19 HO2' G 19 8.491 -12.900 7.969 203 H1' G 19 H1' G 19 9.565 -15.805 7.616 204 H8 G 19 H8 G 19 9.601 -16.747 5.228 205 H1 G 19 H1 G 19 3.209 -16.920 4.860 206 H21 G 19 HN' G 19 2.306 -16.372 6.786 207 H22 G 19 HN'' G 19 3.261 -15.943 8.188 208 H5' G 20 H5' G 20 6.891 -10.155 8.548 209 H5'' G 20 H5'' G 20 5.516 -11.224 8.897 210 H4' G 20 H4' G 20 7.476 -11.663 6.600 211 H3' G 20 H3' G 20 4.867 -10.117 6.846 212 H2' G 20 H2' G 20 4.069 -10.990 4.837 213 HO2' G 20 HO2' G 20 5.793 -12.368 3.611 214 H1' G 20 H1' G 20 5.061 -13.549 5.068 215 H8 G 20 H8 G 20 3.551 -12.230 8.324 216 H1 G 20 H1 G 20 -0.802 -14.396 4.148 217 H21 G 20 HN' G 20 0.141 -14.836 2.217 218 H22 G 20 HN'' G 20 1.851 -14.601 1.925 219 H5' C 21 H5' C 21 6.028 -9.412 2.962 220 H5'' C 21 H5'' C 21 5.996 -7.680 2.579 221 H4' C 21 H4' C 21 4.695 -8.895 0.889 222 H3' C 21 H3' C 21 3.113 -7.309 2.954 223 H2' C 21 H2' C 21 1.126 -7.833 1.856 224 HO2' C 21 HO2' C 21 1.753 -9.091 -0.362 225 H1' C 21 H1' C 21 1.902 -10.409 1.039 226 H41 C 21 HN' C 21 -2.450 -10.698 5.725 227 H42 C 21 HN'' C 21 -1.223 -10.284 6.902 228 H5 C 21 H5 C 21 1.044 -9.759 6.318 229 H6 C 21 H6 C 21 2.639 -9.494 4.478 230 H5' C 22 H5' C 22 1.719 -6.113 -0.758 231 H5'' C 22 H5'' C 22 1.530 -4.356 -0.881 232 H4' C 22 H4' C 22 -0.551 -5.426 -1.594 233 H3' C 22 H3' C 22 -0.617 -3.969 1.086 234 H2' C 22 H2' C 22 -2.833 -4.546 1.369 235 HO2' C 22 HO2' C 22 -2.871 -4.801 -1.469 236 H1' C 22 H1' C 22 -2.798 -6.968 -0.107 237 H41 C 22 HN' C 22 -3.916 -8.288 6.029 238 H42 C 22 HN'' C 22 -2.242 -7.960 6.421 239 H5 C 22 H5 C 22 -0.641 -7.165 4.818 240 H6 C 22 H6 C 22 -0.290 -6.491 2.490 241 H5' U 23 H5' U 23 -3.976 -2.975 -0.763 242 H5'' U 23 H5'' U 23 -3.904 -1.289 -1.307 243 H4' U 23 H4' U 23 -6.167 -1.864 -0.439 244 H3' U 23 H3' U 23 -4.492 0.104 1.226 245 H2' U 23 H2' U 23 -6.364 0.414 2.611 246 HO2' U 23 HO2' U 23 -8.189 -1.121 1.250 247 H1' U 23 H1' U 23 -7.224 -2.236 2.534 248 H3 U 23 H3 U 23 -6.177 -0.853 6.801 249 H5 U 23 H5 U 23 -2.490 -1.772 4.980 250 H6 U 23 H6 U 23 -3.672 -2.069 2.884 251 H5' G 24 H5' G 24 -8.228 1.738 0.471 252 H5'' G 24 H5'' G 24 -8.229 3.500 0.241 253 H4' G 24 H4' G 24 -9.784 2.854 2.060 254 H3' G 24 H3' G 24 -7.268 4.333 2.991 255 H2' G 24 H2' G 24 -8.198 4.329 5.159 256 HO2' G 24 HO2' G 24 -10.630 3.635 3.839 257 H1' G 24 H1' G 24 -9.233 1.763 5.023 258 H8 G 24 H8 G 24 -5.668 2.133 3.661 259 H1 G 24 H1 G 24 -6.033 1.809 10.053 260 H21 G 24 HN' G 24 -8.144 1.846 10.694 261 H22 G 24 HN'' G 24 -9.469 1.961 9.557 262 H5' C 25 H5' C 25 -10.629 6.067 4.620 263 H5'' C 25 H5'' C 25 -10.595 7.843 4.670 264 H4' C 25 H4' C 25 -11.113 6.918 6.909 265 H3' C 25 H3' C 25 -8.365 8.240 6.621 266 H2' C 25 H2' C 25 -8.084 7.946 8.935 267 HO2' C 25 HO2' C 25 -9.955 7.105 10.186 268 H1' C 25 H1' C 25 -9.197 5.410 9.046 269 H41 C 25 HN' C 25 -2.820 4.966 8.971 270 H42 C 25 HN'' C 25 -2.806 5.236 7.242 271 H5 C 25 H5 C 25 -4.785 5.708 5.964 272 H6 C 25 H6 C 25 -7.210 6.047 6.059 273 H5' U 26 H5' U 26 -10.219 9.814 9.818 274 H5'' U 26 H5'' U 26 -10.003 11.562 10.012 275 H4' U 26 H4' U 26 -9.383 10.413 12.099 276 H3' U 26 H3' U 26 -7.078 11.608 10.497 277 H2' U 26 H2' U 26 -5.655 11.075 12.275 278 HO2' U 26 HO2' U 26 -7.243 10.030 14.142 279 H1' U 26 H1' U 26 -6.832 8.623 12.862 280 H3 U 26 H3 U 26 -2.531 7.902 11.554 281 H5 U 26 H5 U 26 -4.527 8.971 8.001 282 H6 U 26 H6 U 26 -6.512 9.413 9.324 283 H5' U 27 H5' U 27 -6.863 12.868 14.296 284 H5'' U 27 H5'' U 27 -6.413 14.568 14.510 285 H4' U 27 H4' U 27 -4.940 13.153 15.873 286 H3' U 27 H3' U 27 -3.640 14.447 13.423 287 H2' U 27 H2' U 27 -1.584 13.623 14.194 288 HO2' U 27 HO2' U 27 -2.958 13.261 16.672 289 H1' U 27 H1' U 27 -2.570 11.184 15.117 290 H3 U 27 H3 U 27 0.440 10.340 11.815 291 H5 U 27 H5 U 27 -2.940 11.830 9.789 292 H6 U 27 H6 U 27 -3.951 12.292 11.945 293 H5' U 28 H5' U 28 -1.432 15.385 16.734 294 H5'' U 28 H5'' U 28 -0.730 17.013 16.713 295 H4' U 28 H4' U 28 1.053 15.355 17.064 296 H3' U 28 H3' U 28 1.022 16.695 14.328 297 H2' U 28 H2' U 28 3.067 15.637 13.880 298 HO2' U 28 HO2' U 28 3.402 14.394 16.330 299 H1' U 28 H1' U 28 2.387 13.214 15.044 300 H3 U 28 H3 U 28 2.990 12.605 10.565 301 H5 U 28 H5 U 28 -0.647 14.714 10.847 302 H6 U 28 H6 U 28 -0.283 14.895 13.237 303 H5' U 29 H5' U 29 4.716 17.114 16.214 304 H5'' U 29 H5'' U 29 5.471 18.694 15.939 305 H4' U 29 H4' U 29 7.097 16.934 15.434 306 H3' U 29 H3' U 29 5.969 18.404 13.012 307 H2' U 29 H2' U 29 7.533 17.259 11.698 308 HO2' U 29 HO2' U 29 8.780 16.584 14.181 309 H1' U 29 H1' U 29 7.255 14.817 12.981 310 H3 U 29 H3 U 29 5.745 14.406 8.698 311 H5 U 29 H5 U 29 2.772 16.682 10.630 312 H6 U 29 H6 U 29 4.181 16.730 12.603 313 H5' G 30 H5' G 30 10.023 18.565 12.931 314 H5'' G 30 H5'' G 30 10.673 20.138 12.442 315 H4' G 30 H4' G 30 11.684 18.397 11.055 316 H3' G 30 H3' G 30 9.620 20.170 9.657 317 H2' G 30 H2' G 30 10.150 19.083 7.654 318 HO2' G 30 HO2' G 30 12.066 17.832 7.443 319 H1' G 30 H1' G 30 10.617 16.554 8.789 320 H8 G 30 H8 G 30 7.307 18.151 9.822 321 H1 G 30 H1 G 30 7.170 15.393 4.039 322 H21 G 30 HN' G 30 9.189 14.784 3.431 323 H22 G 30 HN'' G 30 10.597 15.053 4.434 324 H5' C 31 H5' C 31 12.952 20.248 7.329 325 H5'' C 31 H5'' C 31 13.329 21.853 6.680 326 H4' C 31 H4' C 31 13.215 20.243 4.832 327 H3' C 31 H3' C 31 10.887 22.205 5.033 328 H2' C 31 H2' C 31 10.041 21.355 3.028 329 HO2' C 31 HO2' C 31 12.654 20.268 2.653 330 H1' C 31 H1' C 31 10.823 18.699 3.471 331 H41 C 31 HN' C 31 4.498 19.288 4.200 332 H42 C 31 HN'' C 31 4.742 19.988 5.785 333 H5 C 31 H5 C 31 6.906 20.466 6.698 334 H6 C 31 H6 C 31 9.318 20.393 6.298 335 H5' U 32 H5' U 32 12.277 22.341 1.207 336 H5'' U 32 H5'' U 32 12.466 23.989 0.584 337 H4' U 32 H4' U 32 11.185 22.642 -1.022 338 H3' U 32 H3' U 32 9.680 24.764 0.555 339 HO3' U 32 H3T U 32 9.702 25.562 -1.789 340 H2' U 32 H2' U 32 7.704 24.243 -0.514 341 HO2' U 32 HO2' U 32 7.641 23.799 -2.591 342 H1' U 32 H1' U 32 8.285 21.507 -1.005 343 H3 U 32 H3 U 32 4.231 21.610 1.052 344 H5 U 32 H5 U 32 6.940 22.831 4.040 345 H6 U 32 H6 U 32 8.696 22.810 2.368 346 H7 0EC 101 H7 LIG 33 -2.417 -4.003 10.694 347 H10 0EC 101 H10 LIG 33 -2.257 -5.780 6.197 348 HN14 0EC 101 H14 LIG 33 1.548 1.762 9.666 349 H12 0EC 101 H121 LIG 33 0.164 -0.451 10.129 350 H12A 0EC 101 H122 LIG 33 -1.569 -0.338 9.779 351 H13 0EC 101 H131 LIG 33 -1.221 1.867 8.737 352 H13A 0EC 101 H132 LIG 33 -0.680 1.865 10.438 353 HN5 0EC 101 H52 LIG 33 -0.540 -4.924 5.250 354 H15 0EC 101 H152 LIG 33 1.912 1.702 7.337 355 HN5A 0EC 101 H51 LIG 33 -1.278 -3.561 4.448 356 H15A 0EC 101 H151 LIG 33 0.143 1.779 7.105 357 H16 0EC 101 H162 LIG 33 1.646 -0.537 8.370 358 H16A 0EC 101 H161 LIG 33 0.981 -0.505 6.727 359 H8A 0EC 101 H81 LIG 33 -6.390 -4.909 9.920 360 H8AA 0EC 101 H83 LIG 33 -5.083 -3.709 9.945 361 H8AB 0EC 101 H82 LIG 33 -5.409 -4.641 8.467 362 H9A 0EC 101 H91 LIG 33 -4.913 -8.609 7.801 363 H9AA 0EC 101 H93 LIG 33 -5.149 -7.150 8.784 364 H9AB 0EC 101 H92 LIG 33 -5.032 -7.024 7.011 Start of MODEL 6 1 H5' G 1 H5' G 1 -11.780 15.624 2.670 2 H5'' G 1 H5'' G 1 -11.485 17.377 2.738 3 H4' G 1 H4' G 1 -9.358 16.111 2.763 4 H3' G 1 H3' G 1 -10.088 17.577 0.193 5 H2' G 1 H2' G 1 -8.062 16.946 -0.764 6 HO2' G 1 HO2' G 1 -6.278 16.838 0.386 7 H1' G 1 H1' G 1 -7.835 14.463 0.552 8 H8 G 1 H8 G 1 -11.068 15.239 -1.384 9 H1 G 1 H1 G 1 -6.271 13.053 -5.029 10 H21 G 1 HN' G 1 -4.440 12.836 -3.838 11 H22 G 1 HN'' G 1 -4.369 13.242 -2.134 12 HO5' G 1 H5T G 1 -11.920 15.957 0.315 13 H5' A 2 H5' A 2 -8.748 21.110 -1.416 14 H5'' A 2 H5'' A 2 -8.806 19.397 -1.874 15 H4' A 2 H4' A 2 -7.215 20.608 -3.331 16 H3' A 2 H3' A 2 -6.042 18.692 -1.275 17 H2' A 2 H2' A 2 -3.902 19.098 -2.113 18 HO2' A 2 HO2' A 2 -5.225 19.440 -4.444 19 H1' A 2 H1' A 2 -4.256 21.809 -2.604 20 H8 A 2 H8 A 2 -5.540 20.622 0.806 21 H61 A 2 HN' A 2 0.320 21.017 2.757 22 H62 A 2 HN'' A 2 -1.340 20.736 3.231 23 H2 A 2 H2 A 2 0.275 21.739 -1.667 24 H5' G 3 H5' G 3 -4.364 17.864 -4.928 25 H5'' G 3 H5'' G 3 -4.250 16.129 -5.283 26 H4' G 3 H4' G 3 -2.054 17.192 -5.629 27 H3' G 3 H3' G 3 -2.279 15.415 -3.148 28 H2' G 3 H2' G 3 0.022 15.702 -2.801 29 HO2' G 3 HO2' G 3 0.012 16.253 -5.554 30 H1' G 3 H1' G 3 0.093 18.369 -3.649 31 H8 G 3 H8 G 3 -2.681 17.549 -1.150 32 H1 G 3 H1 G 3 3.077 18.360 1.546 33 H21 G 3 HN' G 3 4.626 18.557 0.002 34 H22 G 3 HN'' G 3 4.267 18.479 -1.709 35 H5' U 4 H5' U 4 0.964 14.212 -5.242 36 H5'' U 4 H5'' U 4 1.211 12.457 -5.286 37 H4' U 4 H4' U 4 3.259 13.555 -4.480 38 H3' U 4 H3' U 4 1.662 12.030 -2.372 39 H2' U 4 H2' U 4 3.449 12.383 -0.887 40 HO2' U 4 HO2' U 4 5.470 13.222 -1.650 41 H1' U 4 H1' U 4 3.964 14.990 -1.712 42 H3 U 4 H3 U 4 2.646 15.072 2.647 43 H5 U 4 H5 U 4 -0.881 14.218 0.507 44 H6 U 4 H6 U 4 0.453 14.084 -1.513 45 H5' A 5 H5' A 5 5.640 10.595 -2.622 46 H5'' A 5 H5'' A 5 5.745 8.839 -2.401 47 H4' A 5 H4' A 5 7.369 9.946 -0.925 48 H3' A 5 H3' A 5 4.918 8.814 0.459 49 H2' A 5 H2' A 5 5.988 9.241 2.505 50 HO2' A 5 HO2' A 5 8.344 10.270 1.897 51 H1' A 5 H1' A 5 7.034 11.702 1.705 52 H8 A 5 H8 A 5 3.365 11.075 0.755 53 H61 A 5 HN' A 5 1.889 12.898 6.459 54 H62 A 5 HN'' A 5 1.287 12.423 4.887 55 H2 A 5 H2 A 5 6.369 12.666 6.201 56 H5' G 6 H5' G 6 8.423 7.288 2.028 57 H5'' G 6 H5'' G 6 8.340 5.571 2.461 58 H4' G 6 H4' G 6 9.200 6.891 4.365 59 H3' G 6 H3' G 6 6.386 5.781 4.694 60 H2' G 6 H2' G 6 6.355 6.581 6.879 61 HO2' G 6 HO2' G 6 8.907 7.440 7.227 62 H1' G 6 H1' G 6 7.945 8.864 6.362 63 H8 G 6 H8 G 6 4.856 8.374 4.149 64 H1 G 6 H1 G 6 3.544 10.832 9.924 65 H21 G 6 HN' G 6 5.341 10.832 11.186 66 H22 G 6 HN'' G 6 6.884 10.220 10.630 67 H5' A 7 H5' A 7 8.614 4.945 7.905 68 H5'' A 7 H5'' A 7 8.442 3.313 8.581 69 H4' A 7 H4' A 7 8.112 5.037 10.339 70 H3' A 7 H3' A 7 5.634 3.430 9.505 71 H2' A 7 H2' A 7 4.428 4.543 11.187 72 HO2' A 7 HO2' A 7 6.148 6.043 12.494 73 H1' A 7 H1' A 7 5.702 7.011 10.891 74 H8 A 7 H8 A 7 4.511 5.499 7.585 75 H61 A 7 HN' A 7 -0.919 8.205 8.762 76 H62 A 7 HN'' A 7 0.041 7.343 7.581 77 H2 A 7 H2 A 7 1.641 8.581 12.427 78 H5' A 8 H5' A 8 5.800 3.313 13.585 79 H5'' A 8 H5'' A 8 5.442 1.733 14.300 80 H4' A 8 H4' A 8 3.999 3.384 15.351 81 H3' A 8 H3' A 8 2.604 1.522 13.377 82 H2' A 8 H2' A 8 0.591 2.560 13.983 83 HO2' A 8 HO2' A 8 2.025 3.307 16.317 84 H1' A 8 H1' A 8 1.646 5.130 14.408 85 H8 A 8 H8 A 8 2.537 3.577 11.026 86 H61 A 8 HN' A 8 -2.904 5.739 9.033 87 H62 A 8 HN'' A 8 -1.404 4.966 8.574 88 H2 A 8 H2 A 8 -2.688 6.392 13.464 89 H5' A 9 H5' A 9 0.627 1.387 17.106 90 H5'' A 9 H5'' A 9 0.093 -0.247 17.551 91 H4' A 9 H4' A 9 -1.801 1.308 17.752 92 H3' A 9 H3' A 9 -1.973 -0.602 15.356 93 H2' A 9 H2' A 9 -4.059 0.302 14.833 94 HO2' A 9 HO2' A 9 -5.277 1.493 16.363 95 H1' A 9 H1' A 9 -3.506 2.916 15.705 96 H8 A 9 H8 A 9 -1.005 1.334 13.267 97 H61 A 9 HN' A 9 -4.758 3.265 8.755 98 H62 A 9 HN'' A 9 -3.216 2.534 9.137 99 H2 A 9 H2 A 9 -6.791 4.045 12.678 100 H5' C 10 H5' C 10 -5.552 -0.779 17.366 101 H5'' C 10 H5'' C 10 -6.215 -2.418 17.507 102 H4' C 10 H4' C 10 -7.905 -0.870 16.556 103 H3' C 10 H3' C 10 -6.781 -2.942 14.602 104 H2' C 10 H2' C 10 -8.239 -2.148 12.977 105 HO2' C 10 HO2' C 10 -9.788 -0.497 14.572 106 H1' C 10 H1' C 10 -8.286 0.534 13.899 107 H41 C 10 HN' C 10 -5.383 0.210 8.208 108 H42 C 10 HN'' C 10 -3.962 -0.478 8.965 109 H5 C 10 H5 C 10 -3.846 -1.028 11.298 110 H6 C 10 H6 C 10 -5.062 -1.052 13.421 111 H5' A 11 H5' A 11 -11.168 -3.117 15.252 112 H5'' A 11 H5'' A 11 -11.648 -4.807 15.527 113 H4' A 11 H4' A 11 -13.298 -3.650 14.079 114 H3' A 11 H3' A 11 -11.545 -5.772 12.762 115 H2' A 11 H2' A 11 -12.693 -5.460 10.751 116 HO2' A 11 HO2' A 11 -14.711 -4.263 12.377 117 H1' A 11 H1' A 11 -13.150 -2.706 11.076 118 H8 A 11 H8 A 11 -9.495 -3.658 11.541 119 H61 A 11 HN' A 11 -9.060 -3.656 5.368 120 H62 A 11 HN'' A 11 -8.178 -3.755 6.875 121 H2 A 11 H2 A 11 -13.389 -3.243 6.458 122 H5' A 12 H5' A 12 -14.346 -9.547 10.931 123 H5'' A 12 H5'' A 12 -12.967 -8.603 10.327 124 H4' A 12 H4' A 12 -15.882 -8.214 9.484 125 H3' A 12 H3' A 12 -13.512 -9.673 8.283 126 H2' A 12 H2' A 12 -14.013 -8.875 6.149 127 HO2' A 12 HO2' A 12 -16.337 -7.564 6.481 128 H1' A 12 H1' A 12 -14.868 -6.346 6.855 129 H8 A 12 H8 A 12 -11.653 -7.273 8.681 130 H61 A 12 HN' A 12 -8.674 -5.820 3.454 131 H62 A 12 HN'' A 12 -8.499 -6.248 5.141 132 H2 A 12 H2 A 12 -13.078 -5.771 2.609 133 H5' G 13 H5' G 13 -16.712 -10.410 5.816 134 H5'' G 13 H5'' G 13 -16.838 -12.087 5.258 135 H4' G 13 H4' G 13 -16.820 -10.567 3.317 136 H3' G 13 H3' G 13 -14.300 -12.217 3.750 137 H2' G 13 H2' G 13 -13.462 -11.381 1.715 138 HO2' G 13 HO2' G 13 -16.101 -11.237 1.097 139 H1' G 13 H1' G 13 -14.368 -8.789 2.071 140 H8 G 13 H8 G 13 -12.843 -10.356 5.205 141 H1 G 13 H1 G 13 -8.470 -8.247 1.023 142 H21 G 13 HN' G 13 -9.426 -7.626 -0.845 143 H22 G 13 HN'' G 13 -11.155 -7.720 -1.100 144 H5' G 14 H5' G 14 -15.404 -12.621 -0.156 145 H5'' G 14 H5'' G 14 -15.333 -14.288 -0.755 146 H4' G 14 H4' G 14 -14.122 -12.809 -2.304 147 H3' G 14 H3' G 14 -12.407 -14.644 -0.569 148 H2' G 14 H2' G 14 -10.516 -13.937 -1.758 149 HO2' G 14 HO2' G 14 -12.387 -13.484 -3.748 150 H1' G 14 H1' G 14 -11.321 -11.278 -2.024 151 H8 G 14 H8 G 14 -11.722 -12.718 1.492 152 H1 G 14 H1 G 14 -5.696 -11.046 0.095 153 H21 G 14 HN' G 14 -5.521 -10.476 -2.011 154 H22 G 14 HN'' G 14 -6.879 -10.505 -3.115 155 H5' C 15 H5' C 15 -11.241 -15.267 -4.498 156 H5'' C 15 H5'' C 15 -11.048 -16.985 -4.889 157 H4' C 15 H4' C 15 -9.035 -15.783 -5.594 158 H3' C 15 H3' C 15 -8.740 -17.494 -3.081 159 H2' C 15 H2' C 15 -6.435 -17.048 -3.118 160 HO2' C 15 HO2' C 15 -6.887 -16.841 -5.803 161 H1' C 15 H1' C 15 -6.679 -14.398 -3.958 162 H41 C 15 HN' C 15 -5.257 -14.746 2.261 163 H42 C 15 HN'' C 15 -6.921 -15.137 2.633 164 H5 C 15 H5 C 15 -8.613 -15.436 0.956 165 H6 C 15 H6 C 15 -9.082 -15.453 -1.447 166 H5' U 16 H5' U 16 -5.695 -18.712 -5.537 167 H5'' U 16 H5'' U 16 -5.496 -20.473 -5.576 168 H4' U 16 H4' U 16 -3.340 -19.432 -5.020 169 H3' U 16 H3' U 16 -4.766 -20.823 -2.713 170 H2' U 16 H2' U 16 -2.931 -20.384 -1.336 171 HO2' U 16 HO2' U 16 -1.006 -19.371 -2.680 172 H1' U 16 H1' U 16 -2.278 -17.900 -2.471 173 H3 U 16 H3 U 16 -3.037 -17.352 1.993 174 H5 U 16 H5 U 16 -6.852 -18.088 0.361 175 H6 U 16 H6 U 16 -5.787 -18.494 -1.779 176 H5' U 17 H5' U 17 -1.650 -25.201 -3.346 177 H5'' U 17 H5'' U 17 -2.019 -25.276 -1.610 178 H4' U 17 H4' U 17 0.402 -25.599 -1.913 179 H3' U 17 H3' U 17 -0.739 -23.831 -0.169 180 H2' U 17 H2' U 17 -0.560 -21.858 -1.412 181 HO2' U 17 HO2' U 17 0.766 -20.967 -0.039 182 H1' U 17 H1' U 17 2.089 -22.528 -2.623 183 H3 U 17 H3 U 17 1.176 -18.535 -4.616 184 H5 U 17 H5 U 17 -1.723 -21.194 -6.123 185 H6 U 17 H6 U 17 -0.981 -22.831 -4.491 186 H5' C 18 H5' C 18 2.643 -22.063 0.542 187 H5'' C 18 H5'' C 18 3.344 -22.343 2.148 188 H4' C 18 H4' C 18 2.975 -19.899 1.662 189 H3' C 18 H3' C 18 2.576 -21.270 3.966 190 H2' C 18 H2' C 18 0.233 -21.464 3.882 191 HO2' C 18 HO2' C 18 0.860 -19.959 5.621 192 H1' C 18 H1' C 18 -0.041 -18.749 2.614 193 H41 C 18 HN' C 18 -5.920 -20.956 1.792 194 H42 C 18 HN'' C 18 -5.316 -22.166 0.680 195 H5 C 18 H5 C 18 -2.978 -22.547 0.288 196 H6 C 18 H6 C 18 -0.701 -21.836 0.850 197 H5' G 19 H5' G 19 5.396 -19.144 3.862 198 H5'' G 19 H5'' G 19 6.256 -18.530 5.285 199 H4' G 19 H4' G 19 7.265 -17.012 3.950 200 H3' G 19 H3' G 19 4.392 -16.084 3.827 201 H2' G 19 H2' G 19 4.770 -14.861 1.919 202 HO2' G 19 HO2' G 19 6.237 -13.385 2.290 203 H1' G 19 H1' G 19 7.203 -16.189 1.100 204 H8 G 19 H8 G 19 6.751 -16.701 -1.373 205 H1 G 19 H1 G 19 0.413 -16.970 -0.492 206 H21 G 19 HN' G 19 -0.082 -16.779 1.640 207 H22 G 19 HN'' G 19 1.137 -16.571 2.877 208 H5' G 20 H5' G 20 4.815 -10.819 3.500 209 H5'' G 20 H5'' G 20 3.527 -11.971 3.909 210 H4' G 20 H4' G 20 5.006 -11.956 1.241 211 H3' G 20 H3' G 20 2.513 -10.525 2.239 212 H2' G 20 H2' G 20 1.345 -11.043 0.290 213 HO2' G 20 HO2' G 20 2.304 -11.186 -1.608 214 H1' G 20 H1' G 20 2.331 -13.583 -0.123 215 H8 G 20 H8 G 20 1.441 -12.854 3.529 216 H1 G 20 H1 G 20 -3.597 -14.436 -0.104 217 H21 G 20 HN' G 20 -3.017 -14.538 -2.217 218 H22 G 20 HN'' G 20 -1.386 -14.214 -2.765 219 H5' C 21 H5' C 21 2.957 -9.154 -1.600 220 H5'' C 21 H5'' C 21 2.882 -7.384 -1.686 221 H4' C 21 H4' C 21 1.281 -8.329 -3.289 222 H3' C 21 H3' C 21 0.113 -7.119 -0.749 223 H2' C 21 H2' C 21 -2.043 -7.492 -1.547 224 HO2' C 21 HO2' C 21 -2.546 -7.551 -3.661 225 H1' C 21 H1' C 21 -1.453 -9.885 -2.905 226 H41 C 21 HN' C 21 -4.946 -11.018 2.339 227 H42 C 21 HN'' C 21 -3.531 -10.786 3.342 228 H5 C 21 H5 C 21 -1.393 -10.127 2.478 229 H6 C 21 H6 C 21 -0.132 -9.534 0.463 230 H5' C 22 H5' C 22 -1.894 -5.370 -3.919 231 H5'' C 22 H5'' C 22 -2.074 -3.618 -3.729 232 H4' C 22 H4' C 22 -4.264 -4.590 -4.228 233 H3' C 22 H3' C 22 -3.844 -3.563 -1.384 234 H2' C 22 H2' C 22 -5.982 -4.211 -0.812 235 HO2' C 22 HO2' C 22 -6.655 -4.333 -3.585 236 H1' C 22 H1' C 22 -6.242 -6.368 -2.638 237 H41 C 22 HN' C 22 -6.324 -8.662 3.308 238 H42 C 22 HN'' C 22 -4.604 -8.376 3.460 239 H5 C 22 H5 C 22 -3.287 -7.310 1.759 240 H6 C 22 H6 C 22 -3.325 -6.272 -0.458 241 H5' U 23 H5' U 23 -7.461 -2.338 -2.452 242 H5'' U 23 H5'' U 23 -7.439 -0.593 -2.770 243 H4' U 23 H4' U 23 -9.541 -1.287 -1.622 244 H3' U 23 H3' U 23 -7.580 0.455 -0.013 245 H2' U 23 H2' U 23 -9.197 0.574 1.686 246 HO2' U 23 HO2' U 23 -10.993 -0.284 -0.349 247 H1' U 23 H1' U 23 -10.110 -2.046 1.399 248 H3 U 23 H3 U 23 -8.392 -1.270 5.596 249 H5 U 23 H5 U 23 -5.042 -1.861 3.109 250 H6 U 23 H6 U 23 -6.540 -1.882 1.204 251 H5' G 24 H5' G 24 -11.347 2.187 0.064 252 H5'' G 24 H5'' G 24 -11.341 3.965 0.078 253 H4' G 24 H4' G 24 -12.588 3.076 2.027 254 H3' G 24 H3' G 24 -9.920 4.415 2.710 255 H2' G 24 H2' G 24 -10.473 4.116 4.984 256 HO2' G 24 HO2' G 24 -12.947 2.989 4.734 257 H1' G 24 H1' G 24 -11.558 1.588 4.687 258 H8 G 24 H8 G 24 -8.283 2.154 2.776 259 H1 G 24 H1 G 24 -7.522 0.976 9.031 260 H21 G 24 HN' G 24 -9.485 0.917 10.035 261 H22 G 24 HN'' G 24 -10.987 1.176 9.177 262 H5' C 25 H5' C 25 -12.929 5.897 5.101 263 H5'' C 25 H5'' C 25 -12.851 7.649 5.393 264 H4' C 25 H4' C 25 -13.011 6.415 7.535 265 H3' C 25 H3' C 25 -10.323 7.775 6.982 266 H2' C 25 H2' C 25 -9.670 7.160 9.154 267 HO2' C 25 HO2' C 25 -12.181 6.086 9.838 268 H1' C 25 H1' C 25 -10.798 4.629 9.092 269 H41 C 25 HN' C 25 -4.532 4.223 7.896 270 H42 C 25 HN'' C 25 -4.797 4.742 6.246 271 H5 C 25 H5 C 25 -6.949 5.385 5.394 272 H6 C 25 H6 C 25 -9.318 5.697 5.938 273 H5' U 26 H5' U 26 -11.581 8.882 10.629 274 H5'' U 26 H5'' U 26 -11.295 10.585 11.025 275 H4' U 26 H4' U 26 -10.354 9.154 12.793 276 H3' U 26 H3' U 26 -8.331 10.566 10.998 277 H2' U 26 H2' U 26 -6.636 9.791 12.411 278 HO2' U 26 HO2' U 26 -8.240 8.583 14.321 279 H1' U 26 H1' U 26 -7.755 7.281 12.854 280 H3 U 26 H3 U 26 -3.754 6.742 10.750 281 H5 U 26 H5 U 26 -6.291 8.297 7.766 282 H6 U 26 H6 U 26 -8.014 8.554 9.454 283 H5' U 27 H5' U 27 -7.436 11.283 14.839 284 H5'' U 27 H5'' U 27 -6.921 12.939 15.202 285 H4' U 27 H4' U 27 -5.264 11.355 16.081 286 H3' U 27 H3' U 27 -4.383 12.975 13.638 287 H2' U 27 H2' U 27 -2.242 12.062 13.918 288 HO2' U 27 HO2' U 27 -2.000 10.671 15.966 289 H1' U 27 H1' U 27 -3.105 9.519 14.680 290 H3 U 27 H3 U 27 -0.707 9.112 10.837 291 H5 U 27 H5 U 27 -4.346 10.850 9.617 292 H6 U 27 H6 U 27 -4.972 11.028 11.953 293 H5' U 28 H5' U 28 -1.605 13.458 16.580 294 H5'' U 28 H5'' U 28 -0.889 15.079 16.660 295 H4' U 28 H4' U 28 0.897 13.400 16.444 296 H3' U 28 H3' U 28 0.391 15.110 13.971 297 H2' U 28 H2' U 28 2.303 14.144 13.016 298 HO2' U 28 HO2' U 28 3.807 12.981 14.225 299 H1' U 28 H1' U 28 1.812 11.577 13.955 300 H3 U 28 H3 U 28 1.618 11.570 9.399 301 H5 U 28 H5 U 28 -1.889 13.581 10.586 302 H6 U 28 H6 U 28 -1.110 13.451 12.879 303 H5' U 29 H5' U 29 4.382 15.326 15.254 304 H5'' U 29 H5'' U 29 5.088 16.941 15.063 305 H4' U 29 H4' U 29 6.604 15.291 14.080 306 H3' U 29 H3' U 29 5.090 17.022 12.078 307 H2' U 29 H2' U 29 6.412 16.080 10.393 308 HO2' U 29 HO2' U 29 8.023 14.823 12.389 309 H1' U 29 H1' U 29 6.361 13.494 11.399 310 H3 U 29 H3 U 29 4.180 13.556 7.395 311 H5 U 29 H5 U 29 1.549 15.518 10.038 312 H6 U 29 H6 U 29 3.259 15.366 11.751 313 H5' G 30 H5' G 30 9.072 17.275 11.351 314 H5'' G 30 H5'' G 30 9.633 18.910 10.962 315 H4' G 30 H4' G 30 10.400 17.374 9.223 316 H3' G 30 H3' G 30 8.133 19.261 8.410 317 H2' G 30 H2' G 30 8.325 18.437 6.230 318 HO2' G 30 HO2' G 30 10.171 17.422 5.477 319 H1' G 30 H1' G 30 8.983 15.800 6.954 320 H8 G 30 H8 G 30 5.878 17.174 8.694 321 H1 G 30 H1 G 30 4.817 15.145 2.708 322 H21 G 30 HN' G 30 6.713 14.667 1.713 323 H22 G 30 HN'' G 30 8.264 14.848 2.502 324 H5' C 31 H5' C 31 11.066 19.692 5.609 325 H5'' C 31 H5'' C 31 11.330 21.373 5.112 326 H4' C 31 H4' C 31 10.940 19.996 3.119 327 H3' C 31 H3' C 31 8.657 21.860 3.911 328 H2' C 31 H2' C 31 7.518 21.235 1.970 329 HO2' C 31 HO2' C 31 9.418 19.687 0.754 330 H1' C 31 H1' C 31 8.388 18.567 1.955 331 H41 C 31 HN' C 31 2.238 18.872 3.679 332 H42 C 31 HN'' C 31 2.709 19.385 5.284 333 H5 C 31 H5 C 31 4.981 19.814 5.919 334 H6 C 31 H6 C 31 7.306 19.862 5.161 335 H5' U 32 H5' U 32 9.450 22.505 -0.038 336 H5'' U 32 H5'' U 32 9.531 24.223 -0.465 337 H4' U 32 H4' U 32 8.030 23.057 -2.021 338 H3' U 32 H3' U 32 6.769 24.921 0.025 339 HO3' U 32 H3T U 32 7.362 26.314 -1.433 340 H2' U 32 H2' U 32 4.656 24.485 -0.787 341 HO2' U 32 HO2' U 32 4.359 24.521 -2.870 342 H1' U 32 H1' U 32 5.178 21.852 -1.720 343 H3 U 32 H3 U 32 1.481 21.563 0.910 344 H5 U 32 H5 U 32 4.594 22.478 3.598 345 H6 U 32 H6 U 32 6.078 22.725 1.697 346 H7 0EC 101 H7 LIG 33 -4.276 -4.875 8.256 347 H10 0EC 101 H10 LIG 33 -4.716 -6.157 3.605 348 HN14 0EC 101 H14 LIG 33 -0.338 1.062 6.946 349 H12 0EC 101 H121 LIG 33 -1.310 -1.363 7.382 350 H12A 0EC 101 H122 LIG 33 -3.021 -1.415 7.841 351 H13 0EC 101 H131 LIG 33 -3.233 0.987 7.336 352 H13A 0EC 101 H132 LIG 33 -1.994 0.698 8.588 353 HN5 0EC 101 H52 LIG 33 -3.258 -4.986 2.368 354 H15 0EC 101 H152 LIG 33 -1.045 1.550 4.749 355 HN5A 0EC 101 H51 LIG 33 -4.385 -3.680 2.100 356 H15A 0EC 101 H151 LIG 33 -2.734 1.436 5.317 357 H16 0EC 101 H162 LIG 33 -0.764 -0.872 5.197 358 H16A 0EC 101 H161 LIG 33 -2.092 -0.581 4.060 359 H8A 0EC 101 H81 LIG 33 -8.253 -5.921 8.005 360 H8AA 0EC 101 H83 LIG 33 -7.009 -4.657 7.936 361 H8AB 0EC 101 H82 LIG 33 -7.545 -5.463 6.445 362 H9A 0EC 101 H91 LIG 33 -7.254 -7.559 4.546 363 H9AA 0EC 101 H93 LIG 33 -7.055 -9.222 5.133 364 H9AB 0EC 101 H92 LIG 33 -7.226 -7.879 6.292 Start of MODEL 7 1 H5' G 1 H5' G 1 -11.929 15.075 0.808 2 H5'' G 1 H5'' G 1 -11.459 16.790 0.840 3 H4' G 1 H4' G 1 -9.604 15.341 1.604 4 H3' G 1 H3' G 1 -9.355 16.594 -1.164 5 H2' G 1 H2' G 1 -7.223 15.685 -1.398 6 HO2' G 1 HO2' G 1 -6.519 16.436 0.697 7 H1' G 1 H1' G 1 -7.703 13.335 0.080 8 H8 G 1 H8 G 1 -10.100 14.230 -2.795 9 H1 G 1 H1 G 1 -4.750 11.231 -4.655 10 H21 G 1 HN' G 1 -3.394 10.953 -2.951 11 H22 G 1 HN'' G 1 -3.781 11.517 -1.336 12 HO5' G 1 H5T G 1 -11.727 16.890 -1.230 13 H5' A 2 H5' A 2 -7.188 19.796 -2.536 14 H5'' A 2 H5'' A 2 -7.307 18.056 -2.864 15 H4' A 2 H4' A 2 -5.224 18.960 -3.846 16 H3' A 2 H3' A 2 -4.957 17.174 -1.395 17 H2' A 2 H2' A 2 -2.632 17.297 -1.550 18 HO2' A 2 HO2' A 2 -1.551 17.864 -3.407 19 H1' A 2 H1' A 2 -2.495 19.961 -2.318 20 H8 A 2 H8 A 2 -4.894 19.268 0.588 21 H61 A 2 HN' A 2 0.092 19.318 4.255 22 H62 A 2 HN'' A 2 -1.655 19.245 4.200 23 H2 A 2 H2 A 2 1.490 19.564 0.003 24 H5' G 3 H5' G 3 -2.358 15.809 -4.262 25 H5'' G 3 H5'' G 3 -2.357 14.043 -4.434 26 H4' G 3 H4' G 3 -0.047 14.846 -4.141 27 H3' G 3 H3' G 3 -1.243 13.386 -1.733 28 H2' G 3 H2' G 3 0.857 13.489 -0.696 29 HO2' G 3 HO2' G 3 1.792 13.881 -3.343 30 H1' G 3 H1' G 3 1.516 16.027 -1.675 31 H8 G 3 H8 G 3 -1.971 15.753 -0.134 32 H1 G 3 H1 G 3 2.733 16.311 4.184 33 H21 G 3 HN' G 3 4.694 16.189 3.202 34 H22 G 3 HN'' G 3 4.871 15.956 1.477 35 H5' U 4 H5' U 4 2.309 11.644 -2.592 36 H5'' U 4 H5'' U 4 2.330 9.880 -2.417 37 H4' U 4 H4' U 4 4.156 10.859 -1.092 38 H3' U 4 H3' U 4 1.810 9.750 0.516 39 H2' U 4 H2' U 4 3.090 10.097 2.457 40 HO2' U 4 HO2' U 4 5.174 9.778 0.708 41 H1' U 4 H1' U 4 4.157 12.531 1.635 42 H3 U 4 H3 U 4 1.586 13.235 5.329 43 H5 U 4 H5 U 4 -1.192 12.483 2.251 44 H6 U 4 H6 U 4 0.669 11.993 0.777 45 H5' A 5 H5' A 5 5.459 7.922 1.654 46 H5'' A 5 H5'' A 5 5.268 6.201 2.037 47 H4' A 5 H4' A 5 6.491 7.311 3.857 48 H3' A 5 H3' A 5 3.612 6.585 4.482 49 H2' A 5 H2' A 5 4.056 7.142 6.721 50 HO2' A 5 HO2' A 5 6.827 7.331 6.008 51 H1' A 5 H1' A 5 5.589 9.387 6.097 52 H8 A 5 H8 A 5 2.343 8.996 4.080 53 H61 A 5 HN' A 5 -0.582 11.585 8.854 54 H62 A 5 HN'' A 5 -0.724 10.992 7.215 55 H2 A 5 H2 A 5 3.695 10.913 10.056 56 H5' G 6 H5' G 6 6.245 4.914 7.202 57 H5'' G 6 H5'' G 6 5.808 3.276 7.717 58 H4' G 6 H4' G 6 6.207 4.713 9.688 59 H3' G 6 H3' G 6 3.308 3.935 9.185 60 H2' G 6 H2' G 6 2.712 4.977 11.179 61 HO2' G 6 HO2' G 6 5.393 5.317 12.016 62 H1' G 6 H1' G 6 4.663 7.019 11.019 63 H8 G 6 H8 G 6 2.375 6.582 7.978 64 H1 G 6 H1 G 6 -0.333 9.801 12.816 65 H21 G 6 HN' G 6 0.969 9.771 14.584 66 H22 G 6 HN'' G 6 2.515 8.952 14.602 67 H5' A 7 H5' A 7 4.294 3.244 12.998 68 H5'' A 7 H5'' A 7 3.707 1.722 13.697 69 H4' A 7 H4' A 7 3.069 3.651 15.125 70 H3' A 7 H3' A 7 0.792 2.224 13.644 71 H2' A 7 H2' A 7 -0.726 3.630 14.760 72 HO2' A 7 HO2' A 7 1.343 3.773 16.627 73 H1' A 7 H1' A 7 0.885 5.909 14.715 74 H8 A 7 H8 A 7 0.619 4.165 11.321 75 H61 A 7 HN' A 7 -4.508 7.504 10.452 76 H62 A 7 HN'' A 7 -3.342 6.427 9.717 77 H2 A 7 H2 A 7 -3.216 8.031 14.716 78 H5' A 8 H5' A 8 -0.361 2.531 17.550 79 H5'' A 8 H5'' A 8 -1.135 1.084 18.214 80 H4' A 8 H4' A 8 -2.604 2.980 18.612 81 H3' A 8 H3' A 8 -3.534 1.064 16.427 82 H2' A 8 H2' A 8 -5.480 2.364 16.265 83 HO2' A 8 HO2' A 8 -4.793 3.677 18.702 84 H1' A 8 H1' A 8 -4.282 4.843 16.820 85 H8 A 8 H8 A 8 -2.570 2.837 14.049 86 H61 A 8 HN' A 8 -6.757 5.288 10.213 87 H62 A 8 HN'' A 8 -5.303 4.324 10.336 88 H2 A 8 H2 A 8 -7.884 6.414 14.405 89 H5' A 9 H5' A 9 -6.603 1.567 19.259 90 H5'' A 9 H5'' A 9 -7.468 0.060 19.625 91 H4' A 9 H4' A 9 -9.095 1.810 19.045 92 H3' A 9 H3' A 9 -8.729 -0.347 16.893 93 H2' A 9 H2' A 9 -10.390 0.693 15.624 94 HO2' A 9 HO2' A 9 -11.265 2.556 17.452 95 H1' A 9 H1' A 9 -9.802 3.323 16.419 96 H8 A 9 H8 A 9 -6.876 1.219 15.112 97 H61 A 9 HN' A 9 -8.654 2.943 9.451 98 H62 A 9 HN'' A 9 -7.432 2.119 10.393 99 H2 A 9 H2 A 9 -11.737 4.389 12.373 100 H5' C 10 H5' C 10 -12.759 0.078 17.569 101 H5'' C 10 H5'' C 10 -13.643 -1.460 17.612 102 H4' C 10 H4' C 10 -14.709 0.116 16.020 103 H3' C 10 H3' C 10 -13.286 -2.271 14.738 104 H2' C 10 H2' C 10 -14.016 -1.546 12.654 105 HO2' C 10 HO2' C 10 -16.143 -1.222 12.807 106 H1' C 10 H1' C 10 -14.018 1.221 13.291 107 H41 C 10 HN' C 10 -9.491 -0.043 8.951 108 H42 C 10 HN'' C 10 -8.493 -0.765 10.194 109 H5 C 10 H5 C 10 -9.210 -1.042 12.467 110 H6 C 10 H6 C 10 -11.043 -0.702 14.052 111 H5' A 11 H5' A 11 -17.607 -1.955 13.836 112 H5'' A 11 H5'' A 11 -18.372 -3.548 14.028 113 H4' A 11 H4' A 11 -19.246 -2.399 12.014 114 H3' A 11 H3' A 11 -17.426 -4.803 11.549 115 H2' A 11 H2' A 11 -17.750 -4.591 9.245 116 HO2' A 11 HO2' A 11 -20.148 -3.413 10.069 117 H1' A 11 H1' A 11 -17.942 -1.787 9.214 118 H8 A 11 H8 A 11 -14.828 -3.026 11.013 119 H61 A 11 HN' A 11 -12.275 -3.709 5.417 120 H62 A 11 HN'' A 11 -11.991 -3.731 7.142 121 H2 A 11 H2 A 11 -16.625 -2.780 4.858 122 H5' A 12 H5' A 12 -19.841 -8.478 9.096 123 H5'' A 12 H5'' A 12 -18.239 -7.722 8.952 124 H4' A 12 H4' A 12 -20.620 -7.183 7.109 125 H3' A 12 H3' A 12 -18.167 -8.955 6.927 126 H2' A 12 H2' A 12 -17.811 -8.350 4.702 127 HO2' A 12 HO2' A 12 -20.532 -8.068 4.734 128 H1' A 12 H1' A 12 -18.558 -5.697 4.882 129 H8 A 12 H8 A 12 -16.292 -6.691 7.781 130 H61 A 12 HN' A 12 -11.558 -6.056 3.846 131 H62 A 12 HN'' A 12 -12.022 -6.315 5.513 132 H2 A 12 H2 A 12 -15.370 -5.727 1.506 133 H5' G 13 H5' G 13 -20.412 -9.700 3.550 134 H5'' G 13 H5'' G 13 -20.533 -11.416 3.123 135 H4' G 13 H4' G 13 -19.697 -10.144 1.186 136 H3' G 13 H3' G 13 -17.665 -11.913 2.602 137 H2' G 13 H2' G 13 -16.106 -11.385 0.918 138 HO2' G 13 HO2' G 13 -16.730 -10.996 -1.074 139 H1' G 13 H1' G 13 -16.785 -8.710 0.720 140 H8 G 13 H8 G 13 -16.594 -10.015 4.308 141 H1 G 13 H1 G 13 -10.860 -8.730 1.751 142 H21 G 13 HN' G 13 -11.054 -8.256 -0.377 143 H22 G 13 HN'' G 13 -12.593 -8.250 -1.209 144 H5' G 14 H5' G 14 -17.437 -12.701 -1.400 145 H5'' G 14 H5'' G 14 -17.348 -14.428 -1.788 146 H4' G 14 H4' G 14 -15.535 -13.234 -2.946 147 H3' G 14 H3' G 14 -14.706 -14.966 -0.573 148 H2' G 14 H2' G 14 -12.462 -14.540 -1.098 149 HO2' G 14 HO2' G 14 -12.049 -13.332 -3.174 150 H1' G 14 H1' G 14 -12.844 -11.881 -1.852 151 H8 G 14 H8 G 14 -14.552 -12.866 1.420 152 H1 G 14 H1 G 14 -8.264 -11.801 2.046 153 H21 G 14 HN' G 14 -7.334 -11.496 0.088 154 H22 G 14 HN'' G 14 -8.238 -11.560 -1.409 155 H5' C 15 H5' C 15 -12.360 -16.120 -3.780 156 H5'' C 15 H5'' C 15 -12.227 -17.880 -3.934 157 H4' C 15 H4' C 15 -9.980 -16.907 -3.998 158 H3' C 15 H3' C 15 -10.730 -18.340 -1.407 159 H2' C 15 H2' C 15 -8.513 -18.062 -0.680 160 HO2' C 15 HO2' C 15 -7.999 -18.191 -3.338 161 H1' C 15 H1' C 15 -8.183 -15.514 -1.769 162 H41 C 15 HN' C 15 -8.981 -15.256 4.566 163 H42 C 15 HN'' C 15 -10.706 -15.482 4.370 164 H5 C 15 H5 C 15 -11.756 -15.847 2.243 165 H6 C 15 H6 C 15 -11.387 -16.103 -0.164 166 H5' U 16 H5' U 16 -7.180 -20.025 -2.533 167 H5'' U 16 H5'' U 16 -7.159 -21.789 -2.358 168 H4' U 16 H4' U 16 -5.231 -20.836 -1.168 169 H3' U 16 H3' U 16 -7.494 -21.866 0.597 170 H2' U 16 H2' U 16 -6.202 -21.407 2.490 171 HO2' U 16 HO2' U 16 -3.842 -20.669 1.792 172 H1' U 16 H1' U 16 -4.957 -19.111 1.461 173 H3 U 16 H3 U 16 -7.137 -18.040 5.324 174 H5 U 16 H5 U 16 -10.216 -18.676 2.518 175 H6 U 16 H6 U 16 -8.531 -19.383 0.925 176 H5' U 17 H5' U 17 -4.963 -26.521 1.501 177 H5'' U 17 H5'' U 17 -5.791 -26.298 3.057 178 H4' U 17 H4' U 17 -3.441 -26.866 3.502 179 H3' U 17 H3' U 17 -4.774 -24.758 4.594 180 H2' U 17 H2' U 17 -4.029 -23.026 3.215 181 HO2' U 17 HO2' U 17 -2.833 -21.937 4.561 182 H1' U 17 H1' U 17 -1.258 -24.083 2.879 183 H3 U 17 H3 U 17 -1.155 -20.426 0.170 184 H5 U 17 H5 U 17 -3.870 -23.067 -1.674 185 H6 U 17 H6 U 17 -3.765 -24.462 0.310 186 H5' C 18 H5' C 18 -1.727 -23.109 6.121 187 H5'' C 18 H5'' C 18 -1.530 -23.265 7.878 188 H4' C 18 H4' C 18 -1.618 -20.868 7.167 189 H3' C 18 H3' C 18 -2.853 -22.059 9.289 190 H2' C 18 H2' C 18 -5.044 -22.134 8.441 191 HO2' C 18 HO2' C 18 -5.760 -20.773 9.888 192 H1' C 18 H1' C 18 -4.667 -19.519 6.996 193 H41 C 18 HN' C 18 -10.131 -21.441 4.432 194 H42 C 18 HN'' C 18 -9.291 -22.743 3.616 195 H5 C 18 H5 C 18 -6.983 -23.273 4.011 196 H6 C 18 H6 C 18 -4.959 -22.660 5.250 197 H5' G 19 H5' G 19 -0.002 -20.211 10.022 198 H5'' G 19 H5'' G 19 0.421 -19.541 11.607 199 H4' G 19 H4' G 19 1.964 -18.246 10.582 200 H3' G 19 H3' G 19 -0.595 -17.090 9.461 201 H2' G 19 H2' G 19 0.518 -16.081 7.722 202 HO2' G 19 HO2' G 19 3.078 -16.053 8.785 203 H1' G 19 H1' G 19 2.914 -17.695 7.834 204 H8 G 19 H8 G 19 3.231 -18.361 5.379 205 H1 G 19 H1 G 19 -3.046 -18.057 4.143 206 H21 G 19 HN' G 19 -4.180 -17.650 5.980 207 H22 G 19 HN'' G 19 -3.409 -17.434 7.536 208 H5' G 20 H5' G 20 0.441 -11.960 8.903 209 H5'' G 20 H5'' G 20 -1.009 -12.983 8.963 210 H4' G 20 H4' G 20 1.253 -13.386 6.959 211 H3' G 20 H3' G 20 -1.261 -11.670 6.917 212 H2' G 20 H2' G 20 -1.759 -12.332 4.737 213 HO2' G 20 HO2' G 20 0.994 -12.756 4.619 214 H1' G 20 H1' G 20 -0.971 -14.968 4.921 215 H8 G 20 H8 G 20 -2.952 -13.769 7.963 216 H1 G 20 H1 G 20 -6.618 -15.340 2.947 217 H21 G 20 HN' G 20 -5.376 -15.715 1.177 218 H22 G 20 HN'' G 20 -3.631 -15.581 1.203 219 H5' C 21 H5' C 21 0.584 -10.821 3.328 220 H5'' C 21 H5'' C 21 0.747 -9.072 3.088 221 H4' C 21 H4' C 21 -0.302 -10.049 1.098 222 H3' C 21 H3' C 21 -2.129 -8.489 2.971 223 H2' C 21 H2' C 21 -3.906 -8.768 1.489 224 HO2' C 21 HO2' C 21 -2.065 -9.657 -0.508 225 H1' C 21 H1' C 21 -3.175 -11.338 0.622 226 H41 C 21 HN' C 21 -8.317 -11.575 4.428 227 H42 C 21 HN'' C 21 -7.299 -11.344 5.832 228 H5 C 21 H5 C 21 -4.933 -10.971 5.702 229 H6 C 21 H6 C 21 -3.015 -10.718 4.200 230 H5' C 22 H5' C 22 -2.739 -6.915 -0.806 231 H5'' C 22 H5'' C 22 -2.772 -5.143 -0.805 232 H4' C 22 H4' C 22 -4.763 -5.967 -1.962 233 H3' C 22 H3' C 22 -5.209 -4.714 0.786 234 H2' C 22 H2' C 22 -7.476 -5.113 0.621 235 HO2' C 22 HO2' C 22 -8.528 -5.333 -1.385 236 H1' C 22 H1' C 22 -7.348 -7.411 -1.038 237 H41 C 22 HN' C 22 -9.667 -9.083 4.660 238 H42 C 22 HN'' C 22 -8.073 -8.937 5.369 239 H5 C 22 H5 C 22 -6.151 -8.171 4.151 240 H6 C 22 H6 C 22 -5.331 -7.358 1.992 241 H5' U 23 H5' U 23 -8.086 -3.340 -1.502 242 H5'' U 23 H5'' U 23 -7.777 -1.651 -1.945 243 H4' U 23 H4' U 23 -10.200 -2.044 -1.550 244 H3' U 23 H3' U 23 -8.733 -0.306 0.522 245 H2' U 23 H2' U 23 -10.812 0.115 1.531 246 HO2' U 23 HO2' U 23 -12.608 -1.082 0.009 247 H1' U 23 H1' U 23 -11.853 -2.441 1.118 248 H3 U 23 H3 U 23 -11.619 -1.375 5.588 249 H5 U 23 H5 U 23 -7.702 -2.483 4.497 250 H6 U 23 H6 U 23 -8.441 -2.581 2.190 251 H5' G 24 H5' G 24 -12.071 1.746 -0.850 252 H5'' G 24 H5'' G 24 -11.868 3.510 -0.929 253 H4' G 24 H4' G 24 -13.796 2.915 0.510 254 H3' G 24 H3' G 24 -11.384 4.063 2.007 255 H2' G 24 H2' G 24 -12.709 4.017 3.959 256 HO2' G 24 HO2' G 24 -15.047 3.253 3.530 257 H1' G 24 H1' G 24 -13.907 1.579 3.437 258 H8 G 24 H8 G 24 -10.134 1.701 2.752 259 H1 G 24 H1 G 24 -11.681 0.963 8.929 260 H21 G 24 HN' G 24 -13.863 1.151 9.192 261 H22 G 24 HN'' G 24 -14.946 1.470 7.854 262 H5' C 25 H5' C 25 -14.821 6.024 3.142 263 H5'' C 25 H5'' C 25 -14.637 7.782 3.336 264 H4' C 25 H4' C 25 -15.646 6.786 5.366 265 H3' C 25 H3' C 25 -12.779 7.819 5.680 266 H2' C 25 H2' C 25 -12.964 7.359 7.978 267 HO2' C 25 HO2' C 25 -15.624 6.533 7.935 268 H1' C 25 H1' C 25 -14.307 4.954 7.687 269 H41 C 25 HN' C 25 -8.096 3.840 8.706 270 H42 C 25 HN'' C 25 -7.738 4.217 7.035 271 H5 C 25 H5 C 25 -9.395 4.974 5.468 272 H6 C 25 H6 C 25 -11.754 5.561 5.160 273 H5' U 26 H5' U 26 -15.005 9.411 8.620 274 H5'' U 26 H5'' U 26 -14.651 11.111 8.967 275 H4' U 26 H4' U 26 -14.520 9.800 11.045 276 H3' U 26 H3' U 26 -11.866 10.800 9.924 277 H2' U 26 H2' U 26 -10.823 10.024 11.868 278 HO2' U 26 HO2' U 26 -13.207 9.287 13.157 279 H1' U 26 H1' U 26 -12.336 7.698 12.097 280 H3 U 26 H3 U 26 -7.977 6.545 11.469 281 H5 U 26 H5 U 26 -9.212 8.005 7.714 282 H6 U 26 H6 U 26 -11.335 8.611 8.719 283 H5' U 27 H5' U 27 -12.162 11.851 13.787 284 H5'' U 27 H5'' U 27 -11.583 13.480 14.175 285 H4' U 27 H4' U 27 -10.512 11.854 15.670 286 H3' U 27 H3' U 27 -8.694 13.092 13.540 287 H2' U 27 H2' U 27 -6.892 12.014 14.583 288 HO2' U 27 HO2' U 27 -8.642 11.436 16.773 289 H1' U 27 H1' U 27 -8.270 9.668 15.199 290 H3 U 27 H3 U 27 -4.849 8.609 12.397 291 H5 U 27 H5 U 27 -7.658 10.547 9.927 292 H6 U 27 H6 U 27 -8.966 11.041 11.909 293 H5' U 28 H5' U 28 -6.962 13.640 17.191 294 H5'' U 28 H5'' U 28 -6.108 15.183 17.376 295 H4' U 28 H4' U 28 -4.577 13.329 17.894 296 H3' U 28 H3' U 28 -4.045 14.779 15.266 297 H2' U 28 H2' U 28 -2.067 13.531 15.076 298 HO2' U 28 HO2' U 28 -2.455 12.495 17.702 299 H1' U 28 H1' U 28 -3.158 11.149 15.992 300 H3 U 28 H3 U 28 -1.897 10.646 11.638 301 H5 U 28 H5 U 28 -5.312 13.107 11.454 302 H6 U 28 H6 U 28 -5.323 13.163 13.878 303 H5' U 29 H5' U 29 -0.669 14.761 17.754 304 H5'' U 29 H5'' U 29 0.256 16.271 17.679 305 H4' U 29 H4' U 29 1.787 14.387 17.370 306 H3' U 29 H3' U 29 1.201 16.014 14.858 307 H2' U 29 H2' U 29 2.858 14.769 13.770 308 HO2' U 29 HO2' U 29 4.547 14.014 14.813 309 H1' U 29 H1' U 29 2.175 12.330 14.903 310 H3 U 29 H3 U 29 1.384 12.140 10.416 311 H5 U 29 H5 U 29 -1.679 14.621 11.904 312 H6 U 29 H6 U 29 -0.625 14.507 14.085 313 H5' G 30 H5' G 30 5.210 15.819 15.432 314 H5'' G 30 H5'' G 30 6.059 17.342 15.119 315 H4' G 30 H4' G 30 7.135 15.558 13.841 316 H3' G 30 H3' G 30 5.478 17.540 12.201 317 H2' G 30 H2' G 30 6.236 16.463 10.268 318 HO2' G 30 HO2' G 30 8.011 14.776 10.660 319 H1' G 30 H1' G 30 6.311 13.875 11.367 320 H8 G 30 H8 G 30 3.011 15.711 11.909 321 H1 G 30 H1 G 30 3.620 13.133 6.073 322 H21 G 30 HN' G 30 5.659 12.377 5.778 323 H22 G 30 HN'' G 30 6.899 12.502 7.006 324 H5' C 31 H5' C 31 9.169 17.392 10.463 325 H5'' C 31 H5'' C 31 9.772 18.977 9.949 326 H4' C 31 H4' C 31 9.861 17.429 8.048 327 H3' C 31 H3' C 31 7.682 19.562 7.918 328 H2' C 31 H2' C 31 7.141 18.828 5.768 329 HO2' C 31 HO2' C 31 8.583 17.394 4.618 330 H1' C 31 H1' C 31 7.644 16.109 6.241 331 H41 C 31 HN' C 31 1.347 17.156 5.877 332 H42 C 31 HN'' C 31 1.355 17.800 7.504 333 H5 C 31 H5 C 31 3.353 18.091 8.797 334 H6 C 31 H6 C 31 5.786 17.845 8.822 335 H5' U 32 H5' U 32 9.742 19.691 4.398 336 H5'' U 32 H5'' U 32 10.150 21.336 3.883 337 H4' U 32 H4' U 32 9.086 20.132 2.025 338 H3' U 32 H3' U 32 7.470 22.313 3.398 339 HO3' U 32 H3T U 32 8.524 23.520 2.027 340 H2' U 32 H2' U 32 5.686 21.966 1.978 341 HO2' U 32 HO2' U 32 6.115 21.843 -0.077 342 H1' U 32 H1' U 32 6.157 19.209 1.493 343 H3 U 32 H3 U 32 1.822 19.551 2.821 344 H5 U 32 H5 U 32 4.040 20.505 6.274 345 H6 U 32 H6 U 32 6.056 20.397 4.932 346 H7 0EC 101 H7 LIG 33 -8.909 -5.119 9.800 347 H10 0EC 101 H10 LIG 33 -7.994 -6.716 5.322 348 HN14 0EC 101 H14 LIG 33 -4.227 0.400 9.548 349 H12 0EC 101 H121 LIG 33 -5.512 -1.908 9.770 350 H12A 0EC 101 H122 LIG 33 -7.275 -1.800 9.626 351 H13 0EC 101 H131 LIG 33 -7.082 0.559 8.947 352 H13A 0EC 101 H132 LIG 33 -6.358 0.291 10.556 353 HN5 0EC 101 H52 LIG 33 -7.148 -4.452 3.895 354 H15 0EC 101 H152 LIG 33 -4.120 0.746 7.218 355 HN5A 0EC 101 H51 LIG 33 -6.011 -5.628 4.504 356 H15A 0EC 101 H151 LIG 33 -5.904 0.797 7.190 357 H16 0EC 101 H162 LIG 33 -4.229 -1.642 7.874 358 H16A 0EC 101 H161 LIG 33 -5.071 -1.359 6.341 359 H8A 0EC 101 H81 LIG 33 -11.456 -5.535 7.022 360 H8AA 0EC 101 H83 LIG 33 -12.697 -5.801 8.263 361 H8AB 0EC 101 H82 LIG 33 -11.364 -4.663 8.564 362 H9A 0EC 101 H91 LIG 33 -11.009 -9.445 6.181 363 H9AA 0EC 101 H93 LIG 33 -11.392 -8.012 7.156 364 H9AB 0EC 101 H92 LIG 33 -10.850 -7.827 5.469 Start of MODEL 8 1 H5' G 1 H5' G 1 -14.168 21.608 3.163 2 H5'' G 1 H5'' G 1 -14.186 19.882 2.731 3 H4' G 1 H4' G 1 -13.723 21.275 0.747 4 H3' G 1 H3' G 1 -11.388 19.721 1.927 5 H2' G 1 H2' G 1 -10.030 20.442 0.145 6 HO2' G 1 HO2' G 1 -10.993 21.511 -1.689 7 H1' G 1 H1' G 1 -11.039 23.018 0.002 8 H8 G 1 H8 G 1 -10.330 21.883 3.577 9 H1 G 1 H1 G 1 -5.068 23.553 0.319 10 H21 G 1 HN' G 1 -5.561 23.949 -1.783 11 H22 G 1 HN'' G 1 -7.189 23.792 -2.416 12 HO5' G 1 H5T G 1 -12.543 21.260 4.442 13 H5' A 2 H5' A 2 -11.353 18.986 -2.131 14 H5'' A 2 H5'' A 2 -11.136 17.272 -2.536 15 H4' A 2 H4' A 2 -9.478 18.644 -3.756 16 H3' A 2 H3' A 2 -8.369 16.981 -1.449 17 H2' A 2 H2' A 2 -6.210 17.648 -2.043 18 HO2' A 2 HO2' A 2 -7.001 18.935 -4.420 19 H1' A 2 H1' A 2 -6.921 20.250 -2.789 20 H8 A 2 H8 A 2 -8.288 19.103 0.597 21 H61 A 2 HN' A 2 -2.737 20.523 2.937 22 H62 A 2 HN'' A 2 -4.371 20.023 3.308 23 H2 A 2 H2 A 2 -2.511 20.927 -1.522 24 H5' G 3 H5' G 3 -6.132 16.246 -4.831 25 H5'' G 3 H5'' G 3 -5.708 14.538 -5.048 26 H4' G 3 H4' G 3 -3.679 15.920 -5.235 27 H3' G 3 H3' G 3 -3.917 14.273 -2.669 28 H2' G 3 H2' G 3 -1.744 14.947 -2.099 29 HO2' G 3 HO2' G 3 -1.524 15.619 -4.858 30 H1' G 3 H1' G 3 -1.990 17.542 -3.107 31 H8 G 3 H8 G 3 -4.899 16.402 -0.903 32 H1 G 3 H1 G 3 0.274 18.264 2.392 33 H21 G 3 HN' G 3 1.957 18.636 1.031 34 H22 G 3 HN'' G 3 1.835 18.419 -0.701 35 H5' U 4 H5' U 4 -0.291 13.464 -4.298 36 H5'' U 4 H5'' U 4 0.206 11.767 -4.170 37 H4' U 4 H4' U 4 1.964 13.198 -3.228 38 H3' U 4 H3' U 4 0.324 11.616 -1.196 39 H2' U 4 H2' U 4 1.847 12.322 0.455 40 HO2' U 4 HO2' U 4 3.735 13.664 -0.413 41 H1' U 4 H1' U 4 2.087 14.914 -0.509 42 H3 U 4 H3 U 4 0.161 15.072 3.614 43 H5 U 4 H5 U 4 -2.863 13.543 1.110 44 H6 U 4 H6 U 4 -1.251 13.490 -0.699 45 H5' A 5 H5' A 5 4.404 10.730 -0.691 46 H5'' A 5 H5'' A 5 4.674 9.018 -0.318 47 H4' A 5 H4' A 5 5.855 10.399 1.332 48 H3' A 5 H3' A 5 3.313 9.083 2.332 49 H2' A 5 H2' A 5 3.917 9.748 4.501 50 HO2' A 5 HO2' A 5 5.967 10.185 5.086 51 H1' A 5 H1' A 5 4.881 12.250 3.696 52 H8 A 5 H8 A 5 1.506 11.222 2.188 53 H61 A 5 HN' A 5 -1.105 13.212 7.409 54 H62 A 5 HN'' A 5 -1.377 12.597 5.795 55 H2 A 5 H2 A 5 3.353 13.384 7.944 56 H5' G 6 H5' G 6 6.552 8.016 4.676 57 H5'' G 6 H5'' G 6 6.525 6.326 5.208 58 H4' G 6 H4' G 6 6.856 7.813 7.148 59 H3' G 6 H3' G 6 4.111 6.503 6.970 60 H2' G 6 H2' G 6 3.572 7.417 9.042 61 HO2' G 6 HO2' G 6 6.310 8.086 9.489 62 H1' G 6 H1' G 6 5.100 9.779 8.696 63 H8 G 6 H8 G 6 2.548 8.936 5.965 64 H1 G 6 H1 G 6 -0.027 11.645 11.175 65 H21 G 6 HN' G 6 1.480 11.850 12.758 66 H22 G 6 HN'' G 6 3.135 11.316 12.560 67 H5' A 7 H5' A 7 5.615 5.978 10.640 68 H5'' A 7 H5'' A 7 5.382 4.370 11.353 69 H4' A 7 H4' A 7 4.560 6.137 12.889 70 H3' A 7 H3' A 7 2.414 4.365 11.595 71 H2' A 7 H2' A 7 0.809 5.476 12.904 72 HO2' A 7 HO2' A 7 3.042 6.233 14.494 73 H1' A 7 H1' A 7 2.027 7.991 12.787 74 H8 A 7 H8 A 7 1.646 6.315 9.372 75 H61 A 7 HN' A 7 -4.010 8.802 9.221 76 H62 A 7 HN'' A 7 -2.781 7.947 8.315 77 H2 A 7 H2 A 7 -2.333 9.417 13.337 78 H5' A 8 H5' A 8 1.645 4.411 15.602 79 H5'' A 8 H5'' A 8 1.176 2.851 16.296 80 H4' A 8 H4' A 8 -0.519 4.490 16.893 81 H3' A 8 H3' A 8 -1.374 2.487 14.757 82 H2' A 8 H2' A 8 -3.500 3.475 14.839 83 HO2' A 8 HO2' A 8 -3.854 5.077 16.671 84 H1' A 8 H1' A 8 -2.629 6.099 15.366 85 H8 A 8 H8 A 8 -0.972 4.456 12.337 86 H61 A 8 HN' A 8 -5.905 6.318 9.103 87 H62 A 8 HN'' A 8 -4.316 5.591 9.020 88 H2 A 8 H2 A 8 -6.694 7.141 13.440 89 H5' A 9 H5' A 9 -4.170 2.549 17.855 90 H5'' A 9 H5'' A 9 -4.794 0.944 18.283 91 H4' A 9 H4' A 9 -6.680 2.473 17.883 92 H3' A 9 H3' A 9 -6.263 0.384 15.676 93 H2' A 9 H2' A 9 -8.161 1.206 14.595 94 HO2' A 9 HO2' A 9 -8.953 1.705 17.163 95 H1' A 9 H1' A 9 -7.836 3.886 15.392 96 H8 A 9 H8 A 9 -4.828 2.209 13.715 97 H61 A 9 HN' A 9 -7.447 3.735 8.331 98 H62 A 9 HN'' A 9 -6.028 3.074 9.111 99 H2 A 9 H2 A 9 -10.347 4.716 11.611 100 H5' C 10 H5' C 10 -10.220 0.345 16.731 101 H5'' C 10 H5'' C 10 -10.910 -1.284 16.866 102 H4' C 10 H4' C 10 -12.321 0.138 15.406 103 H3' C 10 H3' C 10 -10.743 -2.054 13.967 104 H2' C 10 H2' C 10 -11.785 -1.458 11.973 105 HO2' C 10 HO2' C 10 -13.782 -0.365 13.678 106 H1' C 10 H1' C 10 -12.068 1.291 12.622 107 H41 C 10 HN' C 10 -7.903 0.584 7.820 108 H42 C 10 HN'' C 10 -6.699 -0.011 8.942 109 H5 C 10 H5 C 10 -7.133 -0.370 11.275 110 H6 C 10 H6 C 10 -8.815 -0.252 13.048 111 H5' A 11 H5' A 11 -14.876 -2.326 12.951 112 H5'' A 11 H5'' A 11 -15.434 -4.009 13.075 113 H4' A 11 H4' A 11 -16.183 -3.104 10.932 114 H3' A 11 H3' A 11 -13.901 -5.060 10.967 115 H2' A 11 H2' A 11 -13.446 -4.838 8.733 116 HO2' A 11 HO2' A 11 -16.032 -5.138 8.564 117 H1' A 11 H1' A 11 -14.674 -2.267 8.343 118 H8 A 11 H8 A 11 -11.509 -3.368 10.380 119 H61 A 11 HN' A 11 -8.338 -0.980 5.632 120 H62 A 11 HN'' A 11 -8.225 -1.756 7.195 121 H2 A 11 H2 A 11 -12.710 -0.578 4.728 122 H5' A 12 H5' A 12 -16.036 -8.803 7.715 123 H5'' A 12 H5'' A 12 -14.685 -7.733 7.281 124 H4' A 12 H4' A 12 -17.500 -7.590 6.095 125 H3' A 12 H3' A 12 -14.868 -8.819 5.216 126 H2' A 12 H2' A 12 -15.151 -8.060 3.033 127 HO2' A 12 HO2' A 12 -17.897 -7.808 3.751 128 H1' A 12 H1' A 12 -16.382 -5.642 3.603 129 H8 A 12 H8 A 12 -13.320 -6.107 5.795 130 H61 A 12 HN' A 12 -9.935 -4.476 0.879 131 H62 A 12 HN'' A 12 -9.914 -4.812 2.595 132 H2 A 12 H2 A 12 -14.176 -5.028 -0.470 133 H5' G 13 H5' G 13 -17.497 -9.910 2.335 134 H5'' G 13 H5'' G 13 -17.357 -11.595 1.803 135 H4' G 13 H4' G 13 -17.102 -10.098 -0.135 136 H3' G 13 H3' G 13 -14.603 -11.519 0.855 137 H2' G 13 H2' G 13 -13.403 -10.629 -0.963 138 HO2' G 13 HO2' G 13 -15.862 -10.667 -2.139 139 H1' G 13 H1' G 13 -14.538 -8.114 -0.878 140 H8 G 13 H8 G 13 -13.710 -9.544 2.568 141 H1 G 13 H1 G 13 -8.609 -7.173 -0.500 142 H21 G 13 HN' G 13 -9.128 -6.635 -2.558 143 H22 G 13 HN'' G 13 -10.735 -6.851 -3.216 144 H5' G 14 H5' G 14 -14.787 -12.027 -3.185 145 H5'' G 14 H5'' G 14 -14.465 -13.686 -3.718 146 H4' G 14 H4' G 14 -13.053 -12.126 -4.993 147 H3' G 14 H3' G 14 -11.642 -13.826 -2.886 148 H2' G 14 H2' G 14 -9.588 -12.987 -3.632 149 HO2' G 14 HO2' G 14 -9.337 -11.978 -5.630 150 H1' G 14 H1' G 14 -10.497 -10.394 -4.135 151 H8 G 14 H8 G 14 -11.567 -11.833 -0.762 152 H1 G 14 H1 G 14 -5.513 -9.734 -0.830 153 H21 G 14 HN' G 14 -4.915 -9.169 -2.859 154 H22 G 14 HN'' G 14 -5.988 -9.307 -4.235 155 H5' C 15 H5' C 15 -9.586 -14.384 -6.447 156 H5'' C 15 H5'' C 15 -9.211 -16.088 -6.752 157 H4' C 15 H4' C 15 -7.165 -14.772 -7.019 158 H3' C 15 H3' C 15 -7.346 -16.445 -4.471 159 H2' C 15 H2' C 15 -5.122 -15.861 -3.994 160 HO2' C 15 HO2' C 15 -5.001 -15.019 -6.721 161 H1' C 15 H1' C 15 -5.317 -13.236 -4.919 162 H41 C 15 HN' C 15 -5.334 -13.461 1.467 163 H42 C 15 HN'' C 15 -7.016 -13.946 1.458 164 H5 C 15 H5 C 15 -8.260 -14.354 -0.553 165 H6 C 15 H6 C 15 -8.167 -14.414 -3.000 166 H5' U 16 H5' U 16 -3.761 -17.501 -6.157 167 H5'' U 16 H5'' U 16 -3.459 -19.247 -6.109 168 H4' U 16 H4' U 16 -1.549 -18.072 -5.103 169 H3' U 16 H3' U 16 -3.381 -19.530 -3.152 170 H2' U 16 H2' U 16 -1.942 -18.966 -1.402 171 HO2' U 16 HO2' U 16 0.181 -17.850 -2.308 172 H1' U 16 H1' U 16 -1.181 -16.459 -2.416 173 H3 U 16 H3 U 16 -2.961 -15.899 1.745 174 H5 U 16 H5 U 16 -6.259 -16.895 -0.682 175 H6 U 16 H6 U 16 -4.718 -17.260 -2.516 176 H5' U 17 H5' U 17 0.050 -23.715 -2.961 177 H5'' U 17 H5'' U 17 -0.721 -23.797 -1.363 178 H4' U 17 H4' U 17 1.713 -23.982 -1.066 179 H3' U 17 H3' U 17 0.094 -22.261 0.303 180 H2' U 17 H2' U 17 0.458 -20.297 -0.914 181 HO2' U 17 HO2' U 17 2.613 -19.377 0.016 182 H1' U 17 H1' U 17 3.352 -20.820 -1.438 183 H3 U 17 H3 U 17 2.711 -16.923 -3.708 184 H5 U 17 H5 U 17 0.423 -19.786 -5.787 185 H6 U 17 H6 U 17 0.846 -21.347 -3.977 186 H5' C 18 H5' C 18 3.082 -20.275 1.758 187 H5'' C 18 H5'' C 18 3.392 -20.491 3.492 188 H4' C 18 H4' C 18 3.001 -18.082 2.869 189 H3' C 18 H3' C 18 2.147 -19.455 5.042 190 H2' C 18 H2' C 18 -0.093 -19.800 4.411 191 HO2' C 18 HO2' C 18 -0.178 -17.055 5.199 192 H1' C 18 H1' C 18 -0.223 -17.125 3.040 193 H41 C 18 HN' C 18 -5.581 -19.739 0.903 194 H42 C 18 HN'' C 18 -4.651 -20.908 -0.009 195 H5 C 18 H5 C 18 -2.267 -21.128 0.172 196 H6 C 18 H6 C 18 -0.241 -20.259 1.241 197 H5' G 19 H5' G 19 4.791 -17.210 5.536 198 H5'' G 19 H5'' G 19 5.265 -16.556 7.113 199 H4' G 19 H4' G 19 6.508 -15.008 6.034 200 H3' G 19 H3' G 19 3.715 -14.192 5.218 201 H2' G 19 H2' G 19 4.492 -12.964 3.438 202 HO2' G 19 HO2' G 19 6.704 -12.051 3.547 203 H1' G 19 H1' G 19 7.095 -14.204 3.236 204 H8 G 19 H8 G 19 7.256 -14.700 0.728 205 H1 G 19 H1 G 19 0.912 -15.334 0.111 206 H21 G 19 HN' G 19 -0.076 -15.187 2.067 207 H22 G 19 HN'' G 19 0.808 -14.919 3.553 208 H5' G 20 H5' G 20 3.930 -8.930 4.944 209 H5'' G 20 H5'' G 20 2.645 -10.150 5.063 210 H4' G 20 H4' G 20 4.688 -10.045 2.800 211 H3' G 20 H3' G 20 1.950 -8.778 3.193 212 H2' G 20 H2' G 20 1.290 -9.357 1.032 213 HO2' G 20 HO2' G 20 2.666 -9.520 -0.606 214 H1' G 20 H1' G 20 2.490 -11.832 0.886 215 H8 G 20 H8 G 20 0.754 -11.129 4.231 216 H1 G 20 H1 G 20 -3.215 -13.093 -0.402 217 H21 G 20 HN' G 20 -2.164 -13.183 -2.325 218 H22 G 20 HN'' G 20 -0.475 -12.757 -2.499 219 H5' C 21 H5' C 21 3.142 -7.387 -0.486 220 H5'' C 21 H5'' C 21 2.986 -5.624 -0.594 221 H4' C 21 H4' C 21 1.846 -6.641 -2.513 222 H3' C 21 H3' C 21 0.058 -5.531 -0.310 223 H2' C 21 H2' C 21 -1.830 -6.018 -1.589 224 HO2' C 21 HO2' C 21 -0.774 -6.862 -3.932 225 H1' C 21 H1' C 21 -0.819 -8.373 -2.735 226 H41 C 21 HN' C 21 -5.296 -9.688 1.648 227 H42 C 21 HN'' C 21 -4.147 -9.373 2.929 228 H5 C 21 H5 C 21 -1.910 -8.601 2.536 229 H6 C 21 H6 C 21 -0.278 -7.943 0.833 230 H5' C 22 H5' C 22 -1.289 -3.857 -3.841 231 H5'' C 22 H5'' C 22 -1.612 -2.121 -3.693 232 H4' C 22 H4' C 22 -3.576 -3.213 -4.662 233 H3' C 22 H3' C 22 -3.860 -2.215 -1.791 234 H2' C 22 H2' C 22 -6.037 -2.982 -1.725 235 HO2' C 22 HO2' C 22 -6.192 -3.322 -4.531 236 H1' C 22 H1' C 22 -5.742 -5.128 -3.558 237 H41 C 22 HN' C 22 -7.023 -7.471 2.234 238 H42 C 22 HN'' C 22 -5.388 -7.120 2.751 239 H5 C 22 H5 C 22 -3.781 -5.988 1.373 240 H6 C 22 H6 C 22 -3.385 -4.928 -0.798 241 H5' U 23 H5' U 23 -7.182 -1.095 -3.744 242 H5'' U 23 H5'' U 23 -7.288 0.671 -3.867 243 H4' U 23 H4' U 23 -9.502 -0.304 -3.318 244 H3' U 23 H3' U 23 -8.110 1.305 -1.107 245 H2' U 23 H2' U 23 -10.037 1.060 0.207 246 HO2' U 23 HO2' U 23 -11.913 -0.067 -1.018 247 H1' U 23 H1' U 23 -10.628 -1.541 -0.604 248 H3 U 23 H3 U 23 -9.870 -1.301 3.925 249 H5 U 23 H5 U 23 -6.046 -1.266 2.155 250 H6 U 23 H6 U 23 -7.121 -1.104 -0.012 251 H5' G 24 H5' G 24 -11.981 2.704 -1.584 252 H5'' G 24 H5'' G 24 -12.105 4.476 -1.522 253 H4' G 24 H4' G 24 -13.683 3.441 0.079 254 H3' G 24 H3' G 24 -11.302 4.875 1.357 255 H2' G 24 H2' G 24 -12.282 4.453 3.454 256 HO2' G 24 HO2' G 24 -14.609 3.257 2.728 257 H1' G 24 H1' G 24 -13.211 1.907 2.833 258 H8 G 24 H8 G 24 -9.602 2.553 1.755 259 H1 G 24 H1 G 24 -10.284 1.336 8.012 260 H21 G 24 HN' G 24 -12.424 1.248 8.538 261 H22 G 24 HN'' G 24 -13.692 1.498 7.359 262 H5' C 25 H5' C 25 -14.846 6.132 3.093 263 H5'' C 25 H5'' C 25 -14.927 7.884 3.384 264 H4' C 25 H4' C 25 -15.498 6.645 5.445 265 H3' C 25 H3' C 25 -12.806 8.107 5.487 266 H2' C 25 H2' C 25 -12.621 7.513 7.754 267 HO2' C 25 HO2' C 25 -14.436 6.560 8.869 268 H1' C 25 H1' C 25 -13.614 4.942 7.464 269 H41 C 25 HN' C 25 -7.228 4.779 7.672 270 H42 C 25 HN'' C 25 -7.145 5.279 5.997 271 H5 C 25 H5 C 25 -9.082 5.834 4.688 272 H6 C 25 H6 C 25 -11.522 6.056 4.699 273 H5' U 26 H5' U 26 -14.862 9.205 8.771 274 H5'' U 26 H5'' U 26 -14.716 10.923 9.181 275 H4' U 26 H4' U 26 -14.129 9.555 11.140 276 H3' U 26 H3' U 26 -11.811 10.991 9.773 277 H2' U 26 H2' U 26 -10.429 10.294 11.526 278 HO2' U 26 HO2' U 26 -12.548 9.190 13.026 279 H1' U 26 H1' U 26 -11.556 7.761 11.790 280 H3 U 26 H3 U 26 -7.191 7.293 10.584 281 H5 U 26 H5 U 26 -9.079 8.722 7.098 282 H6 U 26 H6 U 26 -11.124 8.962 8.381 283 H5' U 27 H5' U 27 -11.762 11.832 13.711 284 H5'' U 27 H5'' U 27 -11.389 13.517 14.111 285 H4' U 27 H4' U 27 -9.908 12.036 15.384 286 H3' U 27 H3' U 27 -8.579 13.587 13.104 287 H2' U 27 H2' U 27 -6.518 12.769 13.870 288 HO2' U 27 HO2' U 27 -7.924 12.018 16.247 289 H1' U 27 H1' U 27 -7.447 10.227 14.544 290 H3 U 27 H3 U 27 -4.296 9.769 11.297 291 H5 U 27 H5 U 27 -7.652 11.327 9.281 292 H6 U 27 H6 U 27 -8.753 11.566 11.429 293 H5' U 28 H5' U 28 -6.464 14.334 16.516 294 H5'' U 28 H5'' U 28 -5.851 15.993 16.639 295 H4' U 28 H4' U 28 -3.983 14.413 16.876 296 H3' U 28 H3' U 28 -4.083 15.940 14.238 297 H2' U 28 H2' U 28 -1.970 15.046 13.737 298 HO2' U 28 HO2' U 28 -0.611 14.894 15.345 299 H1' U 28 H1' U 28 -2.516 12.512 14.730 300 H3 U 28 H3 U 28 -1.823 12.246 10.230 301 H5 U 28 H5 U 28 -5.588 14.104 10.596 302 H6 U 28 H6 U 28 -5.261 14.146 12.998 303 H5' U 29 H5' U 29 -0.403 16.578 16.211 304 H5'' U 29 H5'' U 29 0.187 18.237 16.016 305 H4' U 29 H4' U 29 1.996 16.692 15.457 306 H3' U 29 H3' U 29 0.713 18.097 13.073 307 H2' U 29 H2' U 29 2.407 17.186 11.735 308 HO2' U 29 HO2' U 29 4.344 16.680 12.497 309 H1' U 29 H1' U 29 2.409 14.692 12.950 310 H3 U 29 H3 U 29 1.003 14.231 8.636 311 H5 U 29 H5 U 29 -2.239 16.079 10.591 312 H6 U 29 H6 U 29 -0.865 16.237 12.584 313 H5' G 30 H5' G 30 4.707 18.771 12.960 314 H5'' G 30 H5'' G 30 5.138 20.431 12.519 315 H4' G 30 H4' G 30 6.338 18.889 11.053 316 H3' G 30 H3' G 30 4.025 20.404 9.744 317 H2' G 30 H2' G 30 4.662 19.461 7.699 318 HO2' G 30 HO2' G 30 6.700 18.865 7.250 319 H1' G 30 H1' G 30 5.508 16.993 8.758 320 H8 G 30 H8 G 30 2.013 18.034 9.865 321 H1 G 30 H1 G 30 2.220 15.523 3.972 322 H21 G 30 HN' G 30 4.300 15.253 3.326 323 H22 G 30 HN'' G 30 5.664 15.694 4.329 324 H5' C 31 H5' C 31 7.288 21.020 7.378 325 H5'' C 31 H5'' C 31 7.416 22.677 6.763 326 H4' C 31 H4' C 31 7.512 21.108 4.879 327 H3' C 31 H3' C 31 4.924 22.699 5.144 328 H2' C 31 H2' C 31 4.193 21.776 3.126 329 HO2' C 31 HO2' C 31 5.681 20.664 1.727 330 H1' C 31 H1' C 31 5.363 19.256 3.509 331 H41 C 31 HN' C 31 -0.975 18.895 4.288 332 H42 C 31 HN'' C 31 -0.819 19.582 5.891 333 H5 C 31 H5 C 31 1.261 20.347 6.803 334 H6 C 31 H6 C 31 3.654 20.639 6.386 335 H5' U 32 H5' U 32 6.235 23.095 1.288 336 H5'' U 32 H5'' U 32 6.200 24.775 0.726 337 H4' U 32 H4' U 32 5.117 23.351 -0.945 338 H3' U 32 H3' U 32 3.336 25.149 0.731 339 HO3' U 32 H3T U 32 4.536 25.200 -1.835 340 H2' U 32 H2' U 32 1.446 24.402 -0.364 341 HO2' U 32 HO2' U 32 1.540 23.454 -2.444 342 H1' U 32 H1' U 32 2.375 21.794 -0.951 343 H3 U 32 H3 U 32 -1.584 21.260 1.208 344 H5 U 32 H5 U 32 1.000 22.791 4.163 345 H6 U 32 H6 U 32 2.696 23.057 2.452 346 H7 0EC 101 H7 LIG 33 -6.331 -4.032 7.851 347 H10 0EC 101 H10 LIG 33 -5.380 -4.520 3.133 348 HN14 0EC 101 H14 LIG 33 -4.318 3.048 6.933 349 H12 0EC 101 H121 LIG 33 -3.944 0.930 8.473 350 H12A 0EC 101 H122 LIG 33 -5.122 -0.376 8.255 351 H13 0EC 101 H131 LIG 33 -6.016 0.768 6.257 352 H13A 0EC 101 H132 LIG 33 -6.155 1.789 7.714 353 HN5 0EC 101 H52 LIG 33 -4.053 -1.706 2.350 354 H15 0EC 101 H152 LIG 33 -3.316 2.405 4.898 355 HN5A 0EC 101 H51 LIG 33 -4.013 -3.444 2.506 356 H15A 0EC 101 H151 LIG 33 -4.519 1.092 4.773 357 H16 0EC 101 H162 LIG 33 -2.356 1.285 6.897 358 H16A 0EC 101 H161 LIG 33 -2.320 0.223 5.478 359 H8A 0EC 101 H81 LIG 33 -8.841 -3.585 7.123 360 H8AA 0EC 101 H83 LIG 33 -8.977 -3.824 5.369 361 H8AB 0EC 101 H82 LIG 33 -10.109 -4.640 6.470 362 H9A 0EC 101 H91 LIG 33 -8.468 -7.412 3.437 363 H9AA 0EC 101 H93 LIG 33 -8.746 -6.380 4.854 364 H9AB 0EC 101 H92 LIG 33 -8.462 -5.646 3.256 Start of MODEL 9 1 H5' G 1 H5' G 1 -11.543 23.944 4.258 2 H5'' G 1 H5'' G 1 -11.605 22.183 4.007 3 H4' G 1 H4' G 1 -11.041 23.347 1.905 4 H3' G 1 H3' G 1 -8.792 21.857 3.314 5 H2' G 1 H2' G 1 -7.361 22.347 1.511 6 HO2' G 1 HO2' G 1 -9.795 22.829 0.142 7 H1' G 1 H1' G 1 -8.278 24.923 1.071 8 H8 G 1 H8 G 1 -7.716 24.146 4.766 9 H1 G 1 H1 G 1 -2.305 25.310 1.533 10 H21 G 1 HN' G 1 -2.721 25.500 -0.615 11 H22 G 1 HN'' G 1 -4.332 25.327 -1.283 12 HO5' G 1 H5T G 1 -10.480 22.838 5.929 13 H5' A 2 H5' A 2 -8.659 20.695 -0.643 14 H5'' A 2 H5'' A 2 -8.496 18.940 -0.855 15 H4' A 2 H4' A 2 -6.752 20.113 -2.159 16 H3' A 2 H3' A 2 -5.778 18.674 0.349 17 H2' A 2 H2' A 2 -3.578 19.198 -0.234 18 HO2' A 2 HO2' A 2 -4.614 19.736 -2.844 19 H1' A 2 H1' A 2 -4.164 21.725 -1.286 20 H8 A 2 H8 A 2 -5.679 21.018 2.155 21 H61 A 2 HN' A 2 -0.146 22.473 4.517 22 H62 A 2 HN'' A 2 -1.812 22.084 4.883 23 H2 A 2 H2 A 2 0.233 22.363 0.051 24 H5' G 3 H5' G 3 -3.473 17.491 -2.863 25 H5'' G 3 H5'' G 3 -3.108 15.755 -2.876 26 H4' G 3 H4' G 3 -1.023 17.034 -3.148 27 H3' G 3 H3' G 3 -1.399 15.693 -0.426 28 H2' G 3 H2' G 3 0.782 16.349 0.137 29 HO2' G 3 HO2' G 3 1.118 16.795 -2.664 30 H1' G 3 H1' G 3 0.663 18.826 -1.147 31 H8 G 3 H8 G 3 -2.359 18.030 1.054 32 H1 G 3 H1 G 3 2.769 20.051 4.327 33 H21 G 3 HN' G 3 4.510 20.215 2.998 34 H22 G 3 HN'' G 3 4.438 19.820 1.295 35 H5' U 4 H5' U 4 2.239 14.590 -1.825 36 H5'' U 4 H5'' U 4 2.671 12.902 -1.496 37 H4' U 4 H4' U 4 4.448 14.372 -0.652 38 H3' U 4 H3' U 4 2.688 13.071 1.477 39 H2' U 4 H2' U 4 4.176 13.905 3.097 40 HO2' U 4 HO2' U 4 6.188 14.900 2.420 41 H1' U 4 H1' U 4 4.544 16.368 1.868 42 H3 U 4 H3 U 4 2.493 17.039 5.879 43 H5 U 4 H5 U 4 -0.503 15.348 3.446 44 H6 U 4 H6 U 4 1.164 15.044 1.713 45 H5' A 5 H5' A 5 6.717 12.112 2.241 46 H5'' A 5 H5'' A 5 6.898 10.438 2.798 47 H4' A 5 H4' A 5 8.066 11.939 4.352 48 H3' A 5 H3' A 5 5.431 10.822 5.361 49 H2' A 5 H2' A 5 5.973 11.681 7.480 50 HO2' A 5 HO2' A 5 8.025 12.202 8.080 51 H1' A 5 H1' A 5 7.053 14.057 6.475 52 H8 A 5 H8 A 5 3.720 12.973 4.911 53 H61 A 5 HN' A 5 0.933 15.566 9.763 54 H62 A 5 HN'' A 5 0.717 14.795 8.208 55 H2 A 5 H2 A 5 5.365 15.671 10.499 56 H5' G 6 H5' G 6 8.478 9.888 7.966 57 H5'' G 6 H5'' G 6 8.359 8.264 8.665 58 H4' G 6 H4' G 6 8.624 9.934 10.461 59 H3' G 6 H3' G 6 5.855 8.686 10.241 60 H2' G 6 H2' G 6 5.221 9.823 12.171 61 HO2' G 6 HO2' G 6 7.714 10.810 12.889 62 H1' G 6 H1' G 6 6.827 12.102 11.683 63 H8 G 6 H8 G 6 4.445 11.023 8.882 64 H1 G 6 H1 G 6 1.595 14.315 13.589 65 H21 G 6 HN' G 6 2.997 14.658 15.244 66 H22 G 6 HN'' G 6 4.647 14.076 15.218 67 H5' A 7 H5' A 7 7.153 8.511 14.031 68 H5'' A 7 H5'' A 7 6.830 6.995 14.897 69 H4' A 7 H4' A 7 6.001 8.944 16.193 70 H3' A 7 H3' A 7 3.853 7.104 14.999 71 H2' A 7 H2' A 7 2.233 8.400 16.103 72 HO2' A 7 HO2' A 7 3.282 10.138 17.615 73 H1' A 7 H1' A 7 3.547 10.850 15.776 74 H8 A 7 H8 A 7 3.247 8.836 12.542 75 H61 A 7 HN' A 7 -2.309 11.462 11.884 76 H62 A 7 HN'' A 7 -1.074 10.481 11.126 77 H2 A 7 H2 A 7 -0.782 12.454 15.984 78 H5' A 8 H5' A 8 2.930 7.634 18.941 79 H5'' A 8 H5'' A 8 2.388 6.177 19.788 80 H4' A 8 H4' A 8 0.730 7.923 20.136 81 H3' A 8 H3' A 8 -0.120 5.717 18.205 82 H2' A 8 H2' A 8 -2.214 6.768 18.100 83 HO2' A 8 HO2' A 8 -1.688 8.568 20.193 84 H1' A 8 H1' A 8 -1.277 9.407 18.363 85 H8 A 8 H8 A 8 0.427 7.389 15.599 86 H61 A 8 HN' A 8 -4.334 9.012 11.999 87 H62 A 8 HN'' A 8 -2.767 8.237 12.056 88 H2 A 8 H2 A 8 -5.240 10.339 16.186 89 H5' A 9 H5' A 9 -3.026 6.155 21.195 90 H5'' A 9 H5'' A 9 -3.685 4.607 21.760 91 H4' A 9 H4' A 9 -5.540 6.099 21.151 92 H3' A 9 H3' A 9 -5.062 3.816 19.158 93 H2' A 9 H2' A 9 -6.920 4.543 17.943 94 HO2' A 9 HO2' A 9 -8.130 6.412 19.264 95 H1' A 9 H1' A 9 -6.591 7.282 18.489 96 H8 A 9 H8 A 9 -3.539 5.426 17.106 97 H61 A 9 HN' A 9 -5.925 6.440 11.498 98 H62 A 9 HN'' A 9 -4.546 5.847 12.395 99 H2 A 9 H2 A 9 -8.940 7.761 14.547 100 H5' C 10 H5' C 10 -9.068 3.815 20.065 101 H5'' C 10 H5'' C 10 -9.743 2.189 20.284 102 H4' C 10 H4' C 10 -11.089 3.477 18.647 103 H3' C 10 H3' C 10 -9.405 1.215 17.439 104 H2' C 10 H2' C 10 -10.370 1.657 15.365 105 HO2' C 10 HO2' C 10 -12.303 3.275 15.517 106 H1' C 10 H1' C 10 -10.713 4.438 15.820 107 H41 C 10 HN' C 10 -6.331 3.471 11.260 108 H42 C 10 HN'' C 10 -5.169 2.979 12.473 109 H5 C 10 H5 C 10 -5.701 2.776 14.804 110 H6 C 10 H6 C 10 -7.462 2.986 16.491 111 H5' A 11 H5' A 11 -13.677 0.569 16.606 112 H5'' A 11 H5'' A 11 -14.080 -1.149 16.824 113 H4' A 11 H4' A 11 -15.024 -0.384 14.698 114 H3' A 11 H3' A 11 -12.598 -2.171 14.669 115 H2' A 11 H2' A 11 -12.401 -2.088 12.374 116 HO2' A 11 HO2' A 11 -15.132 -1.246 12.252 117 H1' A 11 H1' A 11 -13.584 0.458 11.963 118 H8 A 11 H8 A 11 -10.445 -0.546 14.088 119 H61 A 11 HN' A 11 -7.214 1.605 9.269 120 H62 A 11 HN'' A 11 -7.121 0.907 10.869 121 H2 A 11 H2 A 11 -11.574 1.967 8.293 122 H5' A 12 H5' A 12 -16.548 -3.077 12.552 123 H5'' A 12 H5'' A 12 -16.883 -4.819 12.445 124 H4' A 12 H4' A 12 -17.542 -3.685 10.342 125 H3' A 12 H3' A 12 -15.089 -5.511 10.212 126 H2' A 12 H2' A 12 -14.913 -5.085 7.917 127 HO2' A 12 HO2' A 12 -16.664 -4.930 6.754 128 H1' A 12 H1' A 12 -15.697 -2.417 8.014 129 H8 A 12 H8 A 12 -13.055 -3.356 10.622 130 H61 A 12 HN' A 12 -8.890 -2.634 6.102 131 H62 A 12 HN'' A 12 -9.126 -2.908 7.813 132 H2 A 12 H2 A 12 -12.981 -2.345 4.288 133 H5' G 13 H5' G 13 -17.634 -6.488 7.062 134 H5'' G 13 H5'' G 13 -17.766 -8.229 6.756 135 H4' G 13 H4' G 13 -17.199 -7.054 4.662 136 H3' G 13 H3' G 13 -14.957 -8.705 5.896 137 H2' G 13 H2' G 13 -13.656 -8.257 3.987 138 HO2' G 13 HO2' G 13 -14.552 -7.461 2.077 139 H1' G 13 H1' G 13 -14.470 -5.613 3.712 140 H8 G 13 H8 G 13 -13.644 -6.643 7.296 141 H1 G 13 H1 G 13 -8.455 -5.413 3.742 142 H21 G 13 HN' G 13 -9.010 -5.109 1.646 143 H22 G 13 HN'' G 13 -10.664 -5.205 1.082 144 H5' G 14 H5' G 14 -15.280 -9.707 1.952 145 H5'' G 14 H5'' G 14 -15.195 -11.449 1.637 146 H4' G 14 H4' G 14 -13.612 -10.268 0.168 147 H3' G 14 H3' G 14 -12.379 -11.865 2.458 148 H2' G 14 H2' G 14 -10.258 -11.403 1.583 149 HO2' G 14 HO2' G 14 -9.964 -10.634 -0.539 150 H1' G 14 H1' G 14 -10.848 -8.798 0.755 151 H8 G 14 H8 G 14 -11.958 -9.642 4.312 152 H1 G 14 H1 G 14 -5.697 -8.371 3.832 153 H21 G 14 HN' G 14 -5.111 -8.152 1.734 154 H22 G 14 HN'' G 14 -6.246 -8.326 0.412 155 H5' C 15 H5' C 15 -10.558 -13.090 -1.074 156 H5'' C 15 H5'' C 15 -10.384 -14.850 -1.181 157 H4' C 15 H4' C 15 -8.225 -13.810 -1.681 158 H3' C 15 H3' C 15 -8.439 -15.152 1.052 159 H2' C 15 H2' C 15 -6.143 -14.763 1.356 160 HO2' C 15 HO2' C 15 -6.061 -14.170 -1.440 161 H1' C 15 H1' C 15 -6.120 -12.254 0.137 162 H41 C 15 HN' C 15 -5.799 -11.752 6.499 163 H42 C 15 HN'' C 15 -7.519 -12.052 6.622 164 H5 C 15 H5 C 15 -8.911 -12.549 4.731 165 H6 C 15 H6 C 15 -8.962 -12.894 2.307 166 H5' U 16 H5' U 16 -5.086 -16.756 -0.691 167 H5'' U 16 H5'' U 16 -4.945 -18.506 -0.453 168 H4' U 16 H4' U 16 -2.868 -17.419 0.291 169 H3' U 16 H3' U 16 -4.678 -18.467 2.507 170 H2' U 16 H2' U 16 -3.073 -17.853 4.087 171 HO2' U 16 HO2' U 16 -0.927 -17.061 2.940 172 H1' U 16 H1' U 16 -2.162 -15.562 2.736 173 H3 U 16 H3 U 16 -3.566 -14.361 6.905 174 H5 U 16 H5 U 16 -7.114 -15.300 4.834 175 H6 U 16 H6 U 16 -5.754 -16.020 2.961 176 H5' U 17 H5' U 17 -1.580 -22.889 2.949 177 H5'' U 17 H5'' U 17 -2.250 -22.754 4.589 178 H4' U 17 H4' U 17 0.178 -23.099 4.766 179 H3' U 17 H3' U 17 -1.227 -21.114 6.029 180 H2' U 17 H2' U 17 -0.767 -19.322 4.599 181 HO2' U 17 HO2' U 17 0.423 -18.158 5.882 182 H1' U 17 H1' U 17 2.040 -20.165 4.003 183 H3 U 17 H3 U 17 1.654 -16.442 1.406 184 H5 U 17 H5 U 17 -0.995 -19.242 -0.296 185 H6 U 17 H6 U 17 -0.630 -20.667 1.634 186 H5' C 18 H5' C 18 1.987 -19.264 7.130 187 H5'' C 18 H5'' C 18 2.374 -19.333 8.860 188 H4' C 18 H4' C 18 2.147 -16.973 8.014 189 H3' C 18 H3' C 18 1.293 -18.051 10.348 190 H2' C 18 H2' C 18 -0.997 -18.248 9.858 191 HO2' C 18 HO2' C 18 -1.375 -15.536 10.160 192 H1' C 18 H1' C 18 -0.969 -15.723 8.223 193 H41 C 18 HN' C 18 -6.634 -18.043 6.599 194 H42 C 18 HN'' C 18 -5.856 -19.379 5.778 195 H5 C 18 H5 C 18 -3.493 -19.796 5.882 196 H6 C 18 H6 C 18 -1.348 -19.011 6.768 197 H5' G 19 H5' G 19 4.147 -16.058 10.529 198 H5'' G 19 H5'' G 19 4.756 -15.289 12.005 199 H4' G 19 H4' G 19 6.083 -13.986 10.723 200 H3' G 19 H3' G 19 3.344 -13.023 9.901 201 H2' G 19 H2' G 19 4.137 -12.106 7.951 202 HO2' G 19 HO2' G 19 6.809 -11.842 8.546 203 H1' G 19 H1' G 19 6.626 -13.573 7.824 204 H8 G 19 H8 G 19 6.644 -14.426 5.405 205 H1 G 19 H1 G 19 0.250 -14.481 5.036 206 H21 G 19 HN' G 19 -0.643 -13.980 6.979 207 H22 G 19 HN'' G 19 0.319 -13.615 8.394 208 H5' G 20 H5' G 20 4.068 -7.865 8.977 209 H5'' G 20 H5'' G 20 2.666 -8.907 9.298 210 H4' G 20 H4' G 20 4.580 -9.305 6.956 211 H3' G 20 H3' G 20 2.030 -7.682 7.305 212 H2' G 20 H2' G 20 1.183 -8.432 5.267 213 HO2' G 20 HO2' G 20 3.900 -9.000 4.697 214 H1' G 20 H1' G 20 2.091 -11.031 5.369 215 H8 G 20 H8 G 20 0.627 -9.707 8.662 216 H1 G 20 H1 G 20 -3.769 -11.828 4.508 217 H21 G 20 HN' G 20 -2.838 -12.292 2.576 218 H22 G 20 HN'' G 20 -1.125 -12.084 2.280 219 H5' C 21 H5' C 21 3.198 -6.851 3.444 220 H5'' C 21 H5'' C 21 3.209 -5.106 3.126 221 H4' C 21 H4' C 21 1.867 -6.225 1.401 222 H3' C 21 H3' C 21 0.333 -4.671 3.526 223 H2' C 21 H2' C 21 -1.669 -5.113 2.426 224 HO2' C 21 HO2' C 21 -0.996 -6.304 0.146 225 H1' C 21 H1' C 21 -0.948 -7.669 1.493 226 H41 C 21 HN' C 21 -5.333 -8.086 6.135 227 H42 C 21 HN'' C 21 -4.112 -7.727 7.336 228 H5 C 21 H5 C 21 -1.836 -7.201 6.788 229 H6 C 21 H6 C 21 -0.223 -6.888 4.972 230 H5' C 22 H5' C 22 -0.999 -3.302 -0.167 231 H5'' C 22 H5'' C 22 -1.149 -1.538 -0.225 232 H4' C 22 H4' C 22 -3.244 -2.539 -0.998 233 H3' C 22 H3' C 22 -3.312 -1.179 1.734 234 H2' C 22 H2' C 22 -5.547 -1.712 1.963 235 HO2' C 22 HO2' C 22 -6.814 -2.293 0.048 236 H1' C 22 H1' C 22 -5.539 -4.083 0.405 237 H41 C 22 HN' C 22 -6.771 -5.592 6.474 238 H42 C 22 HN'' C 22 -5.099 -5.307 6.902 239 H5 C 22 H5 C 22 -3.461 -4.484 5.352 240 H6 C 22 H6 C 22 -3.062 -3.738 3.054 241 H5' U 23 H5' U 23 -6.581 -0.005 -0.182 242 H5'' U 23 H5'' U 23 -6.566 1.734 -0.526 243 H4' U 23 H4' U 23 -8.805 0.996 0.267 244 H3' U 23 H3' U 23 -7.179 2.799 2.151 245 H2' U 23 H2' U 23 -9.035 2.876 3.580 246 HO2' U 23 HO2' U 23 -10.897 1.500 2.184 247 H1' U 23 H1' U 23 -9.844 0.237 3.170 248 H3 U 23 H3 U 23 -8.840 1.000 7.585 249 H5 U 23 H5 U 23 -5.112 0.597 5.662 250 H6 U 23 H6 U 23 -6.284 0.538 3.541 251 H5' G 24 H5' G 24 -10.976 4.370 1.644 252 H5'' G 24 H5'' G 24 -11.007 6.140 1.482 253 H4' G 24 H4' G 24 -12.551 5.404 3.272 254 H3' G 24 H3' G 24 -10.042 6.855 4.256 255 H2' G 24 H2' G 24 -10.943 6.756 6.427 256 HO2' G 24 HO2' G 24 -13.415 5.905 5.278 257 H1' G 24 H1' G 24 -12.035 4.208 6.167 258 H8 G 24 H8 G 24 -8.441 4.519 4.900 259 H1 G 24 H1 G 24 -8.941 4.096 11.277 260 H21 G 24 HN' G 24 -11.062 4.187 11.879 261 H22 G 24 HN'' G 24 -12.360 4.364 10.719 262 H5' C 25 H5' C 25 -13.468 8.494 5.927 263 H5'' C 25 H5'' C 25 -13.459 10.269 6.012 264 H4' C 25 H4' C 25 -14.028 9.303 8.218 265 H3' C 25 H3' C 25 -11.277 10.637 8.033 266 H2' C 25 H2' C 25 -11.060 10.300 10.347 267 HO2' C 25 HO2' C 25 -13.777 9.445 10.488 268 H1' C 25 H1' C 25 -12.189 7.765 10.381 269 H41 C 25 HN' C 25 -5.816 7.294 10.543 270 H42 C 25 HN'' C 25 -5.734 7.596 8.821 271 H5 C 25 H5 C 25 -7.661 8.099 7.476 272 H6 C 25 H6 C 25 -10.086 8.447 7.485 273 H5' U 26 H5' U 26 -13.253 12.164 11.195 274 H5'' U 26 H5'' U 26 -13.041 13.907 11.426 275 H4' U 26 H4' U 26 -12.500 12.717 13.514 276 H3' U 26 H3' U 26 -10.130 13.935 12.023 277 H2' U 26 H2' U 26 -8.779 13.366 13.841 278 HO2' U 26 HO2' U 26 -9.686 12.723 15.858 279 H1' U 26 H1' U 26 -10.022 10.923 14.369 280 H3 U 26 H3 U 26 -5.658 10.150 13.322 281 H5 U 26 H5 U 26 -7.425 11.245 9.657 282 H6 U 26 H6 U 26 -9.479 11.713 10.860 283 H5' U 27 H5' U 27 -10.084 15.172 15.862 284 H5'' U 27 H5'' U 27 -9.665 16.878 16.090 285 H4' U 27 H4' U 27 -8.240 15.495 17.528 286 H3' U 27 H3' U 27 -6.848 16.760 15.113 287 H2' U 27 H2' U 27 -4.818 15.967 15.976 288 HO2' U 27 HO2' U 27 -6.171 16.204 18.359 289 H1' U 27 H1' U 27 -5.834 13.544 16.927 290 H3 U 27 H3 U 27 -2.652 12.620 13.813 291 H5 U 27 H5 U 27 -5.924 14.039 11.571 292 H6 U 27 H6 U 27 -7.048 14.556 13.657 293 H5' U 28 H5' U 28 -4.728 17.800 18.422 294 H5'' U 28 H5'' U 28 -4.061 19.442 18.376 295 H4' U 28 H4' U 28 -2.247 17.824 18.764 296 H3' U 28 H3' U 28 -2.325 19.097 16.001 297 H2' U 28 H2' U 28 -0.252 18.097 15.555 298 HO2' U 28 HO2' U 28 0.011 17.145 18.207 299 H1' U 28 H1' U 28 -0.840 15.697 16.847 300 H3 U 28 H3 U 28 -0.114 14.885 12.417 301 H5 U 28 H5 U 28 -3.841 16.847 12.521 302 H6 U 28 H6 U 28 -3.533 17.169 14.904 303 H5' U 29 H5' U 29 1.342 19.968 18.112 304 H5'' U 29 H5'' U 29 1.973 21.577 17.722 305 H4' U 29 H4' U 29 3.790 19.957 17.521 306 H3' U 29 H3' U 29 2.698 21.033 14.889 307 H2' U 29 