NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4482 | 1f7h | 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 31.712 -9.842 -0.264 2 2H5* G 1 H5'' G 1 31.488 -9.909 -2.024 3 H4* G 1 H4' G 1 29.548 -10.771 -0.634 4 H3* G 1 H3' G 1 29.172 -8.552 -2.694 5 H2* G 1 H2' G 1 26.906 -8.318 -2.037 6 2HO* G 1 2HO' G 1 26.282 -10.285 -0.474 7 H1* G 1 H1' G 1 27.170 -9.005 0.684 8 H8 G 1 H8 G 1 28.242 -6.388 -1.962 9 H1 G 1 H1 G 1 26.286 -3.996 3.668 10 1H2 G 1 H21 G 1 26.027 -5.646 5.139 11 2H2 G 1 H22 G 1 26.144 -7.326 4.668 12 H5T G 1 H5T G 1 31.940 -7.879 -1.973 13 1H5* G 2 H5' G 2 26.879 -13.037 -3.114 14 2H5* G 2 H5'' G 2 25.714 -12.885 -4.446 15 H4* G 2 H4' G 2 24.928 -13.784 -2.093 16 H3* G 2 H3' G 2 23.440 -11.817 -3.883 17 H2* G 2 H2' G 2 21.785 -11.500 -2.168 18 2HO* G 2 2HO' G 2 22.653 -13.233 -0.274 19 H1* G 2 H1' G 2 23.479 -11.411 0.005 20 H8 G 2 H8 G 2 25.260 -9.689 -2.836 21 H1 G 2 H1 G 2 20.742 -6.048 -0.090 22 1H2 G 2 H21 G 2 19.476 -7.290 1.247 23 2H2 G 2 H22 G 2 19.830 -8.976 1.554 24 1H5* A 3 H5' A 3 20.492 -13.681 -1.664 25 2H5* A 3 H5'' A 3 19.435 -14.524 -2.816 26 H4* A 3 H4' A 3 18.129 -13.108 -1.294 27 H3* A 3 H3' A 3 18.211 -12.176 -4.211 28 H2* A 3 H2' A 3 16.739 -10.378 -3.573 29 2HO* A 3 2HO' A 3 16.341 -11.018 -0.948 30 H1* A 3 H1' A 3 17.933 -9.828 -1.112 31 H8 A 3 H8 A 3 20.502 -10.515 -3.862 32 1H6 A 3 H61 A 3 20.079 -4.470 -5.159 33 2H6 A 3 H62 A 3 20.900 -5.965 -5.548 34 H2 A 3 H2 A 3 16.863 -5.477 -2.228 35 1H5* A 4 H5' A 4 14.554 -11.785 -2.454 36 2H5* A 4 H5'' A 4 13.229 -12.543 -3.358 37 H4* A 4 H4' A 4 12.635 -10.266 -2.664 38 H3* A 4 H3' A 4 13.037 -10.648 -5.676 39 H2* A 4 H2' A 4 12.437 -8.337 -5.942 40 2HO* A 4 2HO' A 4 11.624 -7.305 -3.816 41 H1* A 4 H1' A 4 13.646 -7.401 -3.573 42 H8 A 4 H8 A 4 15.905 -9.689 -5.653 43 1H6 A 4 H61 A 4 17.610 -4.510 -8.617 44 2H6 A 4 H62 A 4 17.885 -6.232 -8.472 45 H2 A 4 H2 A 4 14.151 -3.522 -5.973 46 1H5* G 5 H5' G 5 9.521 -8.367 -4.384 47 2H5* G 5 H5'' G 5 8.102 -8.904 -5.306 48 H4* G 5 H4' G 5 8.559 -6.364 -5.116 49 H3* G 5 H3' G 5 7.320 -7.795 -7.253 50 H2* G 5 H2' G 5 9.196 -7.560 -8.769 51 2HO* G 5 2HO' G 5 7.417 -6.289 -9.587 52 H1* G 5 H1' G 5 9.741 -4.832 -7.508 53 H8 G 5 H8 G 5 11.833 -8.057 -8.188 54 H1 G 5 H1 G 5 13.899 -2.725 -11.104 55 1H2 G 5 H21 G 5 12.493 -1.053 -10.715 56 2H2 G 5 H22 G 5 11.067 -1.250 -9.723 57 1H5* U 6 H5' U 6 3.941 -2.915 -5.699 58 2H5* U 6 H5'' U 6 3.639 -4.579 -6.238 59 H4* U 6 H4' U 6 3.481 -3.064 -8.129 60 H3* U 6 H3' U 6 5.129 -5.322 -8.256 61 H2* U 6 H2' U 6 7.259 -4.276 -8.082 62 2HO* U 6 2HO' U 6 7.225 -4.949 -10.237 63 H1* U 6 H1' U 6 6.436 -1.727 -9.446 64 H3 U 6 H3 U 6 10.369 -0.093 -7.890 65 H5 U 6 H5 U 6 8.728 -2.009 -4.508 66 H6 U 6 H6 U 6 6.882 -2.739 -5.909 67 1H5* C 7 H5' C 7 2.963 -5.056 -12.874 68 2H5* C 7 H5'' C 7 4.540 -5.095 -12.060 69 H4* C 7 H4' C 7 3.905 -3.686 -14.678 70 H3* C 7 H3' C 7 5.440 -6.263 -14.058 71 H2* C 7 H2' C 7 6.914 -5.696 -15.869 72 2HO* C 7 2HO' C 7 6.192 -4.633 -17.580 73 H1* C 7 H1' C 7 6.893 -2.906 -15.452 74 1H4 C 7 H41 C 7 12.417 -5.123 -13.154 75 2H4 C 7 H42 C 7 11.657 -5.512 -11.626 76 H5 C 7 H5 C 7 9.219 -5.365 -11.292 77 H6 C 7 H6 C 7 7.106 -4.728 -12.338 78 1H5* C 8 H5' C 8 3.737 -5.850 -18.301 79 2H5* C 8 H5'' C 8 2.949 -7.390 -18.700 80 H4* C 8 H4' C 8 4.120 -6.593 -20.657 81 H3* C 8 H3' C 8 5.517 -8.950 -19.289 82 H2* C 8 H2' C 8 7.171 -8.861 -21.048 83 2HO* C 8 2HO' C 8 5.071 -7.924 -22.430 84 H1* C 8 H1' C 8 7.407 -6.098 -21.129 85 1H4 C 8 H41 C 8 11.961 -8.331 -17.239 86 2H4 C 8 H42 C 8 10.891 -8.164 -15.864 87 H5 C 8 H5 C 8 8.481 -7.699 -16.127 88 H6 C 8 H6 C 8 6.739 -7.110 -17.734 89 1H5* G 9 H5' G 9 5.262 -9.744 -23.492 90 2H5* G 9 H5'' G 9 4.829 -11.441 -23.777 91 H4* G 9 H4' G 9 6.932 -10.730 -24.928 92 H3* G 9 H3' G 9 7.147 -12.925 -22.799 93 H2* G 9 H2' G 9 9.484 -13.066 -23.353 94 2HO* G 9 2HO' G 9 10.192 -11.832 -25.304 95 H1* G 9 H1' G 9 9.879 -10.313 -23.789 96 H8 G 9 H8 G 9 7.898 -11.044 -20.607 97 H1 G 9 H1 G 9 14.267 -11.511 -19.931 98 1H2 G 9 H21 G 9 15.242 -11.475 -21.933 99 2H2 G 9 H22 G 9 14.338 -11.137 -23.391 100 1H5* G 10 H5' G 10 10.072 -13.709 -25.804 101 2H5* G 10 H5'' G 10 9.395 -15.144 -26.601 102 H4* G 10 H4' G 10 11.579 -15.842 -26.263 103 H3* G 10 H3' G 10 10.132 -16.571 -23.656 104 H2* G 10 H2' G 10 12.242 -17.439 -22.892 105 2HO* G 10 2HO' G 10 13.286 -18.532 -24.378 106 H1* G 10 H1' G 10 13.839 -15.439 -24.046 107 H8 G 10 H8 G 10 10.541 -14.805 -22.048 108 H1 G 10 H1 G 10 16.006 -14.020 -18.777 109 1H2 G 10 H21 G 10 17.734 -14.631 -20.034 110 2H2 G 10 H22 G 10 17.548 -15.015 -21.730 111 1H5* U 11 H5' U 11 12.166 -20.675 -25.620 112 2H5* U 11 H5'' U 11 11.184 -21.826 -24.693 113 H4* U 11 H4' U 11 13.791 -21.993 -24.589 114 H3* U 11 H3' U 11 12.002 -22.066 -22.096 115 H2* U 11 H2' U 11 14.027 -22.438 -20.850 116 2HO* U 11 2HO' U 11 14.928 -23.223 -23.359 117 H1* U 11 H1' U 11 15.537 -20.531 -22.146 118 H3 U 11 H3 U 11 14.645 -18.535 -18.138 119 H5 U 11 H5 U 11 11.044 -18.181 -20.311 120 H6 U 11 H6 U 11 12.020 -19.608 -22.019 121 1H5* C 12 H5' C 12 15.464 -24.385 -21.195 122 2H5* C 12 H5'' C 12 14.803 -26.025 -21.323 123 H4* C 12 H4' C 12 16.076 -26.035 -19.338 124 H3* C 12 H3' C 12 13.152 -25.513 -18.563 125 H2* C 12 H2' C 12 13.958 -25.706 -16.270 126 2HO* C 12 2HO' C 12 15.377 -27.520 -16.853 127 H1* C 12 H1' C 12 16.257 -24.209 -16.706 128 1H4 C 12 H41 C 12 11.684 -20.405 -14.325 129 2H4 C 12 H42 C 12 11.507 -19.698 -15.916 130 H5 C 12 H5 C 12 12.682 -20.587 -17.886 131 H6 C 12 H6 C 12 14.222 -22.298 -18.672 132 1H5* U 13 H5' U 13 13.818 -28.042 -15.623 133 2H5* U 13 H5'' U 13 12.296 -28.927 -15.414 134 H4* U 13 H4' U 13 12.943 -27.238 -13.591 135 H3* U 13 H3' U 13 10.211 -27.071 -14.974 136 H2* U 13 H2' U 13 9.704 -25.323 -13.397 137 2HO* U 13 2HO' U 13 11.689 -25.090 -11.768 138 H1* U 13 H1' U 13 12.290 -24.178 -13.411 139 H3 U 13 H3 U 13 8.719 -21.534 -15.061 140 H5 U 13 H5 U 13 10.935 -23.045 -18.317 141 H6 U 13 H6 U 13 12.090 -24.508 -16.759 142 1H5* U 14 H5' U 14 8.749 -27.026 -10.190 143 2H5* U 14 H5'' U 14 10.221 -27.711 -10.892 144 H4* U 14 H4' U 14 8.058 -29.172 -9.393 145 H3* U 14 H3' U 14 10.238 -28.025 -8.169 146 H2* U 14 H2' U 14 11.952 -29.218 -9.392 147 2HO* U 14 2HO' U 14 12.611 -30.008 -7.532 148 H1* U 14 H1' U 14 10.322 -31.776 -9.265 149 H3 U 14 H3 U 14 13.123 -33.838 -12.152 150 H5 U 14 H5 U 14 13.240 -29.837 -13.475 151 H6 U 14 H6 U 14 11.703 -29.271 -11.685 152 1H5* C 15 H5' C 15 9.724 -27.283 -3.969 153 2H5* C 15 H5'' C 15 8.145 -26.859 -4.662 154 H4* C 15 H4' C 15 9.763 -24.931 -4.134 155 H3* C 15 H3' C 15 7.816 -24.898 -6.065 156 H2* C 15 H2' C 15 9.270 -25.990 -7.741 157 2HO* C 15 2HO' C 15 8.300 -23.876 -8.393 158 H1* C 15 H1' C 15 11.340 -23.888 -6.919 159 1H4 C 15 H41 C 15 15.743 -27.737 -9.561 160 2H4 C 15 H42 C 15 14.670 -27.875 -10.936 161 H5 C 15 H5 C 15 12.381 -26.995 -10.908 162 H6 C 15 H6 C 15 10.686 -25.903 -9.553 163 1H5* G 16 H5' G 16 9.041 -19.556 -6.150 164 2H5* G 16 H5'' G 16 10.031 -19.387 -7.613 165 H4* G 16 H4' G 16 10.805 -20.294 -4.906 166 H3* G 16 H3' G 16 12.355 -19.329 -7.372 167 H2* G 16 H2' G 16 14.335 -20.227 -6.302 168 2HO* G 16 2HO' G 16 13.104 -21.205 -4.041 169 H1* G 16 H1' G 16 13.181 -22.612 -5.567 170 H8 G 16 H8 G 16 15.476 -22.260 -7.422 171 H1 G 16 H1 G 16 10.978 -22.976 -11.929 172 1H2 G 16 H21 G 16 8.987 -22.479 -11.116 173 2H2 G 16 H22 G 16 8.736 -22.200 -9.405 174 1H5* G 17 H5' G 17 14.320 -18.199 -4.822 175 2H5* G 17 H5'' G 17 15.358 -16.797 -4.514 176 H4* G 17 H4' G 17 16.798 -18.301 -5.582 177 H3* G 17 H3' G 17 15.645 -16.487 -7.768 178 H2* G 17 H2' G 17 17.083 -17.695 -9.304 179 2HO* G 17 2HO' G 17 18.197 -19.108 -7.101 180 H1* G 17 H1' G 17 16.533 -20.212 -8.292 181 H8 G 17 H8 G 17 13.713 -17.568 -8.430 182 H1 G 17 H1 G 17 14.049 -21.415 -13.526 183 1H2 G 17 H21 G 17 15.750 -22.818 -13.328 184 2H2 G 17 H22 G 17 16.932 -22.651 -12.045 185 1H5* A 18 H5' A 18 19.655 -17.364 -8.294 186 2H5* A 18 H5'' A 18 20.551 -16.025 -9.036 187 H4* A 18 H4' A 18 20.524 -18.267 -10.283 188 H3* A 18 H3' A 18 19.643 -15.695 -11.705 189 H2* A 18 H2' A 18 19.489 -17.055 -13.689 190 2HO* A 18 2HO' A 18 20.550 -19.352 -12.515 191 H1* A 18 H1' A 18 18.515 -19.357 -12.386 192 H8 A 18 H8 A 18 16.457 -16.464 -11.175 193 1H6 A 18 H61 A 18 13.261 -16.935 -16.470 194 2H6 A 18 H62 A 18 13.355 -16.128 -14.921 195 H2 A 18 H2 A 18 16.929 -19.460 -16.841 196 1H5* C 19 H5' C 19 21.934 -17.403 -14.255 197 2H5* C 19 H5'' C 19 23.428 -16.512 -14.607 198 H4* C 19 H4' C 19 22.647 -16.941 -16.751 199 H3* C 19 H3' C 19 21.341 -14.284 -15.947 200 H2* C 19 H2' C 19 20.299 -14.295 -18.122 201 2HO* C 19 2HO' C 19 22.243 -16.305 -18.713 202 H1* C 19 H1' C 19 19.824 -17.071 -18.218 203 1H4 C 19 H41 C 19 14.245 -14.461 -16.557 204 2H4 C 19 H42 C 19 14.830 -14.087 -14.950 205 H5 C 19 H5 C 19 17.201 -14.345 -14.327 206 H6 C 19 H6 C 19 19.365 -15.195 -15.065 207 1H5* C 20 H5' C 20 21.930 -13.696 -19.810 208 2H5* C 20 H5'' C 20 23.344 -12.631 -19.951 209 H4* C 20 H4' C 20 21.906 -11.593 -21.434 210 H3* C 20 H3' C 20 21.187 -10.377 -18.714 211 H2* C 20 H2' C 20 19.486 -9.114 -19.854 212 2HO* C 20 2HO' C 20 19.975 -9.758 -22.437 213 H1* C 20 H1' C 20 18.795 -11.120 -21.723 214 1H4 C 20 H41 C 20 14.111 -11.363 -17.426 215 2H4 C 20 H42 C 20 15.187 -11.966 -16.185 216 H5 C 20 H5 C 20 17.574 -12.413 -16.624 217 H6 C 20 H6 C 20 19.375 -12.153 -18.251 218 1H5* G 21 H5' G 21 20.628 -7.166 -21.599 219 2H5* G 21 H5'' G 21 21.866 -6.012 -21.058 220 H4* G 21 H4' G 21 20.033 -4.611 -21.058 221 H3* G 21 H3' G 21 19.911 -5.989 -18.332 222 H2* G 21 H2' G 21 17.844 -4.863 -17.941 223 2HO* G 21 2HO' G 21 17.412 -3.136 -19.774 224 H1* G 21 H1' G 21 16.914 -4.861 -20.611 225 H8 G 21 H8 G 21 18.172 -7.654 -18.168 226 H1 G 21 H1 G 21 11.945 -7.816 -19.712 227 1H2 G 21 H21 G 21 11.491 -6.235 -21.209 228 2H2 G 21 H22 G 21 12.676 -5.029 -21.661 229 1H5* G 22 H5' G 22 20.030 -1.643 -19.241 230 2H5* G 22 H5'' G 22 20.758 -0.552 -18.044 231 H4* G 22 H4' G 22 18.819 0.513 -19.066 232 H3* G 22 H3' G 22 18.491 -0.304 -16.147 233 H2* G 22 H2' G 22 16.224 0.532 -16.216 234 2HO* G 22 2HO' G 22 15.567 1.975 -17.730 235 H1* G 22 H1' G 22 15.531 -0.500 -18.668 236 H8 G 22 H8 G 22 17.916 -2.841 -16.817 237 H1 G 22 H1 G 22 11.758 -3.486 -15.117 238 1H2 G 22 H21 G 22 10.533 -1.909 -16.093 239 2H2 G 22 H22 G 22 11.266 -0.592 -16.981 240 1H5* C 23 H5' C 23 17.709 3.760 -15.759 241 2H5* C 23 H5'' C 23 18.573 4.495 -14.393 242 H4* C 23 H4' C 23 16.158 4.543 -14.009 243 H3* C 23 H3' C 23 17.723 2.617 -12.214 244 H2* C 23 H2' C 23 15.627 2.119 -11.112 245 2HO* C 23 2HO' C 23 14.259 4.054 -12.652 246 H1* C 23 H1' C 23 14.093 1.975 -13.410 247 1H4 C 23 H41 C 23 15.966 -3.978 -12.078 248 2H4 C 23 H42 C 23 17.409 -3.762 -13.044 249 H5 C 23 H5 C 23 18.053 -1.575 -13.979 250 H6 C 23 H6 C 23 17.385 0.760 -14.217 251 1H5* U 24 H5' U 24 16.499 5.648 -8.940 252 2H5* U 24 H5'' U 24 17.868 5.489 -7.822 253 H4* U 24 H4' U 24 15.464 4.691 -7.095 254 H3* U 24 H3' U 24 18.046 3.113 -6.619 255 H2* U 24 H2' U 24 16.698 1.445 -5.540 256 2HO* U 24 2HO' U 24 15.007 3.653 -5.196 257 H1* U 24 H1' U 24 14.460 1.675 -7.229 258 H3 U 24 H3 U 24 16.373 -2.539 -7.344 259 H5 U 24 H5 U 24 18.269 -0.271 -10.354 260 H6 U 24 H6 U 24 17.188 1.706 -9.439 261 1H5* U 25 H5' U 25 15.747 4.067 -2.665 262 2H5* U 25 H5'' U 25 16.779 3.583 -1.303 263 H4* U 25 H4' U 25 14.460 2.359 -1.792 264 H3* U 25 H3' U 25 17.066 1.043 -0.875 265 H2* U 25 H2' U 25 15.925 -1.083 -0.968 266 2HO* U 25 2HO' U 25 13.969 -0.797 -0.101 267 H1* U 25 H1' U 25 14.563 -0.637 -3.333 268 H3 U 25 H3 U 25 17.846 -3.718 -4.219 269 H5 U 25 H5 U 25 19.803 0.019 -4.316 270 H6 U 25 H6 U 25 17.752 1.029 -3.490 271 1H5* C 26 H5' C 26 14.447 -0.417 1.799 272 2H5* C 26 H5'' C 26 14.769 -0.036 3.503 273 H4* C 26 H4' C 26 14.577 -2.422 3.314 274 H3* C 26 H3' C 26 17.481 -1.505 3.600 275 H2* C 26 H2' C 26 18.144 -3.807 3.494 276 2HO* C 26 2HO' C 26 15.610 -4.917 3.538 277 H1* C 26 H1' C 26 16.199 -4.652 1.638 278 1H4 C 26 H41 C 26 21.704 -4.037 -1.531 279 2H4 C 26 H42 C 26 21.332 -2.362 -1.875 280 H5 C 26 H5 C 26 19.463 -1.183 -0.785 281 H6 C 26 H6 C 26 17.525 -1.454 0.671 282 1H5* C 27 H5' C 27 17.823 -4.678 5.678 283 2H5* C 27 H5'' C 27 17.561 -4.241 7.378 284 H4* C 27 H4' C 27 19.369 -5.712 7.511 285 H3* C 27 H3' C 27 20.569 -2.921 7.170 286 H2* C 27 H2' C 27 22.719 -3.945 7.361 287 2HO* C 27 2HO' C 27 21.583 -5.466 9.077 288 H1* C 27 H1' C 27 22.053 -6.228 5.867 289 1H4 C 27 H41 C 27 25.292 -2.225 2.087 290 2H4 C 27 H42 C 27 23.780 -1.582 1.483 291 H5 C 27 H5 C 27 21.597 -2.372 2.310 292 H6 C 27 H6 C 27 20.492 -3.724 4.014 293 H3T C 27 H3T C 27 20.222 -4.771 9.324 294 1HN1 NCO 28 1HN1 NCO 28 13.129 -10.307 -14.327 295 2HN1 NCO 28 2HN1 NCO 28 14.281 -11.398 -13.972 296 3HN1 NCO 28 3HN1 NCO 28 12.724 -11.859 -14.055 297 1HN2 NCO 28 1HN2 NCO 28 13.508 -9.573 -9.574 298 2HN2 NCO 28 2HN2 NCO 28 11.948 -10.027 -9.660 299 3HN2 NCO 28 3HN2 NCO 28 13.096 -11.123 -9.305 300 1HN3 NCO 28 1HN3 NCO 28 11.000 -11.778 -10.885 301 2HN3 