NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4452 | 1f7f | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 H5' G 1 -23.470 -5.858 1.254 2 2H5* G 1 H5'' G 1 -23.398 -6.886 -0.191 3 H4* G 1 H4' G 1 -22.017 -5.011 -0.660 4 H3* G 1 H3' G 1 -20.363 -7.448 0.136 5 H2* G 1 H2' G 1 -18.394 -6.141 0.074 6 2HO* G 1 2HO' G 1 -19.132 -3.835 -1.027 7 H1* G 1 H1' G 1 -19.489 -3.662 0.845 8 H8 G 1 H8 G 1 -18.891 -7.284 2.089 9 H1 G 1 H1 G 1 -17.237 -2.626 6.188 10 1H2 G 1 H21 G 1 -17.866 -0.653 5.385 11 2H2 G 1 H22 G 1 -18.707 -0.497 3.858 12 H5T G 1 H5T G 1 -22.178 -8.321 0.860 13 1H5* G 2 H5' G 2 -19.860 -5.457 -4.544 14 2H5* G 2 H5'' G 2 -18.392 -6.211 -5.198 15 H4* G 2 H4' G 2 -18.642 -3.574 -5.140 16 H3* G 2 H3' G 2 -16.136 -5.192 -4.501 17 H2* G 2 H2' G 2 -15.007 -3.158 -3.873 18 2HO* G 2 2HO' G 2 -15.478 -1.364 -4.897 19 H1* G 2 H1' G 2 -17.077 -1.984 -2.492 20 H8 G 2 H8 G 2 -17.215 -5.702 -1.825 21 H1 G 2 H1 G 2 -12.779 -2.632 1.654 22 1H2 G 2 H21 G 2 -12.558 -0.546 0.933 23 2H2 G 2 H22 G 2 -13.444 0.057 -0.450 24 1H5* A 3 H5' A 3 -15.057 -2.170 -6.560 25 2H5* A 3 H5'' A 3 -14.272 -2.291 -8.148 26 H4* A 3 H4' A 3 -12.893 -0.841 -6.888 27 H3* A 3 H3' A 3 -11.744 -3.671 -6.908 28 H2* A 3 H2' A 3 -9.961 -2.909 -5.481 29 2HO* A 3 2HO' A 3 -10.628 -0.509 -6.675 30 H1* A 3 H1' A 3 -11.475 -1.299 -3.823 31 H8 A 3 H8 A 3 -13.345 -4.505 -4.768 32 1H6 A 3 H61 A 3 -10.496 -7.069 0.103 33 2H6 A 3 H62 A 3 -11.703 -7.305 -1.142 34 H2 A 3 H2 A 3 -8.723 -3.024 -0.557 35 1H5* A 4 H5' A 4 -8.577 -0.790 -7.495 36 2H5* A 4 H5'' A 4 -7.377 -1.427 -8.638 37 H4* A 4 H4' A 4 -6.518 -0.802 -6.317 38 H3* A 4 H3' A 4 -6.077 -3.596 -7.480 39 H2* A 4 H2' A 4 -4.926 -4.185 -5.459 40 2HO* A 4 2HO' A 4 -3.982 -2.664 -4.170 41 H1* A 4 H1' A 4 -6.535 -2.720 -3.684 42 H8 A 4 H8 A 4 -8.609 -4.657 -6.229 43 1H6 A 4 H61 A 4 -8.129 -9.472 -2.358 44 2H6 A 4 H62 A 4 -9.002 -8.816 -3.725 45 H2 A 4 H2 A 4 -5.438 -6.232 -0.869 46 1H5* G 5 H5' G 5 -0.338 -2.512 -6.699 47 2H5* G 5 H5'' G 5 -1.249 -4.034 -6.621 48 H4* G 5 H4' G 5 -0.942 -2.097 -4.304 49 H3* G 5 H3' G 5 1.187 -3.655 -5.069 50 H2* G 5 H2' G 5 -0.012 -5.778 -5.109 51 2HO* G 5 2HO' G 5 0.290 -6.441 -2.647 52 H1* G 5 H1' G 5 -1.406 -5.087 -2.504 53 H8 G 5 H8 G 5 -3.068 -5.531 -5.941 54 H1 G 5 H1 G 5 -3.542 -10.617 -2.051 55 1H2 G 5 H21 G 5 -2.227 -10.342 -0.280 56 2H2 G 5 H22 G 5 -1.375 -8.842 0.013 57 1H5* U 6 H5' U 6 3.710 -1.106 -1.582 58 2H5* U 6 H5'' U 6 4.861 -1.831 -2.723 59 H4* U 6 H4' U 6 4.842 -3.385 -0.983 60 H3* U 6 H3' U 6 2.993 -4.250 -3.194 61 H2* U 6 H2' U 6 1.542 -5.377 -1.729 62 2HO* U 6 2HO' U 6 2.379 -7.156 -0.794 63 H1* U 6 H1' U 6 3.226 -4.829 0.704 64 H3 U 6 H3 U 6 -0.758 -6.080 2.603 65 H5 U 6 H5 U 6 -1.616 -2.495 0.551 66 H6 U 6 H6 U 6 0.614 -2.600 -0.410 67 1H5* C 7 H5' C 7 6.354 -6.100 -1.488 68 2H5* C 7 H5'' C 7 8.087 -6.102 -1.876 69 H4* C 7 H4' C 7 7.911 -8.362 -1.599 70 H3* C 7 H3' C 7 6.648 -7.992 -4.358 71 H2* C 7 H2' C 7 5.966 -10.281 -4.310 72 2HO* C 7 2HO' C 7 7.012 -11.479 -2.312 73 H1* C 7 H1' C 7 5.483 -10.479 -1.535 74 1H4 C 7 H41 C 7 -0.168 -10.217 -4.489 75 2H4 C 7 H42 C 7 -0.191 -8.479 -4.289 76 H5 C 7 H5 C 7 1.777 -7.218 -3.498 77 H6 C 7 H6 C 7 4.057 -7.421 -2.667 78 1H5* C 8 H5' C 8 9.514 -12.024 -3.914 79 2H5* C 8 H5'' C 8 10.498 -11.557 -5.317 80 H4* C 8 H4' C 8 9.864 -13.995 -5.238 81 H3* C 8 H3' C 8 9.067 -12.259 -7.617 82 H2* C 8 H2' C 8 7.940 -14.149 -8.590 83 2HO* C 8 2HO' C 8 8.632 -16.005 -6.660 84 H1* C 8 H1' C 8 6.794 -15.138 -6.275 85 1H4 C 8 H41 C 8 2.445 -11.313 -8.969 86 2H4 C 8 H42 C 8 3.060 -9.951 -8.060 87 H5 C 8 H5 C 8 5.155 -10.069 -6.771 88 H6 C 8 H6 C 8 6.937 -11.553 -6.011 89 1H5* G 9 H5' G 9 9.740 -15.657 -9.400 90 2H5* G 9 H5'' G 9 11.231 -15.575 -10.363 91 H4* G 9 H4' G 9 9.750 -16.449 -11.922 92 H3* G 9 H3' G 9 9.521 -13.406 -12.183 93 H2* G 9 H2' G 9 7.841 -13.775 -13.872 94 2HO* G 9 2HO' G 9 8.345 -16.568 -13.797 95 H1* G 9 H1' G 9 6.546 -15.883 -12.602 96 H8 G 9 H8 G 9 7.808 -12.839 -10.539 97 H1 G 9 H1 G 9 1.701 -12.531 -12.495 98 1H2 G 9 H21 G 9 1.229 -14.278 -13.783 99 2H2 G 9 H22 G 9 2.439 -15.465 -14.216 100 1H5* G 10 H5' G 10 9.998 -15.594 -16.307 101 2H5* G 10 H5'' G 10 10.236 -14.286 -17.483 102 H4* G 10 H4' G 10 8.051 -15.823 -17.526 103 H3* G 10 H3' G 10 8.151 -12.803 -18.037 104 H2* G 10 H2' G 10 5.759 -12.924 -18.406 105 2HO* G 10 2HO' G 10 5.673 -15.705 -18.047 106 H1* G 10 H1' G 10 5.203 -14.561 -16.262 107 H8 G 10 H8 G 10 8.009 -12.074 -15.482 108 H1 G 10 H1 G 10 2.089 -9.711 -14.727 109 1H2 G 10 H21 G 10 0.598 -11.109 -15.602 110 2H2 G 10 H22 G 10 1.051 -12.702 -16.168 111 1H5* U 11 H5' U 11 5.954 -14.194 -21.434 112 2H5* U 11 H5'' U 11 6.900 -13.757 -22.871 113 H4* U 11 H4' U 11 4.735 -12.957 -23.331 114 H3* U 11 H3' U 11 6.411 -10.644 -22.215 115 H2* U 11 H2' U 11 4.472 -9.261 -22.549 116 2HO* U 11 2HO' U 11 3.500 -11.492 -24.024 117 H1* U 11 H1' U 11 2.629 -11.040 -21.542 118 H3 U 11 H3 U 11 2.918 -8.055 -18.119 119 H5 U 11 H5 U 11 6.557 -10.180 -17.920 120 H6 U 11 H6 U 11 5.949 -11.274 -20.003 121 1H5* C 12 H5' C 12 3.460 -8.873 -24.741 122 2H5* C 12 H5'' C 12 4.443 -8.466 -26.160 123 H4* C 12 H4' C 12 3.129 -6.543 -25.729 124 H3* C 12 H3' C 12 5.895 -6.123 -24.472 125 H2* C 12 H2' C 12 5.104 -3.867 -23.990 126 2HO* C 12 2HO' C 12 2.646 -3.832 -24.957 127 H1* C 12 H1' C 12 2.562 -4.669 -23.192 128 1H4 C 12 H41 C 12 6.226 -3.911 -17.997 129 2H4 C 12 H42 C 12 6.420 -5.648 -17.914 130 H5 C 12 H5 C 12 5.423 -7.154 -19.589 131 H6 C 12 H6 C 12 4.244 -7.249 -21.716 132 1H5* U 13 H5' U 13 5.744 -2.486 -25.768 133 2H5* U 13 H5'' U 13 7.365 -2.124 -26.391 134 H4* U 13 H4' U 13 6.714 -0.891 -24.279 135 H3* U 13 H3' U 13 9.192 -2.702 -24.218 136 H2* U 13 H2' U 13 9.558 -1.842 -21.996 137 2HO* U 13 2HO' U 13 7.491 -0.060 -21.863 138 H1* U 13 H1' U 13 6.839 -1.819 -21.256 139 H3 U 13 H3 U 13 9.716 -4.829 -18.977 140 H5 U 13 H5 U 13 7.442 -6.978 -21.808 141 H6 U 13 H6 U 13 6.714 -4.852 -22.728 142 1H5* U 14 H5' U 14 10.858 1.366 -22.008 143 2H5* U 14 H5'' U 14 9.628 1.275 -23.275 144 H4* U 14 H4' U 14 12.236 2.772 -23.370 145 H3* U 14 H3' U 14 9.897 3.851 -22.398 146 H2* U 14 H2' U 14 8.557 3.549 -24.387 147 2HO* U 14 2HO' U 14 8.310 5.574 -25.032 148 H1* U 14 H1' U 14 10.910 4.329 -26.142 149 H3 U 14 H3 U 14 8.665 3.093 -29.866 150 H5 U 14 H5 U 14 7.244 0.350 -26.994 151 H6 U 14 H6 U 14 8.652 1.448 -25.349 152 1H5* C 15 H5' C 15 10.259 7.287 -19.990 153 2H5* C 15 H5'' C 15 11.632 6.371 -19.336 154 H4* C 15 H4' C 15 9.539 6.306 -17.924 155 H3* C 15 H3' C 15 11.277 4.199 -18.152 156 H2* C 15 H2' C 15 10.170 3.334 -20.188 157 2HO* C 15 2HO' C 15 10.427 1.658 -18.647 158 H1* C 15 H1' C 15 7.579 3.645 -18.587 159 1H4 C 15 H41 C 15 4.529 3.471 -24.236 160 2H4 C 15 H42 C 15 5.451 2.022 -24.569 161 H5 C 15 H5 C 15 7.376 1.348 -23.201 162 H6 C 15 H6 C 15 8.719 1.898 -21.252 163 1H5* G 16 H5' G 16 7.749 2.335 -13.544 164 2H5* G 16 H5'' G 16 7.941 1.826 -15.234 165 H4* G 16 H4' G 16 7.032 4.623 -14.531 166 H3* G 16 H3' G 16 5.286 2.118 -14.803 167 H2* G 16 H2' G 16 3.634 3.582 -15.819 168 2HO* G 16 2HO' G 16 3.698 5.442 -14.682 169 H1* G 16 H1' G 16 5.424 4.848 -17.479 170 H8 G 16 H8 G 16 3.101 3.230 -18.332 171 H1 G 16 H1 G 16 7.469 -1.400 -19.061 172 1H2 G 16 H21 G 16 9.263 -0.966 -17.849 173 2H2 G 16 H22 G 16 9.477 0.573 -17.039 174 1H5* G 17 H5' G 17 3.040 4.409 -13.242 175 2H5* G 17 H5'' G 17 1.687 4.180 -12.118 176 H4* G 17 H4' G 17 0.753 3.976 -14.283 177 H3* G 17 H3' G 17 1.273 1.160 -13.179 178 H2* G 17 H2' G 17 0.178 0.365 -15.199 179 2HO* G 17 2HO' G 17 -1.049 2.738 -15.000 180 H1* G 17 H1' G 17 1.514 2.071 -16.911 181 H8 G 17 H8 G 17 3.475 0.764 -13.863 182 H1 G 17 H1 G 17 3.834 -2.947 -19.066 183 1H2 G 17 H21 G 17 2.592 -2.110 -20.697 184 2H2 G 17 H22 G 17 1.495 -0.772 -20.419 185 1H5* A 18 H5' A 18 -2.290 1.257 -15.438 186 2H5* A 18 H5'' A 18 -3.523 0.356 -14.536 187 H4* A 18 H4' A 18 -3.128 -0.464 -16.878 188 H3* A 18 H3' A 18 -2.575 -2.426 -14.586 189 H2* A 18 H2' A 18 -2.179 -4.062 -16.309 190 2HO* A 18 2HO' A 18 -2.899 -2.491 -18.466 191 H1* A 18 H1' A 18 -0.948 -2.286 -18.126 192 H8 A 18 H8 A 18 0.566 -1.873 -14.677 193 1H6 A 18 H61 A 18 4.093 -6.788 -16.051 194 2H6 A 18 H62 A 18 3.900 -5.420 -14.977 195 H2 A 18 H2 A 18 0.977 -6.391 -19.227 196 1H5* C 19 H5' C 19 -4.084 -4.724 -17.833 197 2H5* C 19 H5'' C 19 -5.675 -5.215 -17.221 198 H4* C 19 H4' C 19 -4.739 -7.221 -17.998 199 H3* C 19 H3' C 19 -4.157 -7.011 -14.999 200 H2* C 19 H2' C 19 -3.021 -9.118 -15.173 201 2HO* C 19 2HO' C 19 -4.785 -9.390 -17.304 202 H1* C 19 H1' C 19 -1.937 -8.712 -17.747 203 1H4 C 19 H41 C 19 2.989 -7.562 -13.876 204 2H4 C 19 H42 C 19 2.163 -6.232 -13.095 205 H5 C 19 H5 C 19 -0.107 -5.533 -13.741 206 H6 C 19 H6 C 19 -2.025 -6.074 -15.147 207 1H5* C 20 H5' C 20 -6.339 -11.016 -16.053 208 2H5* C 20 H5'' C 20 -7.257 -11.404 -14.584 209 H4* C 20 H4' C 20 -5.777 -13.261 -15.412 210 H3* C 20 H3' C 20 -5.253 -12.113 -12.618 211 H2* C 20 H2' C 20 -3.552 -13.805 -12.391 212 2HO* C 20 2HO' C 20 -3.755 -15.691 -13.363 213 H1* C 20 H1' C 20 -2.613 -13.666 -15.022 214 1H4 C 20 H41 C 20 1.478 -10.189 -11.581 215 2H4 C 20 H42 C 20 0.347 -8.857 -11.490 216 H5 C 20 H5 C 20 -1.989 -9.068 -12.247 217 H6 C 20 H6 C 20 -3.581 -10.517 -13.393 218 1H5* G 21 H5' G 21 -6.615 -16.627 -11.521 219 2H5* G 21 H5'' G 21 -7.009 -16.293 -9.822 220 H4* G 21 H4' G 21 -5.098 -17.990 -10.396 221 H3* G 21 H3' G 21 -4.826 -15.772 -8.303 222 H2* G 21 H2' G 21 -2.618 -16.656 -7.864 223 2HO* G 21 2HO' G 21 -3.546 -18.906 -9.357 224 H1* G 21 H1' G 21 -1.960 -17.194 -10.516 225 H8 G 21 H8 G 21 -3.744 -13.840 -10.085 226 H1 G 21 H1 G 21 2.577 -13.639 -8.989 227 1H2 G 21 H21 G 21 3.403 -15.699 -8.932 228 2H2 G 21 H22 G 21 2.404 -17.108 -9.210 229 1H5* G 22 H5' G 22 -4.828 -19.598 -6.087 230 2H5* G 22 H5'' G 22 -5.678 -19.518 -4.530 231 H4* G 22 H4' G 22 -3.280 -20.089 -4.273 232 H3* G 22 H3' G 22 -4.249 -17.444 -3.097 233 H2* G 22 H2' G 22 -2.000 -17.025 -2.334 234 2HO* G 22 2HO' G 22 -0.914 -19.423 -3.201 235 H1* G 22 H1' G 22 -0.688 -17.900 -4.604 236 H8 G 22 H8 G 22 -3.734 -16.148 -5.903 237 H1 G 22 H1 G 22 0.746 -12.088 -3.734 238 1H2 G 22 H21 G 22 2.315 -13.210 -2.631 239 2H2 G 22 H22 G 22 2.196 -14.933 -2.349 240 1H5* C 23 H5' C 23 -3.066 -18.925 0.822 241 2H5* C 23 H5'' C 23 -4.419 -18.402 1.844 242 H4* C 23 H4' C 23 -2.229 -17.230 2.289 243 H3* C 23 H3' C 23 -4.698 -15.615 1.492 244 H2* C 23 H2' C 23 -3.359 -13.615 1.662 245 2HO* C 23 2HO' C 23 -1.981 -13.598 3.265 246 H1* C 23 H1' C 23 -1.071 -14.624 0.480 247 1H4 C 23 H41 C 23 -4.294 -11.732 -4.191 248 2H4 C 23 H42 C 23 -5.259 -13.165 -4.461 249 H5 C 23 H5 C 23 -4.960 -15.214 -3.127 250 H6 C 23 H6 C 23 -3.848 -16.170 -1.175 251 1H5* U 24 H5' U 24 -3.370 -13.887 5.204 252 2H5* U 24 H5'' U 24 -4.709 -13.111 6.074 253 H4* U 24 H4' U 24 -2.823 -11.626 5.034 254 H3* U 24 H3' U 24 -5.817 -11.069 4.739 255 H2* U 24 H2' U 24 -5.254 -9.149 3.418 256 2HO* U 24 2HO' U 24 -2.568 -9.466 4.340 257 H1* U 24 H1' U 24 -2.997 -10.244 2.138 258 H3 U 24 H3 U 24 -6.268 -9.119 -0.920 259 H5 U 24 H5 U 24 -7.181 -13.026 0.385 260 H6 U 24 H6 U 24 -5.478 -12.771 2.100 261 1H5* U 25 H5' U 25 -3.437 -7.623 6.617 262 2H5* U 25 H5'' U 25 -4.521 -6.525 7.497 263 H4* U 25 H4' U 25 -3.069 -5.582 5.543 264 H3* U 25 H3' U 25 -6.046 -5.016 5.931 265 H2* U 25 H2' U 25 -6.014 -3.716 3.904 266 2HO* U 25 2HO' U 25 -4.024 -3.096 2.958 267 H1* U 25 H1' U 25 -4.398 -5.403 2.415 268 H3 U 25 H3 U 25 -8.676 -5.675 0.755 269 H5 U 25 H5 U 25 -8.572 -8.354 4.012 270 H6 U 25 H6 U 25 -6.381 -7.465 4.576 271 1H5* C 26 H5' C 26 -4.794 -1.576 4.514 272 2H5* C 26 H5'' C 26 -4.841 -0.324 5.771 273 H4* C 26 H4' C 26 -5.870 0.558 3.772 274 H3* C 26 H3' C 26 -7.879 -0.140 5.969 275 H2* C 26 H2' C 26 -9.638 0.570 4.509 276 2HO* C 26 2HO' C 26 -9.260 2.360 3.456 277 H1* C 26 H1' C 26 -8.477 -0.292 2.086 278 1H4 C 26 H41 C 26 -13.012 -4.536 3.484 279 2H4 C 26 H42 C 26 -11.955 -5.353 4.614 280 H5 C 26 H5 C 26 -9.647 -4.592 5.034 281 H6 C 26 H6 C 26 -8.046 -2.796 4.628 282 1H5* C 27 H5' C 27 -10.589 2.908 7.499 283 2H5* C 27 H5'' C 27 -10.623 1.216 6.963 284 H4* C 27 H4' C 27 -11.864 3.443 5.331 285 H3* C 27 H3' C 27 -13.117 1.802 7.577 286 H2* C 27 H2' C 27 -15.152 1.763 6.305 287 2HO* C 27 2HO' C 27 -14.474 3.107 4.091 288 H1* C 27 H1' C 27 -13.943 1.199 3.888 289 1H4 C 27 H41 C 27 -15.573 -4.304 6.756 290 2H4 C 27 H42 C 27 -13.872 -4.599 7.041 291 H5 C 27 H5 C 27 -12.157 -2.870 6.674 292 H6 C 27 H6 C 27 -11.764 -0.605 5.857 293 H3T C 27 H3T C 27 -14.115 3.797 7.943 Start of MODEL 2 1 1H5* G 1 H5' G 1 -23.312 -4.699 0.183 2 2H5* G 1 H5'' G 1 -23.018 -6.037 -0.946 3 H4* G 1 H4' G 1 -21.639 -4.039 -1.457 4 H3* G 1 H3' G 1 -20.212 -6.606 -0.633 5 H2* G 1 H2' G 1 -18.131 -5.473 -0.698 6 2HO* G 1 2HO' G 1 -19.540 -3.706 -2.419 7 H1* G 1 H1' G 1 -19.011 -2.909 0.063 8 H8 G 1 H8 G 1 -18.708 -6.564 1.308 9 H1 G 1 H1 G 1 -16.817 -2.053 5.469 10 1H2 G 1 H21 G 1 -17.374 -0.039 4.702 11 2H2 G 1 H22 G 1 -18.010 0.187 3.089 12 H5T G 1 H5T G 1 -21.672 -5.821 1.533 13 1H5* G 2 H5' G 2 -19.626 -4.594 -5.208 14 2H5* G 2 H5'' G 2 -18.318 -5.491 -6.009 15 H4* G 2 H4' G 2 -18.216 -2.870 -5.900 16 H3* G 2 H3' G 2 -15.894 -4.771 -5.348 17 H2* G 2 H2' G 2 -14.516 -2.885 -4.760 18 2HO* G 2 2HO' G 2 -16.468 -1.534 -6.259 19 H1* G 2 H1' G 2 -16.389 -1.493 -3.295 20 H8 G 2 H8 G 2 -16.960 -5.161 -2.630 21 H1 G 2 H1 G 2 -12.003 -2.719 0.639 22 1H2 G 2 H21 G 2 -11.571 -0.659 -0.069 23 2H2 G 2 H22 G 2 -12.372 0.025 -1.467 24 1H5* A 3 H5' A 3 -14.017 -1.393 -7.664 25 2H5* A 3 H5'' A 3 -12.852 -2.264 -8.682 26 H4* A 3 H4' A 3 -11.934 -0.511 -7.027 27 H3* A 3 H3' A 3 -10.853 -3.367 -7.194 28 H2* A 3 H2' A 3 -9.307 -2.811 -5.435 29 2HO* A 3 2HO' A 3 -9.069 -0.570 -4.804 30 H1* A 3 H1' A 3 -11.047 -1.294 -3.893 31 H8 A 3 H8 A 3 -12.804 -4.369 -5.316 32 1H6 A 3 H61 A 3 -10.574 -7.408 -0.397 33 2H6 A 3 H62 A 3 -11.721 -7.464 -1.717 34 H2 A 3 H2 A 3 -8.712 -3.349 -0.469 35 1H5* A 4 H5' A 4 -7.446 -0.501 -7.162 36 2H5* A 4 H5'' A 4 -6.147 -1.217 -8.138 37 H4* A 4 H4' A 4 -5.692 -0.685 -5.627 38 H3* A 4 H3' A 4 -4.992 -3.340 -6.973 39 H2* A 4 H2' A 4 -4.184 -4.133 -4.864 40 2HO* A 4 2HO' A 4 -4.074 -1.356 -4.239 41 H1* A 4 H1' A 4 -6.054 -2.804 -3.225 42 H8 A 4 H8 A 4 -7.858 -4.523 -6.063 43 1H6 A 4 H61 A 4 -7.520 -9.707 -2.677 44 2H6 A 4 H62 A 4 -8.273 -8.944 -4.060 45 H2 A 4 H2 A 4 -4.957 -6.613 -0.727 46 1H5* G 5 H5' G 5 0.495 -2.039 -5.412 47 2H5* G 5 H5'' G 5 -0.130 -3.693 -5.569 48 H4* G 5 H4' G 5 -0.044 -2.016 -3.038 49 H3* G 5 H3' G 5 2.096 -3.480 -3.888 50 H2* G 5 H2' G 5 0.880 -5.563 -4.281 51 2HO* G 5 2HO' G 5 2.491 -5.457 -2.237 52 H1* G 5 H1' G 5 -0.585 -5.268 -1.643 53 H8 G 5 H8 G 5 -2.089 -5.141 -5.189 54 H1 G 5 H1 G 5 -2.906 -10.707 -2.094 55 1H2 G 5 H21 G 5 -1.690 -10.725 -0.234 56 2H2 G 5 H22 G 5 -0.828 -9.306 0.318 57 1H5* U 6 H5' U 6 4.166 -2.494 1.706 58 2H5* U 6 H5'' U 6 4.757 -3.298 0.238 59 H4* U 6 H4' U 6 4.189 -4.875 2.089 60 H3* U 6 H3' U 6 3.641 -5.402 -0.556 61 H2* U 6 H2' U 6 1.370 -4.536 -0.564 62 2HO* U 6 2HO' U 6 0.877 -6.532 -1.210 63 H1* U 6 H1' U 6 0.824 -5.827 2.129 64 H3 U 6 H3 U 6 -3.181 -3.712 2.291 65 H5 U 6 H5 U 6 -0.682 -0.837 0.480 66 H6 U 6 H6 U 6 1.131 -2.455 0.583 67 1H5* C 7 H5' C 7 7.315 -7.659 0.561 68 2H5* C 7 H5'' C 7 7.287 -7.064 -1.112 69 H4* C 7 H4' C 7 7.598 -9.706 -0.418 70 H3* C 7 H3' C 7 6.403 -8.494 -2.961 71 H2* C 7 H2' C 7 5.819 -10.711 -3.662 72 2HO* C 7 2HO' C 7 7.105 -12.339 -3.197 73 H1* C 7 H1' C 7 5.182 -11.740 -1.119 74 1H4 C 7 H41 C 7 -0.336 -10.510 -4.074 75 2H4 C 7 H42 C 7 -0.273 -8.841 -3.554 76 H5 C 7 H5 C 7 1.658 -7.907 -2.345 77 H6 C 7 H6 C 7 3.877 -8.406 -1.458 78 1H5* C 8 H5' C 8 9.529 -12.408 -3.470 79 2H5* C 8 H5'' C 8 10.496 -11.531 -4.674 80 H4* C 8 H4' C 8 10.119 -13.930 -5.256 81 H3* C 8 H3' C 8 9.037 -11.764 -7.115 82 H2* C 8 H2' C 8 8.143 -13.491 -8.536 83 2HO* C 8 2HO' C 8 9.728 -15.274 -6.958 84 H1* C 8 H1' C 8 7.188 -15.147 -6.542 85 1H4 C 8 H41 C 8 2.219 -11.441 -8.011 86 2H4 C 8 H42 C 8 2.901 -10.088 -7.138 87 H5 C 8 H5 C 8 5.053 -10.246 -5.951 88 H6 C 8 H6 C 8 7.019 -11.644 -5.585 89 1H5* G 9 H5' G 9 10.530 -14.727 -9.139 90 2H5* G 9 H5'' G 9 11.882 -14.446 -10.253 91 H4* G 9 H4' G 9 10.393 -15.697 -11.551 92 H3* G 9 H3' G 9 9.821 -12.736 -12.080 93 H2* G 9 H2' G 9 8.092 -13.445 -13.603 94 2HO* G 9 2HO' G 9 8.059 -15.983 -13.773 95 H1* G 9 H1' G 9 7.111 -15.529 -12.046 96 H8 G 9 H8 G 9 8.174 -12.145 -10.442 97 H1 G 9 H1 G 9 1.934 -12.733 -11.825 98 1H2 G 9 H21 G 9 1.562 -14.675 -12.833 99 2H2 G 9 H22 G 9 2.866 -15.752 -13.281 100 1H5* G 10 H5' G 10 10.023 -15.466 -15.713 101 2H5* G 10 H5'' G 10 10.620 -14.494 -17.072 102 H4* G 10 H4' G 10 8.460 -15.725 -17.506 103 H3* G 10 H3' G 10 8.507 -12.669 -17.733 104 H2* G 10 H2' G 10 6.202 -12.828 -18.459 105 2HO* G 10 2HO' G 10 6.491 -14.655 -19.822 106 H1* G 10 H1' G 10 5.411 -14.649 -16.558 107 H8 G 10 H8 G 10 8.029 -12.015 -15.463 108 H1 G 10 H1 G 10 1.906 -10.298 -14.611 109 1H2 G 10 H21 G 10 0.560 -11.777 -15.578 110 2H2 G 10 H22 G 10 1.168 -13.279 -16.238 111 1H5* U 11 H5' U 11 6.994 -14.103 -22.117 112 2H5* U 11 H5'' U 11 7.881 -12.837 -22.990 113 H4* U 11 H4' U 11 5.405 -12.964 -23.485 114 H3* U 11 H3' U 11 6.577 -10.352 -22.383 115 H2* U 11 H2' U 11 4.378 -9.415 -22.649 116 2HO* U 11 2HO' U 11 4.212 -11.380 -24.519 117 H1* U 11 H1' U 11 2.998 -11.554 -21.595 118 H3 U 11 H3 U 11 2.833 -8.549 -18.159 119 H5 U 11 H5 U 11 6.771 -10.058 -18.041 120 H6 U 11 H6 U 11 6.316 -11.211 -20.128 121 1H5* C 12 H5' C 12 3.270 -9.240 -24.834 122 2H5* C 12 H5'' C 12 4.127 -8.683 -26.284 123 H4* C 12 H4' C 12 2.481 -7.037 -25.885 124 H3* C 12 H3' C 12 5.118 -6.088 -24.647 125 H2* C 12 H2' C 12 3.927 -4.031 -24.118 126 2HO* C 12 2HO' C 12 2.533 -3.374 -25.555 127 H1* C 12 H1' C 12 1.555 -5.293 -23.373 128 1H4 C 12 H41 C 12 4.743 -3.902 -18.029 129 2H4 C 12 H42 C 12 5.239 -5.575 -17.927 130 H5 C 12 H5 C 12 4.652 -7.215 -19.657 131 H6 C 12 H6 C 12 3.648 -7.511 -21.851 132 1H5* U 13 H5' U 13 4.505 -2.583 -25.860 133 2H5* U 13 H5'' U 13 6.017 -2.022 -26.598 134 H4* U 13 H4' U 13 5.466 -0.835 -24.483 135 H3* U 13 H3' U 13 8.000 -2.565 -24.436 136 H2* U 13 H2' U 13 8.385 -1.625 -22.245 137 2HO* U 13 2HO' U 13 6.796 0.110 -21.587 138 H1* U 13 H1' U 13 5.685 -1.702 -21.445 139 H3 U 13 H3 U 13 8.715 -4.557 -19.172 140 H5 U 13 H5 U 13 6.498 -6.840 -21.937 141 H6 U 13 H6 U 13 5.666 -4.762 -22.872 142 1H5* U 14 H5' U 14 9.971 1.469 -22.566 143 2H5* U 14 H5'' U 14 8.599 1.434 -23.684 144 H4* U 14 H4' U 14 11.259 2.773 -24.114 145 H3* U 14 H3' U 14 9.128 3.995 -22.866 146 H2* U 14 H2' U 14 7.540 3.784 -24.675 147 2HO* U 14 2HO' U 14 7.347 5.823 -25.285 148 H1* U 14 H1' U 14 9.708 4.405 -26.707 149 H3 U 14 H3 U 14 6.925 3.353 -30.112 150 H5 U 14 H5 U 14 5.714 0.678 -27.083 151 H6 U 14 H6 U 14 7.386 1.675 -25.629 152 1H5* C 15 H5' C 15 10.036 7.368 -20.507 153 2H5* C 15 H5'' C 15 11.411 6.339 -20.060 154 H4* C 15 H4' C 15 9.532 6.416 -18.370 155 H3* C 15 H3' C 15 11.066 4.197 -18.828 156 H2* C 15 H2' C 15 9.649 3.446 -20.712 157 2HO* C 15 2HO' C 15 9.945 1.927 -18.747 158 H1* C 15 H1' C 15 7.314 3.891 -18.782 159 1H4 C 15 H41 C 15 3.557 4.022 -23.987 160 2H4 C 15 H42 C 15 4.344 2.535 -24.466 161 H5 C 15 H5 C 15 6.366 1.700 -23.349 162 H6 C 15 H6 C 15 7.972 2.117 -21.576 163 1H5* G 16 H5' G 16 7.864 2.205 -14.056 164 2H5* G 16 H5'' G 16 7.854 1.956 -15.814 165 H4* G 16 H4' G 16 7.285 4.694 -14.700 166 H3* G 16 H3' G 16 5.300 2.367 -14.787 167 H2* G 16 H2' G 16 3.622 4.008 -15.456 168 2HO* G 16 2HO' G 16 4.216 6.253 -15.489 169 H1* G 16 H1' G 16 5.208 5.251 -17.322 170 H8 G 16 H8 G 16 2.761 3.883 -18.120 171 H1 G 16 H1 G 16 6.781 -0.897 -19.576 172 1H2 G 16 H21 G 16 8.688 -0.647 -18.486 173 2H2 G 16 H22 G 16 8.916 0.622 -17.304 174 1H5* G 17 H5' G 17 1.578 3.942 -11.944 175 2H5* G 17 H5'' G 17 1.538 2.220 -11.532 176 H4* G 17 H4' G 17 0.125 3.384 -13.609 177 H3* G 17 H3' G 17 1.083 0.482 -13.297 178 H2* G 17 H2' G 17 0.056 0.085 -15.469 179 2HO* G 17 2HO' G 17 -0.774 2.699 -15.874 180 H1* G 17 H1' G 17 1.165 2.291 -16.673 181 H8 G 17 H8 G 17 3.512 0.976 -14.004 182 H1 G 17 H1 G 17 3.666 -2.455 -19.416 183 1H2 G 17 H21 G 17 2.067 -1.758 -20.802 184 2H2 G 17 H22 G 17 0.860 -0.595 -20.300 185 1H5* A 18 H5' A 18 -2.448 0.502 -15.004 186 2H5* A 18 H5'' A 18 -3.592 -0.754 -14.495 187 H4* A 18 H4' A 18 -2.917 -0.750 -16.957 188 H3* A 18 H3' A 18 -2.547 -3.260 -15.238 189 H2* A 18 H2' A 18 -1.778 -4.365 -17.231 190 2HO* A 18 2HO' A 18 -2.096 -2.593 -19.169 191 H1* A 18 H1' A 18 -0.403 -2.160 -18.312 192 H8 A 18 H8 A 18 0.951 -2.037 -14.958 193 1H6 A 18 H61 A 18 4.059 -7.289 -16.047 194 2H6 A 18 H62 A 18 3.983 -5.849 -15.057 195 H2 A 18 H2 A 18 1.029 -6.780 -19.297 196 1H5* C 19 H5' C 19 -3.746 -5.145 -18.228 197 2H5* C 19 H5'' C 19 -5.402 -5.727 -17.973 198 H4* C 19 H4' C 19 -4.334 -7.691 -18.599 199 H3* C 19 H3' C 19 -3.980 -7.534 -15.557 200 H2* C 19 H2' C 19 -2.792 -9.622 -15.724 201 2HO* C 19 2HO' C 19 -2.857 -10.535 -18.071 202 H1* C 19 H1' C 19 -1.490 -9.044 -18.152 203 1H4 C 19 H41 C 19 2.857 -8.042 -13.599 204 2H4 C 19 H42 C 19 2.118 -6.517 -13.161 205 H5 C 19 H5 C 19 0.050 -5.705 -14.215 206 H6 C 19 H6 C 19 -1.703 -6.240 -15.825 207 1H5* C 20 H5' C 20 -4.829 -11.214 -16.660 208 2H5* C 20 H5'' C 20 -6.349 -11.883 -16.032 209 H4* C 20 H4' C 20 -4.869 -13.643 -15.669 210 H3* C 20 H3' C 20 -4.799 -11.933 -13.127 211 H2* C 20 H2' C 20 -3.163 -13.460 -12.264 212 2HO* C 20 2HO' C 20 -3.716 -15.238 -14.419 213 H1* C 20 H1' C 20 -1.868 -13.994 -14.719 214 1H4 C 20 H41 C 20 2.057 -9.961 -11.729 215 2H4 C 20 H42 C 20 0.896 -8.656 -11.814 216 H5 C 20 H5 C 20 -1.412 -9.003 -12.602 217 H6 C 20 H6 C 20 -2.941 -10.604 -13.622 218 1H5* G 21 H5' G 21 -5.827 -16.711 -12.145 219 2H5* G 21 H5'' G 21 -6.530 -16.440 -10.538 220 H4* G 21 H4' G 21 -4.609 -18.141 -10.731 221 H3* G 21 H3' G 21 -4.546 -15.850 -8.706 222 H2* G 21 H2' G 21 -2.435 -16.747 -7.939 223 2HO* G 21 2HO' G 21 -1.989 -18.835 -8.113 224 H1* G 21 H1' G 21 -1.415 -17.376 -10.438 225 H8 G 21 H8 G 21 -3.365 -14.053 -9.997 226 H1 G 21 H1 G 21 2.989 -13.657 -9.176 227 1H2 G 21 H21 G 21 3.890 -15.686 -9.235 228 2H2 G 21 H22 G 21 2.932 -17.116 -9.543 229 1H5* G 22 H5' G 22 -5.289 -19.689 -6.194 230 2H5* G 22 H5'' G 22 -6.233 -19.219 -4.765 231 H4* G 22 H4' G 22 -3.928 -20.182 -4.302 232 H3* G 22 H3' G 22 -4.746 -17.433 -3.254 233 H2* G 22 H2' G 22 -2.555 -17.207 -2.273 234 2HO* G 22 2HO' G 22 -1.132 -19.105 -2.311 235 H1* G 22 H1' G 22 -1.106 -18.238 -4.385 236 H8 G 22 H8 G 22 -3.781 -16.303 -6.103 237 H1 G 22 H1 G 22 0.588 -12.491 -3.339 238 1H2 G 22 H21 G 22 1.929 -13.698 -2.038 239 2H2 G 22 H22 G 22 1.605 -15.382 -1.693 240 1H5* C 23 H5' C 23 -4.000 -19.162 0.592 241 2H5* C 23 H5'' C 23 -5.244 -18.533 1.691 242 H4* C 23 H4' C 23 -2.921 -17.669 2.130 243 H3* C 23 H3' C 23 -5.160 -15.700 1.450 244 H2* C 23 H2' C 23 -3.556 -13.914 1.711 245 2HO* C 23 2HO' C 23 -2.634 -15.025 3.638 246 H1* C 23 H1' C 23 -1.459 -15.153 0.403 247 1H4 C 23 H41 C 23 -4.499 -11.571 -3.918 248 2H4 C 23 H42 C 23 -5.487 -12.941 -4.374 249 H5 C 23 H5 C 23 -5.472 -15.054 -3.109 250 H6 C 23 H6 C 23 -4.437 -16.248 -1.249 251 1H5* U 24 H5' U 24 -4.191 -14.242 5.584 252 2H5* U 24 H5'' U 24 -5.679 -13.422 6.099 253 H4* U 24 H4' U 24 -3.529 -12.018 5.493 254 H3* U 24 H3' U 24 -6.385 -11.345 4.625 255 H2* U 24 H2' U 24 -5.502 -9.451 3.451 256 2HO* U 24 2HO' U 24 -2.898 -9.664 4.389 257 H1* U 24 H1' U 24 -3.079 -10.632 2.632 258 H3 U 24 H3 U 24 -5.578 -9.425 -1.047 259 H5 U 24 H5 U 24 -7.008 -13.222 0.115 260 H6 U 24 H6 U 24 -5.670 -13.025 2.135 261 1H5* U 25 H5' U 25 -4.137 -8.111 6.653 262 2H5* U 25 H5'' U 25 -5.153 -6.885 7.438 263 H4* U 25 H4' U 25 -3.483 -6.101 5.631 264 H3* U 25 H3' U 25 -6.435 -5.322 5.654 265 H2* U 25 H2' U 25 -6.083 -4.100 3.606 266 2HO* U 25 2HO' U 25 -4.245 -3.013 3.719 267 H1* U 25 H1' U 25 -4.446 -5.941 2.357 268 H3 U 25 H3 U 25 -8.513 -6.052 0.231 269 H5 U 25 H5 U 25 -8.973 -8.522 3.621 270 H6 U 25 H6 U 25 -6.799 -7.749 4.386 271 1H5* C 26 H5' C 26 -4.747 -1.634 4.915 272 2H5* C 26 H5'' C 26 -5.147 -0.522 6.239 273 H4* C 26 H4' C 26 -5.735 0.447 4.060 274 H3* C 26 H3' C 26 -8.075 -0.270 5.894 275 H2* C 26 H2' C 26 -9.576 0.501 4.196 276 2HO* C 26 2HO' C 26 -8.566 1.735 2.367 277 H1* C 26 H1' C 26 -8.057 -0.305 1.959 278 1H4 C 26 H41 C 26 -12.865 -4.445 2.549 279 2H4 C 26 H42 C 26 -11.934 -5.401 3.680 280 H5 C 26 H5 C 26 -9.676 -4.742 4.410 281 H6 C 26 H6 C 26 -7.998 -2.972 4.319 282 1H5* C 27 H5' C 27 -10.315 2.757 8.384 283 2H5* C 27 H5'' C 27 -10.343 1.248 7.447 284 H4* C 27 H4' C 27 -11.553 3.842 6.446 285 H3* C 27 H3' C 27 -12.839 1.580 8.036 286 H2* C 27 H2' C 27 -14.822 1.884 6.720 287 2HO* C 27 2HO' C 27 -13.515 4.267 5.836 288 H1* C 27 H1' C 27 -13.507 2.097 4.301 289 1H4 C 27 H41 C 27 -15.039 -4.052 5.220 290 2H4 C 27 H42 C 27 -13.386 -4.369 5.695 291 H5 C 27 H5 C 27 -11.693 -2.583 5.823 292 H6 C 27 H6 C 27 -11.343 -0.171 5.735 293 H3T C 27 H3T C 27 -12.673 4.369 8.065 Start of MODEL 3 1 1H5* G 1 H5' G 1 -13.546 -11.222 -9.896 2 2H5* G 1 H5'' G 1 -12.094 -10.436 -10.547 3 H4* G 1 H4' G 1 -14.035 -8.966 -10.778 4 H3* G 1 H3' G 1 -11.967 -8.064 -8.711 5 H2* G 1 H2' G 1 -13.347 -6.073 -8.402 6 2HO* G 1 2HO' G 1 -14.790 -5.455 -9.885 7 H1* G 1 H1' G 1 -15.720 -7.419 -8.205 8 H8 G 1 H8 G 1 -12.924 -9.621 -6.849 9 H1 G 1 H1 G 1 -15.277 -5.474 -2.557 10 1H2 G 1 H21 G 1 -16.547 -3.963 -3.569 11 2H2 G 1 H22 G 1 -16.982 -4.106 -5.259 12 H5T G 1 H5T G 1 -11.435 -9.979 -8.467 13 1H5* G 2 H5' G 2 -12.678 -4.948 -10.468 14 2H5* G 2 H5'' G 2 -11.362 -3.814 -10.826 15 H4* G 2 H4' G 2 -12.876 -2.873 -9.158 16 H3* G 2 H3' G 2 -10.146 -3.674 -8.011 17 H2* G 2 H2' G 2 -10.909 -2.653 -5.959 18 2HO* G 2 2HO' G 2 -12.823 -1.338 -5.988 19 H1* G 2 H1' G 2 -13.574 -3.538 -6.185 20 H8 G 2 H8 G 2 -11.910 -6.704 -6.802 21 H1 G 2 H1 G 2 -10.777 -4.670 -0.818 22 1H2 G 2 H21 G 2 -11.292 -2.514 -0.639 23 2H2 G 2 H22 G 2 -11.940 -1.601 -1.983 24 1H5* A 3 H5' A 3 -9.802 0.342 -7.066 25 2H5* A 3 H5'' A 3 -8.323 0.979 -7.813 26 H4* A 3 H4' A 3 -8.101 1.343 -5.471 27 H3* A 3 H3' A 3 -6.516 -1.149 -6.298 28 H2* A 3 H2' A 3 -5.792 -1.281 -4.005 29 2HO* A 3 2HO' A 3 -6.988 1.177 -3.326 30 H1* A 3 H1' A 3 -8.233 -0.469 -2.866 31 H8 A 3 H8 A 3 -8.639 -3.077 -5.642 32 1H6 A 3 H61 A 3 -7.849 -7.286 -1.161 33 2H6 A 3 H62 A 3 -8.147 -7.055 -2.869 34 H2 A 3 H2 A 3 -6.935 -3.261 0.549 35 1H5* A 4 H5' A 4 -4.553 1.211 -3.475 36 2H5* A 4 H5'' A 4 -2.946 1.668 -4.074 37 H4* A 4 H4' A 4 -2.670 0.918 -1.821 38 H3* A 4 H3' A 4 -1.799 -1.230 -3.820 39 H2* A 4 H2' A 4 -1.214 -2.605 -1.941 40 2HO* A 4 2HO' A 4 -1.538 -1.080 0.187 41 H1* A 4 H1' A 4 -3.303 -1.759 -0.237 42 H8 A 4 H8 A 4 -3.998 -2.812 -3.916 43 1H6 A 4 H61 A 4 -5.278 -8.376 -1.486 44 2H6 A 4 H62 A 4 -5.391 -7.383 -2.923 45 H2 A 4 H2 A 4 -3.853 -5.721 1.812 46 1H5* G 5 H5' G 5 2.990 -2.220 -2.097 47 2H5* G 5 H5'' G 5 1.694 -3.230 -2.768 48 H4* G 5 H4' G 5 2.031 -2.782 0.207 49 H3* G 5 H3' G 5 3.970 -4.226 -1.188 50 H2* G 5 H2' G 5 2.416 -5.867 -2.109 51 2HO* G 5 2HO' G 5 3.708 -7.249 -1.056 52 H1* G 5 H1' G 5 0.985 -5.886 0.586 53 H8 G 5 H8 G 5 -0.519 -5.003 -2.840 54 H1 G 5 H1 G 5 -2.009 -10.867 -0.691 55 1H2 G 5 H21 G 5 -0.834 -11.328 1.135 56 2H2 G 5 H22 G 5 0.317 -10.194 1.809 57 1H5* U 6 H5' U 6 5.431 -4.108 4.799 58 2H5* U 6 H5'' U 6 6.365 -4.165 3.290 59 H4* U 6 H4' U 6 6.336 -6.352 4.398 60 H3* U 6 H3' U 6 5.863 -6.136 1.692 61 H2* U 6 H2' U 6 3.437 -6.076 1.829 62 2HO* U 6 2HO' U 6 3.813 -8.880 2.001 63 H1* U 6 H1' U 6 3.480 -8.276 3.926 64 H3 U 6 H3 U 6 -0.976 -7.771 4.565 65 H5 U 6 H5 U 6 0.306 -3.824 3.809 66 H6 U 6 H6 U 6 2.558 -4.692 3.506 67 1H5* C 7 H5' C 7 7.757 -7.858 -0.685 68 2H5* C 7 H5'' C 7 6.339 -8.019 0.372 69 H4* C 7 H4' C 7 8.261 -10.274 0.504 70 H3* C 7 H3' C 7 6.760 -9.651 -2.086 71 H2* C 7 H2' C 7 6.189 -11.984 -2.250 72 2HO* C 7 2HO' C 7 8.458 -12.196 -0.662 73 H1* C 7 H1' C 7 5.633 -12.412 0.427 74 1H4 C 7 H41 C 7 0.210 -11.092 -2.741 75 2H4 C 7 H42 C 7 0.173 -9.545 -1.925 76 H5 C 7 H5 C 7 2.114 -8.671 -0.685 77 