H2' U 29 4.447 19.919 13.798 308 HO2' U 29 HO2' U 29 5.620 19.988 16.351 309 H1' U 29 H1' U 29 4.302 17.604 15.307 310 H3 U 29 H3 U 29 3.067 16.637 11.027 311 H5 U 29 H5 U 29 -0.189 18.819 12.574 312 H6 U 29 H6 U 29 1.101 19.187 14.595 313 H5' G 30 H5' G 30 6.701 21.585 14.948 314 H5'' G 30 H5'' G 30 7.218 23.162 14.330 315 H4' G 30 H4' G 30 8.454 21.408 13.158 316 H3' G 30 H3' G 30 6.287 22.822 11.527 317 H2' G 30 H2' G 30 7.004 21.614 9.655 318 HO2' G 30 HO2' G 30 9.412 21.488 11.105 319 H1' G 30 H1' G 30 7.674 19.265 11.047 320 H8 G 30 H8 G 30 4.178 20.569 11.824 321 H1 G 30 H1 G 30 4.573 17.361 6.289 322 H21 G 30 HN' G 30 6.669 16.934 5.799 323 H22 G 30 HN'' G 30 7.999 17.437 6.819 324 H5' C 31 H5' C 31 9.679 23.038 9.296 325 H5'' C 31 H5'' C 31 9.909 24.607 8.505 326 H4' C 31 H4' C 31 10.026 22.830 6.817 327 H3' C 31 H3' C 31 7.502 24.540 6.774 328 H2' C 31 H2' C 31 6.822 23.424 4.835 329 HO2' C 31 HO2' C 31 8.252 22.245 3.550 330 H1' C 31 H1' C 31 7.844 20.918 5.557 331 H41 C 31 HN' C 31 1.471 20.946 6.090 332 H42 C 31 HN'' C 31 1.599 21.801 7.611 333 H5 C 31 H5 C 31 3.680 22.565 8.525 334 H6 C 31 H6 C 31 6.099 22.695 8.184 335 H5' U 32 H5' U 32 8.976 24.449 2.966 336 H5'' U 32 H5'' U 32 9.041 26.056 2.221 337 H4' U 32 H4' U 32 7.953 24.500 0.675 338 H3' U 32 H3' U 32 6.200 26.551 2.064 339 HO3' U 32 H3T U 32 6.219 27.231 -0.289 340 H2' U 32 H2' U 32 4.318 25.769 0.980 341 HO2' U 32 HO2' U 32 4.533 24.443 -0.952 342 H1' U 32 H1' U 32 5.139 23.073 0.730 343 H3 U 32 H3 U 32 1.084 22.972 2.774 344 H5 U 32 H5 U 32 3.638 24.707 5.642 345 H6 U 32 H6 U 32 5.404 24.699 3.981 346 H7 0EC 101 H7 LIG 33 -5.637 -1.672 11.474 347 H10 0EC 101 H10 LIG 33 -4.958 -3.238 6.975 348 HN14 0EC 101 H14 LIG 33 -1.960 4.131 11.431 349 H12 0EC 101 H121 LIG 33 -3.672 2.116 11.344 350 H12A 0EC 101 H122 LIG 33 -5.095 2.382 10.321 351 H13 0EC 101 H131 LIG 33 -4.090 4.460 9.458 352 H13A 0EC 101 H132 LIG 33 -4.280 4.523 11.231 353 HN5 0EC 101 H52 LIG 33 -2.802 -1.622 5.986 354 H15 0EC 101 H152 LIG 33 -0.706 3.880 9.449 355 HN5A 0EC 101 H51 LIG 33 -4.488 -1.484 5.556 356 H15A 0EC 101 H151 LIG 33 -2.211 4.128 8.521 357 H16 0EC 101 H162 LIG 33 -1.629 1.754 10.323 358 H16A 0EC 101 H161 LIG 33 -1.584 1.749 8.551 359 H8A 0EC 101 H81 LIG 33 -9.547 -2.276 10.212 360 H8AA 0EC 101 H83 LIG 33 -8.189 -1.213 10.634 361 H8AB 0EC 101 H82 LIG 33 -8.345 -1.846 8.980 362 H9A 0EC 101 H91 LIG 33 -7.887 -6.089 8.221 363 H9AA 0EC 101 H93 LIG 33 -8.149 -4.716 9.315 364 H9AB 0EC 101 H92 LIG 33 -8.003 -4.446 7.560 Start of MODEL 10 1 H5' G 1 H5' G 1 -13.720 25.667 7.235 2 H5'' G 1 H5'' G 1 -13.603 24.026 6.559 3 H4' G 1 H4' G 1 -13.047 25.715 4.848 4 H3' G 1 H3' G 1 -10.740 24.109 6.014 5 H2' G 1 H2' G 1 -9.271 25.146 4.496 6 HO2' G 1 HO2' G 1 -10.137 26.446 2.755 7 H1' G 1 H1' G 1 -10.410 27.668 4.625 8 H8 G 1 H8 G 1 -9.986 26.114 8.073 9 H1 G 1 H1 G 1 -4.503 28.299 5.574 10 H21 G 1 HN' G 1 -4.807 28.932 3.494 11 H22 G 1 HN'' G 1 -6.359 28.809 2.688 12 HO5' G 1 H5T G 1 -12.161 23.591 7.993 13 H5' A 2 H5' A 2 -10.284 23.985 1.918 14 H5'' A 2 H5'' A 2 -9.956 22.355 1.299 15 H4' A 2 H4' A 2 -8.255 23.936 0.449 16 H3' A 2 H3' A 2 -7.295 21.999 2.603 17 H2' A 2 H2' A 2 -5.120 22.807 2.327 18 HO2' A 2 HO2' A 2 -6.052 23.474 -0.226 19 H1' A 2 H1' A 2 -5.870 25.465 1.876 20 H8 A 2 H8 A 2 -7.504 23.833 4.922 21 H61 A 2 HN' A 2 -2.255 25.042 7.970 22 H62 A 2 HN'' A 2 -3.899 24.459 8.107 23 H2 A 2 H2 A 2 -1.620 26.055 3.649 24 H5' G 3 H5' G 3 -4.715 21.799 -0.614 25 H5'' G 3 H5'' G 3 -4.204 20.148 -1.010 26 H4' G 3 H4' G 3 -2.223 21.593 -0.809 27 H3' G 3 H3' G 3 -2.644 19.613 1.483 28 H2' G 3 H2' G 3 -0.563 20.261 2.352 29 HO2' G 3 HO2' G 3 1.025 21.138 1.143 30 H1' G 3 H1' G 3 -0.817 22.960 1.687 31 H8 G 3 H8 G 3 -3.888 21.446 3.389 32 H1 G 3 H1 G 3 0.836 22.967 7.445 33 H21 G 3 HN' G 3 2.634 23.570 6.337 34 H22 G 3 HN'' G 3 2.700 23.595 4.588 35 H5' U 4 H5' U 4 1.158 19.112 0.146 36 H5'' U 4 H5'' U 4 1.694 17.422 0.100 37 H4' U 4 H4' U 4 3.304 18.743 1.398 38 H3' U 4 H3' U 4 1.515 16.878 3.024 39 H2' U 4 H2' U 4 2.840 17.385 4.904 40 HO2' U 4 HO2' U 4 4.671 18.562 3.045 41 H1' U 4 H1' U 4 3.094 20.086 4.320 42 H3 U 4 H3 U 4 0.743 19.652 8.196 43 H5 U 4 H5 U 4 -1.953 18.424 5.199 44 H6 U 4 H6 U 4 -0.159 18.643 3.584 45 H5' A 5 H5' A 5 5.562 15.956 3.835 46 H5'' A 5 H5'' A 5 5.808 14.209 4.004 47 H4' A 5 H4' A 5 6.789 15.350 5.941 48 H3' A 5 H3' A 5 4.168 13.920 6.474 49 H2' A 5 H2' A 5 4.532 14.286 8.767 50 HO2' A 5 HO2' A 5 7.208 14.801 7.938 51 H1' A 5 H1' A 5 5.512 16.878 8.418 52 H8 A 5 H8 A 5 2.370 16.021 6.383 53 H61 A 5 HN' A 5 -0.901 17.285 11.456 54 H62 A 5 HN'' A 5 -0.961 16.880 9.756 55 H2 A 5 H2 A 5 3.454 17.438 12.550 56 H5' G 6 H5' G 6 7.128 12.528 9.004 57 H5'' G 6 H5'' G 6 7.055 10.781 9.295 58 H4' G 6 H4' G 6 7.142 11.988 11.445 59 H3' G 6 H3' G 6 4.451 10.734 10.766 60 H2' G 6 H2' G 6 3.661 11.357 12.866 61 HO2' G 6 HO2' G 6 5.776 12.313 14.171 62 H1' G 6 H1' G 6 5.189 13.738 13.027 63 H8 G 6 H8 G 6 2.998 13.286 9.916 64 H1 G 6 H1 G 6 -0.225 15.264 15.094 65 H21 G 6 HN' G 6 1.076 15.245 16.863 66 H22 G 6 HN'' G 6 2.749 14.737 16.797 67 H5' A 7 H5' A 7 5.490 9.691 14.481 68 H5'' A 7 H5'' A 7 5.184 8.000 14.926 69 H4' A 7 H4' A 7 4.152 9.538 16.576 70 H3' A 7 H3' A 7 2.215 7.986 14.771 71 H2' A 7 H2' A 7 0.437 8.907 16.006 72 HO2' A 7 HO2' A 7 2.411 9.598 17.952 73 H1' A 7 H1' A 7 1.621 11.408 16.396 74 H8 A 7 H8 A 7 1.734 10.212 12.765 75 H61 A 7 HN' A 7 -3.883 12.722 12.179 76 H62 A 7 HN'' A 7 -2.530 11.993 11.342 77 H2 A 7 H2 A 7 -2.790 12.769 16.530 78 H5' A 8 H5' A 8 0.891 7.453 18.587 79 H5'' A 8 H5'' A 8 0.356 5.810 18.972 80 H4' A 8 H4' A 8 -1.438 7.347 19.548 81 H3' A 8 H3' A 8 -1.938 5.690 17.035 82 H2' A 8 H2' A 8 -4.072 6.661 16.955 83 HO2' A 8 HO2' A 8 -4.896 7.823 18.828 84 H1' A 8 H1' A 8 -3.333 9.173 17.983 85 H8 A 8 H8 A 8 -1.226 7.985 15.021 86 H61 A 8 HN' A 8 -5.664 10.336 11.410 87 H62 A 8 HN'' A 8 -4.069 9.619 11.454 88 H2 A 8 H2 A 8 -7.087 10.517 15.659 89 H5' A 9 H5' A 9 -5.152 5.281 19.674 90 H5'' A 9 H5'' A 9 -5.805 3.632 19.752 91 H4' A 9 H4' A 9 -7.638 5.216 19.324 92 H3' A 9 H3' A 9 -6.880 3.498 16.901 93 H2' A 9 H2' A 9 -8.609 4.498 15.699 94 HO2' A 9 HO2' A 9 -9.745 4.692 18.214 95 H1' A 9 H1' A 9 -8.452 7.013 16.963 96 H8 A 9 H8 A 9 -5.215 5.616 15.464 97 H61 A 9 HN' A 9 -7.095 8.032 10.096 98 H62 A 9 HN'' A 9 -5.785 7.242 10.945 99 H2 A 9 H2 A 9 -10.432 8.477 13.062 100 H5' C 10 H5' C 10 -10.926 3.412 17.382 101 H5'' C 10 H5'' C 10 -11.651 1.803 17.195 102 H4' C 10 H4' C 10 -12.851 3.464 15.799 103 H3' C 10 H3' C 10 -11.148 1.448 14.263 104 H2' C 10 H2' C 10 -11.928 2.352 12.264 105 HO2' C 10 HO2' C 10 -13.954 2.922 12.070 106 H1' C 10 H1' C 10 -12.224 4.994 13.253 107 H41 C 10 HN' C 10 -7.490 4.771 8.957 108 H42 C 10 HN'' C 10 -6.455 3.983 10.129 109 H5 C 10 H5 C 10 -7.195 3.333 12.317 110 H6 C 10 H6 C 10 -9.090 3.278 13.865 111 H5' A 11 H5' A 11 -15.089 1.688 12.849 112 H5'' A 11 H5'' A 11 -15.799 0.117 12.416 113 H4' A 11 H4' A 11 -16.096 1.734 10.566 114 H3' A 11 H3' A 11 -14.083 -0.508 10.084 115 H2' A 11 H2' A 11 -13.665 0.307 7.953 116 HO2' A 11 HO2' A 11 -15.323 0.861 6.771 117 H1' A 11 H1' A 11 -14.194 3.034 8.544 118 H8 A 11 H8 A 11 -11.502 1.195 10.592 119 H61 A 11 HN' A 11 -7.577 2.823 6.093 120 H62 A 11 HN'' A 11 -7.733 2.096 7.676 121 H2 A 11 H2 A 11 -11.718 3.962 4.807 122 H5' A 12 H5' A 12 -15.585 -3.665 6.489 123 H5'' A 12 H5'' A 12 -14.099 -2.717 6.721 124 H4' A 12 H4' A 12 -16.226 -2.195 4.585 125 H3' A 12 H3' A 12 -13.532 -3.589 4.615 126 H2' A 12 H2' A 12 -12.907 -2.598 2.602 127 HO2' A 12 HO2' A 12 -14.347 -2.420 1.076 128 H1' A 12 H1' A 12 -14.085 -0.126 2.973 129 H8 A 12 H8 A 12 -12.180 -1.313 6.069 130 H61 A 12 HN' A 12 -7.059 0.689 3.230 131 H62 A 12 HN'' A 12 -7.729 0.060 4.718 132 H2 A 12 H2 A 12 -10.456 0.935 0.313 133 H5' G 13 H5' G 13 -15.112 -4.109 0.817 134 H5'' G 13 H5'' G 13 -14.904 -5.745 0.169 135 H4' G 13 H4' G 13 -13.991 -4.103 -1.425 136 H3' G 13 H3' G 13 -11.939 -5.748 0.105 137 H2' G 13 H2' G 13 -10.250 -4.799 -1.234 138 HO2' G 13 HO2' G 13 -12.195 -4.749 -3.077 139 H1' G 13 H1' G 13 -11.356 -2.246 -1.282 140 H8 G 13 H8 G 13 -11.362 -3.900 2.159 141 H1 G 13 H1 G 13 -5.662 -1.475 0.516 142 H21 G 13 HN' G 13 -5.680 -0.806 -1.568 143 H22 G 13 HN'' G 13 -7.091 -0.947 -2.595 144 H5' G 14 H5' G 14 -10.952 -5.932 -3.848 145 H5'' G 14 H5'' G 14 -10.578 -7.573 -4.404 146 H4' G 14 H4' G 14 -8.791 -6.056 -5.128 147 H3' G 14 H3' G 14 -8.097 -7.919 -2.818 148 H2' G 14 H2' G 14 -5.884 -7.169 -2.913 149 HO2' G 14 HO2' G 14 -5.756 -5.531 -4.991 150 H1' G 14 H1' G 14 -6.512 -4.512 -3.541 151 H8 G 14 H8 G 14 -8.474 -6.018 -0.626 152 H1 G 14 H1 G 14 -2.560 -4.142 0.973 153 H21 G 14 HN' G 14 -1.437 -3.530 -0.804 154 H22 G 14 HN'' G 14 -2.116 -3.582 -2.416 155 H5' C 15 H5' C 15 -5.188 -8.408 -5.817 156 H5'' C 15 H5'' C 15 -4.832 -10.117 -6.114 157 H4' C 15 H4' C 15 -2.720 -8.910 -5.854 158 H3' C 15 H3' C 15 -3.527 -10.641 -3.465 159 H2' C 15 H2' C 15 -1.434 -10.185 -2.507 160 HO2' C 15 HO2' C 15 -0.644 -10.133 -5.066 161 H1' C 15 H1' C 15 -1.299 -7.536 -3.405 162 H41 C 15 HN' C 15 -2.543 -7.816 2.857 163 H42 C 15 HN'' C 15 -4.212 -8.219 2.520 164 H5 C 15 H5 C 15 -5.069 -8.550 0.302 165 H6 C 15 H6 C 15 -4.514 -8.592 -2.082 166 H5' U 16 H5' U 16 0.271 -11.876 -4.385 167 H5'' U 16 H5'' U 16 0.467 -13.636 -4.310 168 H4' U 16 H4' U 16 2.164 -12.569 -2.883 169 H3' U 16 H3' U 16 -0.115 -13.944 -1.400 170 H2' U 16 H2' U 16 0.951 -13.479 0.627 171 HO2' U 16 HO2' U 16 3.274 -12.458 0.176 172 H1' U 16 H1' U 16 2.034 -11.008 -0.166 173 H3 U 16 H3 U 16 -0.531 -10.430 3.569 174 H5 U 16 H5 U 16 -3.305 -11.132 0.476 175 H6 U 16 H6 U 16 -1.440 -11.568 -1.011 176 H5' U 17 H5' U 17 2.986 -18.282 -0.437 177 H5'' U 17 H5'' U 17 1.803 -18.326 0.888 178 H4' U 17 H4' U 17 4.047 -18.613 1.847 179 H3' U 17 H3' U 17 2.190 -16.779 2.702 180 H2' U 17 H2' U 17 3.048 -14.847 1.706 181 HO2' U 17 HO2' U 17 4.968 -14.195 3.278 182 H1' U 17 H1' U 17 5.916 -15.639 2.037 183 H3 U 17 H3 U 17 6.374 -11.659 -0.125 184 H5 U 17 H5 U 17 4.504 -14.201 -2.915 185 H6 U 17 H6 U 17 4.218 -15.834 -1.143 186 H5' C 18 H5' C 18 4.779 -15.031 5.048 187 H5'' C 18 H5'' C 18 4.535 -15.305 6.784 188 H4' C 18 H4' C 18 4.566 -12.854 6.144 189 H3' C 18 H3' C 18 3.095 -14.098 8.008 190 H2' C 18 H2' C 18 1.095 -14.374 6.782 191 HO2' C 18 HO2' C 18 -0.109 -12.235 7.129 192 H1' C 18 H1' C 18 1.407 -11.694 5.460 193 H41 C 18 HN' C 18 -3.227 -14.179 1.930 194 H42 C 18 HN'' C 18 -2.108 -15.361 1.286 195 H5 C 18 H5 C 18 0.136 -15.631 2.096 196 H6 C 18 H6 C 18 1.816 -14.813 3.681 197 H5' G 19 H5' G 19 5.271 -11.760 9.542 198 H5'' G 19 H5'' G 19 5.152 -10.797 11.025 199 H4' G 19 H4' G 19 6.786 -9.471 10.197 200 H3' G 19 H3' G 19 4.501 -8.838 8.326 201 H2' G 19 H2' G 19 5.922 -7.906 6.776 202 HO2' G 19 HO2' G 19 7.737 -6.732 7.359 203 H1' G 19 H1' G 19 8.352 -9.165 7.697 204 H8 G 19 H8 G 19 9.259 -10.567 5.674 205 H1 G 19 H1 G 19 3.687 -9.997 2.567 206 H21 G 19 HN' G 19 2.150 -9.138 3.881 207 H22 G 19 HN'' G 19 2.474 -8.681 5.539 208 H5' G 20 H5' G 20 6.515 -5.671 8.326 209 H5'' G 20 H5'' G 20 5.666 -4.114 8.431 210 H4' G 20 H4' G 20 7.008 -4.589 6.265 211 H3' G 20 H3' G 20 4.113 -3.645 6.445 212 H2' G 20 H2' G 20 3.877 -3.722 4.121 213 HO2' G 20 HO2' G 20 5.714 -3.937 2.734 214 H1' G 20 H1' G 20 5.267 -6.026 3.634 215 H8 G 20 H8 G 20 3.040 -6.046 6.782 216 H1 G 20 H1 G 20 -0.026 -7.534 1.354 217 H21 G 20 HN' G 20 1.293 -7.246 -0.375 218 H22 G 20 HN'' G 20 2.942 -6.680 -0.221 219 H5' C 21 H5' C 21 5.816 -1.592 3.412 220 H5'' C 21 H5'' C 21 5.542 0.158 3.482 221 H4' C 21 H4' C 21 4.935 -0.693 1.247 222 H3' C 21 H3' C 21 2.633 0.135 3.078 223 H2' C 21 H2' C 21 1.122 -0.277 1.355 224 HO2' C 21 HO2' C 21 3.390 -0.147 -0.378 225 H1' C 21 H1' C 21 2.508 -2.455 0.241 226 H41 C 21 HN' C 21 -2.814 -4.371 3.247 227 H42 C 21 HN'' C 21 -2.003 -4.219 4.790 228 H5 C 21 H5 C 21 0.232 -3.380 5.029 229 H6 C 21 H6 C 21 2.183 -2.482 3.850 230 H5' C 22 H5' C 22 2.148 2.112 -0.524 231 H5'' C 22 H5'' C 22 1.679 3.810 -0.336 232 H4' C 22 H4' C 22 0.121 2.705 -1.876 233 H3' C 22 H3' C 22 -0.966 3.476 0.862 234 H2' C 22 H2' C 22 -3.033 2.609 0.308 235 HO2' C 22 HO2' C 22 -2.799 2.181 -2.368 236 H1' C 22 H1' C 22 -2.140 0.616 -1.504 237 H41 C 22 HN' C 22 -4.753 -2.162 3.612 238 H42 C 22 HN'' C 22 -3.307 -1.831 4.539 239 H5 C 22 H5 C 22 -1.446 -0.579 3.682 240 H6 C 22 H6 C 22 -0.565 0.650 1.757 241 H5' U 23 H5' U 23 -3.660 4.321 -1.823 242 H5'' U 23 H5'' U 23 -3.900 6.064 -2.047 243 H4' U 23 H4' U 23 -6.061 4.826 -2.152 244 H3' U 23 H3' U 23 -5.578 6.664 0.248 245 H2' U 23 H2' U 23 -7.758 6.243 0.977 246 HO2' U 23 HO2' U 23 -8.313 5.108 -1.584 247 H1' U 23 H1' U 23 -7.855 3.575 0.106 248 H3 U 23 H3 U 23 -8.687 3.996 4.622 249 H5 U 23 H5 U 23 -4.499 4.226 4.214 250 H6 U 23 H6 U 23 -4.800 4.272 1.809 251 H5' G 24 H5' G 24 -8.403 10.600 0.584 252 H5'' G 24 H5'' G 24 -7.738 9.386 1.699 253 H4' G 24 H4' G 24 -10.621 9.539 0.701 254 H3' G 24 H3' G 24 -9.179 10.308 3.252 255 H2' G 24 H2' G 24 -10.900 9.442 4.584 256 HO2' G 24 HO2' G 24 -12.931 9.423 3.946 257 H1' G 24 H1' G 24 -11.439 7.184 3.142 258 H8 G 24 H8 G 24 -7.687 7.716 3.240 259 H1 G 24 H1 G 24 -10.116 5.658 8.805 260 H21 G 24 HN' G 24 -12.320 5.681 8.724 261 H22 G 24 HN'' G 24 -13.203 6.211 7.309 262 H5' C 25 H5' C 25 -12.982 11.395 3.928 263 H5'' C 25 H5'' C 25 -13.170 13.058 4.528 264 H4' C 25 H4' C 25 -14.268 11.476 6.070 265 H3' C 25 H3' C 25 -11.686 12.791 7.063 266 H2' C 25 H2' C 25 -12.044 11.777 9.158 267 HO2' C 25 HO2' C 25 -13.992 11.021 9.820 268 H1' C 25 H1' C 25 -12.861 9.335 8.168 269 H41 C 25 HN' C 25 -6.658 9.092 9.704 270 H42 C 25 HN'' C 25 -6.240 9.852 8.184 271 H5 C 25 H5 C 25 -7.875 10.629 6.604 272 H6 C 25 H6 C 25 -10.268 10.870 6.139 273 H5' U 26 H5' U 26 -14.358 13.354 9.988 274 H5'' U 26 H5'' U 26 -14.328 14.986 10.676 275 H4' U 26 H4' U 26 -14.115 13.346 12.488 276 H3' U 26 H3' U 26 -11.598 14.914 11.789 277 H2' U 26 H2' U 26 -10.543 13.951 13.643 278 HO2' U 26 HO2' U 26 -11.612 13.397 15.398 279 H1' U 26 H1' U 26 -11.647 11.422 13.324 280 H3 U 26 H3 U 26 -7.134 11.127 12.797 281 H5 U 26 H5 U 26 -8.462 13.054 9.293 282 H6 U 26 H6 U 26 -10.692 13.109 10.245 283 H5' U 27 H5' U 27 -12.229 15.188 15.755 284 H5'' U 27 H5'' U 27 -11.941 16.793 16.446 285 H4' U 27 H4' U 27 -10.683 15.127 17.729 286 H3' U 27 H3' U 27 -9.003 16.959 15.942 287 H2' U 27 H2' U 27 -7.093 16.009 16.922 288 HO2' U 27 HO2' U 27 -7.623 14.403 18.762 289 H1' U 27 H1' U 27 -8.090 13.412 17.044 290 H3 U 27 H3 U 27 -4.461 13.409 14.304 291 H5 U 27 H5 U 27 -7.476 15.289 12.039 292 H6 U 27 H6 U 27 -8.905 15.216 13.998 293 H5' U 28 H5' U 28 -7.476 17.211 19.726 294 H5'' U 28 H5'' U 28 -6.920 18.836 20.167 295 H4' U 28 H4' U 28 -5.085 17.238 20.495 296 H3' U 28 H3' U 28 -4.789 19.092 18.092 297 H2' U 28 H2' U 28 -2.604 18.262 17.830 298 HO2' U 28 HO2' U 28 -2.827 16.777 20.245 299 H1' U 28 H1' U 28 -3.263 15.624 18.361 300 H3 U 28 H3 U 28 -1.898 15.996 14.024 301 H5 U 28 H5 U 28 -5.708 17.794 14.075 302 H6 U 28 H6 U 28 -5.747 17.496 16.481 303 H5' U 29 H5' U 29 -1.451 19.446 20.617 304 H5'' U 29 H5'' U 29 -0.872 21.117 20.735 305 H4' U 29 H4' U 29 1.025 19.668 20.217 306 H3' U 29 H3' U 29 0.042 21.384 17.894 307 H2' U 29 H2' U 29 1.919 20.671 16.687 308 HO2' U 29 HO2' U 29 3.611 19.463 17.746 309 H1' U 29 H1' U 29 1.811 18.033 17.544 310 H3 U 29 H3 U 29 1.012 18.161 13.055 311 H5 U 29 H5 U 29 -2.504 19.716 14.779 312 H6 U 29 H6 U 29 -1.415 19.605 16.944 313 H5' G 30 H5' G 30 3.999 22.099 18.398 314 H5'' G 30 H5'' G 30 4.436 23.809 18.244 315 H4' G 30 H4' G 30 5.851 22.497 16.748 316 H3' G 30 H3' G 30 3.673 24.146 15.372 317 H2' G 30 H2' G 30 4.586 23.502 13.315 318 HO2' G 30 HO2' G 30 6.889 23.580 14.716 319 H1' G 30 H1' G 30 5.367 20.923 14.132 320 H8 G 30 H8 G 30 1.733 21.769 14.916 321 H1 G 30 H1 G 30 2.741 20.063 8.820 322 H21 G 30 HN' G 30 4.892 19.904 8.414 323 H22 G 30 HN'' G 30 6.108 20.221 9.631 324 H5' C 31 H5' C 31 7.154 25.136 13.517 325 H5'' C 31 H5'' C 31 7.298 26.865 13.156 326 H4' C 31 H4' C 31 7.648 25.580 11.095 327 H3' C 31 H3' C 31 4.999 27.079 11.281 328 H2' C 31 H2' C 31 4.523 26.434 9.087 329 HO2' C 31 HO2' C 31 7.237 25.598 8.799 330 H1' C 31 H1' C 31 5.723 23.904 9.248 331 H41 C 31 HN' C 31 -0.647 23.336 9.246 332 H42 C 31 HN'' C 31 -0.690 23.791 10.936 333 H5 C 31 H5 C 31 1.252 24.452 12.175 334 H6 C 31 H6 C 31 3.666 24.838 12.077 335 H5' U 32 H5' U 32 6.732 28.041 7.711 336 H5'' U 32 H5'' U 32 6.684 29.776 7.357 337 H4' U 32 H4' U 32 5.847 28.524 5.420 338 H3' U 32 H3' U 32 3.825 30.080 7.072 339 HO3' U 32 H3T U 32 4.771 30.530 4.423 340 H2' U 32 H2' U 32 2.102 29.428 5.682 341 HO2' U 32 HO2' U 32 2.525 29.749 3.637 342 H1' U 32 H1' U 32 3.191 26.929 4.914 343 H3 U 32 H3 U 32 -0.984 26.067 6.487 344 H5 U 32 H5 U 32 1.179 27.262 9.900 345 H6 U 32 H6 U 32 3.058 27.769 8.455 346 H7 0EC 101 H7 LIG 33 -5.746 0.355 9.443 347 H10 0EC 101 H10 LIG 33 -3.772 0.226 4.994 348 HN14 0EC 101 H14 LIG 33 -3.802 7.413 9.323 349 H12 0EC 101 H121 LIG 33 -3.664 5.276 10.868 350 H12A 0EC 101 H122 LIG 33 -4.682 3.915 10.367 351 H13 0EC 101 H131 LIG 33 -5.135 5.058 8.220 352 H13A 0EC 101 H132 LIG 33 -5.687 6.025 9.614 353 HN5 0EC 101 H52 LIG 33 -2.515 2.699 4.576 354 H15 0EC 101 H152 LIG 33 -2.292 6.891 7.591 355 HN5A 0EC 101 H51 LIG 33 -1.628 1.342 5.222 356 H15A 0EC 101 H151 LIG 33 -3.344 5.518 7.148 357 H16 0EC 101 H162 LIG 33 -1.785 5.760 9.743 358 H16A 0EC 101 H161 LIG 33 -1.337 4.749 8.358 359 H8A 0EC 101 H81 LIG 33 -8.737 -0.589 6.908 360 H8AA 0EC 101 H83 LIG 33 -7.983 0.506 8.084 361 H8AB 0EC 101 H82 LIG 33 -7.337 0.391 6.432 362 H9A 0EC 101 H91 LIG 33 -6.935 -2.293 6.069 363 H9AA 0EC 101 H93 LIG 33 -6.536 -1.425 4.574 364 H9AB 0EC 101 H92 LIG 33 -6.280 -3.185 4.682 Start of MODEL 11 1 H5' G 1 H5' G 1 -7.946 17.071 4.660 2 H5'' G 1 H5'' G 1 -7.082 18.625 4.721 3 H4' G 1 H4' G 1 -5.518 16.766 4.275 4 H3' G 1 H3' G 1 -6.190 18.616 1.950 5 H2' G 1 H2' G 1 -4.645 17.474 0.605 6 HO2' G 1 HO2' G 1 -3.652 15.868 2.676 7 H1' G 1 H1' G 1 -5.153 14.929 1.607 8 H8 G 1 H8 G 1 -8.225 17.062 0.719 9 H1 G 1 H1 G 1 -5.499 14.157 -4.302 10 H21 G 1 HN' G 1 -3.651 13.141 -3.690 11 H22 G 1 HN'' G 1 -3.055 13.179 -2.042 12 HO5' G 1 H5T G 1 -8.946 17.667 2.876 13 H5' A 2 H5' A 2 -3.943 21.242 -0.049 14 H5'' A 2 H5'' A 2 -4.259 19.533 -0.406 15 H4' A 2 H4' A 2 -2.586 20.398 -1.992 16 H3' A 2 H3' A 2 -1.618 18.476 0.148 17 H2' A 2 H2' A 2 0.548 18.546 -0.735 18 HO2' A 2 HO2' A 2 -0.456 19.959 -3.009 19 H1' A 2 H1' A 2 0.609 21.241 -1.284 20 H8 A 2 H8 A 2 -1.018 20.375 2.083 21 H61 A 2 HN' A 2 4.729 19.989 4.348 22 H62 A 2 HN'' A 2 3.023 19.963 4.735 23 H2 A 2 H2 A 2 5.018 20.568 -0.088 24 H5' G 3 H5' G 3 -0.049 17.312 -3.420 25 H5'' G 3 H5'' G 3 -0.146 15.567 -3.723 26 H4' G 3 H4' G 3 2.165 16.347 -4.082 27 H3' G 3 H3' G 3 1.694 14.666 -1.569 28 H2' G 3 H2' G 3 4.010 14.671 -1.195 29 HO2' G 3 HO2' G 3 4.727 15.974 -3.549 30 H1' G 3 H1' G 3 4.427 17.294 -2.047 31 H8 G 3 H8 G 3 1.479 16.873 0.347 32 H1 G 3 H1 G 3 7.189 16.936 3.259 33 H21 G 3 HN' G 3 8.807 16.908 1.775 34 H22 G 3 HN'' G 3 8.506 16.860 0.052 35 H5' U 4 H5' U 4 4.791 13.014 -3.594 36 H5'' U 4 H5'' U 4 4.798 11.241 -3.608 37 H4' U 4 H4' U 4 6.967 12.059 -2.791 38 H3' U 4 H3' U 4 5.143 10.806 -0.689 39 H2' U 4 H2' U 4 6.936 10.938 0.827 40 HO2' U 4 HO2' U 4 9.063 11.556 0.053 41 H1' U 4 H1' U 4 7.806 13.440 -0.007 42 H3 U 4 H3 U 4 6.371 13.748 4.306 43 H5 U 4 H5 U 4 2.832 13.350 2.054 44 H6 U 4 H6 U 4 4.200 13.015 0.081 45 H5' A 5 H5' A 5 8.874 8.816 -0.797 46 H5'' A 5 H5'' A 5 8.715 7.068 -0.554 47 H4' A 5 H4' A 5 10.426 7.945 0.973 48 H3' A 5 H3' A 5 7.781 7.210 2.263 49 H2' A 5 H2' A 5 8.820 7.508 4.351 50 HO2' A 5 HO2' A 5 11.359 8.124 3.410 51 H1' A 5 H1' A 5 10.221 9.790 3.586 52 H8 A 5 H8 A 5 6.560 9.645 2.426 53 H61 A 5 HN' A 5 5.023 11.747 8.018 54 H62 A 5 HN'' A 5 4.452 11.332 6.418 55 H2 A 5 H2 A 5 9.439 10.913 8.023 56 H5' G 6 H5' G 6 10.918 5.200 4.034 57 H5'' G 6 H5'' G 6 10.548 3.523 4.473 58 H4' G 6 H4' G 6 11.481 4.722 6.419 59 H3' G 6 H3' G 6 8.512 4.070 6.567 60 H2' G 6 H2' G 6 8.466 4.895 8.743 61 HO2' G 6 HO2' G 6 10.741 5.410 9.668 62 H1' G 6 H1' G 6 10.413 6.903 8.321 63 H8 G 6 H8 G 6 7.445 6.846 5.898 64 H1 G 6 H1 G 6 6.126 9.571 11.550 65 H21 G 6 HN' G 6 7.810 9.321 12.936 66 H22 G 6 HN'' G 6 9.277 8.475 12.494 67 H5' A 7 H5' A 7 10.340 2.933 9.934 68 H5'' A 7 H5'' A 7 9.859 1.357 10.592 69 H4' A 7 H4' A 7 9.671 3.128 12.322 70 H3' A 7 H3' A 7 7.041 1.931 11.289 71 H2' A 7 H2' A 7 5.901 3.238 12.877 72 HO2' A 7 HO2' A 7 7.628 4.476 14.353 73 H1' A 7 H1' A 7 7.566 5.470 12.680 74 H8 A 7 H8 A 7 6.422 4.115 9.290 75 H61 A 7 HN' A 7 1.408 7.656 10.015 76 H62 A 7 HN'' A 7 2.313 6.637 8.917 77 H2 A 7 H2 A 7 3.695 7.681 13.876 78 H5' A 8 H5' A 8 6.849 1.821 15.363 79 H5'' A 8 H5'' A 8 6.170 0.334 16.041 80 H4' A 8 H4' A 8 4.939 2.219 16.959 81 H3' A 8 H3' A 8 3.424 0.582 14.879 82 H2' A 8 H2' A 8 1.569 1.952 15.311 83 HO2' A 8 HO2' A 8 1.308 3.082 17.204 84 H1' A 8 H1' A 8 2.999 4.318 15.806 85 H8 A 8 H8 A 8 3.911 2.575 12.526 86 H61 A 8 HN' A 8 -0.915 5.546 10.048 87 H62 A 8 HN'' A 8 0.474 4.532 9.728 88 H2 A 8 H2 A 8 -0.978 6.242 14.478 89 H5' A 9 H5' A 9 1.151 0.911 18.399 90 H5'' A 9 H5'' A 9 0.295 -0.585 18.826 91 H4' A 9 H4' A 9 -1.293 1.295 18.825 92 H3' A 9 H3' A 9 -1.620 -0.643 16.471 93 H2' A 9 H2' A 9 -3.446 0.605 15.739 94 HO2' A 9 HO2' A 9 -3.535 1.840 18.314 95 H1' A 9 H1' A 9 -2.507 3.106 16.638 96 H8 A 9 H8 A 9 -0.154 1.068 14.405 97 H61 A 9 HN' A 9 -3.178 3.523 9.609 98 H62 A 9 HN'' A 9 -1.816 2.548 10.112 99 H2 A 9 H2 A 9 -5.327 4.717 13.362 100 H5' C 10 H5' C 10 -5.296 -0.029 18.138 101 H5'' C 10 H5'' C 10 -6.277 -1.499 18.298 102 H4' C 10 H4' C 10 -7.555 0.286 17.140 103 H3' C 10 H3' C 10 -6.696 -2.074 15.396 104 H2' C 10 H2' C 10 -7.856 -1.142 13.607 105 HO2' C 10 HO2' C 10 -9.578 -0.460 15.518 106 H1' C 10 H1' C 10 -7.457 1.557 14.385 107 