NCO 28 2HN3 NCO 28 10.648 -11.087 -12.316 302 3HN3 NCO 28 3HN3 NCO 28 11.394 -12.532 -12.271 303 1HN4 NCO 28 1HN4 NCO 28 14.535 -12.801 -12.131 304 2HN4 NCO 28 2HN4 NCO 28 14.632 -12.338 -10.575 305 3HN4 NCO 28 3HN4 NCO 28 13.323 -13.147 -11.103 306 1HN5 NCO 28 1HN5 NCO 28 14.837 -8.896 -11.358 307 2HN5 NCO 28 2HN5 NCO 28 15.581 -10.342 -11.315 308 3HN5 NCO 28 3HN5 NCO 28 15.230 -9.650 -12.745 309 1HN6 NCO 28 1HN6 NCO 28 11.596 -9.091 -13.054 310 2HN6 NCO 28 2HN6 NCO 28 11.697 -8.624 -11.500 311 3HN6 NCO 28 3HN6 NCO 28 12.907 -8.283 -12.532 Start of MODEL 2 1 1H5* G 1 H5' G 1 33.321 -5.419 -3.912 2 2H5* G 1 H5'' G 1 32.949 -6.466 -5.298 3 H4* G 1 H4' G 1 31.450 -7.054 -3.516 4 H3* G 1 H3' G 1 30.120 -5.449 -5.742 5 H2* G 1 H2' G 1 28.108 -5.369 -4.500 6 2HO* G 1 2HO' G 1 27.860 -6.914 -2.689 7 H1* G 1 H1' G 1 29.196 -5.381 -1.901 8 H8 G 1 H8 G 1 29.039 -3.301 -5.169 9 H1 G 1 H1 G 1 28.050 -0.026 0.266 10 1H2 G 1 H21 G 1 28.479 -1.325 2.019 11 2H2 G 1 H22 G 1 28.859 -3.023 1.841 12 H5T G 1 H5T G 1 31.877 -4.776 -6.266 13 1H5* G 2 H5' G 2 28.592 -10.245 -4.822 14 2H5* G 2 H5'' G 2 27.075 -10.411 -5.729 15 H4* G 2 H4' G 2 27.176 -10.951 -3.129 16 H3* G 2 H3' G 2 24.932 -9.547 -4.643 17 H2* G 2 H2' G 2 23.805 -9.114 -2.565 18 2HO* G 2 2HO' G 2 24.941 -10.161 -0.611 19 H1* G 2 H1' G 2 26.016 -8.428 -1.058 20 H8 G 2 H8 G 2 26.569 -7.044 -4.517 21 H1 G 2 H1 G 2 22.527 -3.521 -0.987 22 1H2 G 2 H21 G 2 22.034 -4.594 0.895 23 2H2 G 2 H22 G 2 22.534 -6.248 1.172 24 1H5* A 3 H5' A 3 22.858 -11.081 -1.459 25 2H5* A 3 H5'' A 3 21.960 -12.448 -2.147 26 H4* A 3 H4' A 3 20.347 -11.248 -0.922 27 H3* A 3 H3' A 3 20.196 -10.443 -3.868 28 H2* A 3 H2' A 3 18.441 -8.901 -3.293 29 2HO* A 3 2HO' A 3 18.332 -9.832 -0.629 30 H1* A 3 H1' A 3 19.517 -8.014 -0.882 31 H8 A 3 H8 A 3 21.933 -8.519 -3.869 32 1H6 A 3 H61 A 3 20.927 -2.514 -5.022 33 2H6 A 3 H62 A 3 21.840 -3.931 -5.487 34 H2 A 3 H2 A 3 18.222 -3.748 -1.687 35 1H5* A 4 H5' A 4 16.330 -11.153 -1.825 36 2H5* A 4 H5'' A 4 15.069 -11.620 -2.985 37 H4* A 4 H4' A 4 14.795 -9.438 -1.524 38 H3* A 4 H3' A 4 14.147 -9.678 -4.504 39 H2* A 4 H2' A 4 13.564 -7.354 -4.500 40 2HO* A 4 2HO' A 4 12.304 -6.925 -2.839 41 H1* A 4 H1' A 4 15.482 -6.498 -2.614 42 H8 A 4 H8 A 4 17.130 -8.682 -5.226 43 1H6 A 4 H61 A 4 17.419 -3.598 -8.768 44 2H6 A 4 H62 A 4 18.008 -5.232 -8.557 45 H2 A 4 H2 A 4 14.852 -2.676 -5.233 46 1H5* G 5 H5' G 5 9.157 -8.785 -4.945 47 2H5* G 5 H5'' G 5 10.478 -8.327 -6.042 48 H4* G 5 H4' G 5 9.159 -6.462 -4.039 49 H3* G 5 H3' G 5 7.876 -7.154 -6.375 50 H2* G 5 H2' G 5 9.731 -6.621 -7.867 51 2HO* G 5 2HO' G 5 7.770 -4.734 -7.599 52 H1* G 5 H1' G 5 10.250 -4.063 -6.308 53 H8 G 5 H8 G 5 12.647 -7.040 -6.664 54 H1 G 5 H1 G 5 13.943 -2.089 -10.541 55 1H2 G 5 H21 G 5 12.274 -0.625 -10.483 56 2H2 G 5 H22 G 5 10.936 -0.792 -9.368 57 1H5* U 6 H5' U 6 4.102 -2.491 -5.255 58 2H5* U 6 H5'' U 6 3.936 -3.954 -6.247 59 H4* U 6 H4' U 6 4.213 -1.794 -7.537 60 H3* U 6 H3' U 6 5.847 -4.256 -8.000 61 H2* U 6 H2' U 6 7.815 -3.079 -8.509 62 2HO* U 6 2HO' U 6 5.936 -2.132 -10.376 63 H1* U 6 H1' U 6 6.459 -0.387 -8.501 64 H3 U 6 H3 U 6 10.829 0.962 -8.369 65 H5 U 6 H5 U 6 10.313 -1.292 -4.840 66 H6 U 6 H6 U 6 8.107 -1.914 -5.649 67 1H5* C 7 H5' C 7 3.910 -6.410 -11.059 68 2H5* C 7 H5'' C 7 5.009 -5.162 -10.440 69 H4* C 7 H4' C 7 3.414 -4.491 -12.878 70 H3* C 7 H3' C 7 5.630 -6.586 -12.875 71 H2* C 7 H2' C 7 6.607 -5.547 -14.806 72 2HO* C 7 2HO' C 7 5.420 -4.363 -16.197 73 H1* C 7 H1' C 7 6.180 -2.899 -14.092 74 1H4 C 7 H41 C 7 12.141 -4.524 -12.406 75 2H4 C 7 H42 C 7 11.608 -4.594 -10.740 76 H5 C 7 H5 C 7 9.248 -4.295 -10.101 77 H6 C 7 H6 C 7 6.983 -4.017 -10.954 78 1H5* C 8 H5' C 8 3.855 -5.940 -17.503 79 2H5* C 8 H5'' C 8 3.450 -7.666 -17.596 80 H4* C 8 H4' C 8 4.599 -6.889 -19.636 81 H3* C 8 H3' C 8 6.064 -8.910 -17.878 82 H2* C 8 H2' C 8 7.932 -8.825 -19.395 83 2HO* C 8 2HO' C 8 6.477 -7.177 -21.183 84 H1* C 8 H1' C 8 7.945 -6.102 -19.826 85 1H4 C 8 H41 C 8 11.919 -6.967 -14.905 86 2H4 C 8 H42 C 8 10.575 -7.069 -13.789 87 H5 C 8 H5 C 8 8.245 -7.257 -14.560 88 H6 C 8 H6 C 8 6.786 -7.144 -16.511 89 1H5* G 9 H5' G 9 6.709 -9.466 -21.848 90 2H5* G 9 H5'' G 9 6.225 -11.067 -22.444 91 H4* G 9 H4' G 9 8.393 -10.547 -23.357 92 H3* G 9 H3' G 9 8.490 -12.623 -21.113 93 H2* G 9 H2' G 9 10.881 -12.729 -21.416 94 2HO* G 9 2HO' G 9 11.108 -10.967 -23.508 95 H1* G 9 H1' G 9 11.316 -10.022 -21.711 96 H8 G 9 H8 G 9 8.615 -11.030 -19.131 97 H1 G 9 H1 G 9 14.588 -10.608 -16.819 98 1H2 G 9 H21 G 9 16.024 -10.272 -18.481 99 2H2 G 9 H22 G 9 15.504 -10.149 -20.147 100 1H5* G 10 H5' G 10 10.821 -14.220 -24.830 101 2H5* G 10 H5'' G 10 10.841 -15.977 -24.570 102 H4* G 10 H4' G 10 13.101 -14.606 -24.656 103 H3* G 10 H3' G 10 12.440 -16.827 -22.657 104 H2* G 10 H2' G 10 14.639 -16.479 -21.704 105 2HO* G 10 2HO' G 10 15.357 -14.506 -23.552 106 H1* G 10 H1' G 10 14.555 -13.730 -21.710 107 H8 G 10 H8 G 10 11.068 -14.994 -20.950 108 H1 G 10 H1 G 10 15.015 -15.187 -15.895 109 1H2 G 10 H21 G 10 17.117 -14.902 -16.562 110 2H2 G 10 H22 G 10 17.508 -14.456 -18.208 111 1H5* U 11 H5' U 11 15.985 -18.027 -23.953 112 2H5* U 11 H5'' U 11 15.991 -19.546 -24.870 113 H4* U 11 H4' U 11 17.627 -19.918 -23.244 114 H3* U 11 H3' U 11 14.992 -21.005 -22.104 115 H2* U 11 H2' U 11 16.269 -21.674 -20.182 116 2HO* U 11 2HO' U 11 18.617 -21.376 -20.258 117 H1* U 11 H1' U 11 17.724 -19.345 -19.947 118 H3 U 11 H3 U 11 14.723 -18.996 -16.533 119 H5 U 11 H5 U 11 12.479 -18.085 -19.988 120 H6 U 11 H6 U 11 14.400 -18.744 -21.321 121 1H5* C 12 H5' C 12 18.159 -23.267 -20.351 122 2H5* C 12 H5'' C 12 18.011 -24.795 -21.239 123 H4* C 12 H4' C 12 18.281 -25.404 -18.965 124 H3* C 12 H3' C 12 15.289 -25.463 -19.638 125 H2* C 12 H2' C 12 15.009 -26.369 -17.397 126 2HO* C 12 2HO' C 12 17.641 -27.084 -17.849 127 H1* C 12 H1' C 12 16.884 -24.675 -16.211 128 1H4 C 12 H41 C 12 11.021 -22.324 -15.190 129 2H4 C 12 H42 C 12 11.357 -21.092 -16.385 130 H5 C 12 H5 C 12 13.402 -21.106 -17.749 131 H6 C 12 H6 C 12 15.457 -22.315 -18.233 132 1H5* U 13 H5' U 13 15.024 -28.697 -17.555 133 2H5* U 13 H5'' U 13 13.967 -29.776 -18.482 134 H4* U 13 H4' U 13 12.980 -28.884 -16.331 135 H3* U 13 H3' U 13 11.549 -28.295 -18.977 136 H2* U 13 H2' U 13 9.821 -27.273 -17.656 137 2HO* U 13 2HO' U 13 10.656 -27.764 -15.145 138 H1* U 13 H1' U 13 11.545 -26.144 -15.722 139 H3 U 13 H3 U 13 9.020 -23.147 -18.384 140 H5 U 13 H5 U 13 12.981 -23.257 -19.825 141 H6 U 13 H6 U 13 13.370 -25.174 -18.392 142 1H5* U 14 H5' U 14 7.876 -29.740 -15.970 143 2H5* U 14 