H6 C 7 H6 C 7 4.338 -9.214 0.161 78 1H5* C 8 H5' C 8 9.262 -13.590 -2.975 79 2H5* C 8 H5'' C 8 10.321 -12.775 -4.143 80 H4* C 8 H4' C 8 9.594 -14.915 -5.047 81 H3* C 8 H3' C 8 8.373 -12.459 -6.397 82 H2* C 8 H2' C 8 7.160 -13.943 -7.862 83 2HO* C 8 2HO' C 8 9.225 -15.650 -7.118 84 H1* C 8 H1' C 8 6.417 -15.791 -5.952 85 1H4 C 8 H41 C 8 1.609 -11.602 -6.235 86 2H4 C 8 H42 C 8 2.430 -10.539 -5.116 87 H5 C 8 H5 C 8 4.732 -10.952 -4.352 88 H6 C 8 H6 C 8 6.623 -12.487 -4.485 89 1H5* G 9 H5' G 9 9.347 -15.340 -9.084 90 2H5* G 9 H5'' G 9 10.174 -14.784 -10.553 91 H4* G 9 H4' G 9 8.139 -16.104 -11.057 92 H3* G 9 H3' G 9 8.084 -13.144 -11.850 93 H2* G 9 H2' G 9 5.912 -13.579 -12.824 94 2HO* G 9 2HO' G 9 6.026 -16.326 -12.241 95 H1* G 9 H1' G 9 4.961 -15.162 -10.757 96 H8 G 9 H8 G 9 7.070 -12.250 -9.460 97 H1 G 9 H1 G 9 0.964 -10.727 -10.721 98 1H2 G 9 H21 G 9 -0.021 -12.391 -11.813 99 2H2 G 9 H22 G 9 0.794 -13.908 -12.124 100 1H5* G 10 H5' G 10 6.502 -15.804 -14.794 101 2H5* G 10 H5'' G 10 6.816 -15.215 -16.438 102 H4* G 10 H4' G 10 4.368 -15.590 -15.774 103 H3* G 10 H3' G 10 5.291 -12.874 -16.861 104 H2* G 10 H2' G 10 2.943 -12.259 -16.811 105 2HO* G 10 2HO' G 10 2.457 -15.013 -16.212 106 H1* G 10 H1' G 10 2.433 -13.352 -14.321 107 H8 G 10 H8 G 10 5.901 -11.798 -14.328 108 H1 G 10 H1 G 10 1.162 -7.541 -13.582 109 1H2 G 10 H21 G 10 -0.788 -8.480 -14.081 110 2H2 G 10 H22 G 10 -0.931 -10.199 -14.378 111 1H5* U 11 H5' U 11 2.103 -14.021 -19.360 112 2H5* U 11 H5'' U 11 2.566 -13.880 -21.068 113 H4* U 11 H4' U 11 0.515 -12.666 -20.745 114 H3* U 11 H3' U 11 2.909 -10.752 -20.963 115 H2* U 11 H2' U 11 1.273 -8.997 -20.911 116 2HO* U 11 2HO' U 11 -0.444 -11.115 -21.588 117 H1* U 11 H1' U 11 -0.285 -10.105 -18.904 118 H3 U 11 H3 U 11 1.690 -6.603 -16.766 119 H5 U 11 H5 U 11 4.783 -9.447 -17.153 120 H6 U 11 H6 U 11 3.294 -10.774 -18.538 121 1H5* C 12 H5' C 12 -0.535 -8.842 -22.642 122 2H5* C 12 H5'' C 12 -0.153 -8.907 -24.373 123 H4* C 12 H4' C 12 -0.946 -6.705 -23.963 124 H3* C 12 H3' C 12 2.119 -6.665 -23.982 125 H2* C 12 H2' C 12 1.886 -4.245 -23.804 126 2HO* C 12 2HO' C 12 0.284 -3.438 -24.916 127 H1* C 12 H1' C 12 -0.214 -4.338 -21.971 128 1H4 C 12 H41 C 12 5.232 -3.306 -18.783 129 2H4 C 12 H42 C 12 5.257 -4.997 -18.333 130 H5 C 12 H5 C 12 3.541 -6.582 -19.111 131 H6 C 12 H6 C 12 1.634 -6.869 -20.595 132 1H5* U 13 H5' U 13 1.894 -3.374 -26.006 133 2H5* U 13 H5'' U 13 3.212 -3.451 -27.192 134 H4* U 13 H4' U 13 3.506 -1.772 -25.306 135 H3* U 13 H3' U 13 5.630 -3.952 -25.700 136 H2* U 13 H2' U 13 6.877 -2.802 -23.984 137 2HO* U 13 2HO' U 13 5.677 -0.687 -23.276 138 H1* U 13 H1' U 13 4.634 -2.164 -22.397 139 H3 U 13 H3 U 13 7.828 -5.169 -20.571 140 H5 U 13 H5 U 13 4.499 -7.369 -21.935 141 H6 U 13 H6 U 13 3.701 -5.346 -23.014 142 1H5* U 14 H5' U 14 8.573 -0.167 -25.170 143 2H5* U 14 H5'' U 14 6.960 -0.071 -25.889 144 H4* U 14 H4' U 14 9.573 0.652 -27.195 145 H3* U 14 H3' U 14 8.109 2.420 -25.671 146 H2* U 14 H2' U 14 6.059 2.309 -26.951 147 2HO* U 14 2HO' U 14 6.175 4.360 -27.444 148 H1* U 14 H1' U 14 7.642 2.248 -29.543 149 H3 U 14 H3 U 14 3.882 1.386 -31.904 150 H5 U 14 H5 U 14 3.162 -0.631 -28.270 151 H6 U 14 H6 U 14 5.311 0.176 -27.477 152 1H5* C 15 H5' C 15 10.135 5.835 -24.300 153 2H5* C 15 H5'' C 15 11.411 4.654 -23.940 154 H4* C 15 H4' C 15 10.005 5.340 -21.959 155 H3* C 15 H3' C 15 11.024 2.813 -22.297 156 H2* C 15 H2' C 15 9.076 2.070 -23.628 157 2HO* C 15 2HO' C 15 9.562 0.648 -21.830 158 H1* C 15 H1' C 15 7.426 3.306 -21.362 159 1H4 C 15 H41 C 15 2.443 3.282 -25.400 160 2H4 C 15 H42 C 15 2.839 1.608 -25.720 161 H5 C 15 H5 C 15 4.980 0.614 -25.038 162 H6 C 15 H6 C 15 7.060 1.003 -23.847 163 1H5* G 16 H5' G 16 8.917 2.585 -16.622 164 2H5* G 16 H5'' G 16 8.444 1.923 -18.202 165 H4* G 16 H4' G 16 8.702 4.898 -17.913 166 H3* G 16 H3' G 16 6.398 3.250 -16.756 167 H2* G 16 H2' G 16 4.887 4.951 -17.613 168 2HO* G 16 2HO' G 16 5.779 6.891 -18.519 169 H1* G 16 H1' G 16 6.079 5.209 -20.074 170 H8 G 16 H8 G 16 3.294 4.262 -19.706 171 H1 G 16 H1 G 16 6.026 -1.460 -20.689 172 1H2 G 16 H21 G 16 8.195 -1.350 -20.268 173 2H2 G 16 H22 G 16 8.956 0.121 -19.704 174 1H5* G 17 H5' G 17 3.978 6.398 -13.876 175 2H5* G 17 H5'' G 17 3.805 4.915 -12.922 176 H4* G 17 H4' G 17 2.044 5.746 -14.889 177 H3* G 17 H3' G 17 2.617 2.900 -13.886 178 H2* G 17 H2' G 17 0.924 2.195 -15.497 179 2HO* G 17 2HO' G 17 0.507 4.993 -15.939 180 H1* G 17 H1' G 17 1.970 3.653 -17.576 181 H8 G 17 H8 G 17 4.688 2.530 -15.147 182 H1 G 17 H1 G 17 2.850 -2.060 -19.218 183 1H2 G 17 H21 G 17 1.146 -1.357 -20.450 184 2H2 G 17 H22 G 17 0.335 0.159 -20.116 185 1H5* A 18 H5' A 18 -1.040 3.477 -14.240 186 2H5* A 18 H5'' A 18 -2.322 2.949 -13.133 187 H4* A 18 H4' A 18 -2.639 1.951 -15.337 188 H3* A 18 H3' A 18 -1.730 -0.043 -13.192 189 H2* A 18 H2' A 18 -2.003 -1.744 -14.879 190 2HO* A 18 2HO' A 18 -3.798 0.126 -15.840 191 H1* A 18 H1' A 18 -1.049 -0.199 -17.021 192 H8 A 18 H8 A 18 1.390 0.294 -14.223 193 1H6 A 18 H61 A 18 3.770 -5.238 -15.692 194 2H6 A 18 H62 A 18 4.055 -3.737 -14.841 195 H2 A 18 H2 A 18 -0.072 -4.755 -17.918 196 1H5* C 19 H5' C 19 -4.606 -1.698 -14.923 197 2H5* C 19 H5'' C 19 -6.076 -2.100 -14.014 198 H4* C 19 H4' C 19 -5.593 -4.141 -15.010 199 H3* C 19 H3' C 19 -4.035 -4.160 -12.368 200 H2* C 19 H2' C 19 -3.296 -6.366 -12.990 201 2HO* C 19 2HO' C 19 -5.565 -6.217 -14.671 202 H1* C 19 H1' C 19 -3.014 -5.833 -15.735 203 1H4 C 19 H41 C 19 2.889 -5.584 -13.324 204 2H4 C 19 H42 C 19 2.561 -4.068 -12.513 205 H5 C 19 H5 C 19 0.291 -3.113 -12.393 206 H6 C 19 H6 C 19 -2.001 -3.336 -13.194 207 1H5* C 20 H5' C 20 -7.427 -7.515 -12.276 208 2H5* C 20 H5'' C 20 -7.369 -8.236 -10.654 209 H4* C 20 H4' C 20 -6.763 -9.653 -12.838 210 H3* C 20 H3' C 20 -5.337 -9.798 -10.129 211 H2* C 20 H2' C 20 -3.922 -11.498 -11.117 212 2HO* C 20 2HO' C 20 -6.116 -11.736 -12.777 213 H1* C 20 H1' C 20 -3.550 -10.215 -13.538 214 1H4 C 20 H41 C 20 1.380 -8.562 -9.850 215 2H4 C 20 H42 C 20 0.470 -7.225 -9.184 216 H5 C 20 H5 C 20 -1.855 -6.758 -9.855 217 H6 C 20 H6 C 20 -3.769 -7.612 -11.102 218 1H5* G 21 H5' G 21 -6.723 -13.913 -10.785 219 2H5* G 21 H5'' G 21 -7.354 -14.557 -9.256 220 H4* G 21 H4' G 21 -5.526 -15.950 -10.117 221 H3* G 21 H3' G 21 -4.848 -14.385 -7.575 222 H2* G 21 H2' G 21 -2.736 -15.576 -7.613 223 2HO* G 21 2HO' G 21 -4.274 -17.356 -9.072 224 H1* G 21 H1' G 21 -2.340 -15.392 -10.354 225 H8 G 21 H8 G 21 -3.737 -12.143 -8.902 226 H1 G 21 H1 G 21 2.616 -12.814 -8.243 227 1H2 G 21 H21 G 21 3.232 -14.852 -8.887 228 2H2 G 21 H22 G 21 2.059 -16.086 -9.292 229 1H5* G 22 H5' G 22 -5.258 -18.743 -6.103 230 2H5* G 22 H5'' G 22 -6.189 -18.659 -4.593 231 H4* G 22 H4' G 22 -4.036 -19.786 -4.243 232 H3* G 22 H3' G 22 -4.396 -17.072 -2.894 233 H2* G 22 H2' G 22 -2.163 -17.289 -1.996 234 2HO* G 22 2HO' G 22 -1.210 -19.225 -1.752 235 H1* G 22 H1' G 22 -0.960 -18.267 -4.277 236 H8 G 22 H8 G 22 -3.518 -15.761 -5.454 237 H1 G 22 H1 G 22 1.786 -13.037 -3.062 238 1H2 G 22 H21 G 22 3.057 -14.580 -2.091 239 2H2 G 22 H22 G 22 2.508 -16.228 -1.876 240 1H5* C 23 H5' C 23 -3.512 -19.127 0.438 241 2H5* C 23 H5'' C 23 -4.680 -18.901 1.756 242 H4* C 23 H4' C 23 -2.577 -17.978 2.465 243 H3* C 23 H3' C 23 -4.596 -15.816 1.678 244 H2* C 23 H2' C 23 -2.928 -14.184 2.316 245 2HO* C 23 2HO' C 23 -1.452 -16.401 3.359 246 H1* C 23 H1' C 23 -0.784 -15.449 1.127 247 1H4 C 23 H41 C 23 -3.118 -11.346 -3.177 248 2H4 C 23 H42 C 23 -4.190 -12.581 -3.800 249 H5 C 23 H5 C 23 -4.549 -14.719 -2.626 250 H6 C 23 H6 C 23 -3.781 -16.127 -0.786 251 1H5* U 24 H5' U 24 -4.308 -14.632 6.262 252 2H5* U 24 H5'' U 24 -6.048 -14.350 6.469 253 H4* U 24 H4' U 24 -4.461 -12.386 6.947 254 H3* U 24 H3' U 24 -6.815 -12.101 5.006 255 H2* U 24 H2' U 24 -6.180 -9.801 4.757 256 2HO* U 24 2HO' U 24 -5.077 -10.282 7.281 257 H1* U 24 H1' U 24 -3.395 -10.208 4.911 258 H3 U 24 H3 U 24 -4.562 -8.395 0.837 259 H5 U 24 H5 U 24 -5.026 -12.567 0.420 260 H6 U 24 H6 U 24 -4.697 -12.768 2.821 261 1H5* U 25 H5' U 25 -7.331 -8.861 8.684 262 2H5* U 25 H5'' U 25 -8.998 -8.353 8.343 263 H4* U 25 H4' U 25 -6.965 -6.616 8.295 264 H3* U 25 H3' U 25 -9.357 -6.682 6.384 265 H2* U 25 H2' U 25 -8.380 -4.780 5.260 266 2HO* U 25 2HO' U 25 -6.691 -3.604 6.224 267 H1* U 25 H1' U 25 -5.751 -5.670 5.335 268 H3 U 25 H3 U 25 -7.025 -6.019 0.953 269 H5 U 25 H5 U 25 -8.822 -9.333 2.845 270 H6 U 25 H6 U 25 -8.081 -8.425 4.975 271 1H5* C 26 H5' C 26 -10.249 -2.527 8.000 272 2H5* C 26 H5'' C 26 -12.006 -2.493 7.749 273 H4* C 26 H4' C 26 -10.403 -1.007 6.256 274 H3* C 26 H3' C 26 -12.816 -2.600 5.265 275 H2* C 26 H2' C 26 -12.297 -1.899 3.036 276 2HO* C 26 2HO' C 26 -12.053 0.333 3.722 277 H1* C 26 H1' C 26 -9.488 -1.873 3.301 278 1H4 C 26 H41 C 26 -10.964 -7.056 -0.086 279 2H4 C 26 H42 C 26 -11.244 -7.969 1.380 280 H5 C 26 H5 C 26 -11.005 -6.960 3.619 281 H6 C 26 H6 C 26 -10.678 -4.863 4.825 282 1H5* C 27 H5' C 27 -16.855 -0.211 4.408 283 2H5* C 27 H5'' C 27 -16.020 -1.713 3.962 284 H4* C 27 H4' C 27 -16.348 0.765 2.233 285 H3* C 27 H3' C 27 -17.545 -2.038 2.124 286 H2* C 27 H2' C 27 -17.550 -1.868 -0.269 287 2HO* C 27 2HO' C 27 -16.797 0.231 -1.177 288 H1* C 27 H1' C 27 -15.008 -0.811 -0.467 289 1H4 C 27 H41 C 27 -14.586 -7.204 -0.799 290 2H4 C 27 H42 C 27 -13.964 -7.208 0.836 291 H5 C 27 H5 C 27 -13.798 -5.161 2.185 292 H6 C 27 H6 C 27 -14.324 -2.780 2.255 293 H3T C 27 H3T C 27 -18.382 0.650 1.993 Start of MODEL 4 1 1H5* G 1 H5' G 1 -22.567 -10.724 0.259 2 2H5* G 1 H5'' G 1 -22.003 -11.396 -1.284 3 H4* G 1 H4' G 1 -21.400 -9.068 -1.225 4 H3* G 1 H3' G 1 -19.040 -10.957 -0.806 5 H2* G 1 H2' G 1 -17.616 -9.110 -0.415 6 2HO* G 1 2HO' G 1 -19.568 -7.783 -1.968 7 H1* G 1 H1' G 1 -19.485 -7.355 0.756 8 H8 G 1 H8 G 1 -17.721 -10.767 1.256 9 H1 G 1 H1 G 1 -17.882 -6.946 6.413 10 1H2 G 1 H21 G 1 -19.206 -5.201 6.017 11 2H2 G 1 H22 G 1 -19.860 -4.885 4.426 12 H5T G 1 H5T G 1 -20.795 -12.717 -0.226 13 1H5* G 2 H5' G 2 -19.117 -7.901 -4.949 14 2H5* G 2 H5'' G 2 -17.443 -7.949 -5.541 15 H4* G 2 H4' G 2 -18.653 -5.635 -4.967 16 H3* G 2 H3' G 2 -15.739 -6.397 -4.494 17 H2* G 2 H2' G 2 -15.394 -4.326 -3.317 18 2HO* G 2 2HO' G 2 -17.053 -2.684 -3.402 19 H1* G 2 H1' G 2 -17.747 -4.287 -1.891 20 H8 G 2 H8 G 2 -16.638 -7.887 -2.080 21 H1 G 2 H1 G 2 -13.427 -4.469 2.303 22 1H2 G 2 H21 G 2 -13.904 -2.317 2.088 23 2H2 G 2 H22 G 2 -14.928 -1.715 0.802 24 1H5* A 3 H5' A 3 -15.309 -2.318 -6.320 25 2H5* A 3 H5'' A 3 -14.006 -2.547 -7.504 26 H4* A 3 H4' A 3 -13.594 -0.766 -5.746 27 H3* A 3 H3' A 3 -11.644 -3.096 -6.091 28 H2* A 3 H2' A 3 -10.314 -2.153 -4.321 29 2HO* A 3 2HO' A 3 -11.195 0.066 -3.558 30 H1* A 3 H1' A 3 -12.416 -1.329 -2.693 31 H8 A 3 H8 A 3 -13.236 -4.762 -4.058 32 1H6 A 3 H61 A 3 -9.667 -7.029 0.467 33 2H6 A 3 H62 A 3 -10.910 -7.410 -0.703 34 H2 A 3 H2 A 3 -9.115 -2.597 0.371 35 1H5* A 4 H5' A 4 -9.245 0.332 -5.509 36 2H5* A 4 H5'' A 4 -8.128 0.442 -6.885 37 H4* A 4 H4' A 4 -6.874 0.578 -4.809 38 H3* A 4 H3' A 4 -6.518 -2.054 -6.328 39 H2* A 4 H2' A 4 -5.020 -2.774 -4.592 40 2HO* A 4 2HO' A 4 -5.050 -0.094 -3.603 41 H1* A 4 H1' A 4 -6.406 -1.659 -2.436 42 H8 A 4 H8 A 4 -8.543 -3.439 -5.110 43 1H6 A 4 H61 A 4 -7.737 -8.524 -1.661 44 2H6 A 4 H62 A 4 -8.665 -7.808 -2.960 45 H2 A 4 H2 A 4 -5.227 -5.264 0.080 46 1H5* G 5 H5' G 5 -0.740 -0.845 -6.217 47 2H5* G 5 H5'' G 5 -1.647 -2.367 -6.330 48 H4* G 5 H4' G 5 -1.150 -0.857 -3.745 49 H3* G 5 H3' G 5 0.892 -2.272 -4.973 50 H2* G 5 H2' G 5 -0.316 -4.384 -5.134 51 2HO* G 5 2HO' G 5 0.257 -5.412 -2.909 52 H1* G 5 H1' G 5 -1.409 -3.947 -2.327 53 H8 G 5 H8 G 5 -3.450 -4.215 -5.571 54 H1 G 5 H1 G 5 -3.375 -9.546 -1.998 55 1H2 G 5 H21 G 5 -1.896 -9.333 -0.351 56 2H2 G 5 H22 G 5 -1.005 -7.852 -0.093 57 1H5* U 6 H5' U 6 3.056 -0.472 -0.570 58 2H5* U 6 H5'' U 6 4.582 -0.715 -1.447 59 H4* U 6 H4' U 6 4.573 -2.786 -0.494 60 H3* U 6 H3' U 6 2.684 -3.080 -2.802 61 H2* U 6 H2' U 6 1.170 -4.416 -1.593 62 2HO* U 6 2HO' U 6 1.962 -6.361 -1.773 63 H1* U 6 H1' U 6 3.007 -4.636 0.795 64 H3 U 6 H3 U 6 -0.815 -6.203 2.752 65 H5 U 6 H5 U 6 -1.850 -2.343 1.402 66 H6 U 6 H6 U 6 0.316 -2.224 0.311 67 1H5* C 7 H5' C 7 8.493 -4.991 -3.828 68 2H5* C 7 H5'' C 7 7.028 -5.091 -4.822 69 H4* C 7 H4' C 7 8.145 -7.046 -2.839 70 H3* C 7 H3' C 7 6.718 -7.264 -5.538 71 H2* C 7 H2' C 7 5.871 -9.394 -4.877 72 2HO* C 7 2HO' C 7 6.946 -10.218 -2.751 73 H1* C 7 H1' C 7 5.600 -8.868 -2.114 74 1H4 C 7 H41 C 7 -0.215 -8.898 -4.772 75 2H4 C 7 H42 C 7 -0.211 -7.150 -4.698 76 H5 C 7 H5 C 7 1.759 -5.868 -3.953 77 H6 C 7 H6 C 7 4.098 -6.033 -3.310 78 1H5* C 8 H5' C 8 9.824 -10.849 -5.299 79 2H5* C 8 H5'' C 8 10.582 -10.725 -6.900 80 H4* C 8 H4' C 8 9.842 -13.042 -6.318 81 H3* C 8 H3' C 8 8.678 -11.631 -8.751 82 H2* C 8 H2' C 8 7.201 -13.481 -9.143 83 2HO* C 8 2HO' C 8 7.670 -15.493 -8.449 84 H1* C 8 H1' C 8 6.531 -14.036 -6.519 85 1H4 C 8 H41 C 8 2.006 -10.184 -8.870 86 2H4 C 8 H42 C 8 2.817 -8.808 -8.156 87 H5 C 8 H5 C 8 5.102 -8.959 -7.253 88 H6 C 8 H6 C 8 6.908 -10.494 -6.674 89 1H5* G 9 H5' G 9 8.839 -15.303 -9.933 90 2H5* G 9 H5'' G 9 10.048 -15.597 -11.199 91 H4* G 9 H4' G 9 8.154 -16.593 -12.115 92 H3* G 9 H3' G 9 8.194 -13.692 -13.085 93 H2* G 9 H2' G 9 6.110 -14.112 -14.208 94 2HO* G 9 2HO' G 9 6.940 -16.796 -13.895 95 H1* G 9 H1' G 9 4.935 -15.660 -12.226 96 H8 G 9 H8 G 9 7.022 -12.516 -11.272 97 H1 G 9 H1 G 9 0.692 -11.593 -11.830 98 1H2 G 9 H21 G 9 -0.285 -13.456 -12.541 99 2H2 G 9 H22 G 9 0.629 -14.900 -12.915 100 1H5* G 10 H5' G 10 7.174 -16.766 -16.727 101 2H5* G 10 H5'' G 10 7.955 -15.822 -18.011 102 H4* G 10 H4' G 10 5.523 -16.472 -18.407 103 H3* G 10 H3' G 10 6.396 -13.539 -18.507 104 H2* G 10 H2' G 10 4.112 -13.002 -19.096 105 2HO* G 10 2HO' G 10 3.856 -15.823 -19.463 106 H1* G 10 H1' G 10 2.909 -14.666 -17.264 107 H8 G 10 H8 G 10 6.190 -12.885 -16.213 108 H1 G 10 H1 G 10 0.780 -9.747 -14.784 109 1H2 G 10 H21 G 10 -0.957 -10.761 -15.727 110 2H2 G 10 H22 G 10 -0.798 -12.310 -16.523 111 1H5* U 11 H5' U 11 4.247 -14.327 -22.291 112 2H5* U 11 H5'' U 11 5.401 -13.928 -23.579 113 H4* U 11 H4' U 11 3.348 -12.881 -24.173 114 H3* U 