H41 C 10 HN' C 10 -4.233 0.314 9.001 108 H42 C 10 HN'' C 10 -3.035 -0.574 9.917 109 H5 C 10 H5 C 10 -3.209 -0.977 12.276 110 H6 C 10 H6 C 10 -4.570 -0.631 14.280 111 H5' A 11 H5' A 11 -11.113 -1.479 15.716 112 H5'' A 11 H5'' A 11 -11.925 -3.052 15.873 113 H4' A 11 H4' A 11 -13.159 -1.599 14.294 114 H3' A 11 H3' A 11 -11.646 -3.948 13.075 115 H2' A 11 H2' A 11 -12.502 -3.388 10.970 116 HO2' A 11 HO2' A 11 -14.539 -2.229 12.514 117 H1' A 11 H1' A 11 -12.503 -0.609 11.385 118 H8 A 11 H8 A 11 -9.145 -2.210 12.182 119 H61 A 11 HN' A 11 -8.029 -2.105 6.096 120 H62 A 11 HN'' A 11 -7.351 -2.400 7.680 121 H2 A 11 H2 A 11 -12.315 -0.960 6.745 122 H5' A 12 H5' A 12 -14.555 -7.263 10.785 123 H5'' A 12 H5'' A 12 -12.976 -6.508 10.480 124 H4' A 12 H4' A 12 -15.602 -5.707 9.132 125 H3' A 12 H3' A 12 -13.274 -7.478 8.333 126 H2' A 12 H2' A 12 -13.266 -6.604 6.170 127 HO2' A 12 HO2' A 12 -15.908 -5.744 6.798 128 H1' A 12 H1' A 12 -13.889 -3.986 6.797 129 H8 A 12 H8 A 12 -11.200 -5.373 9.116 130 H61 A 12 HN' A 12 -7.180 -4.273 4.541 131 H62 A 12 HN'' A 12 -7.363 -4.745 6.215 132 H2 A 12 H2 A 12 -11.319 -3.601 2.951 133 H5' G 13 H5' G 13 -16.075 -7.716 5.309 134 H5'' G 13 H5'' G 13 -16.361 -9.362 4.721 135 H4' G 13 H4' G 13 -15.832 -7.890 2.818 136 H3' G 13 H3' G 13 -13.650 -9.859 3.616 137 H2' G 13 H2' G 13 -12.416 -9.176 1.734 138 HO2' G 13 HO2' G 13 -14.887 -8.038 0.859 139 H1' G 13 H1' G 13 -13.047 -6.478 1.945 140 H8 G 13 H8 G 13 -12.137 -8.144 5.259 141 H1 G 13 H1 G 13 -7.038 -6.675 1.668 142 H21 G 13 HN' G 13 -7.663 -5.989 -0.316 143 H22 G 13 HN'' G 13 -9.343 -5.883 -0.794 144 H5' G 14 H5' G 14 -14.249 -10.218 -0.425 145 H5'' G 14 H5'' G 14 -14.301 -11.897 -0.991 146 H4' G 14 H4' G 14 -12.705 -10.626 -2.362 147 H3' G 14 H3' G 14 -11.492 -12.597 -0.374 148 H2' G 14 H2' G 14 -9.379 -12.155 -1.289 149 HO2' G 14 HO2' G 14 -9.177 -11.804 -3.363 150 H1' G 14 H1' G 14 -9.806 -9.428 -1.690 151 H8 G 14 H8 G 14 -10.888 -10.723 1.739 152 H1 G 14 H1 G 14 -4.566 -9.810 1.237 153 H21 G 14 HN' G 14 -4.018 -9.316 -0.824 154 H22 G 14 HN'' G 14 -5.194 -9.211 -2.116 155 H5' C 15 H5' C 15 -9.859 -13.464 -4.079 156 H5'' C 15 H5'' C 15 -9.804 -15.203 -4.416 157 H4' C 15 H4' C 15 -7.588 -14.247 -4.829 158 H3' C 15 H3' C 15 -7.852 -15.912 -2.282 159 H2' C 15 H2' C 15 -5.529 -15.717 -1.988 160 HO2' C 15 HO2' C 15 -5.527 -14.940 -4.730 161 H1' C 15 H1' C 15 -5.358 -13.078 -2.871 162 H41 C 15 HN' C 15 -4.922 -13.434 3.494 163 H42 C 15 HN'' C 15 -6.656 -13.636 3.614 164 H5 C 15 H5 C 15 -8.102 -13.791 1.704 165 H6 C 15 H6 C 15 -8.208 -13.812 -0.742 166 H5' U 16 H5' U 16 -4.635 -17.502 -4.240 167 H5'' U 16 H5'' U 16 -4.616 -19.275 -4.229 168 H4' U 16 H4' U 16 -2.471 -18.437 -3.365 169 H3' U 16 H3' U 16 -4.357 -19.621 -1.283 170 H2' U 16 H2' U 16 -2.707 -19.335 0.346 171 HO2' U 16 HO2' U 16 -0.518 -18.541 -0.747 172 H1' U 16 H1' U 16 -1.643 -16.959 -0.708 173 H3 U 16 H3 U 16 -2.975 -16.236 3.596 174 H5 U 16 H5 U 16 -6.570 -16.602 1.428 175 H6 U 16 H6 U 16 -5.256 -17.167 -0.530 176 H5' U 17 H5' U 17 -1.649 -24.307 -1.367 177 H5'' U 17 H5'' U 17 -2.344 -24.300 0.268 178 H4' U 17 H4' U 17 0.042 -24.877 0.433 179 H3' U 17 H3' U 17 -1.216 -22.947 1.914 180 H2' U 17 H2' U 17 -0.586 -21.042 0.709 181 HO2' U 17 HO2' U 17 1.009 -20.070 1.825 182 H1' U 17 H1' U 17 2.156 -22.034 0.048 183 H3 U 17 H3 U 17 2.122 -18.018 -2.101 184 H5 U 17 H5 U 17 -0.716 -20.371 -4.141 185 H6 U 17 H6 U 17 -0.503 -22.037 -2.388 186 H5' C 18 H5' C 18 2.147 -21.523 3.230 187 H5'' C 18 H5'' C 18 2.501 -21.820 4.944 188 H4' C 18 H4' C 18 2.502 -19.367 4.350 189 H3' C 18 H3' C 18 1.570 -20.599 6.568 190 H2' C 18 H2' C 18 -0.731 -20.568 6.077 191 HO2' C 18 HO2' C 18 -0.232 -19.046 7.863 192 H1' C 18 H1' C 18 -0.511 -17.887 4.731 193 H41 C 18 HN' C 18 -6.341 -19.581 2.924 194 H42 C 18 HN'' C 18 -5.667 -20.866 1.945 195 H5 C 18 H5 C 18 -3.342 -21.464 1.971 196 H6 C 18 H6 C 18 -1.141 -20.946 2.915 197 H5' G 19 H5' G 19 4.569 -18.876 6.916 198 H5'' G 19 H5'' G 19 5.238 -18.324 8.462 199 H4' G 19 H4' G 19 6.682 -17.024 7.309 200 H3' G 19 H3' G 19 4.046 -15.715 6.633 201 H2' G 19 H2' G 19 4.936 -14.645 4.805 202 HO2' G 19 HO2' G 19 7.407 -14.701 6.235 203 H1' G 19 H1' G 19 7.258 -16.335 4.477 204 H8 G 19 H8 G 19 7.194 -16.832 1.965 205 H1 G 19 H1 G 19 0.812 -16.351 1.694 206 H21 G 19 HN' G 19 -0.028 -16.044 3.700 207 H22 G 19 HN'' G 19 0.967 -15.942 5.135 208 H5' G 20 H5' G 20 5.205 -10.603 6.212 209 H5'' G 20 H5'' G 20 3.734 -11.566 6.460 210 H4' G 20 H4' G 20 5.617 -11.926 4.088 211 H3' G 20 H3' G 20 3.202 -10.139 4.563 212 H2' G 20 H2' G 20 2.301 -10.670 2.480 213 HO2' G 20 HO2' G 20 3.594 -11.750 0.863 214 H1' G 20 H1' G 20 2.999 -13.333 2.387 215 H8 G 20 H8 G 20 1.665 -12.294 5.809 216 H1 G 20 H1 G 20 -2.931 -13.335 1.465 217 H21 G 20 HN' G 20 -2.055 -13.612 -0.527 218 H22 G 20 HN'' G 20 -0.330 -13.540 -0.818 219 H5' C 21 H5' C 21 4.422 -9.170 0.784 220 H5'' C 21 H5'' C 21 4.584 -7.419 0.554 221 H4' C 21 H4' C 21 3.149 -8.336 -1.217 222 H3' C 21 H3' C 21 1.764 -6.752 0.983 223 H2' C 21 H2' C 21 -0.270 -6.950 -0.135 224 HO2' C 21 HO2' C 21 0.373 -8.116 -2.468 225 H1' C 21 H1' C 21 0.208 -9.522 -1.171 226 H41 C 21 HN' C 21 -4.176 -9.681 3.494 227 H42 C 21 HN'' C 21 -2.912 -9.544 4.695 228 H5 C 21 H5 C 21 -0.594 -9.254 4.146 229 H6 C 21 H6 C 21 1.030 -9.021 2.328 230 H5' C 22 H5' C 22 0.501 -5.140 -2.607 231 H5'' C 22 H5'' C 22 0.515 -3.368 -2.603 232 H4' C 22 H4' C 22 -1.675 -4.139 -3.374 233 H3' C 22 H3' C 22 -1.564 -2.898 -0.587 234 H2' C 22 H2' C 22 -3.842 -3.213 -0.337 235 HO2' C 22 HO2' C 22 -5.092 -3.747 -2.385 236 H1' C 22 H1' C 22 -4.086 -5.517 -1.966 237 H41 C 22 HN' C 22 -5.299 -7.110 4.086 238 H42 C 22 HN'' C 22 -3.595 -7.004 4.472 239 H5 C 22 H5 C 22 -1.927 -6.289 2.901 240 H6 C 22 H6 C 22 -1.520 -5.505 0.617 241 H5' U 23 H5' U 23 -4.713 -1.257 -2.344 242 H5'' U 23 H5'' U 23 -4.587 0.505 -2.493 243 H4' U 23 H4' U 23 -6.828 -0.141 -1.655 244 H3' U 23 H3' U 23 -4.934 1.261 0.313 245 H2' U 23 H2' U 23 -6.686 1.314 1.880 246 HO2' U 23 HO2' U 23 -8.781 0.275 0.658 247 H1' U 23 H1' U 23 -7.712 -1.192 1.278 248 H3 U 23 H3 U 23 -6.152 -0.929 5.603 249 H5 U 23 H5 U 23 -2.737 -1.548 3.213 250 H6 U 23 H6 U 23 -4.138 -1.279 1.253 251 H5' G 24 H5' G 24 -8.609 3.335 0.195 252 H5'' G 24 H5'' G 24 -8.411 5.100 0.271 253 H4' G 24 H4' G 24 -9.991 4.336 2.013 254 H3' G 24 H3' G 24 -7.282 5.288 3.079 255 H2' G 24 H2' G 24 -8.150 5.010 5.253 256 HO2' G 24 HO2' G 24 -10.682 4.912 3.947 257 H1' G 24 H1' G 24 -9.538 2.671 4.708 258 H8 G 24 H8 G 24 -5.984 2.778 3.285 259 H1 G 24 H1 G 24 -6.273 1.420 9.543 260 H21 G 24 HN' G 24 -8.344 1.641 10.272 261 H22 G 24 HN'' G 24 -9.659 2.132 9.228 262 H5' C 25 H5' C 25 -10.304 7.137 5.176 263 H5'' C 25 H5'' C 25 -10.019 8.863 5.491 264 H4' C 25 H4' C 25 -10.570 7.685 7.595 265 H3' C 25 H3' C 25 -7.667 8.627 7.327 266 H2' C 25 H2' C 25 -7.333 7.937 9.549 267 HO2' C 25 HO2' C 25 -9.055 7.432 10.932 268 H1' C 25 H1' C 25 -8.803 5.598 9.353 269 H41 C 25 HN' C 25 -2.573 4.292 8.760 270 H42 C 25 HN'' C 25 -2.606 4.817 7.091 271 H5 C 25 H5 C 25 -4.557 5.747 6.039 272 H6 C 25 H6 C 25 -6.897 6.401 6.357 273 H5' U 26 H5' U 26 -9.091 9.966 10.849 274 H5'' U 26 H5'' U 26 -8.589 11.615 11.257 275 H4' U 26 H4' U 26 -8.042 10.106 13.119 276 H3' U 26 H3' U 26 -5.676 11.149 11.506 277 H2' U 26 H2' U 26 -4.251 10.157 13.074 278 HO2' U 26 HO2' U 26 -4.907 9.551 15.109 279 H1' U 26 H1' U 26 -5.764 7.851 13.426 280 H3 U 26 H3 U 26 -1.733 6.687 11.664 281 H5 U 26 H5 U 26 -3.751 8.560 8.474 282 H6 U 26 H6 U 26 -5.549 9.097 10.012 283 H5' U 27 H5' U 27 -5.040 11.808 15.422 284 H5'' U 27 H5'' U 27 -4.308 13.372 15.817 285 H4' U 27 H4' U 27 -3.011 11.574 16.870 286 H3' U 27 H3' U 27 -1.656 12.974 14.510 287 H2' U 27 H2' U 27 0.277 11.745 15.012 288 HO2' U 27 HO2' U 27 -0.916 10.824 17.432 289 H1' U 27 H1' U 27 -1.041 9.384 15.684 290 H3 U 27 H3 U 27 1.594 8.553 12.073 291 H5 U 27 H5 U 27 -1.601 10.826 10.531 292 H6 U 27 H6 U 27 -2.398 11.130 12.801 293 H5' U 28 H5' U 28 0.882 13.103 17.702 294 H5'' U 28 H5'' U 28 1.826 14.599 17.826 295 H4' U 28 H4' U 28 3.349 12.667 17.802 296 H3' U 28 H3' U 28 3.328 14.360 15.269 297 H2' U 28 H2' U 28 5.150 13.092 14.506 298 HO2' U 28 HO2' U 28 5.393 11.596 16.871 299 H1' U 28 H1' U 28 4.188 10.655 15.419 300 H3 U 28 H3 U 28 4.376 10.580 10.864 301 H5 U 28 H5 U 28 1.134 13.128 11.730 302 H6 U 28 H6 U 28 1.689 12.930 14.081 303 H5' U 29 H5' U 29 7.190 14.025 16.895 304 H5'' U 29 H5'' U 29 8.135 15.516 16.741 305 H4' U 29 H4' U 29 9.476 13.643 15.920 306 H3' U 29 H3' U 29 8.395 15.513 13.769 307 H2' U 29 H2' U 29 9.704 14.347 12.216 308 HO2' U 29 HO2' U 29 10.926 12.617 14.021 309 H1' U 29 H1' U 29 9.189 11.825 13.244 310 H3 U 29 H3 U 29 7.352 12.110 9.082 311 H5 U 29 H5 U 29 4.852 14.506 11.481 312 H6 U 29 H6 U 29 6.383 14.144 13.327 313 H5' G 30 H5' G 30 12.413 15.202 13.345 314 H5'' G 30 H5'' G 30 13.217 16.737 12.981 315 H4' G 30 H4' G 30 13.888 15.078 11.317 316 H3' G 30 H3' G 30 11.954 17.233 10.329 317 H2' G 30 H2' G 30 12.185 16.352 8.173 318 HO2' G 30 HO2' G 30 13.912 14.946 7.632 319 H1' G 30 H1' G 30 12.429 13.665 8.967 320 H8 G 30 H8 G 30 9.429 15.480 10.473 321 H1 G 30 H1 G 30 8.508 13.493 4.450 322 H21 G 30 HN' G 30 10.385 12.743 3.594 323 H22 G 30 HN'' G 30 11.890 12.729 4.488 324 H5' C 31 H5' C 31 15.059 17.237 7.709 325 H5'' C 31 H5'' C 31 15.576 18.862 7.225 326 H4' C 31 H4' C 31 15.111 17.535 5.215 327 H3' C 31 H3' C 31 13.061 19.692 5.887 328 H2' C 31 H2' C 31 11.956 19.219 3.882 329 HO2' C 31 HO2' C 31 12.967 17.979 2.225 330 H1' C 31 H1' C 31 12.441 16.458 3.920 331 H41 C 31 HN' C 31 6.321 17.643 5.345 332 H42 C 31 HN'' C 31 6.783 18.094 6.972 333 H5 C 31 H5 C 31 9.059 18.200 7.716 334 H6 C 31 H6 C 31 11.402 17.913 7.071 335 H5' U 32 H5' U 32 14.107 20.197 1.969 336 H5'' U 32 H5'' U 32 14.463 21.886 1.568 337 H4' U 32 H4' U 32 12.902 20.979 -0.087 338 H3' U 32 H3' U 32 11.798 22.961 1.932 339 HO3' U 32 H3T U 32 12.567 23.052 -0.815 340 H2' U 32 H2' U 32 9.692 22.836 1.001 341 HO2' U 32 HO2' U 32 10.173 21.482 -1.315 342 H1' U 32 H1' U 32 9.887 20.171 0.045 343 H3 U 32 H3 U 32 6.070 20.341 2.501 344 H5 U 32 H5 U 32 9.144 20.830 5.342 345 H6 U 32 H6 U 32 10.736 20.891 3.515 346 H7 0EC 101 H7 LIG 33 -3.287 -4.275 9.537 347 H10 0EC 101 H10 LIG 33 -2.954 -5.243 4.791 348 HN14 0EC 101 H14 LIG 33 -0.319 2.199 7.815 349 H12 0EC 101 H121 LIG 33 0.014 0.179 9.486 350 H12A 0EC 101 H122 LIG 33 -1.332 -0.970 9.557 351 H13 0EC 101 H131 LIG 33 -2.347 0.110 7.577 352 H13A 0EC 101 H132 LIG 33 -2.167 1.254 8.934 353 HN5 0EC 101 H52 LIG 33 -0.812 -4.723 4.226 354 H15 0EC 101 H152 LIG 33 0.326 1.268 5.748 355 HN5A 0EC 101 H51 LIG 33 -1.316 -3.168 3.614 356 H15A 0EC 101 H151 LIG 33 -1.032 0.118 5.894 357 H16 0EC 101 H162 LIG 33 1.396 0.194 7.715 358 H16A 0EC 101 H161 LIG 33 1.120 -0.972 6.409 359 H8A 0EC 101 H81 LIG 33 -7.216 -4.163 7.968 360 H8AA 0EC 101 H83 LIG 33 -5.763 -3.243 8.407 361 H8AB 0EC 101 H82 LIG 33 -5.909 -3.958 6.786 362 H9A 0EC 101 H91 LIG 33 -6.081 -6.075 5.394 363 H9AA 0EC 101 H93 LIG 33 -6.219 -7.805 5.766 364 H9AB 0EC 101 H92 LIG 33 -6.210 -6.605 7.083 Start of MODEL 12 1 H5' G 1 H5' G 1 -9.319 17.079 -0.779 2 H5'' G 1 H5'' G 1 -8.631 18.713 -0.928 3 H4' G 1 H4' G 1 -6.843 17.015 -0.789 4 H3' G 1 H3' G 1 -7.345 18.298 -3.506 5 H2' G 1 H2' G 1 -5.519 17.126 -4.390 6 HO2' G 1 HO2' G 1 -4.368 15.829 -2.453 7 H1' G 1 H1' G 1 -5.904 14.774 -2.950 8 H8 G 1 H8 G 1 -9.006 16.282 -4.649 9 H1 G 1 H1 G 1 -5.279 12.832 -8.558 10 H21 G 1 HN' G 1 -3.453 12.199 -7.517 11 H22 G 1 HN'' G 1 -3.119 12.632 -5.851 12 HO5' G 1 H5T G 1 -9.112 18.677 -3.114 13 H5' A 2 H5' A 2 -5.098 20.817 -5.679 14 H5'' A 2 H5'' A 2 -5.217 19.048 -5.756 15 H4' A 2 H4' A 2 -3.411 19.807 -7.249 16 H3' A 2 H3' A 2 -2.611 18.389 -4.690 17 H2' A 2 H2' A 2 -0.353 18.539 -5.278 18 HO2' A 2 HO2' A 2 -0.600 19.695 -7.767 19 H1' A 2 H1' A 2 -0.432 21.091 -6.308 20 H8 A 2 H8 A 2 -2.447 20.660 -3.072 21 H61 A 2 HN' A 2 2.931 21.267 -0.069 22 H62 A 2 HN'' A 2 1.195 21.134 0.098 23 H2 A 2 H2 A 2 3.803 21.089 -4.463 24 H5' G 3 H5' G 3 -0.448 16.809 -7.751 25 H5'' G 3 H5'' G 3 -0.358 15.038 -7.739 26 H4' G 3 H4' G 3 1.910 15.983 -7.924 27 H3' G 3 H3' G 3 1.203 14.720 -5.229 28 H2' G 3 H2' G 3 3.429 15.030 -4.556 29 HO2' G 3 HO2' G 3 5.064 15.020 -5.935 30 H1' G 3 H1' G 3 3.763 17.493 -5.828 31 H8 G 3 H8 G 3 0.543 17.187 -3.790 32 H1 G 3 H1 G 3 5.748 18.376 -0.244 33 H21 G 3 HN' G 3 7.560 18.262 -1.479 34 H22 G 3 HN'' G 3 7.516 17.880 -3.187 35 H5' U 4 H5' U 4 4.684 13.081 -6.476 36 H5'' U 4 H5'' U 4 4.841 11.344 -6.157 37 H4' U 4 H4' U 4 6.783 12.530 -5.223 38 H3' U 4 H3' U 4 4.779 11.457 -3.187 39 H2' U 4 H2' U 4 6.303 12.048 -1.498 40 HO2' U 4 HO2' U 4 8.389 13.026 -2.902 41 H1' U 4 H1' U 4 7.080 14.448 -2.668 42 H3 U 4 H3 U 4 5.020 15.345 1.296 43 H5 U 4 H5 U 4 1.887 14.185 -1.270 44 H6 U 4 H6 U 4 3.547 13.660 -2.956 45 H5' A 5 H5' A 5 8.660 9.935 -2.466 46 H5'' A 5 H5'' A 5 8.641 8.249 -1.918 47 H4' A 5 H4' A 5 10.034 9.586 -0.397 48 H3' A 5 H3' A 5 7.331 8.756 0.701 49 H2' A 5 H2' A 5 8.044 9.539 2.798 50 HO2' A 5 HO2' A 5 10.663 9.732 1.641 51 H1' A 5 H1' A 5 9.304 11.808 1.780 52 H8 A 5 H8 A 5 5.852 11.025 0.282 53 H61 A 5 HN' A 5 3.416 13.865 5.185 54 H62 A 5 HN'' A 5 3.097 13.112 3.639 55 H2 A 5 H2 A 5 7.855 13.583 5.820 56 H5' G 6 H5' G 6 10.418 7.499 3.140 57 H5'' G 6 H5'' G 6 10.178 5.889 3.841 58 H4' G 6 H4' G 6 10.729 7.518 5.615 59 H3' G 6 H3' G 6 7.857 6.512 5.582 60 H2' G 6 H2' G 6 7.455 7.683 7.554 61 HO2' G 6 HO2' G 6 10.281 8.000 7.873 62 H1' G 6 H1' G 6 9.187 9.835 6.960 63 H8 G 6 H8 G 6 6.578 8.954 4.297 64 H1 G 6 H1 G 6 4.239 12.392 9.177 65 H21 G 6 HN' G 6 5.752 12.619 10.752 66 H22 G 6 HN'' G 6 7.352 11.921 10.630 67 H5' A 7 H5' A 7 9.380 6.236 9.255 68 H5'' A 7 H5'' A 7 9.006 4.756 10.159 69 H4' A 7 H4' A 7 8.413 6.777 11.480 70 H3' A 7 H3' A 7 6.081 5.056 10.472 71 H2' A 7 H2' A 7 4.619 6.467 11.655 72 HO2' A 7 HO2' A 7 5.691 8.127 13.106 73 H1' A 7 H1' A 7 6.021 8.831 11.171 74 H8 A 7 H8 A 7 5.455 6.744 8.019 75 H61 A 7 HN' A 7 -0.010 9.598 7.585 76 H62 A 7 HN'' A 7 1.137 8.542 6.791 77 H2 A 7 H2 A 7 1.784 10.634 11.564 78 H5' A 8 H5' A 8 5.463 5.730 14.442 79 H5'' A 8 H5'' A 8 4.904 4.329 15.369 80 H4' A 8 H4' A 8 3.373 6.174 15.780 81 H3' A 8 H3' A 8 2.275 3.957 13.994 82 H2' A 8 H2' A 8 0.234 5.115 14.001 83 HO2' A 8 HO2' A 8 0.066 6.986 15.569 84 H1' A 8 H1' A 8 1.311 7.706 14.071 85 H8 A 8 H8 A 8 2.748 5.481 11.313 86 H61 A 8 HN' A 8 -2.147 7.164 7.927 87 H62 A 8 HN'' A 8 -0.616 6.317 7.929 88 H2 A 8 H2 A 8 -2.730 8.729 12.089 89 H5' A 9 H5' A 9 -0.374 4.665 17.163 90 H5'' A 9 H5'' A 9 -1.063 3.178 17.845 91 H4' A 9 H4' A 9 -2.882 4.745 17.315 92 H3' A 9 H3' A 9 -2.681 2.350 15.405 93 H2' A 9 H2' A 9 -4.591 3.121 14.304 94 HO2' A 9 HO2' A 9 -6.049 4.559 15.260 95 H1' A 9 H1' A 9 -4.081 5.860 14.677 96 H8 A 9 H8 A 9 -1.236 3.781 13.175 97 H61 A 9 HN' A 9 -3.993 4.633 7.711 98 H62 A 9 HN'' A 9 -2.580 4.014 8.535 99 H2 A 9 H2 A 9 -6.700 6.257 10.899 100 H5' C 10 H5' C 10 -6.600 2.599 16.633 101 H5'' C 10 H5'' C 10 -7.330 1.021 16.984 102 H4' C 10 H4' C 10 -8.745 2.299 15.400 103 H3' C 10 H3' C 10 -7.269 -0.094 14.176 104 H2' C 10 H2' C 10 -8.393 0.295 12.170 105 HO2' C 10 HO2' C 10 -10.431 0.847 12.188 106 H1' C 10 H1' C 10 -8.542 3.106 12.490 107 H41 C 10 HN' C 10 -4.561 1.643 7.701 108 H42 C 10 HN'' C 10 -3.343 1.149 8.857 109 H5 C 10 H5 C 10 -3.714 1.102 11.227 110 H6 C 10 H6 C 10 -5.333 1.505 13.017 111 H5' A 11 H5' A 11 -11.663 -0.574 13.759 112 H5'' A 11 H5'' A 11 -12.087 -2.254 14.156 113 H4' A 11 H4' A 11 -13.263 -1.634 12.108 114 H3' A 11 H3' A 11 -10.903 -3.487 11.945 115 H2' A 11 H2' A 11 -10.955 -3.576 9.640 116 HO2' A 11 HO2' A 11 -13.692 -2.876 9.972 117 H1' A 11 H1' A 11 -12.017 -1.017 9.133 118 H8 A 11 H8 A 11 -8.827 -2.130 11.133 119 H61 A 11 HN' A 11 -5.744 -0.268 6.101 120 H62 A 11 HN'' A 11 -5.605 -0.945 7.707 121 H2 A 11 H2 A 11 -10.121 0.360 5.363 122 H5' A 12 H5' A 12 -15.064 -4.372 10.289 123 H5'' A 12 H5'' A 12 -15.473 -6.099 10.372 124 H4' A 12 H4' A 12 -16.296 -5.111 8.250 125 H3' A 12 H3' A 12 -13.964 -7.084 8.064 126 H2' A 12 H2' A 12 -13.988 -6.874 5.732 127 HO2' A 12 HO2' A 12 -15.767 -5.958 4.625 128 H1' A 12 H1' A 12 -14.602 -4.167 5.641 129 H8 A 12 H8 A 12 -11.805 -5.014 8.113 130 H61 A 12 HN' A 12 -8.005 -5.017 3.229 131 H62 A 12 HN'' A 12 -8.110 -5.104 4.972 132 H2 A 12 H2 A 12 -12.213 -4.649 1.721 133 H5' G 13 H5' G 13 -16.812 -8.161 5.256 134 H5'' G 13 H5'' G 13 -17.069 -9.908 5.106 135 H4' G 13 H4' G 13 -16.607 -8.935 2.885 136 H3' G 13 H3' G 13 -14.385 -10.645 4.076 137 H2' G 13 H2' G 13 -13.213 -10.430 2.046 138 HO2' G 13 HO2' G 13 -15.714 -9.524 1.002 139 H1' G 13 H1' G 13 -13.846 -7.762 1.633 140 H8 G 13 H8 G 13 -12.867 -8.601 5.229 141 H1 G 13 H1 G 13 -7.844 -8.022 1.293 142 H21 G 13 HN' G 13 -8.510 -7.821 -0.783 143 H22 G 13 HN'' G 13 -10.199 -7.828 -1.239 144 H5' G 14 H5' G 14 -15.077 -11.904 0.257 145 H5'' G 14 H5'' G 14 -15.135 -13.666 0.074 146 H4' G 14 H4' G 14 -13.591 -12.719 -1.592 147 H3' G 14 H3' G 14 -12.304 -14.225 0.729 148 H2' G 14 H2' G 14 -10.226 -13.988 -0.321 149 HO2' G 14 HO2' G 14 -10.672 -12.815 -2.637 150 H1' G 14 H1' G 14 -10.688 -11.414 -1.304 151 H8 G 14 H8 G 14 -11.617 -11.917 2.368 152 H1 G 14 H1 G 14 -5.329 -11.144 1.412 153 H21 G 14 HN' G 14 -4.870 -11.120 -0.728 154 H22 G 14 HN'' G 14 -6.099 -11.303 -1.961 155 H5' C 15 H5' C 15 -10.821 -15.853 -2.795 156 H5'' C 15 H5'' C 15 -10.787 -17.624 -2.767 157 H4' C 15 H4' C 15 -8.593 -16.803 -3.479 158 H3' C 15 H3' C 15 -8.736 -17.903 -0.634 159 H2' C 15 H2' C 15 -6.403 -17.680 -0.491 160 HO2' C 15 HO2' C 15 -6.581 -17.967 -3.230 161 H1' C 15 H1' C 15 -6.262 -15.288 -1.921 162 H41 C 15 HN' C 15 -5.495 -14.301 4.345 163 H42 C 15 HN'' C 15 -7.222 -14.447 4.592 164 H5 C 15 H5 C 15 -8.766 -14.979 2.834 165 H6 C 15 H6 C 15 -9.000 -15.514 0.456 166 H5' U 16 H5' U 16 -5.627 -19.924 -2.377 167 H5'' U 16 H5'' U 16 -5.626 -21.656 -1.998 168 H4' U 16 H4' U 16 -3.432 -20.704 -1.428 169 H3' U 16 H3' U 16 -5.235 -21.385 0.935 170 H2' U 16 H2' U 16 -3.507 -20.806 2.399 171 HO2' U 16 HO2' U 16 -1.361 -20.301 1.081 172 H1' U 16 H1' U 16 -2.469 -18.719 0.836 173 H3 U 16 H3 U 16 -3.620 -17.080 4.934 174 H5 U 16 H5 U 16 -7.304 -17.861 3.042 175 H6 U 16 H6 U 16 -6.076 -18.841 1.197 176 H5' U 17 H5' U 17 -2.802 -26.073 1.780 177 H5'' U 17 H5'' U 17 -3.162 -25.629 3.461 178 H4' U 17 H4' U 17 -0.803 -26.306 3.327 179 H3' U 17 H3' U 17 -1.713 -23.994 4.458 180 H2' U 17 H2' U 17 -1.274 -22.483 2.731 181 HO2' U 17 HO2' U 17 0.707 -21.484 3.108 182 H1' U 17 H1' U 17 1.255 -23.803 1.839 183 H3 U 17 H3 U 17 0.880 -20.456 -1.225 184 H5 U 17 H5 U 17 -2.379 -23.009 -2.002 185 H6 U 17 H6 U 17 -1.851 -24.205 0.043 186 H5' C 18 H5' C 18 1.693 -22.426 4.962 187 H5'' C 18 H5'' C 18 2.328 -22.412 6.619 188 H4' C 18 H4' C 18 2.164 -20.102 5.673 189 H3' C 18 H3' C 18 1.462 -20.972 8.161 190 H2' C 18 H2' C 18 -0.874 -20.977 7.901 191 HO2' C 18 HO2' C 18 -1.536 -18.601 8.285 192 H1' C 18 H1' C 18 -0.766 -18.562 6.105 193 H41 C 18 HN' C 18 -6.782 -20.341 5.225 194 H42 C 18 HN'' C 18 -6.234 -21.782 4.394 195 H5 C 18 H5 C 18 -3.928 -22.437 4.270 196 H6 C 18 H6 C 18 -1.631 -21.844 4.884 197 H5' G 19 H5' G 19 4.484 -19.138 7.902 198 H5'' G 19 H5'' G 19 5.300 -18.338 9.255 199 H4' G 19 H4' G 19 6.532 -17.178 7.757 200 H3' G 19 H3' G 19 3.771 -16.075 7.217 201 H2' G 19 H2' G 19 4.394 -15.270 5.157 202 HO2' G 19 HO2' G 19 7.150 -15.194 5.776 203 H1' G 19 H1' G 19 6.747 -16.914 4.810 204 H8 G 19 H8 G 19 6.424 -17.866 2.448 205 H1 G 19 H1 G 19 0.043 -17.435 2.802 206 H21 G 19 HN' G 19 -0.581 -16.792 4.808 207 H22 G 19 HN'' G 19 0.562 -16.449 6.087 208 H5' G 20 H5' G 20 4.771 -11.033 5.899 209 H5'' G 20 H5'' G 20 3.346 -11.970 6.395 210 H4' G 20 H4' G 20 5.050 -12.650 3.958 211 H3' G 20 H3' G 20 2.651 -10.820 4.353 212 H2' G 20 H2' G 20 1.616 -11.642 2.434 213 HO2' G 20 HO2' G 20 3.665 -13.258 1.506 214 H1' G 20 H1' G 20 2.348 -14.289 2.667 215 H8 G 20 H8 G 20 1.202 -12.645 5.941 216 H1 G 20 H1 G 20 -3.599 -14.700 2.225 217 H21 G 20 HN' G 20 -2.834 -15.357 0.277 218 H22 G 20 HN'' G 20 -1.135 -15.297 -0.139 219 H5' C 21 H5' C 21 3.604 -10.346 0.372 220 H5'' C 21 H5'' C 21 3.727 -8.632 -0.067 221 H4' C 21 H4' C 21 2.193 -9.745 -1.625 222 H3' C 21 H3' C 21 0.937 -7.941 0.478 223 H2' C 21 H2' C 21 -1.169 -8.290 -0.443 224 HO2' C 21 HO2' C 21 -0.075 -9.513 -2.762 225 H1' C 21 H1' C 21 -0.712 -10.948 -1.263 226 H41 C 21 HN' C 21 -4.789 -10.754 3.666 227 H42 C 21 HN'' C 21 -3.468 -10.410 4.760 228 H5 C 21 H5 C 21 -1.204 -10.085 4.037 229 H6 C 21 H6 C 21 0.301 -10.007 2.106 230 H5' C 22 H5' C 22 -0.538 -6.741 -3.220 231 H5'' C 22 H5'' C 22 -0.555 -4.980 -3.410 232 H4' C 22 H4' C 22 -2.767 -5.861 -3.978 233 H3' C 22 H3' C 22 -2.547 -4.289 -1.369 234 H2' C 22 H2' C 22 -4.793 -4.623 -0.955 235 HO2' C 22 HO2' C 22 -5.274 -5.400 -3.648 236 H1' C 22 H1' C 22 -5.079 -7.096 -2.316 237 H41 C 22 HN' C 22 -6.011 -8.064 3.912 238 H42 C 22 HN'' C 22 -4.303 -7.847 4.222 239 H5 C 22 H5 C 22 -2.718 -7.248 2.521 240 H6 C 22 H6 C 22 -2.417 -6.711 0.151 241 H5' U 23 H5' U 23 -5.843 -3.001 -3.164 242 H5'' U 23 H5'' U 23 -5.682 -1.318 -3.699 243 H4' U 23 H4' U 23 -7.925 -1.744 -2.702 244 H3' U 23 H3' U 23 -6.026 0.094 -1.131 245 H2' U 23 H2' U 23 -7.780 0.510 0.369 246 HO2' U 23 HO2' U 23 -9.712 -0.878 -1.112 247 H1' U 23 H1' U 23 -8.838 -2.072 0.314 248 H3 U 23 H3 U 23 -7.524 -0.989 4.565 249 H5 U 23 H5 U 23 -3.941 -1.792 2.497 250 H6 U 23 H6 U 23 -5.237 -1.984 0.457 251 H5' G 24 H5' G 24 -9.690 1.962 -1.629 252 H5'' G 24 H5'' G 24 -9.571 3.701 -1.975 253 H4' G 24 H4' G 24 -11.064 3.297 -0.040 254 H3' G 24 H3' G 24 -8.385 4.600 0.663 255 H2' G 24 H2' G 24 -9.169 4.802 2.872 256 HO2' G 24 HO2' G 24 -11.515 4.122 3.197 257 H1' G 24 H1' G 24 -10.489 2.352 2.931 258 H8 G 24 H8 G 24 -6.960 2.199 1.471 259 H1 G 24 H1 G 24 -7.132 2.475 7.873 260 H21 G 24 HN' G 24 -9.199 2.824 8.562 261 H22 G 24 HN'' G 