H5'' U 14 9.573 -30.240 -15.952 144 H4* U 14 H4' U 14 7.156 -31.994 -16.288 145 H3* U 14 H3' U 14 8.228 -31.360 -13.838 146 H2* U 14 H2' U 14 10.470 -32.187 -14.255 147 2HO* U 14 2HO' U 14 8.863 -34.407 -13.461 148 H1* U 14 H1' U 14 9.347 -34.602 -15.717 149 H3 U 14 H3 U 14 13.448 -35.807 -17.182 150 H5 U 14 H5 U 14 13.741 -31.603 -17.030 151 H6 U 14 H6 U 14 11.451 -31.539 -16.230 152 1H5* C 15 H5' C 15 5.584 -31.939 -10.646 153 2H5* C 15 H5'' C 15 4.360 -31.210 -11.705 154 H4* C 15 H4' C 15 5.371 -29.620 -10.046 155 H3* C 15 H3' C 15 4.705 -28.901 -12.625 156 H2* C 15 H2' C 15 6.935 -29.468 -13.515 157 2HO* C 15 2HO' C 15 6.727 -27.462 -14.314 158 H1* C 15 H1' C 15 8.002 -27.922 -11.096 159 1H4 C 15 H41 C 15 13.592 -30.895 -12.075 160 2H4 C 15 H42 C 15 13.372 -30.607 -13.786 161 H5 C 15 H5 C 15 11.331 -29.572 -14.686 162 H6 C 15 H6 C 15 9.060 -28.894 -14.165 163 1H5* G 16 H5' G 16 4.486 -23.933 -10.413 164 2H5* G 16 H5'' G 16 5.976 -23.142 -10.961 165 H4* G 16 H4' G 16 5.528 -24.797 -8.589 166 H3* G 16 H3' G 16 7.863 -23.077 -9.579 167 H2* G 16 H2' G 16 9.243 -24.178 -7.936 168 2HO* G 16 2HO' G 16 6.760 -25.161 -6.908 169 H1* G 16 H1' G 16 8.259 -26.728 -8.325 170 H8 G 16 H8 G 16 11.062 -26.377 -8.662 171 H1 G 16 H1 G 16 9.646 -25.144 -14.798 172 1H2 G 16 H21 G 16 7.498 -24.616 -14.989 173 2H2 G 16 H22 G 16 6.401 -24.703 -13.629 174 1H5* G 17 H5' G 17 9.353 -22.957 -4.263 175 2H5* G 17 H5'' G 17 9.333 -21.319 -4.950 176 H4* G 17 H4' G 17 11.540 -23.004 -4.920 177 H3* G 17 H3' G 17 10.909 -20.726 -6.886 178 H2* G 17 H2' G 17 13.033 -21.323 -7.928 179 2HO* G 17 2HO' G 17 14.457 -22.747 -6.910 180 H1* G 17 H1' G 17 12.556 -24.052 -7.876 181 H8 G 17 H8 G 17 9.630 -21.597 -8.583 182 H1 G 17 H1 G 17 12.751 -23.692 -13.771 183 1H2 G 17 H21 G 17 14.427 -25.019 -13.176 184 2H2 G 17 H22 G 17 14.891 -25.221 -11.500 185 1H5* A 18 H5' A 18 15.025 -20.524 -5.538 186 2H5* A 18 H5'' A 18 15.669 -18.888 -5.777 187 H4* A 18 H4' A 18 16.650 -20.930 -7.139 188 H3* A 18 H3' A 18 15.989 -18.199 -8.371 189 H2* A 18 H2' A 18 16.927 -19.091 -10.412 190 2HO* A 18 2HO' A 18 17.744 -21.534 -9.599 191 H1* A 18 H1' A 18 15.859 -21.667 -10.111 192 H8 A 18 H8 A 18 12.995 -19.450 -9.314 193 1H6 A 18 H61 A 18 12.413 -18.362 -15.389 194 2H6 A 18 H62 A 18 11.637 -18.227 -13.827 195 H2 A 18 H2 A 18 16.339 -20.385 -14.722 196 1H5* C 19 H5' C 19 19.352 -18.826 -9.638 197 2H5* C 19 H5'' C 19 20.735 -17.835 -9.131 198 H4* C 19 H4' C 19 20.948 -17.736 -11.440 199 H3* C 19 H3' C 19 19.074 -15.417 -10.720 200 H2* C 19 H2' C 19 18.998 -14.925 -13.076 201 2HO* C 19 2HO' C 19 20.638 -16.571 -14.256 202 H1* C 19 H1' C 19 19.000 -17.597 -13.954 203 1H4 C 19 H41 C 19 12.934 -15.659 -14.318 204 2H4 C 19 H42 C 19 12.721 -15.854 -12.593 205 H5 C 19 H5 C 19 14.608 -16.325 -11.082 206 H6 C 19 H6 C 19 16.986 -16.849 -10.983 207 1H5* C 20 H5' C 20 21.481 -14.444 -14.017 208 2H5* C 20 H5'' C 20 22.585 -13.185 -13.430 209 H4* C 20 H4' C 20 21.934 -12.354 -15.512 210 H3* C 20 H3' C 20 19.974 -11.199 -13.459 211 H2* C 20 H2' C 20 18.901 -10.075 -15.290 212 2HO* C 20 2HO' C 20 21.366 -10.604 -16.608 213 H1* C 20 H1' C 20 19.256 -12.129 -17.190 214 1H4 C 20 H41 C 20 13.166 -12.617 -15.360 215 2H4 C 20 H42 C 20 13.624 -13.179 -13.768 216 H5 C 20 H5 C 20 15.963 -13.154 -12.991 217 H6 C 20 H6 C 20 18.277 -12.798 -13.676 218 1H5* G 21 H5' G 21 22.094 -7.845 -16.325 219 2H5* G 21 H5'' G 21 21.647 -6.368 -15.447 220 H4* G 21 H4' G 21 20.920 -6.748 -17.983 221 H3* G 21 H3' G 21 19.174 -5.505 -15.799 222 H2* G 21 H2' G 21 17.509 -5.203 -17.541 223 2HO* G 21 2HO' G 21 18.042 -5.231 -19.671 224 H1* G 21 H1' G 21 17.871 -7.679 -18.732 225 H8 G 21 H8 G 21 18.078 -7.938 -14.931 226 H1 G 21 H1 G 21 12.092 -7.989 -17.248 227 1H2 G 21 H21 G 21 12.099 -7.381 -19.385 228 2H2 G 21 H22 G 21 13.589 -7.168 -20.278 229 1H5* G 22 H5' G 22 19.777 -2.597 -18.690 230 2H5* G 22 H5'' G 22 20.252 -0.952 -18.219 231 H4* G 22 H4' G 22 18.171 -0.785 -19.391 232 H3* G 22 H3' G 22 17.851 -0.485 -16.372 233 H2* G 22 H2' G 22 15.478 -0.230 -16.708 234 2HO* G 22 2HO' G 22 15.043 -0.267 -19.269 235 H1* G 22 H1' G 22 15.181 -2.160 -18.681 236 H8 G 22 H8 G 22 17.614 -3.422 -16.044 237 H1 G 22 H1 G 22 11.430 -4.061 -14.425 238 1H2 G 22 H21 G 22 10.147 -3.027 -15.921 239 2H2 G 22 H22 G 22 10.828 -2.022 -17.181 240 1H5* C 23 H5' C 23 16.739 4.007 -16.599 241 2H5* C 23 H5'' C 23 17.679 4.315 -15.124 242 H4* C 23 H4' C 23 15.068 4.464 -15.037 243 H3* C 23 H3' C 23 16.782 2.983 -12.978 244 H2* C 23 H2' C 23 14.732 2.447 -11.814 245 2HO* C 23 2HO' C 23 13.985 4.773 -12.679 246 H1* C 23 H1' C 23 13.245 1.815 -14.057 247 1H4 C 23 H41 C 23 15.760 -3.588 -11.742 248 2H4 C 23 H42 C 23 17.032 -3.496 -12.940 249 H5 C 23 H5 C 23 17.427 -1.463 -14.279 250 H6 C 23 H6 C 23 16.536 0.734 -14.862 251 1H5* U 24 H5' U 24 15.092 6.078 -10.045 252 2H5* U 24 H5'' U 24 16.545 6.365 -9.066 253 H4* U 24 H4' U 24 14.481 5.326 -7.908 254 H3* U 24 H3' U 24 17.278 4.095 -7.696 255 H2* U 24 H2' U 24 16.321 2.416 -6.273 256 2HO* U 24 2HO' U 24 14.844 4.463 -5.490 257 H1* U 24 H1' U 24 13.842 2.222 -7.597 258 H3 U 24 H3 U 24 16.097 -1.800 -7.731 259 H5 U 24 H5 U 24 17.508 0.432 -11.022 260 H6 U 24 H6 U 24 16.331 2.360 -10.123 261 1H5* U 25 H5' U 25 15.330 5.291 -3.844 262 2H5* U 25 H5'' U 25 16.423 5.402 -2.449 263 H4* U 25 H4' U 25 14.450 3.706 -2.368 264 H3* U 25 H3' U 25 17.333 3.028 -1.618 265 H2* U 25 H2' U 25 16.623 0.766 -1.177 266 2HO* U 25 2HO' U 25 13.968 0.940 -1.661 267 H1* U 25 H1' U 25 14.929 0.496 -3.354 268 H3 U 25 H3 U 25 18.650 -2.094 -4.108 269 H5 U 25 H5 U 25 19.736 1.795 -5.330 270 H6 U 25 H6 U 25 17.655 2.598 -4.365 271 1H5* C 26 H5' C 26 15.881 0.718 1.070 272 2H5* C 26 H5'' C 26 15.859 1.643 2.585 273 H4* C 26 H4' C 26 16.777 -0.391 3.266 274 H3* C 26 H3' C 26 19.105 1.445 2.512 275 H2* C 26 H2' C 26 20.604 -0.366 2.980 276 2HO* C 26 2HO' C 26 19.442 -0.819 5.008 277 H1* C 26 H1' C 26 18.959 -2.451 2.043 278 1H4 C 26 H41 C 26 23.369 -1.393 -2.434 279 2H4 C 26 H42 C 26 22.387 -0.128 -3.138 280 H5 C 26 H5 C 26 20.236 0.565 -2.160 281 H6 C 26 H6 C 26 18.729 0.265 -0.264 282 1H5* C 27 H5' C 27 21.982 1.683 6.726 283 2H5* C 27 H5'' C 27 22.405 2.092 5.050 284 H4* C 27 H4' C 27 22.917 -0.501 6.534 285 H3* C 27 H3' C 27 24.694 1.563 5.155 286 H2* C 27 H2' C 27 26.257 -0.210 4.723 287 2HO* C 27 2HO' C 27 25.532 -2.391 5.607 288 H1* C 27 H1' C 27 24.350 -2.032 3.896 289 1H4 C 27 H41 C 27 26.497 1.138 -1.243 290 2H4 C 27 H42 C 27 25.007 2.053 -1.258 291 H5 C 27 H5 C 27 23.290 1.803 0.491 