11 H3' U 11 5.282 -10.845 -22.945 115 H2* U 11 H2' U 11 3.600 -9.179 -23.338 116 2HO* U 11 2HO' U 11 2.539 -11.187 -25.020 117 H1* U 11 H1' U 11 1.459 -10.651 -22.431 118 H3 U 11 H3 U 11 2.164 -7.841 -18.906 119 H5 U 11 H5 U 11 5.337 -10.611 -18.665 120 H6 U 11 H6 U 11 4.613 -11.517 -20.799 121 1H5* C 12 H5' C 12 2.778 -8.654 -25.608 122 2H5* C 12 H5'' C 12 3.883 -8.420 -26.976 123 H4* C 12 H4' C 12 2.878 -6.309 -26.624 124 H3* C 12 H3' C 12 5.593 -6.337 -25.202 125 H2* C 12 H2' C 12 5.152 -3.990 -24.726 126 2HO* C 12 2HO' C 12 2.978 -4.266 -26.558 127 H1* C 12 H1' C 12 2.439 -4.359 -24.163 128 1H4 C 12 H41 C 12 5.508 -4.035 -18.587 129 2H4 C 12 H42 C 12 5.391 -5.773 -18.460 130 H5 C 12 H5 C 12 4.404 -7.148 -20.239 131 H6 C 12 H6 C 12 3.541 -7.132 -22.512 132 1H5* U 13 H5' U 13 6.294 -2.820 -26.438 133 2H5* U 13 H5'' U 13 7.971 -2.815 -27.017 134 H4* U 13 H4' U 13 7.607 -1.480 -24.928 135 H3* U 13 H3' U 13 9.494 -3.893 -24.734 136 H2* U 13 H2' U 13 9.952 -3.139 -22.489 137 2HO* U 13 2HO' U 13 9.054 -1.011 -21.860 138 H1* U 13 H1' U 13 7.303 -2.344 -21.920 139 H3 U 13 H3 U 13 9.065 -5.943 -19.400 140 H5 U 13 H5 U 13 6.469 -7.473 -22.349 141 H6 U 13 H6 U 13 6.435 -5.265 -23.357 142 1H5* U 14 H5' U 14 12.342 -0.464 -22.630 143 2H5* U 14 H5'' U 14 11.099 -0.198 -23.861 144 H4* U 14 H4' U 14 14.029 0.445 -24.058 145 H3* U 14 H3' U 14 12.157 2.198 -23.054 146 H2* U 14 H2' U 14 10.730 2.290 -25.003 147 2HO* U 14 2HO' U 14 12.758 4.200 -24.973 148 H1* U 14 H1' U 14 13.149 2.283 -26.837 149 H3 U 14 H3 U 14 10.503 1.724 -30.462 150 H5 U 14 H5 U 14 8.416 -0.399 -27.475 151 H6 U 14 H6 U 14 10.153 0.239 -25.904 152 1H5* C 15 H5' C 15 13.766 5.265 -20.543 153 2H5* C 15 H5'' C 15 14.750 3.853 -20.107 154 H4* C 15 H4' C 15 12.826 4.457 -18.523 155 H3* C 15 H3' C 15 13.816 1.932 -18.910 156 H2* C 15 H2' C 15 12.384 1.515 -20.883 157 2HO* C 15 2HO' C 15 11.119 -0.128 -20.146 158 H1* C 15 H1' C 15 10.096 2.561 -19.139 159 1H4 C 15 H41 C 15 6.998 3.574 -24.684 160 2H4 C 15 H42 C 15 7.415 1.925 -25.096 161 H5 C 15 H5 C 15 8.970 0.586 -23.742 162 H6 C 15 H6 C 15 10.457 0.612 -21.820 163 1H5* G 16 H5' G 16 9.947 0.512 -14.482 164 2H5* G 16 H5'' G 16 9.968 0.497 -16.258 165 H4* G 16 H4' G 16 9.756 3.097 -14.738 166 H3* G 16 H3' G 16 7.482 1.142 -15.332 167 H2* G 16 H2' G 16 6.110 3.028 -15.944 168 2HO* G 16 2HO' G 16 6.516 4.543 -14.429 169 H1* G 16 H1' G 16 8.017 4.388 -17.380 170 H8 G 16 H8 G 16 5.725 3.724 -18.851 171 H1 G 16 H1 G 16 8.643 -1.852 -20.093 172 1H2 G 16 H21 G 16 10.267 -2.202 -18.632 173 2H2 G 16 H22 G 16 10.704 -1.009 -17.429 174 1H5* G 17 H5' G 17 4.201 5.098 -13.325 175 2H5* G 17 H5'' G 17 3.855 3.545 -12.535 176 H4* G 17 H4' G 17 2.597 4.478 -14.828 177 H3* G 17 H3' G 17 2.993 1.567 -13.921 178 H2* G 17 H2' G 17 1.792 0.989 -15.964 179 2HO* G 17 2HO' G 17 0.618 2.482 -17.076 180 H1* G 17 H1' G 17 3.200 2.756 -17.572 181 H8 G 17 H8 G 17 5.052 0.889 -14.729 182 H1 G 17 H1 G 17 5.067 -2.099 -20.393 183 1H2 G 17 H21 G 17 3.751 -1.036 -21.822 184 2H2 G 17 H22 G 17 3.039 0.518 -21.441 185 1H5* A 18 H5' A 18 -0.560 2.132 -15.536 186 2H5* A 18 H5'' A 18 -1.967 1.583 -14.605 187 H4* A 18 H4' A 18 -2.068 0.766 -16.913 188 H3* A 18 H3' A 18 -1.537 -1.416 -14.824 189 H2* A 18 H2' A 18 -1.698 -2.983 -16.649 190 2HO* A 18 2HO' A 18 -2.349 -1.752 -18.789 191 H1* A 18 H1' A 18 -0.409 -1.355 -18.551 192 H8 A 18 H8 A 18 1.658 -1.270 -15.405 193 1H6 A 18 H61 A 18 3.929 -6.775 -17.128 194 2H6 A 18 H62 A 18 4.093 -5.441 -16.008 195 H2 A 18 H2 A 18 0.458 -5.825 -19.778 196 1H5* C 19 H5' C 19 -4.045 -3.162 -17.468 197 2H5* C 19 H5'' C 19 -5.585 -3.420 -16.624 198 H4* C 19 H4' C 19 -5.085 -5.472 -17.711 199 H3* C 19 H3' C 19 -4.279 -5.644 -14.758 200 H2* C 19 H2' C 19 -3.654 -7.927 -15.202 201 2HO* C 19 2HO' C 19 -5.195 -7.570 -17.578 202 H1* C 19 H1' C 19 -2.603 -7.473 -17.767 203 1H4 C 19 H41 C 19 2.389 -7.857 -13.812 204 2H4 C 19 H42 C 19 2.175 -6.191 -13.323 205 H5 C 19 H5 C 19 0.181 -4.887 -13.947 206 H6 C 19 H6 C 19 -1.844 -4.886 -15.305 207 1H5* C 20 H5' C 20 -6.987 -9.368 -15.568 208 2H5* C 20 H5'' C 20 -7.829 -9.449 -14.007 209 H4* C 20 H4' C 20 -6.646 -11.564 -14.630 210 H3* C 20 H3' C 20 -5.722 -10.099 -12.102 211 H2* C 20 H2' C 20 -4.174 -11.903 -11.763 212 2HO* C 20 2HO' C 20 -4.529 -13.903 -12.568 213 H1* C 20 H1' C 20 -3.553 -12.325 -14.470 214 1H4 C 20 H41 C 20 1.349 -9.011 -12.081 215 2H4 C 20 H42 C 20 0.391 -7.550 -11.984 216 H5 C 20 H5 C 20 -2.047 -7.555 -12.368 217 H6 C 20 H6 C 20 -3.933 -8.905 -13.121 218 1H5* G 21 H5' G 21 -7.515 -14.530 -10.657 219 2H5* G 21 H5'' G 21 -7.490 -14.201 -8.912 220 H4* G 21 H4' G 21 -6.080 -16.203 -9.969 221 H3* G 21 H3' G 21 -5.193 -14.348 -7.706 222 H2* G 21 H2' G 21 -3.097 -15.559 -7.673 223 2HO* G 21 2HO' G 21 -2.876 -17.530 -8.752 224 H1* G 21 H1' G 21 -2.753 -15.697 -10.404 225 H8 G 21 H8 G 21 -4.339 -12.360 -9.492 226 H1 G 21 H1 G 21 2.023 -12.528 -8.664 227 1H2 G 21 H21 G 21 2.753 -14.623 -8.816 228 2H2 G 21 H22 G 21 1.702 -15.931 -9.309 229 1H5* G 22 H5' G 22 -4.907 -18.126 -6.109 230 2H5* G 22 H5'' G 22 -5.635 -18.437 -4.519 231 H4* G 22 H4' G 22 -3.271 -18.867 -4.355 232 H3* G 22 H3' G 22 -4.139 -16.265 -3.019 233 H2* G 22 H2' G 22 -1.842 -15.846 -2.432 234 2HO* G 22 2HO' G 22 -1.338 -18.537 -3.261 235 H1* G 22 H1' G 22 -0.699 -16.670 -4.811 236 H8 G 22 H8 G 22 -3.932 -14.851 -5.608 237 H1 G 22 H1 G 22 1.000 -10.936 -4.344 238 1H2 G 22 H21 G 22 2.723 -12.111 -3.580 239 2H2 G 22 H22 G 22 2.601 -13.825 -3.251 240 1H5* C 23 H5' C 23 -2.649 -17.904 0.741 241 2H5* C 23 H5'' C 23 -3.886 -17.376 1.899 242 H4* C 23 H4' C 23 -1.627 -16.265 2.144 243 H3* C 23 H3' C 23 -4.138 -14.587 1.671 244 H2* C 23 H2' C 23 -2.747 -12.614 1.761 245 2HO* C 23 2HO' C 23 -0.606 -14.310 2.593 246 H1* C 23 H1' C 23 -0.645 -13.603 0.275 247 1H4 C 23 H41 C 23 -4.427 -10.566 -3.860 248 2H4 C 23 H42 C 23 -5.404 -12.003 -4.070 249 H5 C 23 H5 C 23 -4.963 -14.083 -2.828 250 H6 C 23 H6 C 23 -3.616 -15.096 -1.062 251 1H5* U 24 H5' U 24 -2.603 -13.050 5.521 252 2H5* U 24 H5'' U 24 -3.954 -12.305 6.400 253 H4* U 24 H4' U 24 -2.062 -10.786 5.410 254 H3* U 24 H3' U 24 -5.057 -10.224 5.124 255 H2* U 24 H2' U 24 -4.477 -8.250 3.884 256 2HO* U 24 2HO' U 24 -2.839 -7.610 5.417 257 H1* U 24 H1' U 24 -2.294 -9.326 2.510 258 H3 U 24 H3 U 24 -5.676 -8.192 -0.415 259 H5 U 24 H5 U 24 -6.561 -12.098 0.918 260 H6 U 24 H6 U 24 -4.788 -11.857 2.563 261 1H5* U 25 H5' U 25 -3.173 -6.282 7.393 262 2H5* U 25 H5'' U 25 -4.681 -5.815 8.207 263 H4* U 25 H4' U 25 -3.470 -4.104 6.625 264 H3* U 25 H3' U 25 -6.475 -4.660 6.659 265 H2* U 25 H2' U 25 -6.729 -3.083 4.852 266 2HO* U 25 2HO' U 25 -4.295 -2.182 5.879 267 H1* U 25 H1' U 25 -4.513 -3.860 3.389 268 H3 U 25 H3 U 25 -8.241 -5.314 1.132 269 H5 U 25 H5 U 25 -7.532 -8.237 4.090 270 H6 U 25 H6 U 25 -5.841 -6.766 5.032 271 1H5* C 26 H5' C 26 -6.688 -1.078 6.242 272 2H5* C 26 H5'' C 26 -7.169 -0.080 7.628 273 H4* C 26 H4' C 26 -8.551 0.656 5.869 274 H3* C 26 H3' C 26 -10.068 -1.379 7.571 275 H2* C 26 H2' C 26 -11.921 -1.180 6.069 276 2HO* C 26 2HO' C 26 -10.776 1.047 4.759 277 H1* C 26 H1' C 26 -10.439 -0.781 3.698 278 1H4 C 26 H41 C 26 -12.589 -6.769 3.484 279 2H4 C 26 H42 C 26 -11.270 -7.315 4.496 280 H5 C 26 H5 C 26 -9.548 -5.771 5.351 281 H6 C 26 H6 C 26 -8.933 -3.421 5.589 282 1H5* C 27 H5' C 27 -13.548 -0.311 10.011 283 2H5* C 27 H5'' C 27 -13.082 -1.575 8.855 284 H4* C 27 H4' C 27 -15.255 0.463 8.289 285 H3* C 27 H3' C 27 -15.459 -2.298 9.567 286 H2* C 27 H2' C 27 -17.501 -2.638 8.358 287 2HO* C 27 2HO' C 27 -17.438 0.134 8.302 288 H1* C 27 H1' C 27 -16.574 -1.626 5.960 289 1H4 C 27 H41 C 27 -15.531 -7.967 6.140 290 2H4 C 27 H42 C 27 -13.819 -7.608 6.162 291 H5 C 27 H5 C 27 -12.961 -5.348 6.628 292 H6 C 27 H6 C 27 -13.584 -3.007 6.911 293 H3T C 27 H3T C 27 -17.437 -0.877 10.269 Start of MODEL 5 1 1H5* G 1 H5' G 1 -20.094 -12.092 -0.296 2 2H5* G 1 H5'' G 1 -19.091 -12.647 -1.652 3 H4* G 1 H4' G 1 -19.260 -10.168 -1.517 4 H3* G 1 H3' G 1 -16.522 -11.474 -1.192 5 H2* G 1 H2' G 1 -15.557 -9.356 -0.744 6 2HO* G 1 2HO' G 1 -17.726 -8.522 -2.310 7 H1* G 1 H1' G 1 -17.759 -8.132 0.514 8 H8 G 1 H8 G 1 -15.211 -11.026 0.861 9 H1 G 1 H1 G 1 -16.296 -7.644 6.209 10 1H2 G 1 H21 G 1 -18.012 -6.264 5.895 11 2H2 G 1 H22 G 1 -18.734 -6.038 4.317 12 H5T G 1 H5T G 1 -18.070 -13.722 -0.189 13 1H5* G 2 H5' G 2 -17.635 -8.327 -4.935 14 2H5* G 2 H5'' G 2 -16.133 -8.027 -5.835 15 H4* G 2 H4' G 2 -17.574 -5.995 -5.025 16 H3* G 2 H3' G 2 -14.544 -6.237 -4.801 17 H2* G 2 H2' G 2 -14.470 -4.165 -3.578 18 2HO* G 2 2HO' G 2 -16.252 -2.761 -3.557 19 H1* G 2 H1' G 2 -16.668 -4.578 -1.974 20 H8 G 2 H8 G 2 -14.958 -7.913 -2.422 21 H1 G 2 H1 G 2 -12.086 -4.138 1.902 22 1H2 G 2 H21 G 2 -12.896 -2.078 1.770 23 2H2 G 2 H22 G 2 -14.223 -1.669 0.705 24 1H5* A 3 H5' A 3 -14.729 -1.960 -6.749 25 2H5* A 3 H5'' A 3 -13.427 -2.247 -7.921 26 H4* A 3 H4' A 3 -13.088 -0.309 -6.297 27 H3* A 3 H3' A 3 -11.025 -2.550 -6.568 28 H2* A 3 H2' A 3 -9.695 -1.444 -4.900 29 2HO* A 3 2HO' A 3 -9.991 0.720 -4.410 30 H1* A 3 H1' A 3 -11.790 -0.602 -3.262 31 H8 A 3 H8 A 3 -12.323 -4.180 -4.475 32 1H6 A 3 H61 A 3 -8.869 -5.893 0.374 33 2H6 A 3 H62 A 3 -9.869 -6.457 -0.945 34 H2 A 3 H2 A 3 -8.628 -1.448 0.018 35 1H5* A 4 H5' A 4 -8.839 1.089 -5.964 36 2H5* A 4 H5'' A 4 -7.727 1.195 -7.344 37 H4* A 4 H4' A 4 -6.484 1.452 -5.268 38 H3* A 4 H3' A 4 -6.012 -1.201 -6.714 39 H2* A 4 H2' A 4 -4.489 -1.809 -4.961 40 2HO* A 4 2HO' A 4 -4.554 0.632 -3.631 41 H1* A 4 H1' A 4 -5.916 -0.676 -2.834 42 H8 A 4 H8 A 4 -7.833 -2.700 -5.530 43 1H6 A 4 H61 A 4 -7.100 -7.501 -1.676 44 2H6 A 4 H62 A 4 -7.894 -6.938 -3.129 45 H2 A 4 H2 A 4 -4.852 -4.024 0.004 46 1H5* G 5 H5' G 5 -1.422 -1.339 -8.080 47 2H5* G 5 H5'' G 5 -1.880 -2.946 -7.483 48 H4* G 5 H4' G 5 -1.052 -0.525 -5.857 49 H3* G 5 H3' G 5 0.697 -2.396 -6.739 50 H2* G 5 H2' G 5 -0.556 -4.365 -6.048 51 2HO* G 5 2HO' G 5 0.368 -4.870 -3.857 52 H1* G 5 H1' G 5 -1.197 -3.225 -3.335 53 H8 G 5 H8 G 5 -3.714 -3.664 -6.191 54 H1 G 5 H1 G 5 -3.642 -8.475 -1.941 55 1H2 G 5 H21 G 5 -1.882 -8.270 -0.598 56 2H2 G 5 H22 G 5 -0.866 -6.846 -0.623 57 1H5* U 6 H5' U 6 1.169 -1.205 -2.690 58 2H5* U 6 H5'' U 6 2.167 -0.109 -1.712 59 H4* U 6 H4' U 6 4.159 -1.561 -2.409 60 H3* U 6 H3' U 6 2.392 -2.963 -4.058 61 H2* U 6 H2' U 6 1.077 -4.021 -2.367 62 2HO* U 6 2HO' U 6 2.792 -5.878 -1.639 63 H1* U 6 H1' U 6 3.402 -4.336 -0.477 64 H3 U 6 H3 U 6 0.524 -5.364 2.852 65 H5 U 6 H5 U 6 -1.619 -2.482 0.638 66 H6 U 6 H6 U 6 0.260 -2.366 -0.890 67 1H5* C 7 H5' C 7 7.155 -4.779 -5.059 68 2H5* C 7 H5'' C 7 5.425 -4.993 -4.724 69 H4* C 7 H4' C 7 7.616 -6.858 -3.745 70 H3* C 7 H3' C 7 5.854 -7.007 -6.231 71 H2* C 7 H2' C 7 5.540 -9.353 -5.839 72 2HO* C 7 2HO' C 7 6.957 -10.534 -4.619 73 H1* C 7 H1' C 7 5.339 -9.262 -3.070 74 1H4 C 7 H41 C 7 -0.562 -9.377 -5.529 75 2H4 C 7 H42 C 7 -0.680 -7.652 -5.255 76 H5 C 7 H5 C 7 1.280 -6.281 -4.657 77 H6 C 7 H6 C 7 3.636 -6.349 -4.068 78 1H5* C 8 H5' C 8 9.147 -10.746 -5.895 79 2H5* C 8 H5'' C 8 9.725 -10.459 -7.550 80 H4* C 8 H4' C 8 9.250 -12.871 -7.008 81 H3* C 8 H3' C 8 7.784 -11.487 -9.299 82 H2* C 8 H2' C 8 6.547 -13.513 -9.693 83 2HO* C 8 2HO' C 8 8.556 -14.681 -8.037 84 H1* C 8 H1' C 8 6.087 -14.199 -7.060 85 1H4 C 8 H41 C 8 0.928 -10.813 -8.649 86 2H4 C 8 H42 C 8 1.835 -9.318 -8.651 87 H5 C 8 H5 C 8 4.239 -9.240 -8.116 88 H6 C 8 H6 C 8 6.223 -10.597 -7.690 89 1H5* G 9 H5' G 9 8.999 -15.601 -10.735 90 2H5* G 9 H5'' G 9 9.850 -15.233 -12.249 91 H4* G 9 H4' G 9 8.175 -16.991 -12.591 92 H3* G 9 H3' G 9 7.629 -14.306 -13.940 93 H2* G 9 H2' G 9 5.571 -15.208 -14.805 94 2HO* G 9 2HO' G 9 6.634 -17.253 -15.365 95 H1* G 9 H1' G 9 4.780 -16.573 -12.542 96 H8 G 9 H8 G 9 6.503 -13.156 -11.981 97 H1 G 9 H1 G 9 0.112 -12.935 -12.564 98 1H2 G 9 H21 G 9 -0.662 -14.922 -13.184 99 2H2 G 9 H22 G 9 0.380 -16.321 -13.315 100 1H5* G 10 H5' G 10 6.584 -17.423 -17.258 101 2H5* G 10 H5'' G 10 7.606 -16.712 -18.522 102 H4* G 10 H4' G 10 5.320 -16.990 -19.336 103 H3* G 10 H3' G 10 6.203 -14.097 -18.879 104 H2* G 10 H2' G 10 4.029 -13.399 -19.667 105 2HO* G 10 2HO' G 10 3.642 -16.129 -20.424 106 H1* G 10 H1' G 10 2.554 -15.287 -18.312 107 H8 G 10 H8 G 10 5.702 -13.759 -16.617 108 H1 G 10 H1 G 10 0.150 -10.828 -15.280 109 1H2 G 10 H21 G 10 -1.478 -11.685 -16.525 110 2H2 G 10 H22 G 10 -1.228 -13.101 -17.522 111 1H5* U 11 H5' U 11 4.950 -14.309 -23.367 112 2H5* U 11 H5'' U 11 6.305 -13.459 -24.138 113 H4* U 11 H4' U 11 4.142 -12.558 -24.882 114 H3* U 11 H3' U 11 5.837 -10.674 -23.158 115 H2* U 11 H2' U 11 4.132 -9.020 -23.515 116 2HO* U 11 2HO' U 11 2.613 -10.704 -25.166 117 H1* U 11 H1' U 11 1.983 -10.673 -23.070 118 H3 U 11 H3 U 11 2.280 -8.198 -19.234 119 H5 U 11 H5 U 11 5.277 -11.142 -18.840 120 H6 U 11 H6 U 11 4.836 -11.791 -21.140 121 1H5* C 12 H5' C 12 3.548 -8.217 -25.773 122 2H5* C 12 H5'' C 12 4.788 -7.728 -26.941 123 H4* C 12 H4' C 12 3.585 -5.753 -26.406 124 H3* C 12 H3' C 12 6.160 -5.829 -24.742 125 H2* C 12 H2' C 12 5.518 -3.597 -24.014 126 2HO* C 12 2HO' C 12 3.443 -3.715 -25.967 127 H1* C 12 H1' C 12 2.808 -4.198 -23.739 128 1H4 C 12 H41 C 12 5.651 -4.524 -18.007 129 2H4 C 12 H42 C 12 5.334 -6.244 -18.032 130 H5 C 12 H5 C 12 4.664 -7.418 -20.090 131 H6 C 12 H6 C 12 3.937 -7.121 -22.396 132 1H5* U 13 H5' U 13 6.690 -2.113 -25.381 133 2H5* U 13 H5'' U 13 8.398 -1.933 -25.823 134 H4* U 13 H4' U 13 7.824 -0.922 -23.612 135 H3* U 13 H3' U 13 9.808 -3.263 -23.593 136 H2* U 13 H2' U 13 10.072 -2.795 -21.241 137 2HO* U 13 2HO' U 13 8.569 -0.692 -20.764 138 H1* U 13 H1' U 13 7.356 -2.221 -20.764 139 H3 U 13 H3 U 13 9.163 -6.084 -18.691 140 H5 U 13 H5 U 13 6.917 -7.274 -22.054 141 H6 U 13 H6 U 13 6.791 -4.939 -22.706 142 1H5* U 14 H5' U 14 12.036 -0.347 -20.570 143 2H5* U 14 H5'' U 14 11.052 0.217 -21.929 144 H4* U 14 H4' U 14 13.954 0.817 -21.414 145 H3* U 14 H3' U 14 11.893 2.322 -20.372 146 H2* U 14 H2' U 14 10.859 2.937 -22.469 147 2HO* U 14 2HO' U 14 12.112 4.976 -23.105 148 H1* U 14 H1' U 14 13.582 3.294 -23.764 149 H3 U 14 H3 U 14 11.660 3.761 -27.831 150 