24 -10.540 3.002 7.452 262 H5' C 25 H5' C 25 -11.555 6.686 2.310 263 H5'' C 25 H5'' C 25 -11.394 8.455 2.244 264 H4' C 25 H4' C 25 -11.916 7.704 4.549 265 H3' C 25 H3' C 25 -9.102 8.830 4.121 266 H2' C 25 H2' C 25 -8.779 8.656 6.439 267 HO2' C 25 HO2' C 25 -11.615 8.477 6.525 268 H1' C 25 H1' C 25 -10.069 6.215 6.739 269 H41 C 25 HN' C 25 -3.741 5.319 6.631 270 H42 C 25 HN'' C 25 -3.733 5.473 4.888 271 H5 C 25 H5 C 25 -5.693 5.996 3.601 272 H6 C 25 H6 C 25 -8.086 6.511 3.698 273 H5' U 26 H5' U 26 -10.864 10.675 7.240 274 H5'' U 26 H5'' U 26 -10.556 12.416 7.352 275 H4' U 26 H4' U 26 -10.013 11.325 9.496 276 H3' U 26 H3' U 26 -7.634 12.351 7.879 277 H2' U 26 H2' U 26 -6.264 11.822 9.696 278 HO2' U 26 HO2' U 26 -8.631 12.148 11.117 279 H1' U 26 H1' U 26 -7.580 9.462 10.379 280 H3 U 26 H3 U 26 -3.288 8.469 9.225 281 H5 U 26 H5 U 26 -5.145 9.443 5.571 282 H6 U 26 H6 U 26 -7.136 10.051 6.818 283 H5' U 27 H5' U 27 -7.445 13.765 11.638 284 H5'' U 27 H5'' U 27 -6.941 15.457 11.784 285 H4' U 27 H4' U 27 -5.551 14.061 13.248 286 H3' U 27 H3' U 27 -4.157 15.191 10.770 287 H2' U 27 H2' U 27 -2.147 14.335 11.617 288 HO2' U 27 HO2' U 27 -3.573 14.225 14.080 289 H1' U 27 H1' U 27 -3.236 11.982 12.650 290 H3 U 27 H3 U 27 -0.182 10.857 9.474 291 H5 U 27 H5 U 27 -3.460 12.349 7.287 292 H6 U 27 H6 U 27 -4.503 12.962 9.390 293 H5' U 28 H5' U 28 -1.983 16.207 14.073 294 H5'' U 28 H5'' U 28 -1.234 17.812 13.998 295 H4' U 28 H4' U 28 0.492 16.116 14.451 296 H3' U 28 H3' U 28 0.540 17.347 11.665 297 H2' U 28 H2' U 28 2.560 16.219 11.286 298 HO2' U 28 HO2' U 28 2.712 15.246 13.931 299 H1' U 28 H1' U 28 1.806 13.867 12.558 300 H3 U 28 H3 U 28 2.495 13.025 8.129 301 H5 U 28 H5 U 28 -1.103 15.216 8.225 302 H6 U 28 H6 U 28 -0.785 15.510 10.610 303 H5' U 29 H5' U 29 4.207 17.811 13.694 304 H5'' U 29 H5'' U 29 4.996 19.362 13.359 305 H4' U 29 H4' U 29 6.622 17.562 13.042 306 H3' U 29 H3' U 29 5.622 18.891 10.487 307 H2' U 29 H2' U 29 7.224 17.651 9.313 308 HO2' U 29 HO2' U 29 9.084 17.178 10.206 309 H1' U 29 H1' U 29 6.853 15.292 10.717 310 H3 U 29 H3 U 29 5.497 14.662 6.410 311 H5 U 29 H5 U 29 2.495 17.092 8.095 312 H6 U 29 H6 U 29 3.830 17.230 10.115 313 H5' G 30 H5' G 30 9.672 18.995 10.564 314 H5'' G 30 H5'' G 30 10.367 20.528 10.012 315 H4' G 30 H4' G 30 11.404 18.695 8.771 316 H3' G 30 H3' G 30 9.428 20.416 7.192 317 H2' G 30 H2' G 30 10.017 19.209 5.276 318 HO2' G 30 HO2' G 30 11.975 17.612 5.848 319 H1' G 30 H1' G 30 10.402 16.742 6.571 320 H8 G 30 H8 G 30 7.077 18.435 7.375 321 H1 G 30 H1 G 30 7.133 15.356 1.754 322 H21 G 30 HN' G 30 9.166 14.689 1.265 323 H22 G 30 HN'' G 30 10.537 14.998 2.308 324 H5' C 31 H5' C 31 12.861 20.314 5.003 325 H5'' C 31 H5'' C 31 13.291 21.879 4.290 326 H4' C 31 H4' C 31 13.237 20.178 2.523 327 H3' C 31 H3' C 31 10.930 22.176 2.519 328 H2' C 31 H2' C 31 10.162 21.234 0.524 329 HO2' C 31 HO2' C 31 11.874 19.459 -0.280 330 H1' C 31 H1' C 31 10.881 18.595 1.136 331 H41 C 31 HN' C 31 4.541 19.307 1.564 332 H42 C 31 HN'' C 31 4.729 20.086 3.120 333 H5 C 31 H5 C 31 6.861 20.581 4.099 334 H6 C 31 H6 C 31 9.286 20.453 3.807 335 H5' U 32 H5' U 32 12.499 22.115 -1.247 336 H5'' U 32 H5'' U 32 12.732 23.731 -1.936 337 H4' U 32 H4' U 32 11.508 22.323 -3.534 338 H3' U 32 H3' U 32 9.959 24.526 -2.121 339 HO3' U 32 H3T U 32 10.266 24.674 -4.824 340 H2' U 32 H2' U 32 8.024 23.972 -3.247 341 HO2' U 32 HO2' U 32 9.600 22.560 -5.165 342 H1' U 32 H1' U 32 8.600 21.212 -3.592 343 H3 U 32 H3 U 32 4.465 21.420 -1.717 344 H5 U 32 H5 U 32 7.046 22.784 1.321 345 H6 U 32 H6 U 32 8.873 22.676 -0.269 346 H7 0EC 101 H7 LIG 33 -4.430 -3.504 8.287 347 H10 0EC 101 H10 LIG 33 -4.011 -5.750 4.042 348 HN14 0EC 101 H14 LIG 33 -1.678 2.933 4.839 349 H12 0EC 101 H121 LIG 33 -1.889 0.015 7.571 350 H12A 0EC 101 H122 LIG 33 -3.514 0.107 6.870 351 H13 0EC 101 H131 LIG 33 -3.261 2.281 6.442 352 H13A 0EC 101 H132 LIG 33 -1.677 2.240 7.262 353 HN5 0EC 101 H52 LIG 33 -3.600 -4.481 2.550 354 H15 0EC 101 H152 LIG 33 0.138 1.669 6.134 355 HN5A 0EC 101 H51 LIG 33 -1.907 -4.061 2.486 356 H15A 0EC 101 H151 LIG 33 0.092 1.530 4.354 357 H16 0EC 101 H162 LIG 33 -0.119 -0.576 6.185 358 H16A 0EC 101 H161 LIG 33 -0.445 -0.638 4.444 359 H8A 0EC 101 H81 LIG 33 -8.390 -4.132 7.389 360 H8AA 0EC 101 H83 LIG 33 -6.967 -3.082 7.544 361 H8AB 0EC 101 H82 LIG 33 -7.285 -3.934 6.016 362 H9A 0EC 101 H91 LIG 33 -7.036 -8.205 5.755 363 H9AA 0EC 101 H93 LIG 33 -7.190 -6.669 6.630 364 H9AB 0EC 101 H92 LIG 33 -7.059 -6.677 4.853 Start of MODEL 13 1 H5' G 1 H5' G 1 -8.864 12.736 -1.191 2 H5'' G 1 H5'' G 1 -8.022 14.303 -1.252 3 H4' G 1 H4' G 1 -6.452 12.480 -0.687 4 H3' G 1 H3' G 1 -6.279 13.662 -3.490 5 H2' G 1 H2' G 1 -4.426 12.306 -3.944 6 HO2' G 1 HO2' G 1 -3.075 12.440 -2.280 7 H1' G 1 H1' G 1 -5.287 10.070 -2.521 8 H8 G 1 H8 G 1 -7.828 11.715 -4.893 9 H1 G 1 H1 G 1 -3.704 7.752 -7.786 10 H21 G 1 HN' G 1 -2.196 7.039 -6.359 11 H22 G 1 HN'' G 1 -2.175 7.541 -4.679 12 HO5' G 1 H5T G 1 -9.235 14.281 -3.046 13 H5' A 2 H5' A 2 -3.473 15.939 -5.224 14 H5'' A 2 H5'' A 2 -3.732 14.185 -5.302 15 H4' A 2 H4' A 2 -1.612 14.752 -6.426 16 H3' A 2 H3' A 2 -1.442 13.327 -3.752 17 H2' A 2 H2' A 2 0.890 13.265 -3.907 18 HO2' A 2 HO2' A 2 0.371 13.413 -6.627 19 H1' A 2 H1' A 2 1.234 15.790 -4.954 20 H8 A 2 H8 A 2 -1.367 15.600 -2.138 21 H61 A 2 HN' A 2 3.408 15.828 1.793 22 H62 A 2 HN'' A 2 1.666 15.842 1.641 23 H2 A 2 H2 A 2 5.045 15.485 -2.367 24 H5' G 3 H5' G 3 1.101 11.492 -6.335 25 H5'' G 3 H5'' G 3 1.029 9.720 -6.292 26 H4' G 3 H4' G 3 3.366 10.464 -6.047 27 H3' G 3 H3' G 3 2.055 9.331 -3.526 28 H2' G 3 H2' G 3 4.132 9.469 -2.445 29 HO2' G 3 HO2' G 3 5.782 10.309 -4.403 30 H1' G 3 H1' G 3 4.918 11.860 -3.658 31 H8 G 3 H8 G 3 1.365 11.890 -2.251 32 H1 G 3 H1 G 3 5.914 12.708 2.190 33 H21 G 3 HN' G 3 7.905 12.402 1.314 34 H22 G 3 HN'' G 3 8.141 11.981 -0.368 35 H5' U 4 H5' U 4 5.556 7.395 -4.089 36 H5'' U 4 H5'' U 4 5.514 5.658 -3.734 37 H4' U 4 H4' U 4 7.341 6.712 -2.470 38 H3' U 4 H3' U 4 4.925 5.836 -0.824 39 H2' U 4 H2' U 4 6.164 6.344 1.108 40 HO2' U 4 HO2' U 4 8.410 6.741 1.023 41 H1' U 4 H1' U 4 7.318 8.656 0.085 42 H3 U 4 H3 U 4 4.648 9.782 3.601 43 H5 U 4 H5 U 4 1.952 8.801 0.515 44 H6 U 4 H6 U 4 3.846 8.122 -0.838 45 H5' A 5 H5' A 5 8.466 4.073 0.634 46 H5'' A 5 H5'' A 5 8.223 2.401 1.170 47 H4' A 5 H4' A 5 9.386 3.660 2.931 48 H3' A 5 H3' A 5 6.467 3.049 3.481 49 H2' A 5 H2' A 5 6.811 3.812 5.675 50 HO2' A 5 HO2' A 5 9.593 3.618 5.030 51 H1' A 5 H1' A 5 8.433 5.955 4.918 52 H8 A 5 H8 A 5 5.276 5.454 2.790 53 H61 A 5 HN' A 5 2.199 8.529 7.162 54 H62 A 5 HN'' A 5 2.119 7.795 5.577 55 H2 A 5 H2 A 5 6.394 7.871 8.632 56 H5' G 6 H5' G 6 8.932 1.618 6.467 57 H5'' G 6 H5'' G 6 8.449 0.043 7.121 58 H4' G 6 H4' G 6 8.779 1.661 8.958 59 H3' G 6 H3' G 6 5.892 0.875 8.400 60 H2' G 6 H2' G 6 5.227 2.118 10.252 61 HO2' G 6 HO2' G 6 7.952 2.261 11.104 62 H1' G 6 H1' G 6 7.218 4.109 9.981 63 H8 G 6 H8 G 6 5.060 3.397 6.897 64 H1 G 6 H1 G 6 2.198 7.123 11.259 65 H21 G 6 HN' G 6 3.420 7.254 13.079 66 H22 G 6 HN'' G 6 4.949 6.421 13.249 67 H5' A 7 H5' A 7 6.713 0.562 12.298 68 H5'' A 7 H5'' A 7 6.072 -0.871 13.127 69 H4' A 7 H4' A 7 5.419 1.210 14.319 70 H3' A 7 H3' A 7 3.168 -0.338 12.920 71 H2' A 7 H2' A 7 1.640 1.200 13.825 72 HO2' A 7 HO2' A 7 2.796 2.822 15.412 73 H1' A 7 H1' A 7 3.297 3.439 13.603 74 H8 A 7 H8 A 7 3.104 1.370 10.394 75 H61 A 7 HN' A 7 -1.938 4.675 9.034 76 H62 A 7 HN'' A 7 -0.767 3.515 8.446 77 H2 A 7 H2 A 7 -0.771 5.602 13.266 78 H5' A 8 H5' A 8 1.914 0.421 16.728 79 H5'' A 8 H5'' A 8 1.097 -0.929 17.532 80 H4' A 8 H4' A 8 -0.343 1.026 17.678 81 H3' A 8 H3' A 8 -1.264 -1.109 15.701 82 H2' A 8 H2' A 8 -3.181 0.198 15.352 83 HO2' A 8 HO2' A 8 -3.675 1.960 16.835 84 H1' A 8 H1' A 8 -1.945 2.702 15.646 85 H8 A 8 H8 A 8 -0.213 0.364 13.163 86 H61 A 8 HN' A 8 -4.274 2.424 8.977 87 H62 A 8 HN'' A 8 -2.840 1.458 9.242 88 H2 A 8 H2 A 8 -5.468 4.040 12.986 89 H5' A 9 H5' A 9 -4.377 -0.219 18.379 90 H5'' A 9 H5'' A 9 -5.284 -1.653 18.899 91 H4' A 9 H4' A 9 -6.858 0.052 18.087 92 H3' A 9 H3' A 9 -6.507 -2.342 16.198 93 H2' A 9 H2' A 9 -8.125 -1.418 14.793 94 HO2' A 9 HO2' A 9 -9.090 -0.430 17.170 95 H1' A 9 H1' A 9 -7.486 1.272 15.302 96 H8 A 9 H8 A 9 -4.593 -1.025 14.281 97 H61 A 9 HN' A 9 -6.259 0.095 8.437 98 H62 A 9 HN'' A 9 -5.069 -0.645 9.483 99 H2 A 9 H2 A 9 -9.347 1.919 11.134 100 H5' C 10 H5' C 10 -10.529 -1.761 16.726 101 H5'' C 10 H5'' C 10 -11.454 -3.264 16.913 102 H4' C 10 H4' C 10 -12.437 -1.846 15.129 103 H3' C 10 H3' C 10 -11.034 -4.389 14.142 104 H2' C 10 H2' C 10 -11.720 -3.877 11.978 105 HO2' C 10 HO2' C 10 -13.660 -2.172 13.203 106 H1' C 10 H1' C 10 -11.657 -1.062 12.323 107 H41 C 10 HN' C 10 -7.080 -2.887 8.243 108 H42 C 10 HN'' C 10 -6.128 -3.501 9.577 109 H5 C 10 H5 C 10 -6.899 -3.520 11.849 110 H6 C 10 H6 C 10 -8.753 -2.970 13.348 111 H5' A 11 H5' A 11 -15.382 -4.254 13.083 112 H5'' A 11 H5'' A 11 -16.079 -5.852 13.430 113 H4' A 11 H4' A 11 -16.953 -5.100 11.282 114 H3' A 11 H3' A 11 -14.929 -7.285 11.417 115 H2' A 11 H2' A 11 -14.609 -7.395 9.142 116 HO2' A 11 HO2' A 11 -16.909 -5.901 8.495 117 H1' A 11 H1' A 11 -15.192 -4.739 8.437 118 H8 A 11 H8 A 11 -12.601 -6.302 10.942 119 H61 A 11 HN' A 11 -8.431 -4.850 6.606 120 H62 A 11 HN'' A 11 -8.682 -5.567 8.181 121 H2 A 11 H2 A 11 -12.467 -3.557 5.144 122 H5' A 12 H5' A 12 -17.873 -10.988 8.697 123 H5'' A 12 H5'' A 12 -16.279 -10.353 8.235 124 H4' A 12 H4' A 12 -18.933 -9.696 6.864 125 H3' A 12 H3' A 12 -16.654 -11.610 6.337 126 H2' A 12 H2' A 12 -16.496 -11.029 4.090 127 HO2' A 12 HO2' A 12 -19.182 -10.374 4.455 128 H1' A 12 H1' A 12 -17.017 -8.341 4.275 129 H8 A 12 H8 A 12 -14.635 -9.348 7.057 130 H61 A 12 HN' A 12 -10.152 -9.333 2.790 131 H62 A 12 HN'' A 12 -10.516 -9.449 4.497 132 H2 A 12 H2 A 12 -14.083 -8.859 0.684 133 H5' G 13 H5' G 13 -19.215 -12.219 3.246 134 H5'' G 13 H5'' G 13 -19.519 -13.921 2.860 135 H4' G 13 H4' G 13 -18.696 -12.751 0.852 136 H3' G 13 H3' G 13 -16.775 -14.700 2.181 137 H2' G 13 H2' G 13 -15.260 -14.357 0.411 138 HO2' G 13 HO2' G 13 -17.221 -12.830 -0.989 139 H1' G 13 H1' G 13 -15.660 -11.630 0.204 140 H8 G 13 H8 G 13 -15.449 -12.882 3.807 141 H1 G 13 H1 G 13 -9.731 -12.309 0.972 142 H21 G 13 HN' G 13 -9.967 -11.860 -1.158 143 H22 G 13 HN'' G 13 -11.533 -11.696 -1.922 144 H5' G 14 H5' G 14 -16.816 -15.530 -1.802 145 H5'' G 14 H5'' G 14 -16.938 -17.257 -2.180 146 H4' G 14 H4' G 14 -15.062 -16.275 -3.433 147 H3' G 14 H3' G 14 -14.328 -18.084 -1.086 148 H2' G 14 H2' G 14 -12.076 -17.915 -1.704 149 HO2' G 14 HO2' G 14 -11.410 -17.347 -3.731 150 H1' G 14 H1' G 14 -12.186 -15.234 -2.476 151 H8 G 14 H8 G 14 -13.840 -15.994 0.882 152 H1 G 14 H1 G 14 -7.450 -15.649 1.210 153 H21 G 14 HN' G 14 -6.583 -15.467 -0.791 154 H22 G 14 HN'' G 14 -7.557 -15.437 -2.245 155 H5' C 15 H5' C 15 -12.285 -19.528 -4.400 156 H5'' C 15 H5'' C 15 -12.383 -21.292 -4.540 157 H4' C 15 H4' C 15 -10.038 -20.619 -4.724 158 H3' C 15 H3' C 15 -10.840 -21.918 -2.081 159 H2' C 15 H2' C 15 -8.576 -21.918 -1.456 160 HO2' C 15 HO2' C 15 -7.124 -22.325 -2.924 161 H1' C 15 H1' C 15 -7.970 -19.445 -2.598 162 H41 C 15 HN' C 15 -8.446 -19.019 3.760 163 H42 C 15 HN'' C 15 -10.192 -19.026 3.642 164 H5 C 15 H5 C 15 -11.374 -19.279 1.569 165 H6 C 15 H6 C 15 -11.149 -19.605 -0.848 166 H5' U 16 H5' U 16 -7.593 -24.076 -3.383 167 H5'' U 16 H5'' U 16 -7.792 -25.824 -3.168 168 H4' U 16 H4' U 16 -5.688 -25.117 -2.112 169 H3' U 16 H3' U 16 -7.955 -25.821 -0.200 170 H2' U 16 H2' U 16 -6.517 -25.489 1.607 171 HO2' U 16 HO2' U 16 -4.120 -25.093 0.791 172 H1' U 16 H1' U 16 -5.030 -23.403 0.451 173 H3 U 16 H3 U 16 -6.789 -21.936 4.391 174 H5 U 16 H5 U 16 -10.114 -22.273 1.824 175 H6 U 16 H6 U 16 -8.644 -23.232 0.151 176 H5' U 17 H5' U 17 -5.855 -30.749 0.580 177 H5'' U 17 H5'' U 17 -6.674 -30.452 2.129 178 H4' U 17 H4' U 17 -4.408 -31.280 2.598 179 H3' U 17 H3' U 17 -5.514 -29.024 3.689 180 H2' U 17 H2' U 17 -4.532 -27.395 2.330 181 HO2' U 17 HO2' U 17 -3.459 -26.553 3.940 182 H1' U 17 H1' U 17 -1.906 -28.803 2.073 183 H3 U 17 H3 U 17 -1.200 -25.152 -0.554 184 H5 U 17 H5 U 17 -4.178 -27.367 -2.548 185 H6 U 17 H6 U 17 -4.341 -28.792 -0.590 186 H5' C 18 H5' C 18 -2.182 -27.817 5.194 187 H5'' C 18 H5'' C 18 -2.029 -27.940 6.958 188 H4' C 18 H4' C 18 -1.699 -25.589 6.124 189 H3' C 18 H3' C 18 -3.025 -26.459 8.319 190 H2' C 18 H2' C 18 -5.232 -26.235 7.539 191 HO2' C 18 HO2' C 18 -5.927 -24.564 8.652 192 H1' C 18 H1' C 18 -4.531 -23.773 5.959 193 H41 C 18 HN' C 18 -10.279 -25.017 3.608 194 H42 C 18 HN'' C 18 -9.661 -26.475 2.862 195 H5 C 18 H5 C 18 -7.446 -27.318 3.248 196 H6 C 18 H6 C 18 -5.321 -26.938 4.407 197 H5' G 19 H5' G 19 0.127 -24.901 8.819 198 H5'' G 19 H5'' G 19 0.660 -24.264 10.384 199 H4' G 19 H4' G 19 2.310 -23.156 9.309 200 H3' G 19 H3' G 19 -0.139 -21.750 8.236 201 H2' G 19 H2' G 19 1.018 -20.896 6.444 202 HO2' G 19 HO2' G 19 3.289 -20.409 6.616 203 H1' G 19 H1' G 19 3.239 -22.744 6.518 204 H8 G 19 H8 G 19 3.411 -23.481 4.068 205 H1 G 19 H1 G 19 -2.837 -22.551 3.009 206 H21 G 19 HN' G 19 -3.865 -21.998 4.870 207 H22 G 19 HN'' G 19 -3.029 -21.839 6.398 208 H5' G 20 H5' G 20 1.481 -16.746 7.631 209 H5'' G 20 H5'' G 20 -0.089 -17.568 7.734 210 H4' G 20 H4' G 20 2.031 -18.216 5.640 211 H3' G 20 H3' G 20 -0.263 -16.219 5.716 212 H2' G 20 H2' G 20 -0.930 -16.792 3.557 213 HO2' G 20 HO2' G 20 0.551 -18.258 2.299 214 H1' G 20 H1' G 20 -0.456 -19.504 3.683 215 H8 G 20 H8 G 20 -2.130 -17.976 6.790 216 H1 G 20 H1 G 20 -6.199 -19.420 2.053 217 H21 G 20 HN' G 20 -5.098 -20.026 0.255 218 H22 G 20 HN'' G 20 -3.350 -20.080 0.192 219 H5' C 21 H5' C 21 1.511 -15.548 2.088 220 H5'' C 21 H5'' C 21 1.834 -13.828 1.805 221 H4' C 21 H4' C 21 0.571 -14.729 -0.098 222 H3' C 21 H3' C 21 -0.967 -12.942 1.831 223 H2' C 21 H2' C 21 -2.849 -13.070 0.468 224 HO2' C 21 HO2' C 21 -1.952 -14.394 -1.709 225 H1' C 21 H1' C 21 -2.423 -15.715 -0.395 226 H41 C 21 HN' C 21 -7.385 -15.398 3.636 227 H42 C 21 HN'' C 21 -6.289 -15.229 4.989 228 H5 C 21 H5 C 21 -3.907 -15.072 4.747 229 H6 C 21 H6 C 21 -2.043 -15.032 3.159 230 H5' C 22 H5' C 22 -1.582 -11.427 -1.977 231 H5'' C 22 H5'' C 22 -1.445 -9.663 -2.045 232 H4' C 22 H4' C 22 -3.554 -10.336 -3.089 233 H3' C 22 H3' C 22 -3.762 -8.933 -0.384 234 H2' C 22 H2' C 22 -6.063 -9.106 -0.455 235 HO2' C 22 HO2' C 22 -5.787 -9.448 -3.280 236 H1' C 22 H1' C 22 -6.225 -11.478 -2.001 237 H41 C 22 HN' C 22 -8.453 -12.660 3.853 238 H42 C 22 HN'' C 22 -6.825 -12.630 4.497 239 H5 C 22 H5 C 22 -4.892 -12.101 3.175 240 H6 C 22 H6 C 22 -4.088 -11.471 0.950 241 H5' U 23 H5' U 23 -6.561 -7.380 -2.625 242 H5'' U 23 H5'' U 23 -6.169 -5.720 -3.110 243 H4' U 23 H4' U 23 -8.590 -5.956 -2.589 244 H3' U 23 H3' U 23 -6.912 -4.276 -0.637 245 H2' U 23 H2' U 23 -8.894 -3.717 0.484 246 HO2' U 23 HO2' U 23 -10.720 -4.914 -1.177 247 H1' U 23 H1' U 23 -10.130 -6.203 0.154 248 H3 U 23 H3 U 23 -9.678 -5.234 4.608 249 H5 U 23 H5 U 23 -5.813 -6.334 3.342 250 H6 U 23 H6 U 23 -6.650 -6.415 1.069 251 H5' G 24 H5' G 24 -10.235 -2.124 -1.829 252 H5'' G 24 H5'' G 24 -9.917 -0.399 -2.116 253 H4' G 24 H4' G 24 -11.791 -0.687 -0.521 254 H3' G 24 H3' G 24 -9.211 0.400 0.714 255 H2' G 24 H2' G 24 -10.393 0.661 2.731 256 HO2' G 24 HO2' G 24 -12.892 -0.081 2.072 257 H1' G 24 H1' G 24 -11.888 -1.676 2.491 258 H8 G 24 H8 G 24 -8.163 -2.108 1.749 259 H1 G 24 H1 G 24 -9.569 -1.825 7.997 260 H21 G 24 HN' G 24 -11.697 -1.313 8.272 261 H22 G 24 HN'' G 24 -12.777 -1.028 6.925 262 H5' C 25 H5' C 25 -12.463 2.723 1.754 263 H5'' C 25 H5'' C 25 -12.160 4.475 1.743 264 H4' C 25 H4' C 25 -13.168 3.772 3.897 265 H3' C 25 H3' C 25 -10.245 4.673 4.024 266 H2' C 25 H2' C 25 -10.381 4.481 6.358 267 HO2' C 25 HO2' C 25 -12.843 3.772 6.931 268 H1' C 25 H1' C 25 -11.892 2.152 6.379 269 H41 C 25 HN' C 25 -5.749 0.757 7.467 270 H42 C 25 HN'' C 25 -5.398 0.901 5.758 271 H5 C 25 H5 C 25 -7.030 1.573 4.128 272 H6 C 25 H6 C 25 -9.350 2.277 3.774 273 H5' U 26 H5' U 26 -12.406 6.671 6.771 274 H5'' U 26 H5'' U 26 -11.979 8.379 6.967 275 H4' U 26 H4' U 26 -11.936 7.242 9.156 276 H3' U 26 H3' U 26 -9.217 8.065 8.023 277 H2' U 26 H2' U 26 -8.261 7.423 10.057 278 HO2' U 26 HO2' U 26 -9.312 7.553 11.908 279 H1' U 26 H1' U 26 -9.871 5.181 10.441 280 H3 U 26 H3 U 26 -5.534 3.836 10.086 281 H5 U 26 H5 U 26 -6.595 4.964 6.167 282 H6 U 26 H6 U 26 -8.726 5.734 7.034 283 H5' U 27 H5' U 27 -9.570 9.482 11.764 284 H5'' U 27 H5'' U 27 -8.963 11.130 12.000 285 H4' U 27 H4' U 27 -7.954 9.644 13.671 286 H3' U 27 H3' U 27 -6.083 10.624 11.457 287 H2' U 27 H2' U 27 -4.315 9.620 12.623 288 HO2' U 27 HO2' U 27 -5.728 8.809 14.861 289 H1' U 27 H1' U 27 -5.750 7.378 13.465 290 H3 U 27 H3 U 27 -2.317 5.962 10.840 291 H5 U 27 H5 U 27 -5.054 7.683 8.139 292 H6 U 27 H6 U 27 -6.375 8.410 10.038 293 H5' U 28 H5' U 28 -4.391 11.505 15.062 294 H5'' U 28 H5'' U 28 -3.513 13.045 15.107 295 H4' U 28 H4' U 28 -2.023 11.225 15.831 296 H3' U 28 H3' U 28 -1.429 12.406 13.086 297 H2' U 28 H2' U 28 0.527 11.116 13.042 298 HO2' U 28 HO2' U 28 1.591 10.710 14.822 299 H1' U 28 H1' U 28 -0.611 8.852 14.184 300 H3 U 28 H3 U 28 0.716 7.880 9.931 301 H5 U 28 H5 U 28 -2.654 10.357 9.428 302 H6 U 28 H6 U 28 -2.706 10.666 11.832 303 H5' U 29 H5' U 29 1.886 12.615 15.690 304 H5'' U 29 H5'' U 29 2.844 14.092 15.479 305 H4' U 29 H4' U 29 4.347 12.161 15.446 306 H3' U 29 H3' U 29 3.893 13.507 12.749 307 H2' U 29 H2' U 29 5.558 12.117 11.871 308 HO2' U 29 HO2' U 29 7.146 11.300 13.060 309 H1' U 29 H1' U 29 4.773 9.829 13.226 310 H3 U 29 H3 U 29 4.120 9.188 8.759 311 H5 U 29 H5 U 29 1.075 11.878 9.875 312 H6 U 29 H6 U 29 2.056 11.969 12.091 313 H5' G 30 H5' G 30 7.868 13.283 13.524 314 H5'' G 30 H5'' G 30 8.775 14.740 13.087 315 H4' G 30 H4' G 30 9.854 12.796 12.069 316 H3' G 30 H3' G 30 8.345 14.634 10.145 317 H2' G 30 H2' G 30 9.156 13.332 8.379 318 HO2' G 30 HO2' G 30 10.924 11.893 8.666 319 H1' G 30 H1' G 30 9.094 10.877 9.749 320 H8 G 30 H8 G 30 5.831 12.844 9.930 321 H1 G 30 H1 G 30 6.637 9.656 4.429 322 H21 G 30 HN' G 30 8.664 8.822 4.316 323 H22 G 30 HN'' G 30 9.847 9.043 5.585 324 H5' C 31 H5' C 31 12.104 14.175 8.628 325 H5'' C 31 H5'' C 31 12.795 15.674 7.982 326 H4' C 31 H4' C 31 12.920 13.925 6.266 327 H3' C 31 H3' C 31 10.845 16.111 5.791 328 H2' C 31 H2' C 31 10.380 15.169 3.705 329 HO2' C 31 HO2' C 31 11.840 14.092 2.554 330 H1' C 31 H1' C 31 10.723 12.501 4.488 331 H41 C 31 HN' C 31 4.508 13.787 3.717 332 H42 C 31 HN'' C 31 4.479 14.600 5.267 333 H5 C 31 H5 C 31 6.431 14.936 6.617 334 H6 C 31 H6 C 31 8.847 14.584 6.783 335 H5' U 32 H5' U 32 13.081 15.784 2.392 336 H5'' U 32 H5'' U 32 13.589 17.349 1.735 337 H4' U 32 H4' U 32 12.565 16.003 -0.046 338 H3' U 32 H3' U 32 10.988 18.378 1.012 339 HO3' U 32 H3T U 32 12.614 17.825 -1.259 340 H2' U 32 H2' U 32 9.258 17.961 -0.454 341 HO2' U 32 HO2' U 32 11.319 16.887 -2.028 342 H1' U 32 H1' U 32 9.625 15.152 -0.640 343 H3 U 32 H3 U 32 5.252 15.794 0.419 344 H5 U 32 H5 U 32 7.340 17.017 3.868 345 H6 U 32 H6 U 32 9.412 16.693 2.652 346 H7 0EC 101 H7 LIG 33 -7.591 -7.871 8.677 347 H10 0EC 101 H10 LIG 33 -6.421 -10.293 4.657 348 HN14 0EC 101 H14 LIG 33 -3.522 -1.829 6.106 349 H12 0EC 101 H121 LIG 33 -4.348 -4.810 8.620 350 H12A 0EC 101 H122 LIG 33 -5.869 -4.559 7.746 351 H13 0EC 101 H131 LIG 33 -5.396 -2.404 7.406 352 H13A 0EC 101 H132 LIG 33 -3.967 -2.591 8.457 353 HN5 0EC 101 H52 LIG 33 -4.507 -8.273 3.090 354 H15 0EC 101 H152 LIG 33 -2.060 -3.331 7.591 355 HN5A 0EC 101 H51 LIG 33 -4.807 -9.784 3.909 356 H15A 0EC 101 H151 LIG 33 -1.829 -3.369 5.821 357 H16 0EC 101 H162 LIG 33 -2.496 -5.546 7.428 358 H16A 0EC 101 H161 LIG 33 -2.599 -5.466 5.661 359 H8A 0EC 101 H81 LIG 33 -9.854 -7.365 7.539 360 H8AA 0EC 101 H83 LIG 33 -9.975 -8.202 5.978 361 H8AB 0EC 101 H82 LIG 33 -11.292 -8.333 7.165 362 H9A 0EC 101 H91 LIG 33 -9.446 -10.972 4.586 363 H9AA 0EC 101 H93 LIG 33 -9.924 -12.411 5.509 364 H9AB 0EC 101 H92 LIG 33 -10.167 -10.785 6.197 Start of MODEL 14 1 H5' G 1 H5' G 1 -12.229 12.404 0.199 2 H5'' G 1 H5'' G 1 -11.682 14.066 -0.127 3 H4' G 1 H4' G 1 -9.763 12.516 0.007 4 H3' G 1 H3' G 1 -10.549 13.535 -2.755 5 H2' G 1 H2' G 1 -8.707 12.426 -3.682 6 HO2' G 1 HO2' G 1 -7.593 11.633 -1.245 7 H1' G 1 H1' G 1 -8.797 10.184 -2.027 8 H8 G 1 H8 G 1 -12.112 11.298 -3.625 9 H1 G 1 H1 G 1 -8.374 7.800 -7.482 10 H21 G 1 HN' G 1 -6.440 7.402 -6.521 11 H22 G 1 HN'' G 1 -6.038 8.005 -4.925 12 HO5' G 1 H5T G 1 -12.309 13.816 -2.261 13 H5' A 2 H5' A 2 -8.696 16.056 -5.260 14 H5'' A 2 H5'' A 2 -8.689 14.282 -5.219 15 H4' A 2 H4' A 2 -7.069 15.066 -6.902 16 H3' A 2 H3' A 2 -5.967 13.868 -4.343 17 H2' A 2 H2' A 2 -3.780 14.132 -5.127 18 HO2' A 2 HO2' A 2 -4.635 14.965 -7.697 19 H1' A 2 H1' A 2 -4.125 16.604 -6.291 20 H8 A 2 H8 A 2 -5.835 16.233 -2.875 21 H61 A 2 HN' A 2 -0.293 17.404 -0.380 22 H62 A 2 HN'' A 2 -1.994 17.158 -0.059 23 H2 A 2 H2 A 2 0.231 17.020 -4.817 24 H5' G 3 H5' G 3 -3.945 12.240 -7.474 25 H5'' G 3 H5'' G 3 -3.730 10.483 -7.362 26 H4' G 3 H4' G 3 -1.554 11.559 -7.786 27 H3' G 3 H3' G 3 -1.964 10.435 -4.970 28 H2' G 3 H2' G 3 0.280 10.933 -4.500 29 HO2' G 3 HO2' G 3 0.525 10.806 -7.293 30 H1' G 3 H1' G 3 0.341 13.324 -5.939 31 H8 G 3 H8 G 3 -2.688 12.943 -3.640 32 H1 G 3 H1 G 3 2.673 14.692 -0.591 33 H21 G 3 HN' G 3 4.391 14.615 -1.956 34 H22 G 3 HN'' G 3 4.246 14.120 -3.629 35 H5' U 4 H5' U 4 1.521 8.951 -6.392 36 H5'' U 4 H5'' U 4 1.825 7.254 -5.981 37 H4' U 4 H4' U 4 3.745 8.621 -5.284 38 H3' U 4 H3' U 4 1.984 7.563 -3.028 39 H2' U 4 H2' U 4 3.591 8.364 -1.510 40 HO2' U 4 HO2' U 4 5.268 8.376 -3.795 41 H1' U 4 H1' U 4 4.097 10.727 -2.880 42 H3 U 4 H3 U 4 2.273 11.744 1.169 43 H5 U 4 H5 U 4 -0.946 10.196 -1.067 44 H6 U 4 H6 U 4 0.621 9.677 -2.843 45 H5' A 5 H5' A 5 5.989 6.369 -2.475 46 H5'' A 5 H5'' A 5 6.123 4.722 -1.834 47 H4' A 5 H4' A 5 7.499 6.237 -0.476 48 H3' A 5 H3' A 5 4.919 5.308 0.821 49 H2' A 5 H2' A 5 5.686 6.261 2.826 50 HO2' A 5 HO2' A 5 7.774 6.497 3.269 51 H1' A 5 H1' A 5 6.754 8.531 1.604 52 H8 A 5 H8 A 5 3.272 7.472 0.372 53 H61 A 5 HN' A 5 0.967 10.465 5.248 