292 H6 C 27 H6 C 27 22.772 0.743 2.628 293 H3T C 27 H3T C 27 25.266 0.015 7.446 294 1HN1 NCO 28 1HN1 NCO 28 14.972 -10.253 -12.896 295 2HN1 NCO 28 2HN1 NCO 28 14.758 -8.644 -13.005 296 3HN1 NCO 28 3HN1 NCO 28 15.626 -9.268 -11.780 297 1HN2 NCO 28 1HN2 NCO 28 10.680 -9.861 -10.734 298 2HN2 NCO 28 2HN2 NCO 28 11.549 -10.485 -9.509 299 3HN2 NCO 28 3HN2 NCO 28 11.334 -8.876 -9.618 300 1HN3 NCO 28 1HN3 NCO 28 12.679 -7.611 -12.818 301 2HN3 NCO 28 2HN3 NCO 28 12.003 -8.951 -13.443 302 3HN3 NCO 28 3HN3 NCO 28 11.268 -8.160 -12.227 303 1HN4 NCO 28 1HN4 NCO 28 12.828 -11.118 -13.246 304 2HN4 NCO 28 2HN4 NCO 28 13.163 -12.016 -11.933 305 3HN4 NCO 28 3HN4 NCO 28 11.664 -11.424 -12.152 306 1HN5 NCO 28 1HN5 NCO 28 14.298 -10.179 -9.069 307 2HN5 NCO 28 2HN5 NCO 28 13.628 -11.520 -9.699 308 3HN5 NCO 28 3HN5 NCO 28 15.040 -10.965 -10.284 309 1HN6 NCO 28 1HN6 NCO 28 13.474 -8.009 -9.268 310 2HN6 NCO 28 2HN6 NCO 28 14.645 -7.709 -10.357 311 3HN6 NCO 28 3HN6 NCO 28 13.149 -7.111 -10.584 Start of MODEL 3 1 1H5* G 1 H5' G 1 32.339 -6.233 -0.264 2 2H5* G 1 H5'' G 1 32.248 -7.250 -1.717 3 H4* G 1 H4' G 1 30.318 -7.767 -0.423 4 H3* G 1 H3' G 1 29.662 -5.910 -2.754 5 H2* G 1 H2' G 1 27.430 -5.729 -1.988 6 2HO* G 1 2HO' G 1 27.478 -7.710 -0.074 7 H1* G 1 H1' G 1 27.897 -5.990 0.779 8 H8 G 1 H8 G 1 28.658 -3.718 -2.270 9 H1 G 1 H1 G 1 26.633 -0.696 3.020 10 1H2 G 1 H21 G 1 26.431 -2.152 4.690 11 2H2 G 1 H22 G 1 26.976 -3.807 4.540 12 H5T G 1 H5T G 1 31.867 -5.539 -2.925 13 1H5* G 2 H5' G 2 27.624 -10.537 -2.385 14 2H5* G 2 H5'' G 2 26.394 -10.616 -3.663 15 H4* G 2 H4' G 2 25.757 -11.219 -1.177 16 H3* G 2 H3' G 2 24.097 -9.554 -3.119 17 H2* G 2 H2' G 2 22.508 -9.114 -1.365 18 2HO* G 2 2HO' G 2 23.137 -11.532 -0.634 19 H1* G 2 H1' G 2 24.303 -8.679 0.680 20 H8 G 2 H8 G 2 25.804 -7.237 -2.470 21 H1 G 2 H1 G 2 21.335 -3.474 0.194 22 1H2 G 2 H21 G 2 20.287 -4.574 1.816 23 2H2 G 2 H22 G 2 20.626 -6.255 2.164 24 1H5* A 3 H5' A 3 21.289 -11.678 -1.041 25 2H5* A 3 H5'' A 3 20.388 -12.739 -2.142 26 H4* A 3 H4' A 3 18.793 -11.510 -0.827 27 H3* A 3 H3' A 3 19.014 -10.501 -3.702 28 H2* A 3 H2' A 3 17.360 -8.831 -3.183 29 2HO* A 3 2HO' A 3 16.581 -9.216 -0.741 30 H1* A 3 H1' A 3 18.276 -8.184 -0.648 31 H8 A 3 H8 A 3 21.097 -8.773 -3.189 32 1H6 A 3 H61 A 3 20.559 -2.734 -4.477 33 2H6 A 3 H62 A 3 21.484 -4.188 -4.776 34 H2 A 3 H2 A 3 17.206 -3.866 -1.753 35 1H5* A 4 H5' A 4 14.890 -10.932 -2.410 36 2H5* A 4 H5'' A 4 13.810 -11.302 -3.770 37 H4* A 4 H4' A 4 13.419 -9.114 -2.418 38 H3* A 4 H3' A 4 13.527 -9.233 -5.473 39 H2* A 4 H2' A 4 13.181 -6.862 -5.514 40 2HO* A 4 2HO' A 4 12.595 -6.818 -2.743 41 H1* A 4 H1' A 4 14.646 -6.239 -3.188 42 H8 A 4 H8 A 4 16.655 -8.567 -5.391 43 1H6 A 4 H61 A 4 18.397 -3.508 -8.523 44 2H6 A 4 H62 A 4 18.633 -5.232 -8.339 45 H2 A 4 H2 A 4 15.096 -2.345 -5.748 46 1H5* G 5 H5' G 5 8.396 -6.765 -5.312 47 2H5* G 5 H5'' G 5 9.369 -6.868 -6.793 48 H4* G 5 H4' G 5 9.325 -4.660 -4.724 49 H3* G 5 H3' G 5 7.930 -4.771 -7.147 50 H2* G 5 H2' G 5 9.919 -4.834 -8.556 51 2HO* G 5 2HO' G 5 10.321 -2.551 -9.095 52 H1* G 5 H1' G 5 11.215 -2.817 -6.669 53 H8 G 5 H8 G 5 12.411 -6.352 -7.666 54 H1 G 5 H1 G 5 15.704 -1.520 -10.315 55 1H2 G 5 H21 G 5 14.676 0.409 -9.910 56 2H2 G 5 H22 G 5 13.298 0.512 -8.836 57 1H5* U 6 H5' U 6 4.734 -0.772 -6.314 58 2H5* U 6 H5'' U 6 5.210 -2.383 -6.890 59 H4* U 6 H4' U 6 5.274 -0.387 -8.557 60 H3* U 6 H3' U 6 7.404 -2.508 -8.218 61 H2* U 6 H2' U 6 9.071 -1.132 -9.136 62 2HO* U 6 2HO' U 6 7.825 0.258 -11.025 63 H1* U 6 H1' U 6 7.318 1.273 -9.431 64 H3 U 6 H3 U 6 11.486 3.157 -9.208 65 H5 U 6 H5 U 6 10.928 1.355 -5.434 66 H6 U 6 H6 U 6 8.886 0.358 -6.294 67 1H5* C 7 H5' C 7 4.817 -1.442 -11.295 68 2H5* C 7 H5'' C 7 3.151 -1.881 -11.725 69 H4* C 7 H4' C 7 3.863 -2.179 -13.857 70 H3* C 7 H3' C 7 5.524 -4.417 -12.587 71 H2* C 7 H2' C 7 6.715 -4.595 -14.667 72 2HO* C 7 2HO' C 7 5.809 -3.331 -16.520 73 H1* C 7 H1' C 7 6.766 -1.851 -15.271 74 1H4 C 7 H41 C 7 12.507 -3.157 -12.809 75 2H4 C 7 H42 C 7 11.859 -3.140 -11.183 76 H5 C 7 H5 C 7 9.435 -3.075 -10.739 77 H6 C 7 H6 C 7 7.238 -2.796 -11.760 78 1H5* C 8 H5' C 8 4.395 -4.974 -16.392 79 2H5* C 8 H5'' C 8 3.042 -6.112 -16.554 80 H4* C 8 H4' C 8 4.212 -6.470 -18.537 81 H3* C 8 H3' C 8 5.337 -8.454 -16.493 82 H2* C 8 H2' C 8 6.823 -9.229 -18.231 83 2HO* C 8 2HO' C 8 5.828 -7.593 -20.240 84 H1* C 8 H1' C 8 7.435 -6.723 -19.274 85 1H4 C 8 H41 C 8 12.107 -8.077 -15.137 86 2H4 C 8 H42 C 8 11.126 -7.534 -13.794 87 H5 C 8 H5 C 8 8.723 -7.024 -14.045 88 H6 C 8 H6 C 8 6.909 -6.770 -15.658 89 1H5* G 9 H5' G 9 4.171 -10.321 -20.377 90 2H5* G 9 H5'' G 9 4.189 -12.093 -20.273 91 H4* G 9 H4' G 9 5.963 -10.814 -21.764 92 H3* G 9 H3' G 9 6.596 -13.172 -19.911 93 H2* G 9 H2' G 9 8.873 -12.995 -20.667 94 2HO* G 9 2HO' G 9 7.643 -11.607 -22.808 95 H1* G 9 H1' G 9 8.950 -10.192 -20.812 96 H8 G 9 H8 G 9 7.327 -11.418 -17.591 97 H1 G 9 H1 G 9 13.744 -11.401 -17.450 98 1H2 G 9 H21 G 9 14.543 -10.942 -19.475 99 2H2 G 9 H22 G 9 13.500 -10.842 -20.875 100 1H5* G 10 H5' G 10 8.675 -13.324 -23.415 101 2H5* G 10 H5'' G 10 8.377 -14.828 -24.307 102 H4* G 10 H4' G 10 10.741 -14.476 -24.308 103 H3* G 10 H3' G 10 9.939 -16.580 -22.230 104 H2* G 10 H2' G 10 12.290 -16.831 -21.759 105 2HO* G 10 2HO' G 10 13.810 -16.357 -23.229 106 H1* G 10 H1' G 10 12.950 -14.137 -21.929 107 H8 G 10 H8 G 10 9.671 -15.108 -20.115 108 H1 G 10 H1 G 10 14.881 -14.812 -16.380 109 1H2 G 10 H21 G 10 16.700 -14.579 -17.636 110 2H2 G 10 H22 G 10 16.599 -14.281 -19.357 111 1H5* U 11 H5' U 11 12.485 -19.200 -25.492 112 2H5* U 11 H5'' U 11 11.689 -20.750 -25.149 113 H4* U 11 H4' U 11 14.265 -20.604 -24.904 114 H3* U 11 H3' U 11 12.449 -21.776 -22.732 115 H2* U 11 H2' U 11 14.449 -22.251 -21.488 116 2HO* U 11 2HO' U 11 16.144 -21.292 -23.504 117 H1* U 11 H1' U 11 15.706 -19.849 -21.949 118 H3 U 11 H3 U 11 14.299 -19.772 -17.584 119 H5 U 11 H5 U 11 10.972 -18.514 -19.853 120 H6 U 11 H6 U 11 12.193 -19.138 -21.857 121 1H5* C 12 H5' C 12 16.209 -23.755 -22.304 122 2H5* C 12 H5'' C 12 15.832 -25.331 -23.026 123 H4* C 12 H4' C 12 16.988 -25.814 -21.012 124 H3* C 12 H3' C 12 13.976 -26.045 -20.497 125 H2* C 12 H2' C 12 14.612 -26.847 -18.288 126 2HO* C 12 2HO' C 12 17.055 -27.271 -19.620 127 H1* C 12 H1' C 12 16.675 -25.004 -17.941 128 1H4 C 12 H41 C 12 11.434 -22.918 -14.912 129 2H4 C 12 H42 C 12 11.191 -21.767 -16.207 130 H5 C 12 H5 C 12 12.611 -21.729 -18.214 131 H6 C 12 H6 C 12 14.458 -22.827 -19.361 132 1H5* U 13 H5' U 13 14.633 -29.177 -18.322 133 2H5* U 13 H5'' U 13 13.360 -30.318 -18.787 134 H4* U 13 H4' U 13 13.156 -29.362 -16.452 135 H3* U 13 H3' U 13 10.866 -28.924 -18.445 136 H2* U 13 H2' U 13 9.666 -27.910 -16.616 137 2HO* U 13 2HO' U 13 11.204 -28.150 -14.510 138 H1* U 13 H1' U 13 11.896 -26.609 -15.483 139 H3 U 13 H3 U 13 8.449 -23.887 -17.304 140 H5 U 13 H5 U 13 11.680 -24.007 -20.010 141 H6 U 13 H6 U 13 12.643 -25.783 -18.664 142 1H5* U 14 H5' U 14 8.205 -29.972 -14.706 143 2H5* U 14 H5'' U 14 9.819 -30.662 -14.942 144 H4* U 14 H4' U 14 7.228 -32.166 -14.649 145 H3* U 14 H3' U 14 8.767 -31.375 -12.501 146 H2* U 14 H2' U 14 10.794 -32.535 -13.124 147 2HO* U 14 2HO' U 14 9.040 -34.149 -11.627 148 H1* U 14 H1' U 14 9.185 -34.920 -14.093 149 H3 U 14 H3 U 14 12.912 -36.784 -15.857 150 H5 U 14 H5 U 14 13.599 -32.660 -16.418 151 H6 U 14 H6 U 14 11.472 -32.228 -15.325 152 1H5* C 15 H5' C 15 6.694 -31.206 -8.857 153 2H5* C 15 H5'' C 15 5.399 -30.487 -9.836 154 H4* C 15 H4' C 15 6.787 -28.822 -8.558 155 H3* C 15 H3' C 15 5.782 -28.326 -11.064 156 H2* C 15 H2' C 15 7.739 -29.354 -12.184 157 2HO* C 15 2HO' C 15 7.598 -27.499 -13.293 158 H1* C 15 H1' C 15 9.373 -27.594 -10.285 159 1H4 C 15 H41 C 15 14.338 -31.438 -11.614 160 2H4 C 15 H42 C 15 13.910 -31.254 -13.300 161 H5 C 15 H5 C 15 11.838 -30.142 -14.019 162 H6 C 15 H6 C 15 9.781 -29.105 -13.259 163 1H5* G 16 H5' G 16 8.145 -23.649 -8.968 164 2H5* G 16 H5'' G 16 8.271 -25.218 -9.792 165 H4* G 16 H4' G 16 8.769 -25.387 -6.895 166 H3* G 16 H3' G 16 10.578 -23.598 -8.597 167 H2* G 16 H2' G 16 12.479 -24.621 -7.522 168 2HO* G 16 2HO' G 16 10.557 -25.772 -5.740 169 H1* G 16 H1' G 16 11.557 -27.213 -7.582 170 H8 G 16 H8 G 16 13.997 -26.860 -8.900 171 H1 G 16 H1 G 16 10.532 -25.333 -14.077 172 1H2 G 16 H21 G 16 8.439 -24.881 -13.484 173 2H2 G 16 H22 G 16 7.960 -24.782 -11.805 174 1H5* G 17 H5' G 17 13.788 -23.383 -4.109 175 2H5* G 17 H5'' G 17 13.468 -21.752 -4.735 176 H4* G 17 H4' G 17 15.623 -23.343 -5.469 177 H3* G 17 H3' G 17 14.272 -21.104 -7.088 178 H2* G 17 H2' G 17 15.946 -21.619 -8.788 179 2HO* G 17 2HO' G 17 17.187 -23.679 -7.462 180 H1* G 17 H1' G 17 15.618 -24.363 -8.612 181 H8 G 17 H8 G 17 12.518 -22.081 -8.225 182 H1 G 17 H1 G 17 13.792 -23.900 -14.226 183 1H2 G 17 H21 G 17 15.633 -25.137 -14.280 184 2H2 G 17 H22 G 17 16.651 -25.333 -12.868 185 1H5* A 18 H5' A 18 18.573 -21.019 -7.327 186 2H5* A 18 H5'' A 18 19.139 -19.419 -7.846 187 H4* A 18 H4' A 18 19.424 -21.570 -9.400 188 H3* A 18 H3' A 18 18.635 -18.769 -10.362 189 H2* A 18 H2' A 18 18.630 -19.693 -12.586 190 2HO* A 18 2HO' A 18 19.491 -21.988 -12.734 191 H1* A 18 H1' A 18 17.587 -22.212 -11.868 192 H8 A 18 H8 A 18 15.286 -19.875 -10.176 193 1H6 A 18 H61 A 18 12.714 -18.724 -15.696 194 2H6 A 18 H62 A 18 12.598 -18.441 -13.974 195 H2 A 18 H2 A 18 16.576 -20.860 -16.394 196 1H5* C 19 H5' C 19 20.896 -19.717 -13.286 197 2H5* C 19 H5'' C 19 22.401 -18.777 -13.227 198 H4* C 19 H4' C 19 21.696 -18.427 -15.422 199 H3* C 19 H3' C 19 20.477 -16.164 -13.753 200 H2* C 19 H2' C 19 19.487 -15.351 -15.789 201 2HO* C 19 2HO' C 19 20.793 -17.207 -17.430 202 H1* C 19 H1' C 19 18.892 -17.866 -16.892 203 1H4 C 19 H41 C 19 13.414 -15.762 -14.387 204 2H4 C 19 H42 C 19 13.943 -16.173 -12.772 205 H5 C 19 H5 C 19 16.250 -16.886 -12.286 206 H6 C 19 H6 C 19 18.397 -17.471 -13.283 207 1H5* C 20 H5' C 20 21.542 -14.886 -17.541 208 2H5* C 20 H5'' C 20 22.874 -13.725 -17.373 209 H4* C 20 H4' C 20 21.446 -12.783 -18.998 210 H3* C 20 H3' C 20 20.845 -11.522 -16.275 211 H2* C 20 H2' C 20 19.178 -10.184 -17.372 212 2HO* C 20 2HO' C 20 19.796 -10.952 -19.967 213 H1* C 20 H1' C 20 18.362 -12.137 -19.247 214 1H4 C 20 H41 C 20 13.718 -12.131 -14.891 215 2H4 C 20 H42 C 20 14.751 -12.888 -13.699 216 H5 C 20 H5 C 20 17.152 -13.271 -14.092 217 H6 C 20 H6 C 20 18.951 -13.088 -15.728 218 1H5* G 21 H5' G 21 20.674 -8.759 -19.480 219 2H5* G 21 H5'' G 21 21.954 -7.557 -19.209 220 H4* G 21 H4' G 21 20.202 -6.151 -19.759 221 H3* G 21 H3' G 21 19.946 -6.606 -16.750 222 H2* G 21 H2' G 21 17.922 -5.354 -16.786 223 2HO* G 21 2HO' G 21 17.799 -4.344 -19.251 224 H1* G 21 H1' G 21 17.039 -6.116 -19.359 225 H8 G 21 H8 G 21 18.165 -8.149 -16.208 226 H1 G 21 H1 G 21 11.914 -8.390 -17.658 227 1H2 G 21 H21 G 21 11.530 -7.259 -19.533 228 2H2 G 21 H22 G 21 12.771 -6.293 -20.297 229 1H5* G 22 H5' G 22 20.359 -2.697 -18.936 230 2H5* G 22 H5'' G 22 21.118 -1.363 -18.044 231 H4* G 22 H4' G 22 19.302 -0.505 -19.421 232 H3* G 22 H3' G 22 18.811 -0.477 -16.417 233 H2* G 22 H2' G 22 16.607 0.415 -16.811 234 2HO* G 22 2HO' G 22 16.929 1.968 -18.316 235 H1* G 22 H1' G 22 15.946 -1.163 -18.975 236 H8 G 22 H8 G 22 18.016 -3.096 -16.400 237 H1 G 22 H1 G 22 11.727 -2.872 -15.120 238 1H2 G 22 H21 G 22 10.727 -1.428 -16.481 239 2H2 G 22 H22 G 22 11.595 -0.606 -17.759 240 1H5* C 23 H5' C 23 17.817 3.201 -16.858 241 2H5* C 23 H5'' C 23 18.798 4.370 -15.951 242 H4* C 23 H4' C 23 16.584 4.561 -15.100 243 H3* C 23 H3' C 23 18.341 2.892 -13.235 244 H2* C 23 H2' C 23 16.426 2.662 -11.778 245 2HO* C 23 2HO' C 23 15.834 4.949 -12.130 246 H1* C 23 H1' C 23 14.562 2.187 -13.756 247 1H4 C 23 H41 C 23 16.627 -3.548 -11.869 248 2H4 C 23 H42 C 23 17.963 -3.469 -12.996 249 H5 C 23 H5 C 23 18.455 -1.454 -14.320 250 H6 C 23 H6 C 23 17.737 0.828 -14.809 251 1H5* U 24 H5' U 24 17.081 6.279 -10.525 252 2H5* U 24 H5'' U 24 18.291 6.291 -9.224 253 H4* U 24 H4' U 24 15.790 5.506 -8.767 254 H3* U 24 H3' U 24 18.322 4.199 -7.650 255 H2* U 24 H2' U 24 16.909 2.592 -6.564 256 2HO* U 24 2HO' U 24 14.570 4.035 -7.223 257 H1* U 24 H1' U 24 14.957 2.421 -8.588 258 H3 U 24 H3 U 24 16.994 -1.666 -7.950 259 H5 U 24 H5 U 24 19.451 0.441 -10.656 260 H6 U 24 H6 U 24 18.120 2.425 -10.203 261 1H5* U 25 H5' U 25 15.345 5.579 -4.193 262 2H5* U 25 H5'' U 25 16.378 5.681 -2.753 263 H4* U 25 H4' U 25 14.259 4.134 -2.727 264 H3* U 25 H3' U 25 17.022 3.359 -1.678 265 H2* U 25 H2' U 25 16.141 1.180 -1.138 266 2HO* U 25 2HO' U 25 13.663 2.536 -1.420 267 H1* U 25 H1' U 25 14.633 0.830 -3.431 268 H3 U 25 H3 U 25 18.249 -1.993 -3.681 269 H5 U 25 H5 U 25 19.666 1.745 -5.031 270 H6 U 25 H6 U 25 17.555 2.719 -4.319 271 1H5* C 26 H5' C 26 14.689 1.784 0.856 272 2H5* C 26 H5'' C 26 14.670 2.512 2.474 273 H4* C 26 H4' C 26 14.819 0.134 2.754 274 H3* C 26 H3' C 26 17.487 1.543 3.245 275 H2* C 26 H2' C 26 18.479 -0.595 3.664 276 2HO* C 26 2HO' C 26 16.165 -2.103 3.647 277 H1* C 26 H1' C 26 16.943 -2.084 1.820 278 1H4 C 26 H41 C 26 22.697 -1.400 -0.815 279 2H4 C 26 H42 C 26 22.280 0.197 -1.395 280 H5 C 26 H5 C 26 20.075 1.215 -0.962 281 H6 C 26 H6 C 26 17.990 0.975 