H5 U 14 H5 U 14 9.096 1.011 -25.921 151 H6 U 14 H6 U 14 10.497 1.183 -23.945 152 1H5* C 15 H5' C 15 12.926 4.623 -17.006 153 2H5* C 15 H5'' C 15 13.828 3.145 -16.610 154 H4* C 15 H4' C 15 11.618 3.428 -15.401 155 H3* C 15 H3' C 15 12.658 1.005 -16.148 156 H2* C 15 H2' C 15 11.686 1.140 -18.419 157 2HO* C 15 2HO' C 15 11.099 -0.870 -17.844 158 H1* C 15 H1' C 15 9.082 1.843 -16.972 159 1H4 C 15 H41 C 15 7.127 4.189 -22.630 160 2H4 C 15 H42 C 15 7.586 2.640 -23.300 161 H5 C 15 H5 C 15 8.923 1.009 -22.038 162 H6 C 15 H6 C 15 10.010 0.553 -19.916 163 1H5* G 16 H5' G 16 8.173 -0.243 -13.046 164 2H5* G 16 H5'' G 16 8.879 0.309 -14.579 165 H4* G 16 H4' G 16 7.987 2.509 -12.828 166 H3* G 16 H3' G 16 5.943 0.454 -13.803 167 H2* G 16 H2' G 16 4.510 2.275 -14.467 168 2HO* G 16 2HO' G 16 4.521 3.886 -13.084 169 H1* G 16 H1' G 16 6.455 3.873 -15.572 170 H8 G 16 H8 G 16 4.474 3.197 -17.399 171 H1 G 16 H1 G 16 7.774 -2.196 -18.473 172 1H2 G 16 H21 G 16 9.236 -2.534 -16.842 173 2H2 G 16 H22 G 16 9.317 -1.486 -15.442 174 1H5* G 17 H5' G 17 2.131 3.994 -11.958 175 2H5* G 17 H5'' G 17 1.830 2.357 -11.340 176 H4* G 17 H4' G 17 0.778 3.386 -13.694 177 H3* G 17 H3' G 17 1.315 0.443 -12.981 178 H2* G 17 H2' G 17 0.407 -0.033 -15.196 179 2HO* G 17 2HO' G 17 -0.055 2.473 -16.089 180 H1* G 17 H1' G 17 1.861 1.945 -16.471 181 H8 G 17 H8 G 17 3.512 0.042 -13.542 182 H1 G 17 H1 G 17 4.342 -2.650 -19.285 183 1H2 G 17 H21 G 17 3.270 -1.487 -20.841 184 2H2 G 17 H22 G 17 2.204 -0.161 -20.430 185 1H5* A 18 H5' A 18 -2.877 0.640 -14.736 186 2H5* A 18 H5'' A 18 -3.646 -0.815 -14.071 187 H4* A 18 H4' A 18 -3.222 -0.518 -16.698 188 H3* A 18 H3' A 18 -2.872 -3.132 -15.130 189 H2* A 18 H2' A 18 -2.380 -4.139 -17.268 190 2HO* A 18 2HO' A 18 -2.672 -2.508 -19.153 191 H1* A 18 H1' A 18 -0.916 -1.960 -18.274 192 H8 A 18 H8 A 18 0.553 -2.337 -14.926 193 1H6 A 18 H61 A 18 3.399 -7.474 -16.908 194 2H6 A 18 H62 A 18 3.415 -6.202 -15.707 195 H2 A 18 H2 A 18 0.316 -6.349 -19.942 196 1H5* C 19 H5' C 19 -4.534 -4.634 -18.080 197 2H5* C 19 H5'' C 19 -6.225 -5.067 -17.758 198 H4* C 19 H4' C 19 -5.491 -7.051 -18.684 199 H3* C 19 H3' C 19 -4.657 -7.322 -15.740 200 H2* C 19 H2' C 19 -3.803 -9.494 -16.368 201 2HO* C 19 2HO' C 19 -4.961 -10.580 -17.761 202 H1* C 19 H1' C 19 -2.774 -8.694 -18.840 203 1H4 C 19 H41 C 19 2.131 -8.812 -14.767 204 2H4 C 19 H42 C 19 1.719 -7.222 -14.169 205 H5 C 19 H5 C 19 -0.375 -6.084 -14.795 206 H6 C 19 H6 C 19 -2.359 -6.214 -16.209 207 1H5* C 20 H5' C 20 -7.958 -10.886 -15.934 208 2H5* C 20 H5'' C 20 -8.302 -10.879 -14.192 209 H4* C 20 H4' C 20 -7.351 -13.046 -15.290 210 H3* C 20 H3' C 20 -6.218 -11.830 -12.713 211 H2* C 20 H2' C 20 -4.714 -13.729 -12.648 212 2HO* C 20 2HO' C 20 -5.100 -15.339 -14.482 213 H1* C 20 H1' C 20 -4.091 -13.711 -15.340 214 1H4 C 20 H41 C 20 0.427 -10.284 -12.424 215 2H4 C 20 H42 C 20 -0.567 -8.846 -12.504 216 H5 C 20 H5 C 20 -2.833 -8.868 -13.471 217 H6 C 20 H6 C 20 -4.596 -10.299 -14.364 218 1H5* G 21 H5' G 21 -8.121 -15.816 -10.757 219 2H5* G 21 H5'' G 21 -8.150 -15.185 -9.097 220 H4* G 21 H4' G 21 -6.603 -17.232 -9.725 221 H3* G 21 H3' G 21 -5.776 -14.877 -7.959 222 H2* G 21 H2' G 21 -3.630 -15.986 -7.715 223 2HO* G 21 2HO' G 21 -3.719 -18.186 -9.056 224 H1* G 21 H1' G 21 -3.346 -16.704 -10.362 225 H8 G 21 H8 G 21 -4.974 -13.308 -10.381 226 H1 G 21 H1 G 21 1.310 -13.082 -9.091 227 1H2 G 21 H21 G 21 2.068 -15.121 -8.642 228 2H2 G 21 H22 G 21 1.057 -16.541 -8.808 229 1H5* G 22 H5' G 22 -6.092 -18.151 -4.502 230 2H5* G 22 H5'' G 22 -6.402 -17.044 -3.148 231 H4* G 22 H4' G 22 -4.144 -18.367 -3.241 232 H3* G 22 H3' G 22 -4.424 -15.398 -2.587 233 H2* G 22 H2' G 22 -2.022 -15.252 -2.430 234 2HO* G 22 2HO' G 22 -1.993 -18.107 -2.596 235 H1* G 22 H1' G 22 -1.419 -16.812 -4.626 236 H8 G 22 H8 G 22 -4.410 -14.926 -5.786 237 H1 G 22 H1 G 22 0.808 -11.203 -5.367 238 1H2 G 22 H21 G 22 2.436 -12.298 -4.316 239 2H2 G 22 H22 G 22 2.159 -13.847 -3.552 240 1H5* C 23 H5' C 23 -2.183 -16.336 0.057 241 2H5* C 23 H5'' C 23 -2.533 -16.255 1.795 242 H4* C 23 H4' C 23 -0.674 -14.837 1.506 243 H3* C 23 H3' C 23 -3.243 -13.181 1.537 244 H2* C 23 H2' C 23 -1.899 -11.207 1.182 245 2HO* C 23 2HO' C 23 0.078 -12.901 2.204 246 H1* C 23 H1' C 23 -0.208 -12.273 -0.712 247 1H4 C 23 H41 C 23 -4.977 -9.591 -3.983 248 2H4 C 23 H42 C 23 -5.943 -11.040 -3.827 249 H5 C 23 H5 C 23 -5.162 -13.012 -2.576 250 H6 C 23 H6 C 23 -3.395 -13.875 -1.131 251 1H5* U 24 H5' U 24 -1.223 -11.443 5.325 252 2H5* U 24 H5'' U 24 -2.627 -10.790 6.196 253 H4* U 24 H4' U 24 -0.848 -9.162 5.123 254 H3* U 24 H3' U 24 -3.884 -8.807 4.973 255 H2* U 24 H2' U 24 -3.489 -6.800 3.703 256 2HO* U 24 2HO' U 24 -0.896 -6.479 3.603 257 H1* U 24 H1' U 24 -1.359 -7.763 2.193 258 H3 U 24 H3 U 24 -5.012 -6.976 -0.506 259 H5 U 24 H5 U 24 -5.526 -10.881 1.010 260 H6 U 24 H6 U 24 -3.653 -10.465 2.505 261 1H5* U 25 H5' U 25 -2.298 -4.736 7.204 262 2H5* U 25 H5'' U 25 -3.767 -4.505 8.174 263 H4* U 25 H4' U 25 -2.980 -2.569 6.638 264 H3* U 25 H3' U 25 -5.853 -3.616 6.698 265 H2* U 25 H2' U 25 -6.404 -1.957 5.033 266 2HO* U 25 2HO' U 25 -5.251 -0.144 4.818 267 H1* U 25 H1' U 25 -4.135 -2.275 3.480 268 H3 U 25 H3 U 25 -7.688 -4.058 1.176 269 H5 U 25 H5 U 25 -6.465 -7.091 3.841 270 H6 U 25 H6 U 25 -4.975 -5.473 4.879 271 1H5* C 26 H5' C 26 -6.855 0.694 7.348 272 2H5* C 26 H5'' C 26 -8.165 0.530 8.535 273 H4* C 26 H4' C 26 -8.751 1.558 6.250 274 H3* C 26 H3' C 26 -10.308 -0.800 7.424 275 H2* C 26 H2' C 26 -11.695 -0.758 5.468 276 2HO* C 26 2HO' C 26 -10.708 1.894 5.301 277 H1* C 26 H1' C 26 -9.685 -0.047 3.624 278 1H4 C 26 H41 C 26 -10.692 -6.289 2.847 279 2H4 C 26 H42 C 26 -9.697 -6.663 4.236 280 H5 C 26 H5 C 26 -8.627 -4.909 5.596 281 H6 C 26 H6 C 26 -8.478 -2.501 5.969 282 1H5* C 27 H5' C 27 -13.627 0.503 5.853 283 2H5* C 27 H5'' C 27 -14.225 1.581 7.130 284 H4* C 27 H4' C 27 -16.164 0.402 6.762 285 H3* C 27 H3' C 27 -14.577 -1.518 8.534 286 H2* C 27 H2' C 27 -16.430 -3.018 8.368 287 2HO* C 27 2HO' C 27 -17.845 -0.863 8.415 288 H1* C 27 H1' C 27 -16.954 -2.481 5.662 289 1H4 C 27 H41 C 27 -13.677 -7.960 6.120 290 2H4 C 27 H42 C 27 -12.239 -7.100 5.618 291 H5 C 27 H5 C 27 -12.160 -4.643 5.466 292 H6 C 27 H6 C 27 -13.475 -2.597 5.664 293 H3T C 27 H3T C 27 -15.581 0.585 9.242 Start of MODEL 6 1 1H5* G 1 H5' G 1 -23.311 -9.030 1.024 2 2H5* G 1 H5'' G 1 -22.696 -9.909 -0.392 3 H4* G 1 H4' G 1 -21.916 -7.579 -0.387 4 H3* G 1 H3' G 1 -19.808 -9.747 0.005 5 H2* G 1 H2' G 1 -18.141 -8.080 0.323 6 2HO* G 1 2HO' G 1 -19.791 -6.758 -1.421 7 H1* G 1 H1' G 1 -19.729 -6.113 1.549 8 H8 G 1 H8 G 1 -18.376 -9.711 1.984 9 H1 G 1 H1 G 1 -18.143 -6.034 7.243 10 1H2 G 1 H21 G 1 -19.252 -4.141 6.892 11 2H2 G 1 H22 G 1 -19.873 -3.715 5.313 12 H5T G 1 H5T G 1 -22.488 -11.133 1.506 13 1H5* G 2 H5' G 2 -19.926 -6.647 -3.822 14 2H5* G 2 H5'' G 2 -18.525 -6.933 -4.875 15 H4* G 2 H4' G 2 -19.056 -4.495 -4.143 16 H3* G 2 H3' G 2 -16.302 -5.794 -4.056 17 H2* G 2 H2' G 2 -15.399 -3.837 -2.991 18 2HO* G 2 2HO' G 2 -16.492 -1.874 -3.029 19 H1* G 2 H1' G 2 -17.482 -3.327 -1.259 20 H8 G 2 H8 G 2 -17.153 -7.068 -1.477 21 H1 G 2 H1 G 2 -12.696 -4.359 2.263 22 1H2 G 2 H21 G 2 -12.782 -2.148 2.062 23 2H2 G 2 H22 G 2 -13.787 -1.370 0.859 24 1H5* A 3 H5' A 3 -15.722 -2.118 -5.017 25 2H5* A 3 H5'' A 3 -14.965 -1.763 -6.583 26 H4* A 3 H4' A 3 -13.691 -0.532 -5.035 27 H3* A 3 H3' A 3 -12.292 -3.190 -5.608 28 H2* A 3 H2' A 3 -10.585 -2.557 -4.041 29 2HO* A 3 2HO' A 3 -10.805 -0.242 -3.207 30 H1* A 3 H1' A 3 -12.246 -1.330 -2.168 31 H8 A 3 H8 A 3 -13.365 -4.689 -3.760 32 1H6 A 3 H61 A 3 -10.721 -7.302 1.194 33 2H6 A 3 H62 A 3 -11.782 -7.570 -0.171 34 H2 A 3 H2 A 3 -9.922 -2.908 1.367 35 1H5* A 4 H5' A 4 -9.581 0.422 -5.328 36 2H5* A 4 H5'' A 4 -8.201 0.109 -6.399 37 H4* A 4 H4' A 4 -7.755 0.579 -3.878 38 H3* A 4 H3' A 4 -6.504 -1.717 -5.455 39 H2* A 4 H2' A 4 -5.408 -2.448 -3.446 40 2HO* A 4 2HO' A 4 -4.614 -0.489 -2.724 41 H1* A 4 H1' A 4 -7.491 -1.929 -1.669 42 H8 A 4 H8 A 4 -8.663 -3.488 -4.973 43 1H6 A 4 H61 A 4 -7.699 -8.946 -2.197 44 2H6 A 4 H62 A 4 -8.241 -8.163 -3.664 45 H2 A 4 H2 A 4 -6.070 -5.743 0.455 46 1H5* G 5 H5' G 5 -1.535 0.193 -3.741 47 2H5* G 5 H5'' G 5 -1.615 -1.300 -4.696 48 H4* G 5 H4' G 5 -1.674 -0.962 -1.697 49 H3* G 5 H3' G 5 0.468 -1.722 -3.309 50 H2* G 5 H2' G 5 -0.608 -3.741 -4.172 51 2HO* G 5 2HO' G 5 1.349 -4.099 -2.668 52 H1* G 5 H1' G 5 -1.671 -4.252 -1.357 53 H8 G 5 H8 G 5 -3.806 -3.807 -4.500 54 H1 G 5 H1 G 5 -2.965 -9.914 -2.705 55 1H2 G 5 H21 G 5 -1.394 -10.031 -1.137 56 2H2 G 5 H22 G 5 -0.709 -8.594 -0.410 57 1H5* U 6 H5' U 6 2.675 -1.573 2.339 58 2H5* U 6 H5'' U 6 3.246 -1.316 0.678 59 H4* U 6 H4' U 6 3.826 -3.563 1.505 60 H3* U 6 H3' U 6 2.500 -3.144 -1.009 61 H2* U 6 H2' U 6 0.478 -4.289 -0.414 62 2HO* U 6 2HO' U 6 0.687 -6.235 -1.302 63 H1* U 6 H1' U 6 2.052 -6.075 1.491 64 H3 U 6 H3 U 6 -1.800 -7.921 3.016 65 H5 U 6 H5 U 6 -2.901 -3.911 2.304 66 H6 U 6 H6 U 6 -0.644 -3.511 1.494 67 1H5* C 7 H5' C 7 7.537 -4.860 -1.834 68 2H5* C 7 H5'' C 7 7.119 -4.882 -3.560 69 H4* C 7 H4' C 7 7.519 -7.130 -1.905 70 H3* C 7 H3' C 7 6.209 -6.840 -4.656 71 H2* C 7 H2' C 7 5.463 -9.108 -4.468 72 2HO* C 7 2HO' C 7 7.803 -9.402 -3.338 73 H1* C 7 H1' C 7 5.002 -9.114 -1.687 74 1H4 C 7 H41 C 7 -0.623 -8.821 -4.700 75 2H4 C 7 H42 C 7 -0.633 -7.084 -4.483 76 H5 C 7 H5 C 7 1.252 -5.879 -3.449 77 H6 C 7 H6 C 7 3.532 -6.105 -2.612 78 1H5* C 8 H5' C 8 9.546 -10.110 -4.802 79 2H5* C 8 H5'' C 8 10.407 -9.822 -6.327 80 H4* C 8 H4' C 8 9.812 -12.203 -6.035 81 H3* C 8 H3' C 8 8.496 -10.679 -8.329 82 H2* C 8 H2' C 8 7.274 -12.674 -8.907 83 2HO* C 8 2HO' C 8 8.624 -14.342 -8.797 84 H1* C 8 H1' C 8 6.639 -13.479 -6.350 85 1H4 C 8 H41 C 8 1.671 -10.000 -8.304 86 2H4 C 8 H42 C 8 2.472 -8.521 -7.824 87 H5 C 8 H5 C 8 4.727 -8.515 -6.830 88 H6 C 8 H6 C 8 6.680 -9.891 -6.335 89 1H5* G 9 H5' G 9 10.528 -14.174 -10.140 90 2H5* G 9 H5'' G 9 10.841 -13.882 -11.863 91 H4* G 9 H4' G 9 9.094 -15.690 -11.199 92 H3* G 9 H3' G 9 8.607 -13.522 -13.296 93 H2* G 9 H2' G 9 6.382 -14.376 -13.593 94 2HO* G 9 2HO' G 9 7.054 -16.631 -11.990 95 H1* G 9 H1' G 9 5.856 -14.988 -10.921 96 H8 G 9 H8 G 9 7.540 -11.628 -10.957 97 H1 G 9 H1 G 9 1.383 -11.385 -12.760 98 1H2 G 9 H21 G 9 0.617 -13.438 -13.125 99 2H2 G 9 H22 G 9 1.623 -14.854 -12.916 100 1H5* G 10 H5' G 10 7.361 -16.679 -15.258 101 2H5* G 10 H5'' G 10 8.111 -16.968 -16.841 102 H4* G 10 H4' G 10 5.758 -16.726 -17.211 103 H3* G 10 H3' G 10 7.337 -14.236 -18.006 104 H2* G 10 H2' G 10 5.290 -13.128 -18.542 105 2HO* G 10 2HO' G 10 3.333 -14.471 -18.768 106 H1* G 10 H1' G 10 3.653 -14.340 -16.588 107 H8 G 10 H8 G 10 7.003 -12.937 -15.339 108 H1 G 10 H1 G 10 2.166 -8.717 -15.423 109 1H2 G 10 H21 G 10 0.441 -9.561 -16.538 110 2H2 G 10 H22 G 10 0.415 -11.228 -17.069 111 1H5* U 11 H5' U 11 3.763 -14.377 -20.746 112 2H5* U 11 H5'' U 11 4.630 -14.705 -22.262 113 H4* U 11 H4' U 11 3.297 -12.859 -22.805 114 H3* U 11 H3' U 11 6.072 -11.892 -22.000 115 H2* U 11 H2' U 11 5.334 -9.662 -22.039 116 2HO* U 11 2HO' U 11 3.890 -8.958 -23.506 117 H1* U 11 H1' U 11 2.614 -10.049 -21.431 118 H3 U 11 H3 U 11 3.454 -7.473 -17.825 119 H5 U 11 H5 U 11 6.788 -10.055 -17.905 120 H6 U 11 H6 U 11 5.804 -11.155 -19.825 121 1H5* C 12 H5' C 12 4.217 -10.107 -26.427 122 2H5* C 12 H5'' C 12 5.773 -9.538 -27.065 123 H4* C 12 H4' C 12 3.729 -7.909 -27.059 124 H3* C 12 H3' C 12 6.511 -7.150 -26.042 125 H2* C 12 H2' C 12 5.610 -4.921 -25.639 126 2HO* C 12 2HO' C 12 4.172 -4.234 -27.021 127 H1* C 12 H1' C 12 3.226 -5.774 -24.553 128 1H4 C 12 H41 C 12 6.952 -4.853 -19.505 129 2H4 C 12 H42 C 12 7.550 -6.492 -19.620 130 H5 C 12 H5 C 12 6.873 -8.015 -21.433 131 H6 C 12 H6 C 12 5.640 -8.164 -23.551 132 1H5* U 13 H5' U 13 6.107 -3.525 -27.443 133 2H5* U 13 H5'' U 13 7.618 -3.252 -28.332 134 H4* U 13 H4' U 13 7.315 -1.846 -26.246 135 H3* U 13 H3' U 13 9.751 -3.691 -26.483 136 H2* U 13 H2' U 13 10.495 -2.763 -24.385 137 2HO* U 13 2HO' U 13 8.479 -0.956 -23.979 138 H1* U 13 H1' U 13 7.974 -2.707 -23.168 139 H3 U 13 H3 U 13 11.167 -5.850 -21.541 140 H5 U 13 H5 U 13 8.282 -7.872 -23.856 141 H6 U 13 H6 U 13 7.446 -5.706 -24.571 142 1H5* U 14 H5' U 14 12.084 0.188 -24.811 143 2H5* U 14 H5'' U 14 10.622 0.287 -25.801 144 H4* U 14 H4' U 14 13.332 1.415 -26.459 145 H3* U 14 H3' U 14 11.468 2.783 -24.963 146 H2* U 14 H2' U 14 9.679 2.748 -26.601 147 2HO* U 14 2HO' U 14 11.283 4.891 -27.573 148 H1* U 14 H1' U 14 11.670 3.261 -28.836 149 H3 U 14 H3 U 14 8.468 2.568 -31.952 150 H5 U 14 H5 U 14 7.347 -0.101 -28.884 151 H6 U 14 H6 U 14 9.243 0.697 -27.594 152 1H5* C 15 H5' C 15 12.778 5.794 -23.083 153 2H5* C 15 H5'' C 15 14.184 4.959 -22.391 154 H4* C 15 H4' C 15 12.432 5.163 -20.706 155 H3* C 15 H3' C 15 13.646 2.735 -21.054 156 H2* C 15 H2' C 15 12.063 2.073 -22.842 157 2HO* C 15 2HO' C 15 12.202 0.350 -21.414 158 H1* C 15 H1' C 15 9.912 2.926 -20.834 159 1H4 C 15 H41 C 15 5.739 3.090 -25.662 160 2H4 C 15 H42 C 15 6.451 1.603 -26.250 161 H5 C 15 H5 C 15 8.460 0.622 -25.237 162 H6 C 15 H6 C 15 10.241 0.967 -23.626 163 1H5* G 16 H5' G 16 10.413 1.460 -16.033 164 2H5* G 16 H5'' G 16 10.377 0.942 -17.731 165 H4* G 16 H4' G 16 9.945 3.842 -17.039 166 H3* G 16 H3' G 16 7.843 1.620 -16.821 167 H2* G 16 H2' G 16 6.263 3.215 -17.735 168 2HO* G 16 2HO' G 16 7.763 4.951 -16.490 169 H1* G 16 H1' G 16 7.911 4.128 -19.737 170 H8 G 16 H8 G 16 5.294 2.741 -20.073 171 H1 G 16 H1 G 16 9.001 -2.386 -21.111 172 1H2 G 16 H21 G 16 11.030 -2.041 -20.305 173 2H2 G 16 H22 G 16 11.501 -0.509 -19.602 174 1H5* G 17 H5' G 17 6.263 4.354 -15.465 175 2H5* G 17 H5'' G 17 5.101 4.697 -14.171 176 H4* G 17 H4' G 17 3.719 4.241 -15.999 177 H3* G 17 H3' G 17 4.095 1.587 -14.511 178 H2* G 17 H2' G 17 2.575 0.639 -16.141 179 2HO* G 17 2HO' G 17 1.033 1.859 -16.929 180 H1* G 17 H1' G 17 3.659 1.944 -18.345 181 H8 G 17 H8 G 17 5.957 0.588 -15.536 182 H1 G 17 H1 G 17 5.064 -3.390 -20.489 183 1H2 G 17 H21 G 17 3.658 -2.486 -21.946 184 2H2 G 17 H22 G 17 2.788 -1.008 -21.594 185 1H5* A 18 H5' A 18 -0.324 2.196 -14.884 186 2H5* A 18 H5'' A 18 -1.061 0.953 -13.853 187 H4* A 18 H4' A 18 -1.122 0.775 -16.519 188 H3* A 18 H3' A 18 -0.655 -1.554 -14.577 189 H2* A 18 H2' A 18 -0.570 -2.966 -16.532 190 2HO* A 18 2HO' A 18 -1.154 -1.916 -18.624 191 H1* A 18 H1' A 18 0.820 -1.162 -18.154 192 H8 A 18 H8 A 18 2.434 -1.215 -14.734 193 1H6 A 18 H61 A 18 5.430 -6.306 -16.602 194 2H6 A 18 H62 A 18 5.266 -5.126 -15.322 195 H2 A 18 H2 A 18 2.287 -5.370 -19.637 196 1H5* C 19 H5' C 19 -4.069 -2.809 -16.900 197 2H5* C 19 H5'' C 19 -5.152 -3.778 -15.882 198 H4* C 19 H4' C 19 -4.210 -5.033 -17.827 199 H3* C 19 H3' C 19 -3.473 -6.011 -15.017 200 H2* C 19 H2' C 19 -2.313 -7.823 -16.102 201 2HO* C 19 2HO' C 19 -3.242 -7.127 -18.657 202 H1* C 19 H1' C 19 -1.338 -6.333 -18.261 203 1H4 C 19 H41 C 19 3.514 -6.970 -14.167 204 2H4 C 19 H42 C 19 2.932 -5.622 -13.214 205 H5 C 19 H5 C 19 0.702 -4.627 -13.578 206 H6 C 19 H6 C 19 -1.241 -4.603 -15.053 207 1H5* C 20 H5' C 20 -6.257 -9.425 -16.492 208 2H5* C 20 H5'' C 20 -7.251 -9.763 -15.062 209 H4* C 20 H4' C 20 -6.062 -11.774 -15.884 210 H3* C 20 H3' C 20 -5.268 -10.724 -13.122 211 H2* C 20 H2' C 20 -3.749 -12.599 -12.962 212 2HO* C 20 2HO' C 20 -5.117 -13.564 -15.279 213 H1* C 20 H1' C 20 -2.784 -12.456 -15.549 214 1H4 C 20 H41 C 20 1.240 -9.106 -11.902 215 2H4 C 20 H42 C 20 0.303 -7.653 -12.173 216 H5 C 20 H5 C 20 -1.835 -7.672 -13.389 217 H6 C 20 H6 C 20 -3.451 -9.087 -14.545 218 1H5* G 21 H5' G 21 -6.854 -14.991 -12.006 219 2H5* G 21 H5'' G 21 -7.195 -14.733 -10.283 220 H4* G 21 H4' G 21 -5.293 -16.396 -11.008 221 H3* G 21 H3' G 21 -5.031 -14.313 -8.782 222 H2* G 21 H2' G 21 -2.783 -15.116 -8.442 223 2HO* G 21 2HO' G 21 -2.863 -17.266 -8.428 224 H1* G 21 H1' G 21 -2.164 -15.556 -11.129 225 H8 G 21 H8 G 21 -3.948 -12.230 -10.674 226 H1 G 21 H1 G 21 2.322 -12.031 -9.311 227 1H2 G 21 H21 G 21 3.134 -14.096 -9.175 228 2H2 G 21 H22 G 21 2.178 -15.492 -9.617 229 1H5* G 22 H5' G 22 -4.801 -18.250 -6.872 230 2H5* G 22 H5'' G 22 -5.693 -18.377 -5.342 231 H4* G 22 H4' G 22 -3.293 -18.837 -5.032 232 H3* G 22 H3' G 22 -4.416 -16.326 -3.711 233 H2* G 22 H2' G 22 -2.210 -15.832 -2.873 234 2HO* G 22 2HO' G 22 -2.043 -18.476 -2.830 235 H1* G 22 H1' G 22 -0.794 -16.508 -5.146 236 H8 G 22 H8 G 22 -3.891 -14.841 -6.435 237 H1 G 22 H1 G 22 0.322 -10.685 -3.938 238 1H2 G 22 H21 G 22 1.933 -11.790 -2.874 239 2H2 G 22 H22 G 22 1.850 -13.518 -2.616 240 1H5* C 23 H5' C 23 -2.953 -18.140 -0.272 241 2H5* C 23 H5'' C 23 -4.152 -18.122 1.036 242 H4* C 23 H4' C 23 -2.209 -16.748 1.619 243 H3* C 23 H3' C 23 -4.820 -15.238 1.124 244 H2* C 23 H2' C 23 -3.642 -13.184 1.605 245 2HO* C 23 2HO' C 23 -1.692 -13.179 2.670 246 H1* C 23 H1' C 23 -1.337 -13.770 0.211 247 1H4 C 23 H41 C 23 -5.034 -10.576 -3.879 248 2H4 C 23 H42 C 23 -5.902 -12.036 -4.299 249 H5 C 23 H5 C 23 -5.359 -14.218 -3.285 250 H6 C 23 H6 C 23 -4.065 -15.327 -1.538 251 1H5* U 24 H5' U 24 -3.662 -14.127 5.220 252 2H5* U 24 H5'' U 24 -5.100 -13.607 6.122 253 H4* U 24 H4' U 24 -3.284 -11.840 5.472 254 H3* U 24 H3' U 24 -6.294 -11.450 5.105 255 H2* U 24 H2' U 24 -5.841 -9.311 4.132 256 2HO* U 24 2HO' U 24 -3.701 -8.372 4.419 257 H1* U 24 H1' U 24 -3.413 -9.988 2.863 258 H3 U 24 H3 U 24 -6.452 -8.620 -0.306 259 H5 U 24 H5 U 24 -7.333 -12.681 0.428 260 H6 U 24 H6 U 24 -5.779 -12.603 2.296 261 1H5* U 25 H5' U 25 -4.543 -8.217 8.042 262 2H5* U 25 H5'' U 25 -5.906 -7.581 8.987 263 H4* U 25 H4' U 25 -4.489 -5.933 7.547 264 H3* U 25 H3' U 25 -7.544 -6.012 7.585 265 H2* U 25 H2' U 25 -7.551 -4.234 5.953 266 2HO* U 25 2HO' U 25 -4.838 -3.975 6.764 267 H1* U 25 H1' U 25 -5.525 -5.212 4.359 268 H3 U 25 H3 U 25 -9.594 -5.757 2.252 269 H5 U 25 H5 U 25 -9.074 -9.191 4.646 270 H6 U 25 H6 U 25 -7.146 -8.106 5.652 271 1H5* C 26 H5' C 26 -7.042 -1.992 7.779 272 2H5* C 26 H5'' C 26 -7.738 -1.375 9.291 273 H4* C 26 H4' C 26 -8.717 -0.128 7.496 274 H3* C 26 H3' C 26 -10.639 -2.250 8.581 275 H2* C 26 H2' C 26 -12.260 -1.449 6.989 276 2HO* C 26 2HO' C 26 -11.681 0.553 5.788 277 H1* C 26 H1' C 26 -10.479 -1.026 4.880 278 1H4 C 26 H41 C 26 -13.057 -6.732 3.723 279 2H4 C 26 H42 C 26 -12.083 -7.484 4.965 280 H5 C 26 H5 C 26 -10.483 -6.205 6.334 281 H6 C 26 H6 C 26 -9.678 -3.965 6.871 282 1H5* C 27 H5' C 27 -13.434 1.106 8.742 283 2H5* C 27 H5'' C 27 -13.615 1.295 10.498 284 H4* C 27 H4' C 27 -15.811 1.195 9.452 285 H3* C 27 H3' C 27 -15.078 -1.358 10.960 286 H2* C 27 H2' C 27 -17.288 -2.141 10.488 287 2HO* C 27 2HO' C 27 -17.753 0.610 9.981 288 H1* C 27 H1' C 27 -17.358 -1.151 7.870 289 1H4 C 27 H41 C 27 -15.880 -7.350 7.565 290 2H4 C 27 H42 C 27 -14.176 -6.951 7.589 291 H5 C 27 H5 C 27 -13.378 -4.628 7.773 292 H6 C 27 H6 C 27 -14.061 -2.320 8.178 293 H3T C 27 H3T C 27 -17.017 0.610 11.592 Start of MODEL 7 1 1H5* G 1 H5' G 1 -19.820 -8.515 -7.625 2 2H5* G 1 H5'' G 1 -18.652 -8.835 -8.923 3 H4* G 1 H4' G 1 -17.959 -6.775 -8.029 4 H3* G 1 H3' G 1 -16.314 -9.037 -6.808 5 H2* G 1 H2' G 1 -15.255 -7.485 -5.359 6 2HO* G 1 2HO' G 1 -16.248 -5.402 -7.038 7 H1* G 1 H1' G 1 -17.393 -5.687 -5.019 8 H8 G 1 H8 G 1 -16.294 -9.343 -4.381 9 H1 G 1 H1 G 1 -19.277 -6.467 0.522 10 1H2 G 1 H21 G 1 -20.117 -4.518 -0.141 11 2H2 G 1 H22 G 1 -19.758 -3.850 -1.718 12 H5T G 1 H5T G 1 -18.015 -9.793 -6.392 13 1H5* G 2 H5' G 2 -14.263 -5.417 -9.591 14 2H5* G 2 H5'' G 2 -12.497 -5.578 -9.492 15 H4* G 2 H4' G 2 -13.604 -3.256 -9.000 16 H3* G 2 H3' G 2 -11.399 -4.565 -7.350 17 H2* G 2 H2' G 2 -11.538 -2.773 -5.751 18 2HO* G 2 2HO' G 2 -13.014 -0.939 -6.370 19 H1* G 2 H1' G 2 -14.281 -2.533 -5.666 20 H8 G 2 H8 G 2 -13.482 -6.202 -6.049 21 H1 G 2 H1 G 2 -12.763 -4.052 -0.046 22 1H2 G 2 H21 G 2 -12.879 -1.838 -0.012 23 2H2 G 2 H22 G 2 -13.138 -0.899 -1.464 24 1H5* A 3 H5' A 3 -10.400 -0.376 -7.374 25 2H5* A 3 H5'' A 3 -8.704 -0.271 -7.887 26 H4* A 3 H4' A 3 -9.157 0.882 -5.722 27 H3* A 3 H3' A 3 -7.233 -1.497 -5.716 28 H2* A 3 H2' A 3 -6.921 -1.133 -3.359 29 2HO* A 3 2HO' A 3 -6.944 0.850 -2.612 30 H1* A 3 H1' A 3 -9.565 -0.492 -2.751 31 H8 A 3 H8 A 3 -9.382 -3.438 -5.167 32 1H6 A 3 H61 A 3 -8.696 -6.992 -0.139 33 2H6 A 3 H62 A 3 -9.067 -6.984 -1.848 34 H2 A 3 H2 A 3 -8.450 -2.721 1.149 35 1H5* A 4 H5' A 4 -5.505 1.728 -3.503 36 2H5* A 4 H5'' A 4 -3.778 1.882 -3.881 37 H4* A 4 H4' A 4 -4.308 1.609 -1.432 38 H3* A 4 H3' A 4 -2.512 -0.436 -2.827 39 H2* A 4 H2' A 4 -2.322 -1.596 -0.741 40 2HO* A 4 2HO' A 4 -2.435 0.912 0.184 41 H1* A 4 H1' A 4 -4.928 -1.065 0.212 42 H8 A 4 H8 A 4 -4.926 -2.336 -3.379 43 1H6 A 4 H61 A 4 -4.955 -8.025 -0.913 44 2H6 A 4 H62 A 4 -5.020 -7.110 -2.403 45 H2 A 4 H2 A 4 -4.215 -5.097 2.376 46 1H5* G 5 H5' G 5 1.676 -0.940 -1.426 47 2H5* G 5 H5'' G 5 0.374 -2.041 -1.919 48 H4* G 5 H4' G 5 1.184 -1.735 0.978 49 H3* G 5 H3' G 5 3.063 -2.774 -0.784 50 H2* G 5 H2' G 5 1.564 -4.486 -1.696 51 2HO* G 5 2HO' G 5 3.301 -5.657 -0.993 52 H1* G 5 H1' G 5 0.643 -5.022 1.164 53 H8 G 5 H8 G 5 -1.494 -4.038 -1.889 54 H1 G 5 H1 G 5 -1.931 -10.202 -0.143 55 1H2 G 5 H21 G 5 -0.485 -10.625 1.494 56 2H2 G 5 H22 G 5 0.708 -9.449 1.997 57 1H5* U 6 H5' U 6 3.128 -4.107 3.914 58 2H5* U 6 H5'' U 6 4.629 -3.903 4.840 59 H4* U 6 H4' U 6 5.723 -5.628 3.697 60 H3* U 6 H3' U 6 4.260 -4.885 1.334 61 H2* U 6 H2' U 6 2.454 -6.421 1.672 62 2HO* U 6 2HO' U 6 3.537 -7.352 -0.056 63 H1* U 6 H1' U 6 4.323 -8.299 3.171 64 H3 U 6 H3 U 6 0.826 -10.970 4.266 65 H5 U 6 H5 U 6 -0.883 -7.113 4.345 66 H6 U 6 H6 U 6 1.275 -6.221 3.681 67 1H5* C 7 H5' C 7 9.191 -7.126 -1.442 68 2H5* C 7 H5'' C 7 7.586 -6.916 -2.171 69 H4* C 7 H4' C 7 8.863 -9.389 -1.018 70 H3* C 7 H3' C 7 7.247 -8.759 -3.539 71 H2* C 7 H2' C 7 6.435 -11.005 -3.518 72 2HO* C 7 2HO' C 7 8.630 -11.826 -3.197 73 H1* C 7 H1' C 7 6.337 -11.347 -0.719 74 1H4 C 7 H41 C 7 0.411 -10.549 -3.019 75 2H4 C 7 H42 C 7 0.420 -8.941 -2.332 76 H5 C 7 H5 C 7 2.490 -7.873 -1.521 77 H6 C 7 H6 C 7 4.857 -8.233 -1.057 78 1H5* C 8 H5' C 8 10.271 -12.260 -4.572 79 2H5* C 8 H5'' C 8 10.933 -11.674 -6.112 80 H4* C 8 H4' C 8 10.232 -14.061 -6.197 81 H3* C 8 H3' C 8 8.808 -12.049 -8.001 82 H2* C 8 H2' C 8 7.418 -13.836 -8.828 83 2HO* C 8 2HO' C 8 8.080 -16.057 -7.877 84 H1* C 8 H1' C 8 6.980 -15.107 -6.419 85 1H4 C 8 H41 C 8 2.089 -11.101 -7.282 86 2H4 C 8 H42 C 8 2.938 -9.855 -6.396 87 H5 C 8 H5 C 8 5.280 -10.111 -5.678 88 H6 C 8 H6 C 8 7.194 -11.626 -5.648 89 1H5* G 9 H5' G 9 10.312 -15.192 -10.605 90 2H5* G 9 H5'' G 9 10.607 -14.600 -12.253 91 H4* G 9 H4' G 9 8.719 -16.323 -11.915 92 H3* G 9 H3' G 9 8.308 -13.682 -13.402 93 H2* G 9 H2' G 9 6.013 -14.306 -13.742 94 2HO* G 9 2HO' G 9 5.344 -16.431 -13.599 95 H1* G 9 H1' G 9 5.596 -15.525 -11.261 96 H8 G 9 H8 G 9 7.464 -12.337 -10.604 97 H1 G 9 H1 G 9 1.247 -11.388 -11.890 98 1H2 G 9 H21 G 9 0.343 -13.254 -12.685 99 2H2 G 9 H22 G 9 1.274 -14.721 -12.895 100 1H5* G 10 H5' G 10 6.116 -16.409 -15.328 101 2H5* G 10 H5'' G 10 6.662 -16.623 -17.004 102 H4* G 10 H4' G 10 4.283 -16.322 -17.057 103 H3* G 10 H3' G 10 5.808 -13.825 -17.937 104 H2* G 10 H2' G 10 3.708 -12.700 -18.228 105 2HO* G 10 2HO' G 10 2.631 -15.345 -18.193 106 H1* G 10 H1' G 10 2.355 -13.868 -16.063 107 H8 G 10 H8 G 10 5.942 -12.641 -15.374 108 H1 G 10 H1 G 10 1.357 -8.245 -14.495 109 1H2 G 10 H21 G 10 -0.576 -8.986 -15.301 110 2H2 G 10 H22 G 10 -0.769 -10.636 -15.850 111 1H5* U 11 H5' U 11 1.987 -13.824 -20.102 112 2H5* U 11 H5'' U 11 2.575 -14.184 -21.739 113 H4* U 11 H4' U 11 1.221 -12.331 -22.126 114 H3* U 11 H3' U 11 4.053 -11.313 -21.624 115 H2* U 11 H2' U 11 3.255 -9.099 -21.608 116 2HO* U 11 2HO' U 11 1.674 -8.456 -22.935 117 H1* U 11 H1' U 11 0.639 -9.565 -20.687 118 H3 U 11 H3 U 11 1.818 -6.874 -17.273 119 H5 U 11 H5 U 11 5.173 -9.408 -17.641 120 H6 U 11 H6 U 11 4.016 -10.563 -19.431 121 1H5* C 12 H5' C 12 1.646 -9.560 -25.796 122 2H5* C 12 H5'' C 12 3.119 -9.025 -26.630 123 H4* C 12 H4' C 12 1.107 -7.372 -26.422 124 H3* C 12 H3' C 12 3.998 -6.627 -25.768 125 H2* C 12 H2' C 12 3.183 -4.378 -25.293 126 2HO* C 12 2HO' C 12 0.811 -5.337 -26.552 127 H1* C 12 H1' C 12 0.950 -5.174 -23.894 128 1H4 C 12 H41 C 12 5.344 -4.280 -19.406 129 2H4 C 12 H42 C 12 5.842 -5.951 -19.542 130 H5 C 12 H5 C 12 4.879 -7.481 -21.211 131 H6 C 12 H6 C 12 3.374 -7.622 -23.148 132 1H5* U 13 H5' U 13 3.579 -3.080 -27.196 133 2H5* U 13 H5'' U 13 4.937 -2.886 -28.319 134 H4* U 13 H4' U 13 5.060 -1.397 -26.307 135 H3* U 13 H3' U 13 7.296 -3.458 -26.698 136 H2* U 13 H2' U 13 8.367 -2.434 -24.788 137 2HO* U 13 2HO' U 13 7.316 -0.477 -23.893 138 H1* U 13 H1' U 13 6.039 -2.166 -23.273 139 H3 U 13 H3 U 13 9.216 -5.470 -21.951 140 H5 U 13 H5 U 13 5.932 -7.366 -23.796 141 H6 U 13 H6 U 13 5.138 -5.170 -24.467 142 1H5* U 14 H5' U 14 9.906 0.408 -25.407 143 2H5* U 14 H5'' U 14 8.367 0.450 -26.280 144 H4* U 14 H4' U 14 11.011 1.562 -27.190 145 H3* U 14 H3' U 14 9.211 2.995 -25.680 146 H2* U 14 H2' U 14 7.329 2.824 -27.194 147 2HO* U 14 2HO' U 14 7.709 5.022 -27.043 148 H1* U 14 H1' U 14 9.164 3.218 -29.581 149 H3 U 14 H3 U 14 5.804 2.220 -32.440 150 H5 U 14 H5 U 14 4.941 -0.239 -29.123 151 H6 U 14 H6 U 14 6.883 0.700 -28.009 152 1H5* C 15 H5' C 15 10.850 6.290 -23.661 153 2H5* C 15 H5'' C 15 12.185 5.154 -23.381 154 H4* C 15 H4' C 15 10.607 5.450 -21.431 155 H3* C 15 H3' C 15 11.841 3.078 -22.030 156 H2* C 15 H2' C 15 10.067 2.415 -23.628 157 2HO* C 15 2HO' C 15 9.997 0.549 -22.619 158 H1* C 15 H1' C 15 8.146 3.154 -21.362 159 1H4 C 15 H41 C 15 3.553 3.436 -25.829 160 2H4 C 15 H42 C 15 4.153 1.902 -26.418 161 H5 C 15 H5 C 15 6.242 0.904 -25.592 162 H6 C 15 H6 C 15 8.153 1.227 -24.130 163 1H5* G 16 H5' G 16 9.462 1.912 -16.571 164 2H5* G 16 H5'' G 16 9.149 1.373 -18.234 165 H4* G 16 H4' G 16 8.929 4.295 -17.523 166 H3* G 16 H3' G 16 6.807 2.147 -16.987 167 H2* G 16 H2' G 16 5.162 3.780 -17.696 168 2HO* G 16 2HO' G 16 5.596 5.911 -17.720 169 H1* G 16 H1' G 16 6.538 4.629 -19.918 170 H8 G 16 H8 G 16 3.868 3.315 -19.892 171 H1 G 16 H1 G 16 7.267 -1.927 -21.326 172 1H2 G 16 H21 G 16 9.388 -1.640 -20.772 173 2H2 G 16 H22 G 16 9.994 -0.095 -20.218 174 1H5* G 17 H5' G 17 5.514 4.952 -15.471 175 2H5* G 17 H5'' G 17 4.556 5.350 -14.035 176 H4* G 17 H4' G 17 2.915 4.917 -15.641 177 H3* G 17 H3' G 17 3.421 2.274 -14.174 178 H2* G 17 H2' G 17 1.672 1.341 -15.560 179 2HO* G 17 2HO' G 17 0.973 4.031 -15.720 180 H1* G 17 H1' G 17 2.452 2.600 -17.917 181 H8 G 17 H8 G 17 5.084 1.190 -15.449 182 H1 G 17 H1 G 17 3.413 -2.772 -20.208 183 1H2 G 17 H21 G 17 1.842 -1.837 -21.462 184 2H2 G 17 H22 G 17 1.067 -0.335 -21.002 185 1H5* A 18 H5' A 18 -0.421 2.865 -14.779 186 2H5* A 18 H5'' A 18 -1.523 2.598 -13.415 187 H4* A 18 H4' A 18 -2.300 1.269 -15.256 188 H3* A 18 H3' A 18 -0.851 -0.452 -13.172 189 H2* A 18 H2' A 18 -1.448 -2.345 -14.532 190 2HO* A 18 2HO' A 18 -3.074 -2.170 -16.123 191 H1* A 18 H1' A 18 -1.126 -1.058 -17.016 192 H8 A 18 H8 A 18 1.661 -0.655 -14.353 193 1H6 A 18 H61 A 18 4.182 -5.663 -16.994 194 2H6 A 18 H62 A 18 4.459 -4.334 -15.890 195 H2 A 18 H2 A 18 0.218 -4.925 -18.927 196 1H5* C 19 H5' C 19 -5.103 -2.313 -14.164 197 2H5* C 19 H5'' C 19 -5.356 -3.269 -12.690 198 H4* C 19 H4' C 19 -5.274 -4.476 -15.014 199 H3* C 19 H3' C 19 -3.734 -5.438 -12.545 200 H2* C 19 H2' C 19 -2.973 -7.282 -13.895 201 2HO* C 19 2HO' C 19 -5.304 -7.343 -14.800 202 H1* C 19 H1' C 19 -2.672 -5.834 -16.278 203 1H4 C 19 H41 C 19 3.184 -6.427 -13.817 204 2H4 C 19 H42 C 19 2.874 -5.161 -12.650 205 H5 C 19 H5 C 19 0.617 -4.227 -12.300 206 H6 C 19 H6 C 19 -1.672 -4.199 -13.146 207 1H5* C 20 H5' C 20 -6.959 -8.575 -13.472 208 2H5* C 20 H5'' C 20 -7.558 -9.227 -11.933 209 H4* C 20 H4' C 20 -6.719 -10.975 -13.516 210 H3* C 20 H3' C 20 -5.337 -10.650 -10.807 211 H2* C 20 H2' C 20 -3.880 -12.477 -11.419 212 2HO* C 20 2HO' C 20 -5.218 -13.955 -12.319 213 H1* C 20 H1' C 20 -3.439 -11.699 -14.033 214 1H4 C 20 H41 C 20 1.322 -9.209 -10.600 215 2H4 C 20 H42 C 20 0.369 -7.782 -10.264 216 H5 C 20 H5 C 20 -1.934 -7.517 -11.099 217 H6 C 20 H6 C 20 -3.784 -8.654 -12.211 218 1H5* G 21 H5' G 21 -6.248 -14.821 -10.943 219 2H5* G 21 H5'' G 21 -7.021 -15.301 -9.419 220 H4* G 21 H4' G 21 -5.072 -16.687 -9.776 221 H3* G 21 H3' G 21 -4.677 -14.595 -7.585 222 H2* G 21 H2' G 21 -2.467 -15.488 -7.275 223 2HO* G 21 2HO' G 21 -2.061 -17.568 -7.594 224 H1* G 21 H1' G 21 -1.940 -16.084 -9.963 225 H8 G 21 H8 G 21 -3.440 -12.621 -9.130 226 H1 G 21 H1 G 21 2.974 -12.906 -9.075 227 1H2 G 21 H21 G 21 3.642 -15.007 -9.351 228 2H2 G 21 H22 G 21 2.508 -16.335 -9.453 229 1H5* G 22 H5' G 22 -5.090 -18.735 -5.249 230 2H5* G 22 H5'' G 22 -6.043 -18.280 -3.821 231 H4* G 22 H4' G 22 -3.896 -19.381 -3.233 232 H3* G 22 H3' G 22 -4.316 -16.479 -2.378 233 H2* G 22 H2' G 22 -2.115 -16.515 -1.383 234 2HO* G 22 2HO' G 22 -1.140 -18.380 -0.810 235 H1* G 22 H1' G 22 -0.828 -17.856 -3.415 236 H8 G 22 H8 G 22 -3.333 -15.629 -5.123 237 H1 G 22 H1 G 22 1.822 -12.449 -2.988 238 1H2 G 22 H21 G 22 3.067 -13.781 -1.720 239 2H2 G 22 H22 G 22 2.517 -15.372 -1.239 240 1H5* C 23 H5' C 23 -3.787 -18.416 1.348 241 2H5* C 23 H5'' C 23 -4.918 -17.871 2.606 242 H4* C 23 H4' C 23 -2.588 -17.290 3.161 243 H3* C 23 H3' C 23 -4.485 -14.963 2.577 244 H2* C 23 H2' C 23 -2.647 -13.460 3.029 245 2HO* C 23 2HO' C 23 -1.963 -14.829 4.880 246 H1* C 23 H1' C 23 -0.714 -14.876 1.667 247 1H4 C 23 H41 C 23 -3.165 -10.586 -2.387 248 2H4 C 23 H42 C 23 -4.268 -11.795 -3.004 249 H5 C 23 H5 C 23 -4.584 -13.971 -1.894 250 H6 C 23 H6 C 23 -3.759 -15.436 -0.126 251 1H5* U 24 H5' U 24 -4.038 -13.874 7.128 252 2H5* U 24 H5'' U 24 -5.751 -13.483 7.384 253 H4* U 24 H4' U 24 -4.007 -11.599 7.694 254 H3* U 24 H3' U 24 -6.490 -11.273 5.933 255 H2* U 24 H2' U 24 -5.762 -9.034 5.480 256 2HO* U 24 2HO' U 24 -3.643 -8.710 7.068 257 H1* U 24 H1' U 24 -2.995 -9.566 5.462 258 H3 U 24 H3 U 24 -4.425 -7.928 1.391 259 H5 U 24 H5 U 24 -4.990 -12.105 1.237 260 H6 U 24 H6 U 24 -4.499 -12.184 3.617 261 1H5* U 25 H5' U 25 -6.503 -7.733 9.379 262 2H5* U 25 H5'' U 25 -8.268 -7.548 9.438 263 H4* U 25 H4' U 25 -6.787 -5.447 8.995 264 H3* U 25 H3' U 25 -9.270 -6.179 7.368 265 H2* U 25 H2' U 25 -8.881 -4.213 6.026 266 2HO* U 25 2HO' U 25 -8.031 -3.228 8.275 267 H1* U 25 H1' U 25 -6.128 -4.466 5.830 268 H3 U 25 H3 U 25 -7.835 -5.479 1.697 269 H5 U 25 H5 U 25 -8.355 -8.992 3.973 270 H6 U 25 H6 U 25 -7.648 -7.739 5.932 271 1H5* C 26 H5' C 26 -9.554 -2.289 7.642 272 2H5* C 26 H5'' C 26 -10.897 -1.778 8.682 273 H4* C 26 H4' C 26 -11.132 -0.451 6.756 274 H3* C 26 H3' C 26 -12.958 -2.894 6.492 275 H2* C 26 H2' C 26 -13.632 -2.055 4.346 276 2HO* C 26 2HO' C 26 -13.439 0.241 5.569 277 H1* C 26 H1' C 26 -11.130 -0.994 3.588 278 1H4 C 26 H41 C 26 -11.699 -6.529 0.462 279 2H4 C 26 H42 C 26 -11.252 -7.429 1.895 280 H5 C 26 H5 C 26 -11.090 -6.366 4.112 281 H6 C 26 H6 C 26 -11.107 -4.232 5.296 282 1H5* C 27 H5' C 27 -15.157 -0.040 4.565 283 2H5* C 27 H5'' C 27 -16.187 0.560 5.881 284 H4* C 27 H4' C 27 -17.666 0.499 4.075 285 H3* C 27 H3' C 27 -17.858 -2.239 5.420 286 H2* C 27 H2' C 27 -19.559 -2.774 3.822 287 2HO* C 27 2HO' C 27 -19.680 -0.426 2.453 288 H1* C 27 H1' C 27 -18.268 -1.559 1.660 289 1H4 C 27 H41 C 27 -17.050 -7.826 1.459 290 2H4 C 27 H42 C 27 -15.522 -7.546 2.265 291 H5 C 27 H5 C 27 -14.842 -5.315 3.056 292 H6 C 27 H6 C 27 -15.568 -3.002 3.343 293 H3T C 27 H3T C 27 -19.852 -0.254 5.258 Start of MODEL 8 1 1H5* G 1 H5' G 1 -23.328 -7.672 0.238 2 2H5* G 1 H5'' G 1 -22.763 -8.329 -1.312 3 H4* G 1 H4' G 1 -21.831 -6.106 -0.965 4 H3* G 1 H3' G 1 -19.838 -8.410 -0.789 5 H2* G 1 H2' G 1 -18.120 -6.880 -0.200 6 2HO* G 1 2HO' G 1 -18.736 -4.500 -0.553 7 H1* G 1 H1' G 1 -19.688 -4.992 1.185 8 H8 G 1 H8 G 1 -18.470 -8.667 1.276 9 H1 G 1 H1 G 1 -18.223 -5.528 6.872 10 1H2 G 1 H21 G 1 -19.261 -3.571 6.686 11 2H2 G 1 H22 G 1 -19.823 -2.970 5.143 12 H5T G 1 H5T G 1 -21.889 -9.905 -0.274 13 1H5* G 2 H5' G 2 -19.586 -4.797 -4.251 14 2H5* G 2 H5'' G 2 -18.086 -5.045 -5.171 15 H4* G 2 H4' G 2 -18.618 -2.678 -4.162 16 H3* G 2 H3' G 2 -15.925 -4.101 -4.098 17 H2* G 2 H2' G 2 -15.021 -2.350 -2.723 18 2HO* G 2 2HO' G 2 -16.863 -0.913 -4.078 19 H1* G 2 H1' G 2 -17.188 -1.995 -1.055 20 H8 G 2 H8 G 2 -16.986 -5.682 -1.781 21 H1 G 2 H1 G 2 -12.651 -3.719 2.525 22 1H2 G 2 H21 G 2 -12.639 -1.499 2.630 23 2H2 G 2 H22 G 2 -13.551 -0.518 1.505 24 1H5* A 3 H5' A 3 -14.886 0.161 -4.824 25 2H5* A 3 H5'' A 3 -13.590 0.064 -6.033 26 H4* A 3 H4' A 3 -13.018 1.203 -3.814 27 H3* A 3 H3' A 3 -11.350 -1.129 -4.885 28 H2* A 3 H2' A 3 -9.943 -0.901 -2.955 29 2HO* A 3 2HO' A 3 -11.235 1.562 -2.340 30 H1* A 3 H1' A 3 -11.971 -0.210 -1.125 31 H8 A 3 H8 A 3 -12.918 -3.190 -3.313 32 1H6 A 3 H61 A 3 -10.020 -6.671 0.915 33 2H6 A 3 H62 A 3 -10.957 -6.695 -0.562 34 H2 A 3 H2 A 3 -9.142 -2.386 1.823 35 1H5* A 4 H5' A 4 -8.730 1.414 -2.754 36 2H5* A 4 H5'' A 4 -7.587 1.990 -3.984 37 H4* A 4 H4' A 4 -6.282 1.174 -2.160 38 H3* A 4 H3' A 4 -6.370 -0.834 -4.467 39 H2* A 4 H2' A 4 -4.999 -2.297 -3.156 40 2HO* A 4 2HO' A 4 -4.319 -0.887 -1.019 41 H1* A 4 H1' A 4 -6.063 -1.624 -0.629 42 H8 A 4 H8 A 4 -8.340 -2.498 -3.661 43 1H6 A 4 H61 A 4 -8.426 -8.199 -1.222 44 2H6 A 4 H62 A 4 -9.164 -7.136 -2.401 45 H2 A 4 H2 A 4 -5.668 -5.686 1.234 46 1H5* G 5 H5' G 5 -1.119 -0.387 -4.078 47 2H5* G 5 H5'' G 5 -1.236 -2.022 -4.760 48 H4* G 5 H4' G 5 -1.214 -1.161 -1.868 49 H3* G 5 H3' G 5 0.860 -2.269 -3.300 50 H2* G 5 H2' G 5 -0.359 -4.285 -3.970 51 2HO* G 5 2HO' G 5 0.307 -5.474 -1.608 52 H1* G 5 H1' G 5 -1.424 -4.531 -1.129 53 H8 G 5 H8 G 5 -3.558 -4.019 -4.260 54 H1 G 5 H1 G 5 -3.231 -10.109 -2.254 55 1H2 G 5 H21 G 5 -1.666 -10.309 -0.690 56 2H2 G 5 H22 G 5 -0.834 -8.917 -0.034 57 1H5* U 6 H5' U 6 2.904 -1.461 2.402 58 2H5* U 6 H5'' U 6 3.447 -0.984 0.781 59 H4* U 6 H4' U 6 4.551 -3.043 1.470 60 H3* U 6 H3' U 6 3.295 -2.857 -1.011 61 H2* U 6 H2' U 6 1.337 -4.138 -0.589 62 2HO* U 6 2HO' U 6 3.096 -6.353 -0.536 63 H1* U 6 H1' U 6 2.609 -6.009 1.383 64 H3 U 6 H3 U 6 -1.746 -7.144 2.084 65 H5 U 6 H5 U 6 -1.672 -2.981 2.763 66 H6 U 6 H6 U 6 0.648 -2.978 2.033 67 1H5* C 7 H5' C 7 7.552 -5.843 -1.903 68 2H5* C 7 H5'' C 7 5.788 -5.730 -2.062 69 H4* C 7 H4' C 7 7.314 -8.256 -1.333 70 H3* C 7 H3' C 7 6.177 -7.296 -4.007 71 H2* C 7 H2' C 7 5.497 -9.552 -4.449 72 2HO* C 7 2HO' C 7 6.471 -11.284 -3.450 73 H1* C 7 H1' C 7 4.824 -10.249 -1.803 74 1H4 C 7 H41 C 7 -0.669 -9.190 -4.849 75 2H4 C 7 H42 C 7 -0.503 -7.462 -4.628 76 H5 C 7 H5 C 7 1.429 -6.472 -3.458 77 H6 C 7 H6 C 7 3.632 -6.940 -2.519 78 1H5* C 8 H5' C 8 9.303 -10.487 -4.274 79 2H5* C 8 H5'' C 8 10.473 -10.162 -5.569 80 H4* C 8 H4' C 8 9.799 -12.502 -5.630 81 H3* C 8 H3' C 8 8.752 -10.787 -7.933 82 H2* C 8 H2' C 8 7.656 -12.750 -8.810 83 2HO* C 8 2HO' C 8 8.159 -14.821 -7.994 84 H1* C 8 H1' C 8 6.702 -13.723 -6.416 85 1H4 C 8 H41 C 8 2.042 -10.049 -8.774 86 2H4 C 8 H42 C 8 2.748 -8.632 -8.031 87 H5 C 8 H5 C 8 4.994 -8.663 -7.018 88 H6 C 8 H6 C 8 6.860 -10.097 -6.373 89 1H5* G 9 H5' G 9 11.216 -14.197 -10.103 90 2H5* G 9 H5'' G 9 11.580 -13.392 -11.643 91 H4* G 9 H4' G 9 10.131 -15.568 -11.648 92 H3* G 9 H3' G 9 9.432 -13.025 -13.201 93 H2* G 9 H2' G 9 7.464 -14.165 -14.005 94 2HO* G 9 2HO' G 9 8.214 -16.594 -12.789 95 H1* G 9 H1' G 9 6.794 -15.416 -11.626 96 H8 G 9 H8 G 9 8.007 -11.878 -10.931 97 H1 G 9 H1 G 9 1.880 -12.218 -12.815 98 1H2 G 9 H21 G 9 1.430 -14.258 -13.570 99 2H2 G 9 H22 G 9 2.609 -15.549 -13.510 100 1H5* G 10 H5' G 10 8.588 -16.196 -15.651 101 2H5* G 10 H5'' G 10 9.541 -16.116 -17.147 102 H4* G 10 H4' G 10 7.285 -16.511 -17.804 103 H3* G 10 H3' G 10 8.070 -13.581 -18.181 104 H2* G 10 H2' G 10 5.839 -13.164 -19.000 105 2HO* G 10 2HO' G 10 5.861 -15.975 -19.308 106 H1* G 10 H1' G 10 4.491 -14.677 -17.139 107 H8 G 10 H8 G 10 7.593 -12.766 -15.847 108 H1 G 10 H1 G 10 2.066 -9.522 -15.545 109 1H2 G 10 H21 G 10 0.481 -10.621 -16.651 110 2H2 G 10 H22 G 10 0.739 -12.239 -17.261 111 1H5* U 11 H5' U 11 7.169 -14.934 -22.782 112 2H5* U 11 H5'' U 11 8.266 -13.753 -23.528 113 H4* U 11 H4' U 11 5.718 -13.706 -24.131 114 H3* U 11 H3' U 11 7.378 -11.232 -23.426 115 H2* U 11 H2' U 11 5.388 -9.931 -23.784 116 2HO* U 11 2HO' U 11 3.465 -11.416 -24.498 117 H1* U 11 H1' U 11 3.634 -11.622 -22.496 118 H3 U 11 H3 U 11 4.157 -7.936 -19.801 119 H5 U 11 H5 U 11 7.314 -10.549 -18.789 120 H6 U 11 H6 U 11 6.721 -11.901 -20.719 121 1H5* C 12 H5' C 12 4.233 -9.830 -25.956 122 2H5* C 12 H5'' C 12 5.114 -9.511 -27.461 123 H4* C 12 H4' C 12 3.752 -7.597 -27.062 124 H3* C 12 H3' C 12 6.615 -7.024 -26.142 125 H2* C 12 H2' C 12 5.829 -4.761 -25.727 126 2HO* C 12 2HO' C 12 3.262 -5.147 -26.675 127 H1* C 12 H1' C 12 3.348 -5.531 -24.702 128 1H4 C 12 H41 C 12 7.284 -4.066 -19.874 129 2H4 C 12 H42 C 12 7.570 -5.773 -19.621 130 H5 C 12 H5 C 12 6.560 -7.496 -21.068 131 H6 C 12 H6 C 12 5.235 -7.866 -23.076 132 1H5* U 13 H5' U 13 6.180 -3.459 -27.756 133 2H5* U 13 H5'' U 13 7.801 -3.047 -28.347 134 H4* U 13 H4' U 13 6.888 -1.857 -26.216 135 H3* U 13 H3' U 13 9.685 -3.057 -26.442 136 H2* U 13 H2' U 13 10.086 -2.422 -24.180 137 2HO* U 13 2HO' U 13 8.431 -0.386 -24.938 138 H1* U 13 H1' U 13 7.413 -2.674 -23.234 139 H3 U 13 H3 U 13 10.759 -5.233 -21.036 140 H5 U 13 H5 U 13 8.465 -7.729 -23.543 141 H6 U 13 H6 U 13 7.510 -5.727 -24.530 142 1H5* U 14 H5' U 14 12.158 0.729 -25.453 143 2H5* U 14 H5'' U 14 10.391 0.543 -25.506 144 H4* U 14 H4' U 14 12.097 2.488 -27.060 145 H3* U 14 H3' U 14 11.059 2.919 -24.518 146 H2* U 14 H2' U 14 8.737 2.800 -25.119 147 2HO* U 14 2HO' U 14 8.286 4.823 -24.721 148 H1* U 14 H1' U 14 9.337 4.202 -27.757 149 H3 U 14 H3 U 14 5.107 3.521 -29.203 150 H5 U 14 H5 U 14 5.822 0.108 -26.836 151 H6 U 14 H6 U 14 8.043 0.984 -26.356 152 1H5* C 15 H5' C 15 9.943 4.958 -23.612 153 2H5* C 15 H5'' C 15 10.840 6.073 -22.571 154 H4* C 15 H4' C 15 9.236 4.542 -21.386 155 H3* C 15 H3' C 15 11.724 5.350 -20.397 156 H2* C 15 H2' C 15 12.821 3.226 -21.053 157 2HO* C 15 2HO' C 15 12.954 3.642 -18.733 158 H1* C 15 H1' C 15 10.280 1.905 -20.024 159 1H4 C 15 H41 C 15 14.041 -2.985 -21.792 160 2H4 C 15 H42 C 15 13.344 -2.857 -23.392 161 H5 C 15 H5 C 15 11.905 -0.974 -24.039 162 H6 C 15 H6 C 15 10.819 1.058 -23.296 163 1H5* G 16 H5' G 16 8.762 2.386 -16.239 164 2H5* G 16 H5'' G 16 9.398 2.173 -17.881 165 H4* G 16 H4' G 16 8.089 4.784 -17.455 166 H3* G 16 H3' G 16 6.431 2.210 -17.252 167 H2* G 16 H2' G 16 4.714 3.464 -18.426 168 2HO* G 16 2HO' G 16 5.562 5.799 -18.936 169 H1* G 16 H1' G 16 6.460 4.555 -20.279 170 H8 G 16 H8 G 16 4.107 2.937 -20.932 171 H1 G 16 H1 G 16 8.287 -1.912 -21.204 172 1H2 G 16 H21 G 16 10.143 -1.388 -20.130 173 2H2 G 16 H22 G 16 10.351 0.153 -19.328 174 1H5* G 17 H5' G 17 4.240 4.689 -16.257 175 2H5* G 17 H5'' G 17 2.900 4.896 -15.114 176 H4* G 17 H4' G 17 1.797 4.146 -17.025 177 H3* G 17 H3' G 17 2.489 1.606 -15.445 178 H2* G 17 H2' G 17 1.286 0.416 -17.187 179 2HO* G 17 2HO' G 17 0.367 1.983 -18.906 180 H1* G 17 H1' G 17 2.402 1.821 -19.295 181 H8 G 17 H8 G 17 4.602 1.014 -16.221 182 H1 G 17 H1 G 17 4.746 -3.372 -20.876 183 1H2 G 17 H21 G 17 3.381 -2.794 -22.524 184 2H2 G 17 H22 G 17 2.267 -1.451 -22.360 185 1H5* A 18 H5' A 18 -1.566 1.379 -17.167 186 2H5* A 18 H5'' A 18 -2.458 0.262 -16.118 187 H4* A 18 H4' A 18 -2.025 -0.354 -18.639 188 H3* A 18 H3' A 18 -1.614 -2.328 -16.329 189 H2* A 18 H2' A 18 -1.139 -3.956 -18.042 190 2HO* A 18 2HO' A 18 -2.176 -2.057 -19.909 191 H1* A 18 H1' A 18 0.199 -2.172 -19.774 192 H8 A 18 H8 A 18 1.649 -1.722 -16.335 193 1H6 A 18 H61 A 18 5.079 -6.759 -17.487 194 2H6 A 18 H62 A 18 4.807 -5.429 -16.383 195 H2 A 18 H2 A 18 1.954 -6.460 -20.670 196 1H5* C 19 H5' C 19 -3.329 -4.494 -19.158 197 2H5* C 19 H5'' C 19 -4.946 -5.004 -18.630 198 H4* C 19 H4' C 19 -4.014 -7.009 -19.375 199 H3* C 19 H3' C 19 -3.391 -6.806 -16.384 200 H2* C 19 H2' C 19 -2.233 -8.898 -16.581 201 2HO* C 19 2HO' C 19 -2.977 -10.385 -17.900 202 H1* C 19 H1' C 19 -1.169 -8.463 -19.149 203 1H4 C 19 H41 C 19 3.671 -7.308 -15.160 204 2H4 C 19 H42 C 19 2.932 -5.825 -14.596 205 H5 C 19 H5 C 19 0.623 -5.201 -15.199 206 H6 C 19 H6 C 19 -1.285 -5.777 -16.608 207 1H5* C 20 H5' C 20 -5.239 -10.821 -17.224 208 2H5* C 20 H5'' C 20 -6.591 -10.943 -16.080 209 H4* C 20 H4' C 20 -5.413 -13.013 -15.962 210 H3* C 20 H3' C 20 -4.726 -11.197 -13.598 211 H2* C 20 H2' C 20 -3.256 -12.929 -12.796 212 2HO* C 20 2HO' C 20 -3.418 -14.979 -14.300 213 H1* C 20 H1' C 20 -2.219 -13.682 -15.257 214 1H4 C 20 H41 C 20 2.012 -9.518 -12.918 215 2H4 C 20 H42 C 20 0.955 -8.167 -13.266 216 H5 C 20 H5 C 20 -1.358 -8.476 -14.049 217 H6 C 20 H6 C 20 -3.009 -10.121 -14.765 218 1H5* G 21 H5' G 21 -6.514 -15.283 -12.022 219 2H5* G 21 H5'' G 21 -6.945 -14.965 -10.330 220 H4* G 21 H4' G 21 -5.159 -16.810 -10.912 221 H3* G 21 H3' G 21 -4.909 -14.752 -8.667 222 H2* G 21 H2' G 21 -2.758 -15.723 -8.139 223 2HO* G 21 2HO' G 21 -2.173 -17.739 -8.885 224 H1* G 21 H1' G 21 -1.876 -16.026 -10.737 225 H8 G 21 H8 G 21 -3.789 -12.767 -10.556 226 H1 G 21 H1 G 21 2.155 -12.385 -8.163 227 1H2 G 21 H21 G 21 2.997 -14.426 -7.895 228 2H2 G 21 H22 G 21 2.165 -15.850 -8.478 229 1H5* G 22 H5' G 22 -4.871 -18.568 -6.839 230 2H5* G 22 H5'' G 22 -5.858 -18.811 -5.384 231 H4* G 22 H4' G 22 -3.512 -19.195 -4.862 232 H3* G 22 H3' G 22 -4.708 -16.654 -3.665 233 H2* G 22 H2' G 22 -2.556 -16.192 -2.666 234 2HO* G 22 2HO' G 22 -0.933 -17.806 -2.626 235 H1* G 22 H1' G 22 -1.003 -16.883 -4.842 236 H8 G 22 H8 G 22 -4.050 -15.209 -6.278 237 H1 G 22 H1 G 22 0.120 -11.062 -3.698 238 1H2 G 22 H21 G 22 1.600 -12.155 -2.448 239 2H2 G 22 H22 G 22 1.675 -13.903 -2.428 240 1H5* C 23 H5' C 23 -3.338 -18.363 -0.424 241 2H5* C 23 H5'' C 23 -4.428 -18.633 0.952 242 H4* C 23 H4' C 23 -2.754 -17.132 1.723 243 H3* C 23 H3' C 23 -5.325 -15.631 1.014 244 H2* C 23 H2' C 23 -4.212 -13.599 1.709 245 2HO* C 23 2HO' C 23 -2.268 -13.674 2.864 246 H1* C 23 H1' C 23 -1.793 -14.123 0.492 247 1H4 C 23 H41 C 23 -5.148 -10.798 -3.788 248 2H4 C 23 H42 C 23 -6.002 -12.236 -4.301 249 H5 C 23 H5 C 23 -5.616 -14.436 -3.259 250 H6 C 23 H6 C 23 -4.460 -15.604 -1.456 251 1H5* U 24 H5' U 24 -4.738 -14.767 5.443 252 2H5* U 24 H5'' U 24 -6.315 -14.215 6.045 253 H4* U 24 H4' U 24 -4.243 -12.545 5.831 254 H3* U 24 H3' U 24 -7.157 -11.888 5.142 255 H2* U 24 H2' U 24 -6.396 -9.678 4.582 256 2HO* U 24 2HO' U 24 -3.962 -9.364 5.156 257 H1* U 24 H1' U 24 -3.937 -10.461 3.455 258 H3 U 24 H3 