54 H62 A 5 HN'' A 5 0.602 9.604 3.770 55 H2 A 5 H2 A 5 5.445 10.462 5.622 56 H5' G 6 H5' G 6 8.202 4.391 3.153 57 H5'' G 6 H5'' G 6 8.102 2.815 3.957 58 H4' G 6 H4' G 6 8.637 4.573 5.605 59 H3' G 6 H3' G 6 5.828 3.416 5.782 60 H2' G 6 H2' G 6 5.453 4.685 7.696 61 HO2' G 6 HO2' G 6 8.044 5.618 8.064 62 H1' G 6 H1' G 6 7.056 6.876 6.895 63 H8 G 6 H8 G 6 4.343 5.725 4.445 64 H1 G 6 H1 G 6 2.135 9.367 9.238 65 H21 G 6 HN' G 6 3.724 9.754 10.704 66 H22 G 6 HN'' G 6 5.344 9.115 10.529 67 H5' A 7 H5' A 7 7.555 3.436 9.389 68 H5'' A 7 H5'' A 7 7.310 1.987 10.385 69 H4' A 7 H4' A 7 6.679 4.036 11.639 70 H3' A 7 H3' A 7 4.386 2.163 10.829 71 H2' A 7 H2' A 7 2.917 3.556 12.025 72 HO2' A 7 HO2' A 7 3.982 5.329 13.344 73 H1' A 7 H1' A 7 4.184 5.957 11.370 74 H8 A 7 H8 A 7 3.535 3.692 8.355 75 H61 A 7 HN' A 7 -2.047 6.331 8.079 76 H62 A 7 HN'' A 7 -0.905 5.275 7.278 77 H2 A 7 H2 A 7 -0.082 7.636 11.896 78 H5' A 8 H5' A 8 3.904 2.942 14.801 79 H5'' A 8 H5'' A 8 3.447 1.547 15.789 80 H4' A 8 H4' A 8 1.838 3.324 16.194 81 H3' A 8 H3' A 8 0.794 1.006 14.508 82 H2' A 8 H2' A 8 -1.299 2.065 14.544 83 HO2' A 8 HO2' A 8 -1.977 3.229 16.205 84 H1' A 8 H1' A 8 -0.341 4.709 14.530 85 H8 A 8 H8 A 8 1.088 2.491 11.761 86 H61 A 8 HN' A 8 -3.997 3.897 8.533 87 H62 A 8 HN'' A 8 -2.433 3.115 8.492 88 H2 A 8 H2 A 8 -4.493 5.519 12.684 89 H5' A 9 H5' A 9 -1.772 1.693 17.746 90 H5'' A 9 H5'' A 9 -2.389 0.203 18.488 91 H4' A 9 H4' A 9 -4.273 1.698 17.968 92 H3' A 9 H3' A 9 -4.065 -0.755 16.136 93 H2' A 9 H2' A 9 -6.018 -0.071 15.062 94 HO2' A 9 HO2' A 9 -7.155 1.850 16.242 95 H1' A 9 H1' A 9 -5.591 2.697 15.357 96 H8 A 9 H8 A 9 -2.747 0.665 13.788 97 H61 A 9 HN' A 9 -5.734 1.325 8.420 98 H62 A 9 HN'' A 9 -4.273 0.764 9.200 99 H2 A 9 H2 A 9 -8.361 2.944 11.677 100 H5' C 10 H5' C 10 -7.917 -0.463 17.481 101 H5'' C 10 H5'' C 10 -8.641 -2.012 17.951 102 H4' C 10 H4' C 10 -10.119 -0.797 16.370 103 H3' C 10 H3' C 10 -8.757 -3.295 15.245 104 H2' C 10 H2' C 10 -9.922 -3.004 13.255 105 HO2' C 10 HO2' C 10 -11.780 -1.482 13.243 106 H1' C 10 H1' C 10 -10.056 -0.171 13.414 107 H41 C 10 HN' C 10 -6.333 -1.930 8.519 108 H42 C 10 HN'' C 10 -5.059 -2.365 9.637 109 H5 C 10 H5 C 10 -5.307 -2.273 12.022 110 H6 C 10 H6 C 10 -6.831 -1.759 13.866 111 H5' A 11 H5' A 11 -13.243 -3.416 15.348 112 H5'' A 11 H5'' A 11 -13.785 -5.036 15.838 113 H4' A 11 H4' A 11 -15.172 -4.193 13.970 114 H3' A 11 H3' A 11 -13.228 -6.444 13.301 115 H2' A 11 H2' A 11 -14.067 -6.501 11.118 116 HO2' A 11 HO2' A 11 -16.258 -6.567 11.476 117 H1' A 11 H1' A 11 -14.567 -3.741 10.925 118 H8 A 11 H8 A 11 -11.021 -4.512 12.062 119 H61 A 11 HN' A 11 -9.682 -5.502 6.102 120 H62 A 11 HN'' A 11 -9.031 -5.329 7.715 121 H2 A 11 H2 A 11 -14.125 -5.030 6.470 122 H5' A 12 H5' A 12 -15.437 -10.629 11.768 123 H5'' A 12 H5'' A 12 -13.993 -9.698 11.314 124 H4' A 12 H4' A 12 -16.655 -9.656 9.808 125 H3' A 12 H3' A 12 -14.043 -11.151 9.428 126 H2' A 12 H2' A 12 -14.096 -10.782 7.125 127 HO2' A 12 HO2' A 12 -16.861 -10.451 7.583 128 H1' A 12 H1' A 12 -15.168 -8.232 7.159 129 H8 A 12 H8 A 12 -12.355 -8.609 9.706 130 H61 A 12 HN' A 12 -8.439 -7.865 4.972 131 H62 A 12 HN'' A 12 -8.592 -7.987 6.710 132 H2 A 12 H2 A 12 -12.583 -8.260 3.304 133 H5' G 13 H5' G 13 -16.678 -12.482 6.534 134 H5'' G 13 H5'' G 13 -16.682 -14.240 6.316 135 H4' G 13 H4' G 13 -16.346 -13.139 4.138 136 H3' G 13 H3' G 13 -13.898 -14.518 5.316 137 H2' G 13 H2' G 13 -12.743 -14.062 3.320 138 HO2' G 13 HO2' G 13 -15.295 -14.102 2.274 139 H1' G 13 H1' G 13 -13.818 -11.523 2.945 140 H8 G 13 H8 G 13 -12.696 -12.256 6.521 141 H1 G 13 H1 G 13 -7.857 -10.772 2.592 142 H21 G 13 HN' G 13 -8.556 -10.647 0.521 143 H22 G 13 HN'' G 13 -10.222 -10.928 0.066 144 H5' G 14 H5' G 14 -14.352 -15.820 1.450 145 H5'' G 14 H5'' G 14 -14.129 -17.568 1.257 146 H4' G 14 H4' G 14 -12.731 -16.381 -0.382 147 H3' G 14 H3' G 14 -11.252 -17.663 1.959 148 H2' G 14 H2' G 14 -9.223 -17.097 0.934 149 HO2' G 14 HO2' G 14 -10.751 -16.571 -1.429 150 H1' G 14 H1' G 14 -10.078 -14.627 -0.045 151 H8 G 14 H8 G 14 -10.971 -15.297 3.609 152 H1 G 14 H1 G 14 -4.877 -13.510 2.759 153 H21 G 14 HN' G 14 -4.396 -13.397 0.626 154 H22 G 14 HN'' G 14 -5.560 -13.767 -0.627 155 H5' C 15 H5' C 15 -9.450 -19.033 -1.509 156 H5'' C 15 H5'' C 15 -9.115 -20.772 -1.470 157 H4' C 15 H4' C 15 -7.074 -19.589 -2.125 158 H3' C 15 H3' C 15 -7.100 -20.694 0.722 159 H2' C 15 H2' C 15 -4.842 -20.075 0.917 160 HO2' C 15 HO2' C 15 -4.942 -20.051 -1.915 161 H1' C 15 H1' C 15 -5.081 -17.694 -0.518 162 H41 C 15 HN' C 15 -4.650 -16.593 5.761 163 H42 C 15 HN'' C 15 -6.331 -17.033 5.966 164 H5 C 15 H5 C 15 -7.718 -17.822 4.173 165 H6 C 15 H6 C 15 -7.797 -18.388 1.792 166 H5' U 16 H5' U 16 -3.651 -22.141 -0.946 167 H5'' U 16 H5'' U 16 -3.350 -23.844 -0.559 168 H4' U 16 H4' U 16 -1.371 -22.515 0.045 169 H3' U 16 H3' U 16 -3.053 -23.510 2.383 170 H2' U 16 H2' U 16 -1.483 -22.623 3.867 171 HO2' U 16 HO2' U 16 0.563 -21.748 2.596 172 H1' U 16 H1' U 16 -0.805 -20.390 2.303 173 H3 U 16 H3 U 16 -2.262 -18.973 6.388 174 H5 U 16 H5 U 16 -5.737 -20.371 4.457 175 H6 U 16 H6 U 16 -4.339 -21.129 2.628 176 H5' U 17 H5' U 17 0.391 -27.610 3.192 177 H5'' U 17 H5'' U 17 -0.289 -27.369 4.815 178 H4' U 17 H4' U 17 2.160 -27.507 5.006 179 H3' U 17 H3' U 17 0.608 -25.536 6.094 180 H2' U 17 H2' U 17 0.904 -23.855 4.495 181 HO2' U 17 HO2' U 17 1.964 -22.500 5.698 182 H1' U 17 H1' U 17 3.768 -24.502 3.937 183 H3 U 17 H3 U 17 3.021 -21.110 0.989 184 H5 U 17 H5 U 17 0.622 -24.292 -0.377 185 H6 U 17 H6 U 17 1.132 -25.478 1.678 186 H5' C 18 H5' C 18 3.679 -23.333 6.956 187 H5'' C 18 H5'' C 18 4.080 -23.194 8.679 188 H4' C 18 H4' C 18 3.660 -20.959 7.591 189 H3' C 18 H3' C 18 2.938 -21.840 10.047 190 H2' C 18 H2' C 18 0.665 -22.283 9.633 191 HO2' C 18 HO2' C 18 0.080 -19.585 9.667 192 H1' C 18 H1' C 18 0.449 -19.948 7.749 193 H41 C 18 HN' C 18 -5.022 -22.892 6.518 194 H42 C 18 HN'' C 18 -4.146 -24.234 5.814 195 H5 C 18 H5 C 18 -1.755 -24.436 5.894 196 H6 C 18 H6 C 18 0.330 -23.385 6.640 197 H5' G 19 H5' G 19 5.611 -19.626 9.929 198 H5'' G 19 H5'' G 19 6.181 -18.670 11.308 199 H4' G 19 H4' G 19 7.397 -17.422 9.869 200 H3' G 19 H3' G 19 4.583 -16.712 9.031 201 H2' G 19 H2' G 19 5.288 -15.913 6.996 202 HO2' G 19 HO2' G 19 7.884 -15.388 7.239 203 H1' G 19 H1' G 19 7.853 -17.243 6.940 204 H8 G 19 H8 G 19 7.871 -18.236 4.580 205 H1 G 19 H1 G 19 1.499 -18.867 4.433 206 H21 G 19 HN' G 19 0.619 -18.301 6.365 207 H22 G 19 HN'' G 19 1.584 -17.750 7.717 208 H5' G 20 H5' G 20 4.890 -11.684 7.542 209 H5'' G 20 H5'' G 20 3.598 -12.797 8.037 210 H4' G 20 H4' G 20 5.509 -13.344 5.723 211 H3' G 20 H3' G 20 2.840 -11.894 5.903 212 H2' G 20 H2' G 20 2.038 -12.977 4.002 213 HO2' G 20 HO2' G 20 4.784 -13.516 3.473 214 H1' G 20 H1' G 20 3.154 -15.459 4.434 215 H8 G 20 H8 G 20 1.646 -13.932 7.596 216 H1 G 20 H1 G 20 -2.682 -16.636 3.719 217 H21 G 20 HN' G 20 -1.757 -17.197 1.811 218 H22 G 20 HN'' G 20 -0.066 -16.912 1.461 219 H5' C 21 H5' C 21 3.889 -11.541 1.969 220 H5'' C 21 H5'' C 21 3.769 -9.871 1.385 221 H4' C 21 H4' C 21 2.495 -11.342 -0.115 222 H3' C 21 H3' C 21 0.881 -9.580 1.767 223 H2' C 21 H2' C 21 -1.099 -10.318 0.789 224 HO2' C 21 HO2' C 21 -1.241 -10.973 -1.275 225 H1' C 21 H1' C 21 -0.211 -12.938 0.260 226 H41 C 21 HN' C 21 -4.522 -12.866 4.995 227 H42 C 21 HN'' C 21 -3.302 -12.286 6.106 228 H5 C 21 H5 C 21 -1.064 -11.737 5.441 229 H6 C 21 H6 C 21 0.506 -11.615 3.564 230 H5' C 22 H5' C 22 -0.623 -8.964 -2.034 231 H5'' C 22 H5'' C 22 -0.897 -7.251 -2.393 232 H4' C 22 H4' C 22 -2.930 -8.505 -2.922 233 H3' C 22 H3' C 22 -3.035 -6.709 -0.452 234 H2' C 22 H2' C 22 -5.232 -7.325 -0.077 235 HO2' C 22 HO2' C 22 -5.889 -8.642 -2.358 236 H1' C 22 H1' C 22 -5.090 -9.924 -1.198 237 H41 C 22 HN' C 22 -6.085 -10.419 5.078 238 H42 C 22 HN'' C 22 -4.426 -9.962 5.394 239 H5 C 22 H5 C 22 -2.881 -9.325 3.671 240 H6 C 22 H6 C 22 -2.584 -8.970 1.266 241 H5' U 23 H5' U 23 -6.399 -5.994 -2.400 242 H5'' U 23 H5'' U 23 -6.561 -4.306 -2.918 243 H4' U 23 H4' U 23 -8.667 -5.110 -1.888 244 H3' U 23 H3' U 23 -7.031 -3.040 -0.320 245 H2' U 23 H2' U 23 -8.768 -2.937 1.258 246 HO2' U 23 HO2' U 23 -10.828 -3.822 0.831 247 H1' U 23 H1' U 23 -9.381 -5.646 1.215 248 H3 U 23 H3 U 23 -7.924 -4.265 5.356 249 H5 U 23 H5 U 23 -4.431 -4.776 3.056 250 H6 U 23 H6 U 23 -5.838 -5.146 1.117 251 H5' G 24 H5' G 24 -11.001 -1.679 -0.761 252 H5'' G 24 H5'' G 24 -11.110 0.069 -1.065 253 H4' G 24 H4' G 24 -12.553 -0.570 0.841 254 H3' G 24 H3' G 24 -10.065 1.041 1.613 255 H2' G 24 H2' G 24 -10.897 1.086 3.816 256 HO2' G 24 HO2' G 24 -13.346 -0.093 3.017 257 H1' G 24 H1' G 24 -11.874 -1.516 3.802 258 H8 G 24 H8 G 24 -8.352 -1.122 2.352 259 H1 G 24 H1 G 24 -8.570 -1.150 8.758 260 H21 G 24 HN' G 24 -10.666 -1.128 9.446 261 H22 G 24 HN'' G 24 -12.018 -1.094 8.335 262 H5' C 25 H5' C 25 -13.426 2.729 3.319 263 H5'' C 25 H5'' C 25 -13.458 4.505 3.254 264 H4' C 25 H4' C 25 -13.860 3.724 5.565 265 H3' C 25 H3' C 25 -11.155 5.081 5.085 266 H2' C 25 H2' C 25 -10.782 4.951 7.402 267 HO2' C 25 HO2' C 25 -13.174 3.834 8.177 268 H1' C 25 H1' C 25 -11.831 2.405 7.722 269 H41 C 25 HN' C 25 -5.453 2.092 7.437 270 H42 C 25 HN'' C 25 -5.508 2.242 5.694 271 H5 C 25 H5 C 25 -7.543 2.582 4.463 272 H6 C 25 H6 C 25 -9.970 2.876 4.627 273 H5' U 26 H5' U 26 -12.908 6.869 8.241 274 H5'' U 26 H5'' U 26 -12.719 8.630 8.276 275 H4' U 26 H4' U 26 -11.985 7.680 10.423 276 H3' U 26 H3' U 26 -9.775 8.751 8.617 277 H2' U 26 H2' U 26 -8.261 8.392 10.362 278 HO2' U 26 HO2' U 26 -9.460 7.567 12.460 279 H1' U 26 H1' U 26 -9.390 5.998 11.235 280 H3 U 26 H3 U 26 -5.133 5.181 9.841 281 H5 U 26 H5 U 26 -7.269 5.894 6.280 282 H6 U 26 H6 U 26 -9.208 6.449 7.629 283 H5' U 27 H5' U 27 -9.444 10.361 12.303 284 H5'' U 27 H5'' U 27 -9.019 12.080 12.337 285 H4' U 27 H4' U 27 -7.483 10.831 13.786 286 H3' U 27 H3' U 27 -6.273 11.887 11.181 287 H2' U 27 H2' U 27 -4.184 11.173 11.971 288 HO2' U 27 HO2' U 27 -4.003 10.447 14.221 289 H1' U 27 H1' U 27 -5.107 8.830 13.170 290 H3 U 27 H3 U 27 -2.169 7.676 9.898 291 H5 U 27 H5 U 27 -5.612 8.923 7.813 292 H6 U 27 H6 U 27 -6.577 9.594 9.935 293 H5' U 28 H5' U 28 -3.968 13.193 14.286 294 H5'' U 28 H5'' U 28 -3.310 14.825 14.072 295 H4' U 28 H4' U 28 -1.472 13.250 14.513 296 H3' U 28 H3' U 28 -1.657 14.294 11.656 297 H2' U 28 H2' U 28 0.396 13.245 11.226 298 HO2' U 28 HO2' U 28 0.816 12.353 13.841 299 H1' U 28 H1' U 28 -0.161 10.947 12.681 300 H3 U 28 H3 U 28 0.295 9.856 8.276 301 H5 U 28 H5 U 28 -3.391 11.888 8.468 302 H6 U 28 H6 U 28 -2.944 12.346 10.807 303 H5' U 29 H5' U 29 2.103 15.089 13.397 304 H5'' U 29 H5'' U 29 2.776 16.653 12.906 305 H4' U 29 H4' U 29 4.480 14.925 12.595 306 H3' U 29 H3' U 29 3.235 16.006 10.031 307 H2' U 29 H2' U 29 4.828 14.773 8.838 308 HO2' U 29 HO2' U 29 6.279 15.086 11.139 309 H1' U 29 H1' U 29 4.696 12.509 10.431 310 H3 U 29 H3 U 29 3.111 11.473 6.283 311 H5 U 29 H5 U 29 0.079 13.855 7.983 312 H6 U 29 H6 U 29 1.527 14.222 9.894 313 H5' G 30 H5' G 30 7.269 16.340 9.817 314 H5'' G 30 H5'' G 30 7.830 17.866 9.112 315 H4' G 30 H4' G 30 8.894 16.007 7.933 316 H3' G 30 H3' G 30 6.717 17.490 6.378 317 H2' G 30 H2' G 30 7.254 16.178 4.516 318 HO2' G 30 HO2' G 30 9.503 14.941 5.592 319 H1' G 30 H1' G 30 7.875 13.842 5.953 320 H8 G 30 H8 G 30 4.508 15.392 6.863 321 H1 G 30 H1 G 30 4.399 11.917 1.478 322 H21 G 30 HN' G 30 6.434 11.337 0.899 323 H22 G 30 HN'' G 30 7.847 11.802 1.821 324 H5' C 31 H5' C 31 9.994 17.422 3.965 325 H5'' C 31 H5'' C 31 10.278 18.950 3.114 326 H4' C 31 H4' C 31 10.209 17.121 1.480 327 H3' C 31 H3' C 31 7.788 18.980 1.500 328 H2' C 31 H2' C 31 6.948 17.849 -0.364 329 HO2' C 31 HO2' C 31 8.209 16.937 -1.834 330 H1' C 31 H1' C 31 7.865 15.308 0.383 331 H41 C 31 HN' C 31 1.537 15.700 1.213 332 H42 C 31 HN'' C 31 1.783 16.602 2.692 333 H5 C 31 H5 C 31 3.942 17.284 3.479 334 H6 C 31 H6 C 31 6.345 17.269 3.023 335 H5' U 32 H5' U 32 9.091 18.724 -2.353 336 H5'' U 32 H5'' U 32 9.177 20.293 -3.171 337 H4' U 32 H4' U 32 7.932 18.702 -4.569 338 H3' U 32 H3' U 32 6.353 20.916 -3.207 339 HO3' U 32 H3T U 32 6.300 21.570 -5.517 340 H2' U 32 H2' U 32 4.382 20.172 -4.145 341 HO2' U 32 HO2' U 32 6.100 19.238 -6.169 342 H1' U 32 H1' U 32 5.100 17.430 -4.332 343 H3 U 32 H3 U 32 1.099 17.554 -2.179 344 H5 U 32 H5 U 32 3.800 19.278 0.558 345 H6 U 32 H6 U 32 5.514 19.151 -1.151 346 H7 0EC 101 H7 LIG 33 -4.764 -6.172 9.803 347 H10 0EC 101 H10 LIG 33 -4.119 -8.061 5.387 348 HN14 0EC 101 H14 LIG 33 -2.890 0.235 6.765 349 H12 0EC 101 H121 LIG 33 -2.263 -1.336 8.798 350 H12A 0EC 101 H122 LIG 33 -3.404 -2.656 9.109 351 H13 0EC 101 H131 LIG 33 -4.552 -2.159 6.978 352 H13A 0EC 101 H132 LIG 33 -4.578 -0.756 8.081 353 HN5 0EC 101 H52 LIG 33 -3.616 -6.623 4.033 354 H15 0EC 101 H152 LIG 33 -2.078 -0.968 4.908 355 HN5A 0EC 101 H51 LIG 33 -1.900 -6.323 4.132 356 H15A 0EC 101 H151 LIG 33 -3.231 -2.271 5.305 357 H16 0EC 101 H162 LIG 33 -0.872 -1.443 7.028 358 H16A 0EC 101 H161 LIG 33 -0.936 -2.872 5.982 359 H8A 0EC 101 H81 LIG 33 -7.324 -5.792 8.546 360 H8AA 0EC 101 H83 LIG 33 -7.356 -6.808 7.090 361 H8AB 0EC 101 H82 LIG 33 -8.626 -6.976 8.323 362 H9A 0EC 101 H91 LIG 33 -7.236 -9.379 7.845 363 H9AA 0EC 101 H93 LIG 33 -7.078 -9.247 6.082 364 H9AB 0EC 101 H92 LIG 33 -6.979 -10.841 6.872 Start of MODEL 15 1 H5' G 1 H5' G 1 -13.932 20.314 -2.116 2 H5'' G 1 H5'' G 1 -13.969 18.544 -2.286 3 H4' G 1 H4' G 1 -13.369 19.612 -4.428 4 H3' G 1 H3' G 1 -11.136 18.224 -2.896 5 H2' G 1 H2' G 1 -9.666 18.650 -4.683 6 HO2' G 1 HO2' G 1 -11.971 19.381 -6.205 7 H1' G 1 H1' G 1 -10.609 21.187 -5.273 8 H8 G 1 H8 G 1 -10.136 20.655 -1.532 9 H1 G 1 H1 G 1 -4.639 21.595 -4.690 10 H21 G 1 HN' G 1 -4.995 21.631 -6.856 11 H22 G 1 HN'' G 1 -6.587 21.408 -7.554 12 HO5' G 1 H5T G 1 -12.166 20.188 -0.893 13 H5' A 2 H5' A 2 -10.884 16.873 -6.784 14 H5'' A 2 H5'' A 2 -10.693 15.113 -6.904 15 H4' A 2 H4' A 2 -8.927 16.244 -8.216 16 H3' A 2 H3' A 2 -8.007 14.946 -5.612 17 H2' A 2 H2' A 2 -5.797 15.472 -6.161 18 HO2' A 2 HO2' A 2 -6.299 16.443 -8.729 19 H1' A 2 H1' A 2 -6.387 17.934 -7.353 20 H8 A 2 H8 A 2 -7.986 17.374 -3.923 21 H61 A 2 HN' A 2 -2.543 19.033 -1.489 22 H62 A 2 HN'' A 2 -4.212 18.634 -1.149 23 H2 A 2 H2 A 2 -2.040 18.709 -5.932 24 H5' G 3 H5' G 3 -5.593 13.638 -8.692 25 H5'' G 3 H5'' G 3 -5.205 11.909 -8.606 26 H4' G 3 H4' G 3 -3.130 13.204 -8.883 27 H3' G 3 H3' G 3 -3.565 11.998 -6.105 28 H2' G 3 H2' G 3 -1.408 12.713 -5.519 29 HO2' G 3 HO2' G 3 -0.975 13.140 -8.315 30 H1' G 3 H1' G 3 -1.526 15.118 -6.936 31 H8 G 3 H8 G 3 -4.591 14.395 -4.769 32 H1 G 3 H1 G 3 0.425 16.664 -1.487 33 H21 G 3 HN' G 3 2.197 16.784 -2.780 34 H22 G 3 HN'' G 3 2.172 16.298 -4.461 35 H5' U 4 H5' U 4 0.127 10.867 -7.351 36 H5'' U 4 H5'' U 4 0.564 9.203 -6.921 37 H4' U 4 H4' U 4 2.306 10.733 -6.111 38 H3' U 4 H3' U 4 0.501 9.534 -3.959 39 H2' U 4 H2' U 4 1.944 10.469 -2.350 40 HO2' U 4 HO2' U 4 3.751 11.185 -4.443 41 H1' U 4 H1' U 4 2.316 12.866 -3.700 42 H3 U 4 H3 U 4 0.151 13.723 0.214 43 H5 U 4 H5 U 4 -2.761 11.872 -2.204 44 H6 U 4 H6 U 4 -1.045 11.496 -3.874 45 H5' A 5 H5' A 5 4.527 8.650 -3.077 46 H5'' A 5 H5'' A 5 4.720 7.015 -2.418 47 H4' A 5 H4' A 5 5.859 8.615 -0.948 48 H3' A 5 H3' A 5 3.227 7.541 0.106 49 H2' A 5 H2' A 5 3.742 8.537 2.171 50 HO2' A 5 HO2' A 5 6.271 9.469 1.418 51 H1' A 5 H1' A 5 4.810 10.856 1.030 52 H8 A 5 H8 A 5 1.502 9.645 -0.495 53 H61 A 5 HN' A 5 -1.355 12.506 4.162 54 H62 A 5 HN'' A 5 -1.549 11.638 2.656 55 H2 A 5 H2 A 5 3.068 12.698 4.931 56 H5' G 6 H5' G 6 6.311 6.792 2.766 57 H5'' G 6 H5'' G 6 6.200 5.215 3.568 58 H4' G 6 H4' G 6 6.484 6.998 5.250 59 H3' G 6 H3' G 6 3.711 5.743 5.145 60 H2' G 6 H2' G 6 3.103 7.002 7.006 61 HO2' G 6 HO2' G 6 4.814 8.097 8.258 62 H1' G 6 H1' G 6 4.715 9.238 6.353 63 H8 G 6 H8 G 6 2.281 8.003 3.663 64 H1 G 6 H1 G 6 -0.475 11.596 8.202 65 H21 G 6 HN' G 6 0.955 12.033 9.810 66 H22 G 6 HN'' G 6 2.602 11.440 9.795 67 H5' A 7 H5' A 7 5.009 5.807 8.923 68 H5'' A 7 H5'' A 7 4.688 4.348 9.881 69 H4' A 7 H4' A 7 3.845 6.367 11.052 70 H3' A 7 H3' A 7 1.719 4.447 9.950 71 H2' A 7 H2' A 7 0.078 5.795 10.962 72 HO2' A 7 HO2' A 7 0.563 7.276 12.590 73 H1' A 7 H1' A 7 1.364 8.229 10.484 74 H8 A 7 H8 A 7 1.145 5.991 7.392 75 H61 A 7 HN' A 7 -4.431 8.491 6.464 76 H62 A 7 HN'' A 7 -3.172 7.476 5.796 77 H2 A 7 H2 A 7 -2.985 9.788 10.508 78 H5' A 8 H5' A 8 0.721 5.172 13.847 79 H5'' A 8 H5'' A 8 0.181 3.750 14.753 80 H4' A 8 H4' A 8 -1.512 5.479 14.983 81 H3' A 8 H3' A 8 -2.278 3.177 13.132 82 H2' A 8 H2' A 8 -4.387 4.187 12.931 83 HO2' A 8 HO2' A 8 -4.415 6.215 14.620 84 H1' A 8 H1' A 8 -3.499 6.849 13.078 85 H8 A 8 H8 A 8 -1.678 4.711 10.481 86 H61 A 8 HN' A 8 -6.342 6.070 6.652 87 H62 A 8 HN'' A 8 -4.768 5.321 6.800 88 H2 A 8 H2 A 8 -7.397 7.609 10.730 89 H5' A 9 H5' A 9 -5.270 3.688 16.025 90 H5'' A 9 H5'' A 9 -5.920 2.153 16.635 91 H4' A 9 H4' A 9 -7.780 3.585 15.912 92 H3' A 9 H3' A 9 -7.208 1.230 14.028 93 H2' A 9 H2' A 9 -9.047 1.874 12.738 94 HO2' A 9 HO2' A 9 -9.884 3.503 14.932 95 H1' A 9 H1' A 9 -8.772 4.637 13.170 96 H8 A 9 H8 A 9 -5.651 2.771 11.963 97 H61 A 9 HN' A 9 -7.882 3.494 6.246 98 H62 A 9 HN'' A 9 -6.522 2.965 7.210 99 H2 A 9 H2 A 9 -11.007 4.900 9.143 100 H5' C 10 H5' C 10 -11.236 1.181 14.822 101 H5'' C 10 H5'' C 10 -11.887 -0.449 15.083 102 H4' C 10 H4' C 10 -13.205 0.745 13.356 103 H3' C 10 H3' C 10 -11.441 -1.523 12.296 104 H2' C 10 H2' C 10 -12.356 -1.186 10.177 105 HO2' C 10 HO2' C 10 -14.510 -0.094 11.647 106 H1' C 10 H1' C 10 -12.735 1.604 10.491 107 H41 C 10 HN' C 10 -8.153 0.466 6.173 108 H42 C 10 HN'' C 10 -7.037 0.058 7.458 109 H5 C 10 H5 C 10 -7.664 -0.030 9.773 110 H6 C 10 H6 C 10 -9.498 0.239 11.370 111 H5' A 11 H5' A 11 -15.569 -2.205 11.223 112 H5'' A 11 H5'' A 11 -16.001 -3.925 11.346 113 H4' A 11 H4' A 11 -16.684 -3.062 9.145 114 H3' A 11 H3' A 11 -14.287 -4.921 9.237 115 H2' A 11 H2' A 11 -14.038 -4.794 6.931 116 HO2' A 11 HO2' A 11 -15.786 -4.949 5.760 117 H1' A 11 H1' A 11 -14.984 -2.155 6.622 118 H8 A 11 H8 A 11 -12.115 -3.025 9.092 119 H61 A 11 HN' A 11 -8.335 -1.850 4.335 120 H62 A 11 HN'' A 11 -8.431 -2.247 6.036 121 H2 A 11 H2 A 11 -12.559 -1.593 2.853 122 H5' A 12 H5' A 12 -17.916 -5.990 6.736 123 H5'' A 12 H5'' A 12 -18.201 -7.744 6.710 124 H4' A 12 H4' A 12 -18.563 -6.778 4.455 125 H3' A 12 H3' A 12 -16.087 -8.546 4.820 126 H2' A 12 H2' A 12 -15.584 -8.278 2.549 127 HO2' A 12 HO2' A 12 -17.094 -8.023 1.062 128 H1' A 12 H1' A 12 -16.410 -5.631 2.335 129 H8 A 12 H8 A 12 -14.171 -6.349 5.364 130 H61 A 12 HN' A 12 -9.394 -5.781 1.471 131 H62 A 12 HN'' A 12 -9.877 -5.966 3.142 132 H2 A 12 H2 A 12 -13.175 -5.689 -0.939 133 H5' G 13 H5' G 13 -18.159 -9.840 1.417 134 H5'' G 13 H5'' G 13 -18.214 -11.603 1.248 135 H4' G 13 H4' G 13 -17.390 -10.596 -0.846 136 H3' G 13 H3' G 13 -15.295 -12.042 0.825 137 H2' G 13 H2' G 13 -13.757 -11.714 -0.926 138 HO2' G 13 HO2' G 13 -15.983 -11.845 -2.445 139 H1' G 13 H1' G 13 -14.600 -9.139 -1.550 140 H8 G 13 H8 G 13 -14.233 -9.823 2.190 141 H1 G 13 H1 G 13 -8.653 -8.687 -0.748 142 H21 G 13 HN' G 13 -8.931 -8.586 -2.918 143 H22 G 13 HN'' G 13 -10.490 -8.798 -3.683 144 H5' G 14 H5' G 14 -15.020 -13.411 -3.007 145 H5'' G 14 H5'' G 14 -14.852 -15.170 -3.134 146 H4' G 14 H4' G 14 -13.098 -14.078 -4.473 147 H3' G 14 H3' G 14 -12.174 -15.397 -1.880 148 H2' G 14 H2' G 14 -9.960 -14.945 -2.486 149 HO2' G 14 HO2' G 14 -10.940 -15.260 -4.986 150 H1' G 14 H1' G 14 -10.490 -12.462 -3.668 151 H8 G 14 H8 G 14 -12.055 -12.971 -0.222 152 H1 G 14 H1 G 14 -5.818 -11.521 0.004 153 H21 G 14 HN' G 14 -4.956 -11.502 -2.009 154 H22 G 14 HN'' G 14 -5.895 -11.856 -3.443 155 H5' C 15 H5' C 15 -9.835 -16.904 -4.983 156 H5'' C 15 H5'' C 15 -9.620 -18.659 -4.880 157 H4' C 15 H4' C 15 -7.429 -17.607 -5.185 158 H3' C 15 H3' C 15 -8.001 -18.666 -2.377 159 H2' C 15 H2' C 15 -5.776 -18.181 -1.806 160 HO2' C 15 HO2' C 15 -5.363 -18.692 -4.437 161 H1' C 15 H1' C 15 -5.618 -15.822 -3.294 162 H41 C 15 HN' C 15 -6.113 -14.603 2.959 163 H42 C 15 HN'' C 15 -7.831 -14.933 2.900 164 H5 C 15 H5 C 15 -8.965 -15.676 0.919 165 H6 C 15 H6 C 15 -8.704 -16.292 -1.437 166 H5' U 16 H5' U 16 -4.415 -20.367 -3.416 167 H5'' U 16 H5'' U 16 -4.317 -22.082 -2.981 168 H4' U 16 H4' U 16 -2.377 -20.902 -2.041 169 H3' U 16 H3' U 16 -4.532 -21.711 -0.035 170 H2' U 16 H2' U 16 -3.170 -20.940 1.705 171 HO2' U 16 HO2' U 16 -0.875 -20.241 0.776 172 H1' U 16 H1' U 16 -2.067 -18.785 0.291 173 H3 U 16 H3 U 16 -4.147 -17.211 4.033 174 H5 U 16 H5 U 16 -7.298 -18.394 1.498 175 H6 U 16 H6 U 16 -5.645 -19.272 -0.042 176 H5' U 17 H5' U 17 -1.986 -26.137 1.443 177 H5'' U 17 H5'' U 17 -2.592 -25.673 3.047 178 H4' U 17 H4' U 17 -0.186 -26.145 3.230 179 H3' U 17 H3' U 17 -1.436 -23.865 4.130 180 H2' U 17 H2' U 17 -0.828 -22.380 2.434 181 HO2' U 17 HO2' U 17 0.458 -21.144 3.542 182 H1' U 17 H1' U 17 1.876 -23.589 1.995 183 H3 U 17 H3 U 17 1.892 -20.316 -1.169 184 H5 U 17 H5 U 17 -1.107 -23.004 -2.404 185 H6 U 17 H6 U 17 -0.879 -24.141 -0.272 186 H5' C 18 H5' C 18 1.718 -22.051 5.097 187 H5'' C 18 H5'' C 18 2.090 -21.954 6.829 188 H4' C 18 H4' C 18 1.906 -19.683 5.799 189 H3' C 18 H3' C 18 0.891 -20.553 8.177 190 H2' C 18 H2' C 18 -1.371 -20.736 7.564 191 HO2' C 18 HO2' C 18 -1.364 -19.054 9.074 192 H1' C 18 H1' C 18 -1.158 -18.361 5.725 193 H41 C 18 HN' C 18 -6.821 -20.612 3.997 194 H42 C 18 HN'' C 18 -6.050 -22.025 3.308 195 H5 C 18 H5 C 18 -3.710 -22.504 3.557 196 H6 C 18 H6 C 18 -1.584 -21.724 4.495 197 H5' G 19 H5' G 19 3.737 -18.342 8.359 198 H5'' G 19 H5'' G 19 4.222 -17.393 9.775 199 H4' G 19 H4' G 19 5.528 -16.151 8.410 200 H3' G 19 H3' G 19 2.768 -15.391 7.430 201 H2' G 19 H2' G 19 3.604 -14.562 5.457 202 HO2' G 19 HO2' G 19 5.111 -13.100 5.594 203 H1' G 19 H1' G 19 6.146 -15.936 5.525 204 H8 G 19 H8 G 19 6.288 -17.010 3.194 205 H1 G 19 H1 G 19 -0.082 -17.197 2.553 206 H21 G 19 HN' G 19 -1.068 -16.555 4.408 207 H22 G 19 HN'' G 19 -0.174 -16.058 5.828 208 H5' G 20 H5' G 20 3.357 -10.259 6.160 209 H5'' G 20 H5'' G 20 1.990 -11.363 6.421 210 H4' G 20 H4' G 20 4.127 -11.794 4.288 211 