0.282 282 1H5* C 27 H5' C 27 19.256 0.580 7.574 283 2H5* C 27 H5'' C 27 19.904 1.002 5.976 284 H4* C 27 H4' C 27 19.696 -1.818 7.090 285 H3* C 27 H3' C 27 22.048 0.113 6.879 286 H2* C 27 H2' C 27 23.462 -1.777 6.447 287 2HO* C 27 2HO' C 27 22.932 -3.503 7.564 288 H1* C 27 H1' C 27 21.745 -2.988 4.656 289 1H4 C 27 H41 C 27 25.749 0.853 1.432 290 2H4 C 27 H42 C 27 24.404 1.936 1.152 291 H5 C 27 H5 C 27 22.218 1.633 2.242 292 H6 C 27 H6 C 27 20.940 0.228 3.773 293 H3T C 27 H3T C 27 20.701 -0.922 8.853 294 1HN1 NCO 28 1HN1 NCO 28 13.272 -12.382 -10.827 295 2HN1 NCO 28 2HN1 NCO 28 13.726 -12.045 -12.353 296 3HN1 NCO 28 3HN1 NCO 28 14.850 -12.232 -11.191 297 1HN2 NCO 28 1HN2 NCO 28 12.830 -7.579 -10.773 298 2HN2 NCO 28 2HN2 NCO 28 13.953 -7.766 -9.613 299 3HN2 NCO 28 3HN2 NCO 28 14.408 -7.430 -11.137 300 1HN3 NCO 28 1HN3 NCO 28 12.313 -10.294 -12.982 301 2HN3 NCO 28 2HN3 NCO 28 12.531 -8.692 -12.797 302 3HN3 NCO 28 3HN3 NCO 28 13.687 -9.595 -13.502 303 1HN4 NCO 28 1HN4 NCO 28 11.738 -9.326 -9.672 304 2HN4 NCO 28 2HN4 NCO 28 11.337 -10.352 -10.870 305 3HN4 NCO 28 3HN4 NCO 28 12.028 -10.919 -9.510 306 1HN5 NCO 28 1HN5 NCO 28 13.994 -10.218 -8.463 307 2HN5 NCO 28 2HN5 NCO 28 15.150 -11.119 -9.169 308 3HN5 NCO 28 3HN5 NCO 28 15.366 -9.518 -8.983 309 1HN6 NCO 28 1HN6 NCO 28 15.940 -10.485 -12.295 310 2HN6 NCO 28 2HN6 NCO 28 15.653 -8.892 -12.453 311 3HN6 NCO 28 3HN6 NCO 28 16.343 -9.462 -11.095 Start of MODEL 4 1 1H5* G 1 H5' G 1 32.521 -3.071 -3.206 2 2H5* G 1 H5'' G 1 32.037 -3.739 -4.778 3 H4* G 1 H4' G 1 30.878 -4.782 -2.808 4 H3* G 1 H3' G 1 29.251 -3.406 -4.990 5 H2* G 1 H2' G 1 27.267 -3.760 -3.751 6 2HO* G 1 2HO' G 1 28.373 -6.068 -3.324 7 H1* G 1 H1' G 1 28.345 -3.631 -1.149 8 H8 G 1 H8 G 1 27.763 -1.531 -4.356 9 H1 G 1 H1 G 1 26.166 1.324 1.170 10 1H2 G 1 H21 G 1 26.886 0.103 2.884 11 2H2 G 1 H22 G 1 27.554 -1.499 2.657 12 H5T G 1 H5T G 1 31.663 -1.749 -5.274 13 1H5* G 2 H5' G 2 28.702 -8.419 -4.169 14 2H5* G 2 H5'' G 2 27.258 -8.871 -5.099 15 H4* G 2 H4' G 2 27.433 -9.452 -2.522 16 H3* G 2 H3' G 2 24.972 -8.422 -4.002 17 H2* G 2 H2' G 2 23.786 -8.298 -1.909 18 2HO* G 2 2HO' G 2 24.974 -9.197 0.013 19 H1* G 2 H1' G 2 25.824 -7.250 -0.382 20 H8 G 2 H8 G 2 26.089 -5.708 -3.814 21 H1 G 2 H1 G 2 21.495 -3.079 -0.183 22 1H2 G 2 H21 G 2 21.126 -4.345 1.605 23 2H2 G 2 H22 G 2 22.141 -5.718 1.989 24 1H5* A 3 H5' A 3 22.895 -11.901 -1.713 25 2H5* A 3 H5'' A 3 22.009 -12.537 -3.113 26 H4* A 3 H4' A 3 20.597 -11.818 -1.119 27 H3* A 3 H3' A 3 20.110 -10.656 -3.906 28 H2* A 3 H2' A 3 18.314 -9.350 -2.968 29 2HO* A 3 2HO' A 3 17.189 -10.103 -1.326 30 H1* A 3 H1' A 3 19.577 -8.659 -0.600 31 H8 A 3 H8 A 3 22.070 -8.532 -3.472 32 1H6 A 3 H61 A 3 19.959 -2.800 -4.524 33 2H6 A 3 H62 A 3 21.182 -3.978 -4.942 34 H2 A 3 H2 A 3 17.281 -4.724 -1.511 35 1H5* A 4 H5' A 4 16.196 -12.350 -2.588 36 2H5* A 4 H5'' A 4 15.228 -12.669 -4.042 37 H4* A 4 H4' A 4 14.524 -10.767 -2.335 38 H3* A 4 H3' A 4 14.445 -10.558 -5.387 39 H2* A 4 H2' A 4 13.666 -8.304 -5.137 40 2HO* A 4 2HO' A 4 12.346 -9.328 -3.157 41 H1* A 4 H1' A 4 15.174 -7.658 -2.847 42 H8 A 4 H8 A 4 17.594 -9.250 -5.183 43 1H6 A 4 H61 A 4 17.758 -3.880 -8.278 44 2H6 A 4 H62 A 4 18.467 -5.474 -8.134 45 H2 A 4 H2 A 4 14.318 -3.732 -5.433 46 1H5* G 5 H5' G 5 10.487 -8.829 -4.188 47 2H5* G 5 H5'' G 5 9.401 -9.618 -5.350 48 H4* G 5 H4' G 5 9.536 -7.013 -5.305 49 H3* G 5 H3' G 5 9.293 -8.811 -7.674 50 H2* G 5 H2' G 5 10.755 -7.534 -9.016 51 2HO* G 5 2HO' G 5 8.965 -6.385 -9.650 52 H1* G 5 H1' G 5 10.869 -5.259 -7.024 53 H8 G 5 H8 G 5 13.570 -7.939 -7.535 54 H1 G 5 H1 G 5 14.715 -2.391 -10.556 55 1H2 G 5 H21 G 5 12.906 -1.104 -10.488 56 2H2 G 5 H22 G 5 11.502 -1.535 -9.536 57 1H5* U 6 H5' U 6 6.429 -5.775 -5.564 58 2H5* U 6 H5'' U 6 4.712 -5.490 -5.915 59 H4* U 6 H4' U 6 5.168 -4.001 -7.614 60 H3* U 6 H3' U 6 7.472 -5.787 -8.316 61 H2* U 6 H2' U 6 9.064 -4.066 -8.175 62 2HO* U 6 2HO' U 6 8.965 -2.722 -9.841 63 H1* U 6 H1' U 6 7.004 -1.913 -7.693 64 H3 U 6 H3 U 6 10.827 0.287 -6.452 65 H5 U 6 H5 U 6 10.520 -2.927 -3.737 66 H6 U 6 H6 U 6 8.665 -3.771 -5.062 67 1H5* C 7 H5' C 7 5.340 -3.404 -11.078 68 2H5* C 7 H5'' C 7 3.759 -3.568 -11.867 69 H4* C 7 H4' C 7 4.798 -3.177 -13.844 70 H3* C 7 H3' C 7 6.181 -5.829 -13.192 71 H2* C 7 H2' C 7 7.700 -5.392 -14.994 72 2HO* C 7 2HO' C 7 6.944 -3.317 -16.287 73 H1* C 7 H1' C 7 7.837 -2.592 -14.670 74 1H4 C 7 H41 C 7 13.245 -4.976 -12.293 75 2H4 C 7 H42 C 7 12.461 -5.322 -10.768 76 H5 C 7 H5 C 7 10.079 -4.814 -10.374 77 H6 C 7 H6 C 7 7.997 -4.122 -11.440 78 1H5* C 8 H5' C 8 5.441 -5.356 -17.118 79 2H5* C 8 H5'' C 8 4.116 -6.342 -17.773 80 H4* C 8 H4' C 8 5.573 -6.426 -19.563 81 H3* C 8 H3' C 8 6.470 -8.696 -17.719 82 H2* C 8 H2' C 8 8.299 -9.109 -19.222 83 2HO* C 8 2HO' C 8 6.745 -7.535 -21.024 84 H1* C 8 H1' C 8 8.867 -6.439 -19.835 85 1H4 C 8 H41 C 8 13.056 -7.867 -15.249 86 2H4 C 8 H42 C 8 11.797 -7.958 -14.039 87 H5 C 8 H5 C 8 9.415 -7.672 -14.590 88 H6 C 8 H6 C 8 7.829 -7.282 -16.402 89 1H5* G 9 H5' G 9 6.748 -9.490 -21.618 90 2H5* G 9 H5'' G 9 5.753 -10.823 -22.239 91 H4* G 9 H4' G 9 7.795 -11.162 -23.324 92 H3* G 9 H3' G 9 7.847 -12.826 -20.752 93 H2* G 9 H2' G 9 10.056 -13.544 -21.386 94 2HO* G 9 2HO' G 9 9.202 -12.637 -23.936 95 H1* G 9 H1' G 9 10.924 -11.088 -22.405 96 H8 G 9 H8 G 9 8.913 -11.386 -19.079 97 H1 G 9 H1 G 9 15.296 -11.102 -18.470 98 1H2 G 9 H21 G 9 16.245 -11.022 -20.479 99 2H2 G 9 H22 G 9 15.317 -11.237 -21.945 100 1H5* G 10 H5' G 10 9.171 -14.703 -24.600 101 2H5* G 10 H5'' G 10 8.985 -16.467 -24.547 102 H4* G 10 H4' G 10 11.308 -15.574 -25.121 103 H3* G 10 H3' G 10 10.904 -17.520 -22.789 104 H2* G 10 H2' G 10 13.312 -17.488 -22.524 105 2HO* G 10 2HO' G 10 13.544 -17.483 -24.945 106 H1* G 10 H1' G 10 13.617 -14.767 -22.835 107 H8 G 10 H8 G 10 10.430 -15.806 -20.940 108 H1 G 10 H1 G 10 15.650 -15.156 -17.265 109 1H2 G 10 H21 G 10 17.456 -14.947 -18.543 110 2H2 G 10 H22 G 10 17.339 -14.745 -20.277 111 1H5* U 11 H5' U 11 13.882 -19.534 -25.155 112 2H5* U 11 H5'' U 11 13.139 -21.040 -25.730 113 H4* U 11 H4' U 11 15.192 -21.758 -24.872 114 H3* U 11 H3' U 11 13.109 -22.047 -22.640 115 H2* U 11 H2' U 11 14.876 -22.902 -21.256 116 2HO* U 11 2HO' U 11 16.950 -22.751 -23.014 117 H1* U 11 H1' U 11 16.771 -21.031 -21.950 118 H3 U 11 H3 U 11 15.503 -19.515 -17.846 119 H5 U 11 H5 U 11 12.268 -18.498 -20.352 120 H6 U 11 H6 U 11 13.343 -19.758 -22.129 121 1H5* C 12 H5' C 12 16.106 -24.950 -21.806 122 2H5* C 12 H5'' C 12 15.290 -26.422 -22.369 123 H4* C 12 H4' C 12 16.213 -27.007 -20.278 124 H3* C 