U 24 -6.654 -8.370 0.360 259 H5 U 24 H5 U 24 -7.687 -12.460 0.256 260 H6 U 24 H6 U 24 -6.318 -12.779 2.241 261 1H5* U 25 H5' U 25 -5.327 -9.013 8.410 262 2H5* U 25 H5'' U 25 -6.727 -8.416 9.323 263 H4* U 25 H4' U 25 -5.070 -6.693 8.287 264 H3* U 25 H3' U 25 -8.112 -6.517 8.021 265 H2* U 25 H2' U 25 -7.797 -4.490 6.743 266 2HO* U 25 2HO' U 25 -5.630 -4.311 8.294 267 H1* U 25 H1' U 25 -5.678 -5.390 5.214 268 H3 U 25 H3 U 25 -9.437 -5.163 2.565 269 H5 U 25 H5 U 25 -9.613 -8.933 4.452 270 H6 U 25 H6 U 25 -7.744 -8.241 5.842 271 1H5* C 26 H5' C 26 -7.164 -2.837 8.939 272 2H5* C 26 H5'' C 26 -8.007 -2.146 10.339 273 H4* C 26 H4' C 26 -8.410 -0.727 8.431 274 H3* C 26 H3' C 26 -10.849 -2.439 9.148 275 H2* C 26 H2' C 26 -12.015 -1.299 7.371 276 2HO* C 26 2HO' C 26 -9.816 0.487 7.100 277 H1* C 26 H1' C 26 -9.857 -1.205 5.586 278 1H4 C 26 H41 C 26 -13.359 -6.163 3.670 279 2H4 C 26 H42 C 26 -12.784 -7.151 4.994 280 H5 C 26 H5 C 26 -11.174 -6.305 6.657 281 H6 C 26 H6 C 26 -10.014 -4.314 7.462 282 1H5* C 27 H5' C 27 -13.126 1.428 10.162 283 2H5* C 27 H5'' C 27 -13.745 0.850 11.722 284 H4* C 27 H4' C 27 -15.451 1.433 9.862 285 H3* C 27 H3' C 27 -15.503 -1.274 11.282 286 H2* C 27 H2' C 27 -17.525 -1.712 10.077 287 2HO* C 27 2HO' C 27 -17.611 1.057 10.049 288 H1* C 27 H1' C 27 -16.644 -0.522 7.687 289 1H4 C 27 H41 C 27 -16.073 -6.864 7.156 290 2H4 C 27 H42 C 27 -14.377 -6.731 7.569 291 H5 C 27 H5 C 27 -13.329 -4.568 8.122 292 H6 C 27 H6 C 27 -13.768 -2.214 8.596 293 H3T C 27 H3T C 27 -17.555 0.303 11.803 Start of MODEL 9 1 1H5* G 1 H5' G 1 -22.709 -7.470 -3.752 2 2H5* G 1 H5'' G 1 -22.074 -7.990 -5.327 3 H4* G 1 H4' G 1 -20.837 -6.053 -4.806 4 H3* G 1 H3' G 1 -19.245 -8.552 -4.080 5 H2* G 1 H2' G 1 -17.556 -7.205 -3.107 6 2HO* G 1 2HO' G 1 -18.661 -4.907 -4.371 7 H1* G 1 H1' G 1 -19.163 -5.080 -2.196 8 H8 G 1 H8 G 1 -18.528 -8.876 -1.763 9 H1 G 1 H1 G 1 -19.122 -5.527 3.683 10 1H2 G 1 H21 G 1 -19.688 -3.427 3.220 11 2H2 G 1 H22 G 1 -20.040 -2.902 1.589 12 H5T G 1 H5T G 1 -21.257 -9.719 -4.446 13 1H5* G 2 H5' G 2 -17.721 -5.140 -7.364 14 2H5* G 2 H5'' G 2 -16.104 -5.606 -7.928 15 H4* G 2 H4' G 2 -16.495 -3.164 -7.105 16 H3* G 2 H3' G 2 -14.144 -4.934 -6.308 17 H2* G 2 H2' G 2 -13.378 -3.231 -4.791 18 2HO* G 2 2HO' G 2 -15.149 -1.253 -5.183 19 H1* G 2 H1' G 2 -15.824 -2.495 -3.760 20 H8 G 2 H8 G 2 -15.901 -6.228 -4.335 21 H1 G 2 H1 G 2 -12.796 -4.521 1.019 22 1H2 G 2 H21 G 2 -12.550 -2.314 1.079 23 2H2 G 2 H22 G 2 -12.966 -1.303 -0.287 24 1H5* A 3 H5' A 3 -12.537 -1.063 -6.859 25 2H5* A 3 H5'' A 3 -11.041 -1.160 -7.809 26 H4* A 3 H4' A 3 -10.720 -0.054 -5.606 27 H3* A 3 H3' A 3 -9.252 -2.693 -6.098 28 H2* A 3 H2' A 3 -8.281 -2.461 -3.905 29 2HO* A 3 2HO' A 3 -9.403 0.099 -3.536 30 H1* A 3 H1' A 3 -10.555 -1.505 -2.620 31 H8 A 3 H8 A 3 -11.338 -4.308 -5.113 32 1H6 A 3 H61 A 3 -10.169 -8.198 -0.434 33 2H6 A 3 H62 A 3 -10.802 -8.057 -2.059 34 H2 A 3 H2 A 3 -9.031 -4.085 0.879 35 1H5* A 4 H5' A 4 -7.056 0.120 -4.209 36 2H5* A 4 H5'' A 4 -5.432 0.439 -4.848 37 H4* A 4 H4' A 4 -5.429 0.067 -2.398 38 H3* A 4 H3' A 4 -3.968 -1.987 -4.129 39 H2* A 4 H2' A 4 -3.392 -3.169 -2.126 40 2HO* A 4 2HO' A 4 -3.950 -1.902 -0.051 41 H1* A 4 H1' A 4 -5.759 -2.626 -0.689 42 H8 A 4 H8 A 4 -6.426 -3.837 -4.245 43 1H6 A 4 H61 A 4 -6.024 -9.570 -1.926 44 2H6 A 4 H62 A 4 -6.570 -8.610 -3.283 45 H2 A 4 H2 A 4 -4.779 -6.701 1.265 46 1H5* G 5 H5' G 5 -1.001 -0.964 -1.148 47 2H5* G 5 H5'' G 5 0.539 -0.760 -2.008 48 H4* G 5 H4' G 5 0.603 -2.519 -0.228 49 H3* G 5 H3' G 5 1.182 -3.240 -3.122 50 H2* G 5 H2' G 5 0.951 -5.537 -2.672 51 2HO* G 5 2HO' G 5 2.876 -5.079 -1.211 52 H1* G 5 H1' G 5 -0.197 -5.228 0.041 53 H8 G 5 H8 G 5 -2.099 -4.804 -3.301 54 H1 G 5 H1 G 5 -2.724 -10.549 -0.505 55 1H2 G 5 H21 G 5 -1.348 -10.702 1.231 56 2H2 G 5 H22 G 5 -0.352 -9.359 1.745 57 1H5* U 6 H5' U 6 3.993 -1.039 0.910 58 2H5* U 6 H5'' U 6 5.729 -0.955 0.544 59 H4* U 6 H4' U 6 6.075 -3.009 1.440 60 H3* U 6 H3' U 6 4.238 -3.880 -0.664 61 H2* U 6 H2' U 6 2.511 -4.564 0.827 62 2HO* U 6 2HO' U 6 4.256 -6.448 1.942 63 H1* U 6 H1' U 6 4.523 -4.817 3.101 64 H3 U 6 H3 U 6 1.062 -5.529 5.951 65 H5 U 6 H5 U 6 -0.378 -2.444 3.461 66 H6 U 6 H6 U 6 1.683 -2.614 2.182 67 1H5* C 7 H5' C 7 6.655 -6.812 0.984 68 2H5* C 7 H5'' C 7 8.393 -6.930 1.322 69 H4* C 7 H4' C 7 8.525 -8.941 0.273 70 H3* C 7 H3' C 7 6.997 -7.603 -2.013 71 H2* C 7 H2' C 7 6.429 -9.790 -2.823 72 2HO* C 7 2HO' C 7 7.555 -11.644 -2.026 73 H1* C 7 H1' C 7 6.050 -11.012 -0.332 74 1H4 C 7 H41 C 7 0.285 -9.558 -2.650 75 2H4 C 7 H42 C 7 0.356 -7.986 -1.883 76 H5 C 7 H5 C 7 2.384 -7.161 -0.755 77 H6 C 7 H6 C 7 4.684 -7.711 -0.147 78 1H5* C 8 H5' C 8 10.220 -10.937 -3.586 79 2H5* C 8 H5'' C 8 10.674 -10.123 -5.096 80 H4* C 8 H4' C 8 10.018 -12.587 -5.272 81 H3* C 8 H3' C 8 8.668 -10.431 -6.967 82 H2* C 8 H2' C 8 7.314 -12.165 -7.964 83 2HO* C 8 2HO' C 8 7.849 -14.348 -7.715 84 H1* C 8 H1' C 8 6.776 -13.562 -5.648 85 1H4 C 8 H41 C 8 1.939 -9.448 -6.302 86 2H4 C 8 H42 C 8 2.876 -8.174 -5.556 87 H5 C 8 H5 C 8 5.277 -8.423 -5.066 88 H6 C 8 H6 C 8 7.151 -9.986 -5.058 89 1H5* G 9 H5' G 9 10.113 -13.721 -9.406 90 2H5* G 9 H5'' G 9 10.579 -13.238 -11.050 91 H4* G 9 H4' G 9 8.737 -14.992 -10.861 92 H3* G 9 H3' G 9 8.309 -12.398 -12.427 93 H2* G 9 H2' G 9 6.096 -13.186 -12.965 94 2HO* G 9 2HO' G 9 6.831 -15.705 -11.842 95 H1* G 9 H1' G 9 5.496 -14.263 -10.479 96 H8 G 9 H8 G 9 7.352 -11.004 -9.963 97 H1 G 9 H1 G 9 1.145 -10.229 -11.406 98 1H2 G 9 H21 G 9 0.296 -12.146 -12.148 99 2H2 G 9 H22 G 9 1.205 -13.639 -12.092 100 1H5* G 10 H5' G 10 6.636 -15.404 -14.389 101 2H5* G 10 H5'' G 10 7.214 -15.636 -16.051 102 H4* G 10 H4' G 10 4.804 -15.626 -16.082 103 H3* G 10 H3' G 10 5.998 -13.016 -17.155 104 H2* G 10 H2' G 10 3.727 -12.332 -17.630 105 2HO* G 10 2HO' G 10 2.361 -14.521 -16.807 106 H1* G 10 H1' G 10 2.622 -13.271 -15.275 107 H8 G 10 H8 G 10 6.086 -11.710 -14.763 108 H1 G 10 H1 G 10 1.244 -7.499 -14.823 109 1H2 G 10 H21 G 10 -0.612 -8.488 -15.540 110 2H2 G 10 H22 G 10 -0.696 -10.219 -15.786 111 1H5* U 11 H5' U 11 3.974 -14.715 -21.114 112 2H5* U 11 H5'' U 11 5.041 -13.926 -22.294 113 H4* U 11 H4' U 11 2.513 -13.358 -22.341 114 H3* U 11 H3' U 11 4.676 -11.182 -22.287 115 H2* U 11 H2' U 11 2.878 -9.610 -22.493 116 2HO* U 11 2HO' U 11 1.151 -11.831 -22.940 117 H1* U 11 H1' U 11 1.144 -10.876 -20.733 118 H3 U 11 H3 U 11 2.428 -7.012 -18.643 119 H5 U 11 H5 U 11 5.556 -9.751 -17.918 120 H6 U 11 H6 U 11 4.506 -11.259 -19.509 121 1H5* C 12 H5' C 12 1.358 -9.613 -24.468 122 2H5* C 12 H5'' C 12 1.987 -9.651 -26.126 123 H4* C 12 H4' C 12 0.992 -7.509 -25.858 124 H3* C 12 H3' C 12 4.014 -7.260 -25.432 125 H2* C 12 H2' C 12 3.601 -4.866 -25.295 126 2HO* C 12 2HO' C 12 1.586 -5.547 -26.936 127 H1* C 12 H1' C 12 1.240 -5.104 -23.821 128 1H4 C 12 H41 C 12 6.034 -3.583 -19.875 129 2H4 C 12 H42 C 12 6.127 -5.260 -19.384 130 H5 C 12 H5 C 12 4.690 -6.996 -20.380 131 H6 C 12 H6 C 12 3.044 -7.456 -22.113 132 1H5* U 13 H5' U 13 3.908 -3.902 -27.462 133 2H5* U 13 H5'' U 13 5.428 -3.919 -28.376 134 H4* U 13 H4' U 13 5.210 -2.267 -26.404 135 H3* U 13 H3' U 13 7.599 -4.133 -26.760 136 H2* U 13 H2' U 13 8.515 -3.277 -24.730 137 2HO* U 13 2HO' U 13 7.800 -1.245 -23.903 138 H1* U 13 H1' U 13 6.061 -2.742 -23.400 139 H3 U 13 H3 U 13 9.105 -5.706 -21.268 140 H5 U 13 H5 U 13 5.996 -7.926 -23.053 141 H6 U 13 H6 U 13 5.308 -5.897 -24.194 142 1H5* U 14 H5' U 14 11.139 -1.372 -26.436 143 2H5* U 14 H5'' U 14 9.402 -1.218 -26.104 144 H4* U 14 H4' U 14 10.889 0.312 -28.250 145 H3* U 14 H3' U 14 11.117 0.941 -25.542 146 H2* U 14 H2' U 14 8.785 1.446 -25.177 147 2HO* U 14 2HO' U 14 9.061 3.506 -24.791 148 H1* U 14 H1' U 14 8.669 2.697 -27.957 149 H3 U 14 H3 U 14 4.210 3.370 -27.585 150 H5 U 14 H5 U 14 4.782 -0.199 -25.414 151 H6 U 14 H6 U 14 7.158 -0.038 -25.907 152 1H5* C 15 H5' C 15 13.805 3.253 -23.936 153 2H5* C 15 H5'' C 15 14.169 1.556 -23.567 154 H4* C 15 H4' C 15 11.671 3.140 -22.946 155 H3* C 15 H3' C 15 13.766 2.503 -21.245 156 H2* C 15 H2' C 15 13.477 0.059 -21.568 157 2HO* C 15 2HO' C 15 13.357 -0.063 -19.441 158 H1* C 15 H1' C 15 10.491 0.563 -21.244 159 1H4 C 15 H41 C 15 11.540 -5.757 -22.412 160 2H4 C 15 H42 C 15 11.135 -5.395 -24.075 161 H5 C 15 H5 C 15 10.858 -3.078 -24.877 162 H6 C 15 H6 C 15 10.776 -0.764 -24.233 163 1H5* G 16 H5' G 16 9.981 2.397 -16.721 164 2H5* G 16 H5'' G 16 8.972 1.346 -17.733 165 H4* G 16 H4' G 16 9.676 4.256 -18.214 166 H3* G 16 H3' G 16 7.040 2.802 -17.664 167 H2* G 16 H2' G 16 5.985 4.574 -18.967 168 2HO* G 16 2HO' G 16 7.009 6.425 -18.424 169 H1* G 16 H1' G 16 7.855 4.548 -20.989 170 H8 G 16 H8 G 16 4.972 3.933 -21.366 171 H1 G 16 H1 G 16 7.180 -2.088 -21.463 172 1H2 G 16 H21 G 16 9.171 -2.183 -20.495 173 2H2 G 16 H22 G 16 9.877 -0.793 -19.701 174 1H5* G 17 H5' G 17 4.176 6.316 -15.752 175 2H5* G 17 H5'' G 17 3.605 4.940 -14.794 176 H4* G 17 H4' G 17 2.577 5.700 -17.251 177 H3* G 17 H3' G 17 2.565 2.925 -15.931 178 H2* G 17 H2' G 17 1.354 2.201 -17.920 179 2HO* G 17 2HO' G 17 1.344 4.965 -18.671 180 H1* G 17 H1' G 17 3.073 3.427 -19.691 181 H8 G 17 H8 G 17 4.930 2.244 -16.587 182 H1 G 17 H1 G 17 3.721 -2.437 -20.791 183 1H2 G 17 H21 G 17 2.417 -1.677 -22.420 184 2H2 G 17 H22 G 17 1.696 -0.083 -22.355 185 1H5* A 18 H5' A 18 -0.817 3.094 -17.459 186 2H5* A 18 H5'' A 18 -2.219 3.058 -16.374 187 H4* A 18 H4' A 18 -2.664 1.382 -17.965 188 H3* A 18 H3' A 18 -1.375 0.035 -15.529 189 H2* A 18 H2' A 18 -1.784 -2.045 -16.691 190 2HO* A 18 2HO' A 18 -3.027 -1.572 -18.871 191 H1* A 18 H1' A 18 -1.127 -1.076 -19.235 192 H8 A 18 H8 A 18 1.431 0.107 -16.676 193 1H6 A 18 H61 A 18 4.119 -5.442 -17.353 194 2H6 A 18 H62 A 18 4.340 -3.806 -16.769 195 H2 A 18 H2 A 18 0.221 -5.525 -19.529 196 1H5* C 19 H5' C 19 -4.762 -1.806 -16.550 197 2H5* C 19 H5'' C 19 -5.903 -2.292 -15.280 198 H4* C 19 H4' C 19 -5.384 -4.243 -16.572 199 H3* C 19 H3' C 19 -3.856 -4.249 -13.914 200 H2* C 19 H2' C 19 -3.042 -6.421 -14.563 201 2HO* C 19 2HO' C 19 -4.079 -7.317 -16.605 202 H1* C 19 H1' C 19 -2.761 -5.843 -17.295 203 1H4 C 19 H41 C 19 3.111 -5.526 -14.822 204 2H4 C 19 H42 C 19 2.765 -3.993 -14.051 205 H5 C 19 H5 C 19 0.486 -3.053 -13.967 206 H6 C 19 H6 C 19 -1.798 -3.316 -14.777 207 1H5* C 20 H5' C 20 -6.952 -7.650 -14.031 208 2H5* C 20 H5'' C 20 -7.388 -8.121 -12.376 209 H4* C 20 H4' C 20 -6.482 -9.970 -13.878 210 H3* C 20 H3' C 20 -5.162 -9.345 -11.188 211 H2* C 20 H2' C 20 -3.653 -11.184 -11.627 212 2HO* C 20 2HO' C 20 -4.212 -12.353 -13.770 213 H1* C 20 H1' C 20 -3.234 -10.622 -14.304 214 1H4 C 20 H41 C 20 1.553 -7.807 -11.184 215 2H4 C 20 H42 C 20 0.559 -6.409 -10.844 216 H5 C 20 H5 C 20 -1.782 -6.251 -11.599 217 H6 C 20 H6 C 20 -3.630 -7.487 -12.602 218 1H5* G 21 H5' G 21 -6.329 -13.476 -11.170 219 2H5* G 21 H5'' G 21 -6.779 -14.085 -9.565 220 H4* G 21 H4' G 21 -4.805 -15.243 -10.609 221 H3* G 21 H3' G 21 -4.408 -13.789 -7.945 222 H2* G 21 H2' G 21 -2.142 -14.646 -7.984 223 2HO* G 21 2HO' G 21 -2.400 -16.116 -10.315 224 H1* G 21 H1' G 21 -1.697 -14.223 -10.692 225 H8 G 21 H8 G 21 -3.595 -11.255 -9.313 226 H1 G 21 H1 G 21 2.675 -11.153 -7.935 227 1H2 G 21 H21 G 21 3.602 -13.098 -8.482 228 2H2 G 21 H22 G 21 2.651 -14.447 -9.059 229 1H5* G 22 H5' G 22 -4.303 -18.241 -6.852 230 2H5* G 22 H5'' G 22 -4.978 -18.432 -5.220 231 H4* G 22 H4' G 22 -2.559 -19.108 -5.456 232 H3* G 22 H3' G 22 -3.362 -16.935 -3.476 233 H2* G 22 H2' G 22 -1.038 -16.742 -2.846 234 2HO* G 22 2HO' G 22 -0.904 -19.200 -3.032 235 H1* G 22 H1' G 22 0.021 -16.887 -5.394 236 H8 G 22 H8 G 22 -3.066 -14.852 -5.881 237 H1 G 22 H1 G 22 1.565 -11.607 -2.832 238 1H2 G 22 H21 G 22 3.168 -13.004 -2.185 239 2H2 G 22 H22 G 22 3.070 -14.726 -2.476 240 1H5* C 23 H5' C 23 -2.100 -19.318 0.096 241 2H5* C 23 H5'' C 23 -3.575 -18.984 1.026 242 H4* C 23 H4' C 23 -1.418 -17.939 1.901 243 H3* C 23 H3' C 23 -3.871 -16.216 1.281 244 H2* C 23 H2' C 23 -2.602 -14.313 2.059 245 2HO* C 23 2HO' C 23 -0.297 -15.587 2.786 246 H1* C 23 H1' C 23 -0.203 -15.008 0.860 247 1H4 C 23 H41 C 23 -3.158 -10.989 -3.112 248 2H4 C 23 H42 C 23 -3.958 -12.327 -3.904 249 H5 C 23 H5 C 23 -3.721 -14.649 -3.124 250 H6 C 23 H6 C 23 -2.749 -16.079 -1.399 251 1H5* U 24 H5' U 24 -4.167 -15.579 5.917 252 2H5* U 24 H5'' U 24 -5.906 -15.229 5.949 253 H4* U 24 H4' U 24 -4.114 -13.325 6.432 254 H3* U 24 H3' U 24 -6.661 -13.010 4.760 255 H2* U 24 H2' U 24 -6.025 -10.719 4.411 256 2HO* U 24 2HO' U 24 -3.936 -10.201 5.817 257 H1* U 24 H1' U 24 -3.251 -11.165 4.232 258 H3 U 24 H3 U 24 -4.886 -9.462 0.268 259 H5 U 24 H5 U 24 -5.459 -13.638 0.057 260 H6 U 24 H6 U 24 -4.836 -13.768 2.403 261 1H5* U 25 H5' U 25 -5.884 -10.266 7.718 262 2H5* U 25 H5'' U 25 -7.134 -9.791 8.886 263 H4* U 25 H4' U 25 -5.935 -7.822 8.089 264 H3* U 25 H3' U 25 -8.824 -8.070 7.119 265 H2* U 25 H2' U 25 -8.528 -5.976 5.950 266 2HO* U 25 2HO' U 25 -6.597 -4.729 6.339 267 H1* U 25 H1' U 25 -6.002 -6.495 4.961 268 H3 U 25 H3 U 25 -8.842 -6.831 1.381 269 H5 U 25 H5 U 25 -9.261 -10.494 3.430 270 H6 U 25 H6 U 25 -7.895 -9.568 5.214 271 1H5* C 26 H5' C 26 -8.097 -4.401 8.199 272 2H5* C 26 H5'' C 26 -9.138 -3.604 9.395 273 H4* C 26 H4' C 26 -8.844 -2.222 7.375 274 H3* C 26 H3' C 26 -11.654 -3.312 7.891 275 H2* C 26 H2' C 26 -12.382 -2.213 5.892 276 2HO* C 26 2HO' C 26 -11.657 -0.195 5.973 277 H1* C 26 H1' C 26 -9.992 -2.526 4.413 278 1H4 C 26 H41 C 26 -14.100 -6.717 1.962 279 2H4 C 26 H42 C 26 -13.778 -7.850 3.256 280 H5 C 26 H5 C 26 -12.190 -7.345 5.074 281 H6 C 26 H6 C 26 -10.819 -5.595 6.082 282 1H5* C 27 H5' C 27 -15.011 0.046 8.979 283 2H5* C 27 H5'' C 27 -14.801 -1.619 8.397 284 H4* C 27 H4' C 27 -15.106 0.834 6.629 285 H3* C 27 H3' C 27 -17.078 -1.343 7.450 286 H2* C 27 H2' C 27 -18.044 -1.192 5.259 287 2HO* C 27 2HO' C 27 -18.105 0.951 4.813 288 H1* C 27 H1' C 27 -15.635 -1.118 3.908 289 1H4 C 27 H41 C 27 -17.523 -7.228 4.373 290 2H4 C 27 H42 C 27 -16.274 -7.476 5.572 291 H5 C 27 H5 C 27 -14.910 -5.629 6.456 292 H6 C 27 H6 C 27 -14.552 -3.216 6.392 293 H3T C 27 H3T C 27 -17.085 0.944 8.227
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