H3' G 20 H3' G 20 1.486 -10.279 4.291 212 H2' G 20 H2' G 20 0.893 -11.177 2.222 213 HO2' G 20 HO2' G 20 3.676 -11.690 1.975 214 H1' G 20 H1' G 20 1.904 -13.719 2.577 215 H8 G 20 H8 G 20 0.022 -12.287 5.603 216 H1 G 20 H1 G 20 -3.780 -14.873 1.139 217 H21 G 20 HN' G 20 -2.619 -15.398 -0.647 218 H22 G 20 HN'' G 20 -0.895 -15.117 -0.769 219 H5' C 21 H5' C 21 3.020 -9.618 0.535 220 H5'' C 21 H5'' C 21 2.993 -7.899 0.100 221 H4' C 21 H4' C 21 1.904 -9.192 -1.681 222 H3' C 21 H3' C 21 0.063 -7.585 0.143 223 H2' C 21 H2' C 21 -1.771 -8.199 -1.150 224 HO2' C 21 HO2' C 21 -0.759 -9.497 -3.247 225 H1' C 21 H1' C 21 -0.825 -10.768 -1.814 226 H41 C 21 HN' C 21 -5.726 -11.119 2.289 227 H42 C 21 HN'' C 21 -4.677 -10.628 3.600 228 H5 C 21 H5 C 21 -2.374 -10.029 3.295 229 H6 C 21 H6 C 21 -0.566 -9.747 1.666 230 H5' C 22 H5' C 22 -0.839 -6.470 -3.794 231 H5'' C 22 H5'' C 22 -1.044 -4.719 -3.961 232 H4' C 22 H4' C 22 -2.979 -5.836 -4.955 233 H3' C 22 H3' C 22 -3.452 -4.360 -2.332 234 H2' C 22 H2' C 22 -5.674 -4.983 -2.352 235 HO2' C 22 HO2' C 22 -6.588 -5.797 -4.450 236 H1' C 22 H1' C 22 -5.387 -7.417 -3.780 237 H41 C 22 HN' C 22 -7.316 -8.707 2.157 238 H42 C 22 HN'' C 22 -5.721 -8.335 2.774 239 H5 C 22 H5 C 22 -3.931 -7.517 1.399 240 H6 C 22 H6 C 22 -3.275 -6.858 -0.866 241 H5' U 23 H5' U 23 -6.468 -3.416 -4.778 242 H5'' U 23 H5'' U 23 -6.483 -1.691 -5.187 243 H4' U 23 H4' U 23 -8.777 -2.516 -4.692 244 H3' U 23 H3' U 23 -7.529 -0.562 -2.678 245 H2' U 23 H2' U 23 -9.579 -0.532 -1.536 246 HO2' U 23 HO2' U 23 -10.937 -2.066 -3.453 247 H1' U 23 H1' U 23 -10.177 -3.226 -1.914 248 H3 U 23 H3 U 23 -9.804 -2.199 2.548 249 H5 U 23 H5 U 23 -5.841 -2.505 1.150 250 H6 U 23 H6 U 23 -6.719 -2.724 -1.099 251 H5' G 24 H5' G 24 -11.293 0.777 -3.801 252 H5'' G 24 H5'' G 24 -11.384 2.536 -4.042 253 H4' G 24 H4' G 24 -13.143 1.783 -2.471 254 H3' G 24 H3' G 24 -10.885 3.405 -1.189 255 H2' G 24 H2' G 24 -12.102 3.334 0.825 256 HO2' G 24 HO2' G 24 -14.247 3.045 0.911 257 H1' G 24 H1' G 24 -12.995 0.719 0.530 258 H8 G 24 H8 G 24 -9.280 1.211 -0.240 259 H1 G 24 H1 G 24 -10.651 0.968 6.017 260 H21 G 24 HN' G 24 -12.837 0.944 6.314 261 H22 G 24 HN'' G 24 -13.967 0.998 4.978 262 H5' C 25 H5' C 25 -14.562 4.943 -0.079 263 H5'' C 25 H5'' C 25 -14.635 6.719 -0.085 264 H4' C 25 H4' C 25 -15.442 5.838 2.078 265 H3' C 25 H3' C 25 -12.737 7.273 2.161 266 H2' C 25 H2' C 25 -12.794 7.056 4.501 267 HO2' C 25 HO2' C 25 -14.987 5.918 5.216 268 H1' C 25 H1' C 25 -13.803 4.477 4.533 269 H41 C 25 HN' C 25 -7.471 4.327 5.399 270 H42 C 25 HN'' C 25 -7.216 4.546 3.682 271 H5 C 25 H5 C 25 -9.004 4.887 2.114 272 H6 C 25 H6 C 25 -11.429 5.116 1.846 273 H5' U 26 H5' U 26 -15.085 8.907 4.997 274 H5'' U 26 H5'' U 26 -14.945 10.668 5.130 275 H4' U 26 H4' U 26 -14.583 9.644 7.337 276 H3' U 26 H3' U 26 -12.110 10.822 5.991 277 H2' U 26 H2' U 26 -10.926 10.423 7.970 278 HO2' U 26 HO2' U 26 -13.478 10.000 9.193 279 H1' U 26 H1' U 26 -12.109 7.968 8.522 280 H3 U 26 H3 U 26 -7.658 7.318 7.819 281 H5 U 26 H5 U 26 -9.199 8.155 3.987 282 H6 U 26 H6 U 26 -11.350 8.598 5.019 283 H5' U 27 H5' U 27 -12.401 12.316 9.709 284 H5'' U 27 H5'' U 27 -12.024 14.041 9.854 285 H4' U 27 H4' U 27 -10.691 12.783 11.482 286 H3' U 27 H3' U 27 -9.137 13.916 9.100 287 H2' U 27 H2' U 27 -7.168 13.223 10.173 288 HO2' U 27 HO2' U 27 -8.512 12.441 12.528 289 H1' U 27 H1' U 27 -8.206 10.835 11.166 290 H3 U 27 H3 U 27 -4.811 9.827 8.314 291 H5 U 27 H5 U 27 -7.956 11.060 5.796 292 H6 U 27 H6 U 27 -9.223 11.655 7.776 293 H5' U 28 H5' U 28 -7.300 15.213 12.509 294 H5'' U 28 H5'' U 28 -6.658 16.862 12.402 295 H4' U 28 H4' U 28 -4.856 15.327 13.064 296 H3' U 28 H3' U 28 -4.693 16.380 10.206 297 H2' U 28 H2' U 28 -2.569 15.388 10.054 298 HO2' U 28 HO2' U 28 -2.048 14.268 12.347 299 H1' U 28 H1' U 28 -3.267 13.066 11.402 300 H3 U 28 H3 U 28 -2.216 12.040 7.084 301 H5 U 28 H5 U 28 -5.946 13.982 6.815 302 H6 U 28 H6 U 28 -5.816 14.423 9.196 303 H5' U 29 H5' U 29 -1.166 17.250 12.309 304 H5'' U 29 H5'' U 29 -0.508 18.844 11.898 305 H4' U 29 H4' U 29 1.279 17.186 11.718 306 H3' U 29 H3' U 29 0.208 18.222 9.057 307 H2' U 29 H2' U 29 1.957 17.072 8.005 308 HO2' U 29 HO2' U 29 3.103 16.431 10.534 309 H1' U 29 H1' U 29 1.795 14.805 9.600 310 H3 U 29 H3 U 29 0.683 13.682 5.322 311 H5 U 29 H5 U 29 -2.628 15.887 6.709 312 H6 U 29 H6 U 29 -1.393 16.338 8.748 313 H5' G 30 H5' G 30 4.219 18.776 9.122 314 H5'' G 30 H5'' G 30 4.736 20.332 8.453 315 H4' G 30 H4' G 30 5.971 18.543 7.337 316 H3' G 30 H3' G 30 3.799 19.881 5.648 317 H2' G 30 H2' G 30 4.531 18.604 3.828 318 HO2' G 30 HO2' G 30 6.938 18.656 5.240 319 H1' G 30 H1' G 30 5.225 16.322 5.325 320 H8 G 30 H8 G 30 1.703 17.613 6.004 321 H1 G 30 H1 G 30 2.203 14.162 0.627 322 H21 G 30 HN' G 30 4.310 13.740 0.180 323 H22 G 30 HN'' G 30 5.621 14.307 1.191 324 H5' C 31 H5' C 31 7.217 20.035 3.431 325 H5'' C 31 H5'' C 31 7.435 21.570 2.573 326 H4' C 31 H4' C 31 7.591 19.723 0.967 327 H3' C 31 H3' C 31 5.042 21.388 0.820 328 H2' C 31 H2' C 31 4.401 20.175 -1.072 329 HO2' C 31 HO2' C 31 6.164 18.619 -1.909 330 H1' C 31 H1' C 31 5.474 17.724 -0.230 331 H41 C 31 HN' C 31 -0.906 17.609 0.195 332 H42 C 31 HN'' C 31 -0.827 18.537 1.676 333 H5 C 31 H5 C 31 1.216 19.397 2.588 334 H6 C 31 H6 C 31 3.637 19.574 2.282 335 H5' U 32 H5' U 32 6.574 21.152 -2.964 336 H5'' U 32 H5'' U 32 6.617 22.724 -3.781 337 H4' U 32 H4' U 32 5.584 21.077 -5.269 338 H3' U 32 H3' U 32 3.765 23.149 -3.999 339 HO3' U 32 H3T U 32 4.668 22.774 -6.683 340 H2' U 32 H2' U 32 1.918 22.275 -5.071 341 HO2' U 32 HO2' U 32 3.775 21.748 -7.024 342 H1' U 32 H1' U 32 2.810 19.591 -5.196 343 H3 U 32 H3 U 32 -1.279 19.466 -3.221 344 H5 U 32 H5 U 32 1.174 21.392 -0.387 345 H6 U 32 H6 U 32 2.970 21.361 -2.014 346 H7 0EC 101 H7 LIG 33 -6.871 -4.502 6.986 347 H10 0EC 101 H10 LIG 33 -5.679 -6.273 2.671 348 HN14 0EC 101 H14 LIG 33 -3.157 1.492 6.754 349 H12 0EC 101 H121 LIG 33 -4.543 -0.762 6.916 350 H12A 0EC 101 H122 LIG 33 -6.129 -0.724 6.125 351 H13 0EC 101 H131 LIG 33 -5.594 1.469 5.142 352 H13A 0EC 101 H132 LIG 33 -5.511 1.526 6.924 353 HN5 0EC 101 H52 LIG 33 -3.635 -4.840 1.810 354 H15 0EC 101 H152 LIG 33 -2.203 1.396 4.598 355 HN5A 0EC 101 H51 LIG 33 -5.143 -4.283 1.130 356 H15A 0EC 101 H151 LIG 33 -3.854 1.397 3.919 357 H16 0EC 101 H162 LIG 33 -2.652 -0.828 5.600 358 H16A 0EC 101 H161 LIG 33 -2.871 -0.860 3.841 359 H8A 0EC 101 H81 LIG 33 -9.270 -4.820 4.368 360 H8AA 0EC 101 H83 LIG 33 -10.594 -5.364 5.418 361 H8AB 0EC 101 H82 LIG 33 -9.362 -4.246 6.044 362 H9A 0EC 101 H91 LIG 33 -8.612 -9.183 3.821 363 H9AA 0EC 101 H93 LIG 33 -8.997 -7.806 4.872 364 H9AB 0EC 101 H92 LIG 33 -8.779 -7.561 3.120 Start of MODEL 16 1 H5' G 1 H5' G 1 -11.016 17.620 1.181 2 H5'' G 1 H5'' G 1 -10.347 19.266 1.085 3 H4' G 1 H4' G 1 -8.583 17.581 0.705 4 H3' G 1 H3' G 1 -9.565 19.146 -1.718 5 H2' G 1 H2' G 1 -7.939 18.090 -3.043 6 HO2' G 1 HO2' G 1 -6.508 16.573 -1.475 7 H1' G 1 H1' G 1 -8.122 15.588 -1.862 8 H8 G 1 H8 G 1 -11.456 17.313 -2.690 9 H1 G 1 H1 G 1 -8.690 14.397 -7.683 10 H21 G 1 HN' G 1 -6.711 13.629 -7.123 11 H22 G 1 HN'' G 1 -6.038 13.839 -5.518 12 HO5' G 1 H5T G 1 -11.597 19.660 -0.539 13 H5' A 2 H5' A 2 -7.760 21.778 -4.048 14 H5'' A 2 H5'' A 2 -7.846 20.011 -4.197 15 H4' A 2 H4' A 2 -6.386 20.886 -5.968 16 H3' A 2 H3' A 2 -5.073 19.421 -3.659 17 H2' A 2 H2' A 2 -2.963 19.684 -4.637 18 HO2' A 2 HO2' A 2 -2.832 20.589 -6.846 19 H1' A 2 H1' A 2 -3.303 22.265 -5.510 20 H8 A 2 H8 A 2 -4.746 21.621 -2.013 21 H61 A 2 HN' A 2 1.026 22.331 0.104 22 H62 A 2 HN'' A 2 -0.654 22.120 0.544 23 H2 A 2 H2 A 2 1.172 22.369 -4.377 24 H5' G 3 H5' G 3 -3.417 18.021 -7.092 25 H5'' G 3 H5'' G 3 -3.267 16.255 -7.159 26 H4' G 3 H4' G 3 -1.096 17.292 -7.691 27 H3' G 3 H3' G 3 -1.295 15.921 -4.963 28 H2' G 3 H2' G 3 1.003 16.299 -4.665 29 HO2' G 3 HO2' G 3 1.046 16.067 -7.355 30 H1' G 3 H1' G 3 1.031 18.818 -5.853 31 H8 G 3 H8 G 3 -1.820 18.301 -3.362 32 H1 G 3 H1 G 3 3.831 19.549 -0.605 33 H21 G 3 HN' G 3 5.432 19.556 -2.108 34 H22 G 3 HN'' G 3 5.136 19.243 -3.804 35 H5' U 4 H5' U 4 1.986 14.454 -6.820 36 H5'' U 4 H5'' U 4 2.248 12.715 -6.590 37 H4' U 4 H4' U 4 4.278 13.939 -5.940 38 H3' U 4 H3' U 4 2.656 12.746 -3.647 39 H2' U 4 H2' U 4 4.415 13.341 -2.203 40 HO2' U 4 HO2' U 4 5.895 13.393 -4.597 41 H1' U 4 H1' U 4 4.911 15.802 -3.388 42 H3 U 4 H3 U 4 3.442 16.491 0.870 43 H5 U 4 H5 U 4 0.000 15.285 -1.240 44 H6 U 4 H6 U 4 1.405 14.881 -3.174 45 H5' A 5 H5' A 5 6.635 11.313 -3.551 46 H5'' A 5 H5'' A 5 6.726 9.609 -3.071 47 H4' A 5 H4' A 5 8.297 10.915 -1.710 48 H3' A 5 H3' A 5 5.780 10.007 -0.282 49 H2' A 5 H2' A 5 6.767 10.730 1.726 50 HO2' A 5 HO2' A 5 9.166 10.729 0.186 51 H1' A 5 H1' A 5 7.829 13.059 0.633 52 H8 A 5 H8 A 5 4.230 12.250 -0.441 53 H61 A 5 HN' A 5 2.389 14.840 4.845 54 H62 A 5 HN'' A 5 1.889 14.139 3.322 55 H2 A 5 H2 A 5 6.878 14.637 4.898 56 H5' G 6 H5' G 6 9.175 8.704 1.688 57 H5'' G 6 H5'' G 6 9.036 7.068 2.354 58 H4' G 6 H4' G 6 9.804 8.632 4.104 59 H3' G 6 H3' G 6 6.948 7.624 4.396 60 H2' G 6 H2' G 6 6.798 8.722 6.444 61 HO2' G 6 HO2' G 6 8.631 9.351 7.622 62 H1' G 6 H1' G 6 8.458 10.892 5.716 63 H8 G 6 H8 G 6 5.520 10.115 3.384 64 H1 G 6 H1 G 6 3.861 13.388 8.641 65 H21 G 6 HN' G 6 5.568 13.554 10.013 66 H22 G 6 HN'' G 6 7.133 12.855 9.661 67 H5' A 7 H5' A 7 8.892 7.191 7.860 68 H5'' A 7 H5'' A 7 8.619 5.663 8.720 69 H4' A 7 H4' A 7 8.185 7.598 10.212 70 H3' A 7 H3' A 7 5.747 5.946 9.351 71 H2' A 7 H2' A 7 4.424 7.280 10.767 72 HO2' A 7 HO2' A 7 6.891 8.110 11.941 73 H1' A 7 H1' A 7 5.776 9.670 10.279 74 H8 A 7 H8 A 7 4.876 7.744 7.096 75 H61 A 7 HN' A 7 -0.573 10.649 7.361 76 H62 A 7 HN'' A 7 0.475 9.625 6.404 77 H2 A 7 H2 A 7 1.631 11.483 11.179 78 H5' A 8 H5' A 8 5.495 6.298 13.412 79 H5'' A 8 H5'' A 8 5.015 4.818 14.256 80 H4' A 8 H4' A 8 3.514 6.599 14.946 81 H3' A 8 H3' A 8 2.288 4.550 13.048 82 H2' A 8 H2' A 8 0.251 5.686 13.312 83 HO2' A 8 HO2' A 8 0.470 7.508 15.109 84 H1' A 8 H1' A 8 1.328 8.268 13.542 85 H8 A 8 H8 A 8 2.554 6.302 10.496 86 H61 A 8 HN' A 8 -2.563 8.280 7.640 87 H62 A 8 HN'' A 8 -1.043 7.435 7.455 88 H2 A 8 H2 A 8 -2.833 9.466 11.957 89 H5' A 9 H5' A 9 -0.119 4.912 16.467 90 H5'' A 9 H5'' A 9 -0.761 3.359 17.038 91 H4' A 9 H4' A 9 -2.609 4.966 16.796 92 H3' A 9 H3' A 9 -2.559 2.768 14.659 93 H2' A 9 H2' A 9 -4.517 3.648 13.755 94 HO2' A 9 HO2' A 9 -4.990 4.298 16.373 95 H1' A 9 H1' A 9 -3.990 6.340 14.406 96 H8 A 9 H8 A 9 -1.284 4.465 12.448 97 H61 A 9 HN' A 9 -4.463 5.941 7.359 98 H62 A 9 HN'' A 9 -2.991 5.238 7.989 99 H2 A 9 H2 A 9 -6.900 7.168 10.922 100 H5' C 10 H5' C 10 -6.357 2.989 16.224 101 H5'' C 10 H5'' C 10 -7.105 1.406 16.514 102 H4' C 10 H4' C 10 -8.617 2.854 15.184 103 H3' C 10 H3' C 10 -7.367 0.511 13.667 104 H2' C 10 H2' C 10 -8.643 1.089 11.804 105 HO2' C 10 HO2' C 10 -10.453 1.719 13.664 106 H1' C 10 H1' C 10 -8.631 3.873 12.300 107 H41 C 10 HN' C 10 -5.096 2.543 7.138 108 H42 C 10 HN'' C 10 -3.817 1.931 8.163 109 H5 C 10 H5 C 10 -4.008 1.756 10.549 110 H6 C 10 H6 C 10 -5.466 2.114 12.481 111 H5' A 11 H5' A 11 -11.841 0.424 13.875 112 H5'' A 11 H5'' A 11 -12.363 -1.239 14.227 113 H4' A 11 H4' A 11 -13.819 -0.233 12.499 114 H3' A 11 H3' A 11 -11.886 -2.387 11.540 115 H2' A 11 H2' A 11 -12.817 -2.239 9.394 116 HO2' A 11 HO2' A 11 -15.060 -1.932 10.684 117 H1' A 11 H1' A 11 -13.312 0.523 9.485 118 H8 A 11 H8 A 11 -9.735 -0.328 10.446 119 H61 A 11 HN' A 11 -8.563 -0.780 4.386 120 H62 A 11 HN'' A 11 -7.866 -0.745 5.990 121 H2 A 11 H2 A 11 -12.995 -0.371 4.920 122 H5' A 12 H5' A 12 -14.046 -6.423 9.670 123 H5'' A 12 H5'' A 12 -12.667 -5.386 9.247 124 H4' A 12 H4' A 12 -15.402 -5.322 7.878 125 H3' A 12 H3' A 12 -12.741 -6.611 7.228 126 H2' A 12 H2' A 12 -12.917 -6.011 4.989 127 HO2' A 12 HO2' A 12 -15.687 -5.896 5.568 128 H1' A 12 H1' A 12 -14.238 -3.579 5.342 129 H8 A 12 H8 A 12 -11.182 -3.806 7.578 130 H61 A 12 HN' A 12 -7.802 -2.448 2.575 131 H62 A 12 HN'' A 12 -7.785 -2.658 4.311 132 H2 A 12 H2 A 12 -12.017 -3.205 1.245 133 H5' G 13 H5' G 13 -15.343 -7.772 4.335 134 H5'' G 13 H5'' G 13 -15.296 -9.499 3.937 135 H4' G 13 H4' G 13 -15.017 -8.165 1.882 136 H3' G 13 H3' G 13 -12.553 -9.633 2.910 137 H2' G 13 H2' G 13 -11.388 -8.948 0.980 138 HO2' G 13 HO2' G 13 -13.640 -7.734 -0.198 139 H1' G 13 H1' G 13 -12.401 -6.381 0.916 140 H8 G 13 H8 G 13 -11.505 -7.553 4.436 141 H1 G 13 H1 G 13 -6.411 -5.771 0.981 142 H21 G 13 HN' G 13 -6.983 -5.391 -1.098 143 H22 G 13 HN'' G 13 -8.625 -5.571 -1.675 144 H5' G 14 H5' G 14 -12.897 -10.491 -1.072 145 H5'' G 14 H5'' G 14 -12.666 -12.206 -1.451 146 H4' G 14 H4' G 14 -11.225 -10.849 -2.909 147 H3' G 14 H3' G 14 -9.823 -12.388 -0.679 148 H2' G 14 H2' G 14 -7.759 -11.721 -1.566 149 HO2' G 14 HO2' G 14 -9.109 -11.810 -3.896 150 H1' G 14 H1' G 14 -8.571 -9.152 -2.286 151 H8 G 14 H8 G 14 -9.617 -10.208 1.231 152 H1 G 14 H1 G 14 -3.474 -8.429 0.828 153 H21 G 14 HN' G 14 -2.903 -8.091 -1.258 154 H22 G 14 HN'' G 14 -4.018 -8.307 -2.590 155 H5' C 15 H5' C 15 -7.889 -13.393 -4.200 156 H5'' C 15 H5'' C 15 -7.571 -15.131 -4.332 157 H4' C 15 H4' C 15 -5.492 -13.915 -4.769 158 H3' C 15 H3' C 15 -5.661 -15.309 -2.057 159 H2' C 15 H2' C 15 -3.408 -14.747 -1.696 160 HO2' C 15 HO2' C 15 -3.214 -13.884 -4.408 161 H1' C 15 H1' C 15 -3.559 -12.224 -2.870 162 H41 C 15 HN' C 15 -3.454 -11.820 3.506 163 H42 C 15 HN'' C 15 -5.147 -12.257 3.574 164 H5 C 15 H5 C 15 -6.442 -12.825 1.635 165 H6 C 15 H6 C 15 -6.400 -13.127 -0.794 166 H5' U 16 H5' U 16 -2.148 -16.636 -3.688 167 H5'' U 16 H5'' U 16 -1.888 -18.374 -3.460 168 H4' U 16 H4' U 16 0.070 -17.147 -2.620 169 H3' U 16 H3' U 16 -1.750 -18.340 -0.488 170 H2' U 16 H2' U 16 -0.250 -17.636 1.160 171 HO2' U 16 HO2' U 16 1.875 -16.681 0.135 172 H1' U 16 H1' U 16 0.534 -15.268 -0.130 173 H3 U 16 H3 U 16 -1.135 -14.252 3.994 174 H5 U 16 H5 U 16 -4.511 -15.387 1.742 175 H6 U 16 H6 U 16 -3.020 -15.978 -0.076 176 H5' U 17 H5' U 17 1.607 -22.550 0.101 177 H5'' U 17 H5'' U 17 0.822 -22.469 1.693 178 H4' U 17 H4' U 17 3.251 -22.654 2.029 179 H3' U 17 H3' U 17 1.638 -20.780 3.206 180 H2' U 17 H2' U 17 2.070 -18.948 1.818 181 HO2' U 17 HO2' U 17 3.049 -17.753 3.240 182 H1' U 17 H1' U 17 4.959 -19.598 1.403 183 H3 U 17 H3 U 17 4.495 -15.885 -1.197 184 H5 U 17 H5 U 17 2.156 -18.839 -3.081 185 H6 U 17 H6 U 17 2.488 -20.254 -1.138 186 H5' C 18 H5' C 18 4.690 -18.744 4.503 187 H5'' C 18 H5'' C 18 4.964 -18.788 6.256 188 H4' C 18 H4' C 18 4.672 -16.445 5.361 189 H3' C 18 H3' C 18 3.783 -17.525 7.669 190 H2' C 18 H2' C 18 1.535 -17.891 7.074 191 HO2' C 18 HO2' C 18 1.224 -16.419 8.668 192 H1' C 18 H1' C 18 1.459 -15.383 5.414 193 H41 C 18 HN' C 18 -3.943 -18.122 3.564 194 H42 C 18 HN'' C 18 -3.034 -19.402 2.790 195 H5 C 18 H5 C 18 -0.654 -19.644 3.001 196 H6 C 18 H6 C 18 1.386 -18.698 3.974 197 H5' G 19 H5' G 19 6.481 -15.350 7.940 198 H5'' G 19 H5'' G 19 6.965 -14.519 9.428 199 H4' G 19 H4' G 19 8.284 -13.175 8.178 200 H3' G 19 H3' G 19 5.537 -12.353 7.229 201 H2' G 19 H2' G 19 6.381 -11.392 5.320 202 HO2' G 19 HO2' G 19 8.898 -11.016 6.612 203 H1' G 19 H1' G 19 8.929 -12.756 5.311 204 H8 G 19 H8 G 19 9.088 -13.557 2.883 205 H1 G 19 H1 G 19 2.729 -14.031 2.274 206 H21 G 19 HN' G 19 1.733 -13.609 4.186 207 H22 G 19 HN'' G 19 2.616 -13.193 5.639 208 H5' G 20 H5' G 20 5.990 -7.213 6.220 209 H5'' G 20 H5'' G 20 4.658 -8.350 6.515 210 H4' G 20 H4' G 20 6.721 -8.683 4.292 211 H3' G 20 H3' G 20 4.037 -7.260 4.440 212 H2' G 20 H2' G 20 3.357 -8.160 2.400 213 HO2' G 20 HO2' G 20 5.687 -9.432 1.656 214 H1' G 20 H1' G 20 4.451 -10.672 2.665 215 H8 G 20 H8 G 20 2.783 -9.486 5.884 216 H1 G 20 H1 G 20 -1.355 -11.676 1.506 217 H21 G 20 HN' G 20 -0.336 -12.025 -0.405 218 H22 G 20 HN'' G 20 1.373 -11.722 -0.633 219 H5' C 21 H5' C 21 5.328 -6.529 0.617 220 H5'' C 21 H5'' C 21 5.245 -4.806 0.205 221 H4' C 21 H4' C 21 4.080 -6.100 -1.526 222 H3' C 21 H3' C 21 2.326 -4.549 0.426 223 H2' C 21 H2' C 21 0.429 -5.162 -0.790 224 HO2' C 21 HO2' C 21 1.456 -6.461 -2.921 225 H1' C 21 H1' C 21 1.331 -7.727 -1.470 226 H41 C 21 HN' C 21 -3.214 -7.989 3.034 227 H42 C 21 HN'' C 21 -2.042 -7.537 4.251 228 H5 C 21 H5 C 21 0.238 -6.985 3.748 229 H6 C 21 H6 C 21 1.901 -6.726 1.969 230 H5' C 22 H5' C 22 1.038 -3.448 -3.342 231 H5'' C 22 H5'' C 22 0.809 -1.697 -3.488 232 H4' C 22 H4' C 22 -1.215 -2.820 -4.274 233 H3' C 22 H3' C 22 -1.410 -1.362 -1.604 234 H2' C 22 H2' C 22 -3.618 -1.996 -1.386 235 HO2' C 22 HO2' C 22 -4.943 -2.417 -3.145 236 H1' C 22 H1' C 22 -3.478 -4.414 -2.868 237 H41 C 22 HN' C 22 -4.783 -5.765 3.225 238 H42 C 22 HN'' C 22 -3.126 -5.421 3.671 239 H5 C 22 H5 C 22 -1.485 -4.600 2.123 240 H6 C 22 H6 C 22 -1.069 -3.912 -0.190 241 H5' U 23 H5' U 23 -4.698 -0.386 -3.652 242 H5'' U 23 H5'' U 23 -4.720 1.338 -4.065 243 H4' U 23 H4' U 23 -6.958 0.587 -3.302 244 H3' U 23 H3' U 23 -5.413 2.470 -1.432 245 H2' U 23 H2' U 23 -7.321 2.563 -0.060 246 HO2' U 23 HO2' U 23 -8.792 1.217 -2.100 247 H1' U 23 H1' U 23 -8.025 -0.109 -0.353 248 H3 U 23 H3 U 23 -7.006 0.983 4.006 249 H5 U 23 H5 U 23 -3.297 0.387 2.097 250 H6 U 23 H6 U 23 -4.483 0.201 -0.009 251 H5' G 24 H5' G 24 -9.226 4.014 -2.091 252 H5'' G 24 H5'' G 24 -9.270 5.788 -2.206 253 H4' G 24 H4' G 24 -10.843 4.994 -0.469 254 H3' G 24 H3' G 24 -8.371 6.439 0.620 255 H2' G 24 H2' G 24 -9.347 6.272 2.762 256 HO2' G 24 HO2' G 24 -11.615 5.269 2.751 257 H1' G 24 H1' G 24 -10.336 3.707 2.423 258 H8 G 24 H8 G 24 -6.751 4.207 1.166 259 H1 G 24 H1 G 24 -7.241 3.475 7.516 260 H21 G 24 HN' G 24 -9.364 3.448 8.114 261 H22 G 24 HN'' G 24 -10.667 3.621 6.959 262 H5' C 25 H5' C 25 -11.740 8.037 2.343 263 H5'' C 25 H5'' C 25 -11.719 9.809 2.478 264 H4' C 25 H4' C 25 -12.225 8.790 4.672 265 H3' C 25 H3' C 25 -9.468 10.104 4.428 266 H2' C 25 H2' C 25 -9.175 9.706 6.729 267 HO2' C 25 HO2' C 25 -11.527 8.548 7.407 268 H1' C 25 H1' C 25 -10.281 7.170 6.726 269 H41 C 25 HN' C 25 -3.906 6.743 6.516 270 H42 C 25 HN'' C 25 -3.925 7.085 4.800 271 H5 C 25 H5 C 25 -5.928 7.605 3.580 272 H6 C 25 H6 C 25 -8.351 7.936 3.735 273 H5' U 26 H5' U 26 -11.228 11.613 7.722 274 H5'' U 26 H5'' U 26 -10.978 13.354 7.937 275 H4' U 26 H4' U 26 -10.311 12.180 9.987 276 H3' U 26 H3' U 26 -8.038 13.322 8.310 277 H2' U 26 H2' U 26 -6.559 12.738 10.028 278 HO2' U 26 HO2' U 26 -8.902 12.412 11.633 279 H1' U 26 H1' U 26 -7.759 10.306 10.628 280 H3 U 26 H3 U 26 -3.551 9.503 9.092 281 H5 U 26 H5 U 26 -5.690 10.694 5.663 282 H6 U 26 H6 U 26 -7.596 11.157 7.091 283 H5' U 27 H5' U 27 -7.624 14.563 12.113 284 H5'' U 27 H5'' U 27 -7.116 16.250 12.302 285 H4' U 27 H4' U 27 -5.625 14.800 13.603 286 H3' U 27 H3' U 27 -4.397 16.040 11.088 287 H2' U 27 H2' U 27 -2.333 15.159 11.779 288 HO2' U 27 HO2' U 27 -3.590 15.149 14.296 289 H1' U 27 H1' U 27 -3.347 12.750 12.736 290 H3 U 27 H3 U 27 -0.540 11.829 9.280 291 H5 U 27 H5 U 27 -3.969 13.439 7.435 292 H6 U 27 H6 U 27 -4.854 13.919 9.642 293 H5' U 28 H5' U 28 -1.982 16.951 14.262 294 H5'' U 28 H5'' U 28 -1.255 18.566 14.180 295 H4' U 28 H4' U 28 0.519 16.887 14.445 296 H3' U 28 H3' U 28 0.334 18.175 11.688 297 H2' U 28 H2' U 28 2.337 17.079 11.137 298 HO2' U 28 HO2' U 28 3.739 16.303 12.625 299 H1' U 28 H1' U 28 1.685 14.686 12.370 300 H3 U 28 H3 U 28 1.972 14.021 7.868 301 H5 U 28 H5 U 28 -1.599 16.201 8.371 302 H6 U 28 H6 U 28 -1.070 16.400 10.729 303 H5' U 29 H5' U 29 4.167 18.611 13.292 304 H5'' U 29 H5'' U 29 4.896 20.184 12.924 305 H4' U 29 H4' U 29 6.484 18.419 12.335 306 H3' U 29 H3' U 29 5.157 19.813 9.969 307 H2' U 29 H2' U 29 6.624 18.640 8.569 308 HO2' U 29 HO2' U 29 8.060 17.998 10.959 309 H1' U 29 H1' U 29 6.465 16.236 9.943 310 H3 U 29 H3 U 29 4.639 15.687 5.800 311 H5 U 29 H5 U 29 1.802 18.002 7.885 312 H6 U 29 H6 U 29 3.356 18.118 9.743 313 H5' G 30 H5' G 30 9.179 20.005 9.528 314 H5'' G 30 H5'' G 30 9.764 21.571 8.942 315 H4' G 30 H4' G 30 10.663 19.802 7.513 316 H3' G 30 H3' G 30 8.457 21.514 6.265 317 H2' G 30 H2' G 30 8.818 20.380 4.249 318 HO2' G 30 HO2' G 30 11.003 18.870 4.883 319 H1' G 30 H1' G 30 9.424 17.890 5.406 320 H8 G 30 H8 G 30 6.194 19.460 6.690 321 H1 G 30 H1 G 30 5.592 16.570 1.002 322 H21 G 30 HN' G 30 7.560 15.979 0.230 323 H22 G 30 HN'' G 30 9.047 16.294 1.096 324 H5' C 31 H5' C 31 11.553 21.570 3.629 325 H5'' C 31 H5'' C 31 11.844 23.166 2.913 326 H4' C 31 H4' C 31 11.584 21.516 1.117 327 H3' C 31 H3' C 31 9.253 23.443 1.500 328 H2' C 31 H2' C 31 8.237 22.542 -0.402 329 HO2' C 31 HO2' C 31 9.370 21.372 -1.945 330 H1' C 31 H1' C 31 9.093 19.907 0.022 331 H41 C 31 HN' C 31 2.861 20.444 1.352 332 H42 C 31 HN'' C 31 3.249 21.178 2.892 333 H5 C 31 H5 C 31 5.486 21.697 3.580 334 H6 C 31 H6 C 31 7.849 21.641 2.949 335 H5' U 32 H5' U 32 10.251 23.510 -2.462 336 H5'' U 32 H5'' U 32 10.374 25.155 -3.109 337 H4' U 32 H4' U 32 8.968 23.810 -4.596 338 H3' U 32 H3' U 32 7.587 25.896 -2.875 339 HO3' U 32 H3T U 32 7.441 26.305 -5.511 340 H2' U 32 H2' U 32 5.526 25.350 -3.753 341 HO2' U 32 HO2' U 32 6.411 23.777 -5.870 342 H1' U 32 H1' U 32 6.082 22.624 -4.300 343 H3 U 32 H3 U 32 2.275 22.650 -1.824 344 H5 U 32 H5 U 32 5.250 23.970 0.852 345 H6 U 32 H6 U 32 6.822 23.966 -0.993 346 H7 0EC 101 H7 LIG 33 -3.613 -1.969 8.279 347 H10 0EC 101 H10 LIG 33 -2.931 -2.958 3.601 348 HN14 0EC 101 H14 LIG 33 -0.912 4.655 7.054 349 H12 0EC 101 H121 LIG 33 -0.432 2.513 8.515 350 H12A 0EC 101 H122 LIG 33 -1.715 1.291 8.509 351 H13 0EC 101 H131 LIG 33 -2.843 2.496 6.669 352 H13A 0EC 101 H132 LIG 33 -2.682 3.516 8.125 353 HN5 0EC 101 H52 LIG 33 -1.525 -0.296 2.517 354 H15 0EC 101 H152 LIG 33 -0.302 3.968 4.885 355 HN5A 0EC 101 H51 LIG 33 -1.468 -2.021 2.778 356 H15A 0EC 101 H151 LIG 33 -1.600 2.745 4.956 357 H16 0EC 101 H162 LIG 33 0.895 2.757 6.686 358 H16A 0EC 101 H161 LIG 33 0.606 1.704 5.290 359 H8A 0EC 101 H81 LIG 33 -6.477 -1.848 5.708 360 H8AA 0EC 101 H83 LIG 33 -7.517 -2.189 7.105 361 H8AB 0EC 101 H82 LIG 33 -6.085 -1.152 7.292 362 H9A 0EC 101 H91 LIG 33 -6.840 -4.117 4.595 363 H9AA 0EC 101 H93 LIG 33 -5.848 -2.851 3.845 364 H9AB 0EC 101 H92 LIG 33 -6.017 -4.439 3.055
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