12 H3' C 12 13.289 -26.202 -19.824 125 H2* C 12 H2' C 12 13.666 -26.917 -17.522 126 2HO* C 12 2HO' C 12 16.277 -27.720 -17.840 127 H1* C 12 H1' C 12 16.202 -25.778 -17.336 128 1H4 C 12 H41 C 12 11.947 -21.758 -14.741 129 2H4 C 12 H42 C 12 12.303 -20.659 -16.055 130 H5 C 12 H5 C 12 13.519 -21.384 -18.070 131 H6 C 12 H6 C 12 14.813 -23.190 -19.063 132 1H5* U 13 H5' U 13 12.826 -29.104 -17.444 133 2H5* U 13 H5'' U 13 11.308 -29.899 -17.901 134 H4* U 13 H4' U 13 11.173 -28.796 -15.688 135 H3* U 13 H3' U 13 9.408 -27.567 -17.879 136 H2* U 13 H2' U 13 8.492 -26.195 -16.101 137 2HO* U 13 2HO' U 13 10.010 -27.358 -14.076 138 H1* U 13 H1' U 13 10.955 -25.714 -14.849 139 H3 U 13 H3 U 13 8.835 -22.043 -16.943 140 H5 U 13 H5 U 13 11.873 -23.463 -19.501 141 H6 U 13 H6 U 13 12.098 -25.387 -18.039 142 1H5* U 14 H5' U 14 6.704 -27.109 -14.200 143 2H5* U 14 H5'' U 14 7.587 -28.633 -14.342 144 H4* U 14 H4' U 14 4.606 -28.329 -14.244 145 H3* U 14 H3' U 14 6.183 -28.340 -11.979 146 H2* U 14 H2' U 14 7.133 -30.543 -12.257 147 2HO* U 14 2HO' U 14 4.517 -31.105 -11.254 148 H1* U 14 H1' U 14 4.520 -31.615 -13.366 149 H3 U 14 H3 U 14 6.612 -35.460 -14.557 150 H5 U 14 H5 U 14 9.586 -32.536 -15.223 151 H6 U 14 H6 U 14 8.027 -30.879 -14.401 152 1H5* C 15 H5' C 15 4.802 -24.740 -11.321 153 2H5* C 15 H5'' C 15 6.309 -25.237 -12.110 154 H4* C 15 H4' C 15 5.121 -26.191 -9.513 155 H3* C 15 H3' C 15 7.261 -24.417 -9.991 156 H2* C 15 H2' C 15 8.813 -26.099 -10.747 157 2HO* C 15 2HO' C 15 10.083 -26.581 -8.995 158 H1* C 15 H1' C 15 7.568 -28.059 -8.776 159 1H4 C 15 H41 C 15 11.088 -32.205 -12.094 160 2H4 C 15 H42 C 15 11.009 -31.242 -13.553 161 H5 C 15 H5 C 15 9.673 -29.178 -13.692 162 H6 C 15 H6 C 15 8.311 -27.602 -12.427 163 1H5* G 16 H5' G 16 7.151 -21.147 -7.542 164 2H5* G 16 H5'' G 16 8.091 -21.512 -9.001 165 H4* G 16 H4' G 16 8.361 -22.658 -6.225 166 H3* G 16 H3' G 16 10.344 -21.531 -8.278 167 H2* G 16 H2' G 16 12.016 -22.818 -7.096 168 2HO* G 16 2HO' G 16 10.444 -23.911 -5.154 169 H1* G 16 H1' G 16 10.418 -25.072 -6.754 170 H8 G 16 H8 G 16 12.880 -25.583 -8.003 171 H1 G 16 H1 G 16 9.931 -24.094 -13.502 172 1H2 G 16 H21 G 16 8.097 -22.919 -13.093 173 2H2 G 16 H22 G 16 7.496 -22.686 -11.464 174 1H5* G 17 H5' G 17 13.703 -21.479 -3.843 175 2H5* G 17 H5'' G 17 13.790 -19.936 -4.718 176 H4* G 17 H4' G 17 15.431 -22.124 -5.191 177 H3* G 17 H3' G 17 14.625 -19.903 -7.162 178 H2* G 17 H2' G 17 16.082 -21.091 -8.724 179 2HO* G 17 2HO' G 17 17.096 -22.064 -6.346 180 H1* G 17 H1' G 17 15.053 -23.586 -8.112 181 H8 G 17 H8 G 17 12.631 -20.568 -8.152 182 H1 G 17 H1 G 17 13.378 -23.521 -13.791 183 1H2 G 17 H21 G 17 14.872 -25.153 -13.606 184 2H2 G 17 H22 G 17 15.817 -25.374 -12.149 185 1H5* A 18 H5' A 18 18.426 -20.943 -7.458 186 2H5* A 18 H5'' A 18 19.637 -19.650 -7.546 187 H4* A 18 H4' A 18 19.904 -21.300 -9.361 188 H3* A 18 H3' A 18 19.019 -18.507 -10.270 189 H2* A 18 H2' A 18 19.252 -19.349 -12.517 190 2HO* A 18 2HO' A 18 20.341 -21.406 -12.837 191 H1* A 18 H1' A 18 18.314 -21.951 -11.951 192 H8 A 18 H8 A 18 15.831 -19.576 -10.443 193 1H6 A 18 H61 A 18 13.574 -18.786 -16.160 194 2H6 A 18 H62 A 18 13.251 -18.588 -14.453 195 H2 A 18 H2 A 18 17.445 -20.991 -16.500 196 1H5* C 19 H5' C 19 21.580 -19.514 -13.171 197 2H5* C 19 H5'' C 19 23.006 -18.477 -12.962 198 H4* C 19 H4' C 19 22.527 -18.218 -15.232 199 H3* C 19 H3' C 19 21.005 -15.988 -13.777 200 H2* C 19 H2' C 19 20.259 -15.266 -15.955 201 2HO* C 19 2HO' C 19 22.620 -16.477 -16.676 202 H1* C 19 H1' C 19 19.896 -17.844 -17.021 203 1H4 C 19 H41 C 19 14.069 -15.944 -15.246 204 2H4 C 19 H42 C 19 14.446 -16.194 -13.556 205 H5 C 19 H5 C 19 16.723 -16.720 -12.783 206 H6 C 19 H6 C 19 18.993 -17.249 -13.504 207 1H5* C 20 H5' C 20 22.944 -14.312 -17.053 208 2H5* C 20 H5'' C 20 24.164 -13.145 -16.502 209 H4* C 20 H4' C 20 23.140 -11.958 -18.218 210 H3* C 20 H3' C 20 21.519 -11.299 -15.700 211 H2* C 20 H2' C 20 20.140 -9.916 -17.102 212 2HO* C 20 2HO' C 20 22.016 -10.241 -19.220 213 H1* C 20 H1' C 20 20.203 -11.592 -19.366 214 1H4 C 20 H41 C 20 14.547 -12.677 -16.624 215 2H4 C 20 H42 C 20 15.290 -13.515 -15.279 216 H5 C 20 H5 C 20 17.734 -13.542 -14.940 217 H6 C 20 H6 C 20 19.882 -12.959 -15.940 218 1H5* G 21 H5' G 21 23.366 -7.229 -17.646 219 2H5* G 21 H5'' G 21 22.942 -6.026 -16.411 220 H4* G 21 H4' G 21 21.999 -5.848 -18.898 221 H3* G 21 H3' G 21 20.446 -5.252 -16.331 222 H2* G 21 H2' G 21 18.553 -4.729 -17.742 223 2HO* G 21 2HO' G 21 19.816 -3.499 -19.257 224 H1* G 21 H1' G 21 18.915 -6.792 -19.561 225 H8 G 21 H8 G 21 19.567 -7.952 -15.984 226 H1 G 21 H1 G 21 13.361 -7.856 -17.628 227 1H2 G 21 H21 G 21 13.113 -6.860 -19.596 228 2H2 G 21 H22 G 21 14.468 -6.185 -20.473 229 1H5* G 22 H5' G 22 21.195 -1.026 -18.297 230 2H5* G 22 H5'' G 22 21.238 0.124 -16.943 231 H4* G 22 H4' G 22 19.384 0.455 -18.672 232 H3* G 22 H3' G 22 18.803 0.194 -15.688 233 H2* G 22 H2' G 22 16.451 0.413 -16.182 234 2HO* G 22 2HO' G 22 16.237 0.752 -18.752 235 H1* G 22 H1' G 22 16.403 -1.214 -18.410 236 H8 G 22 H8 G 22 18.797 -3.011 -16.218 237 H1 G 22 H1 G 22 12.764 -3.426 -14.053 238 1H2 G 22 H21 G 22 11.460 -2.013 -15.170 239 2H2 G 22 H22 G 22 12.119 -0.843 -16.292 240 1H5* C 23 H5' C 23 17.348 4.519 -15.450 241 2H5* C 23 H5'' C 23 17.975 4.761 -13.807 242 H4* C 23 H4' C 23 15.398 4.592 -14.170 243 H3* C 23 H3' C 23 16.927 3.058 -12.008 244 H2* C 23 H2' C 23 14.804 2.140 -11.301 245 2HO* C 23 2HO' C 23 13.259 3.605 -11.370 246 H1* C 23 H1' C 23 13.827 1.610 -13.825 247 1H4 C 23 H41 C 23 16.753 -3.671 -11.730 248 2H4 C 23 H42 C 23 18.200 -3.211 -12.600 249 H5 C 23 H5 C 23 18.471 -0.983 -13.616 250 H6 C 23 H6 C 23 17.343 1.123 -14.114 251 1H5* U 24 H5' U 24 14.176 5.443 -9.271 252 2H5* U 24 H5'' U 24 15.224 5.679 -7.858 253 H4* U 24 H4' U 24 13.067 4.230 -7.613 254 H3* U 24 H3' U 24 15.819 3.372 -6.585 255 H2* U 24 H2' U 24 14.792 1.355 -5.793 256 2HO* U 24 2HO' U 24 12.974 2.726 -4.930 257 H1* U 24 H1' U 24 12.932 1.063 -7.890 258 H3 U 24 H3 U 24 15.759 -2.570 -7.755 259 H5 U 24 H5 U 24 17.773 0.371 -10.013 260 H6 U 24 H6 U 24 16.054 1.955 -9.345 261 1H5* U 25 H5' U 25 12.651 3.491 -2.972 262 2H5* U 25 H5'' U 25 13.719 3.679 -1.567 263 H4* U 25 H4' U 25 12.067 1.657 -1.652 264 H3* U 25 H3' U 25 15.021 1.460 -0.889 265 H2* U 25 H2' U 25 14.725 -0.922 -0.619 266 2HO* U 25 2HO' U 25 12.869 -1.580 0.149 267 H1* U 25 H1' U 25 13.176 -1.334 -2.869 268 H3 U 25 H3 U 25 17.349 -3.046 -3.740 269 H5 U 25 H5 U 25 17.686 1.094 -4.478 270 H6 U 25 H6 U 25 15.455 1.365 -3.552 271 1H5* C 26 H5' C 26 13.812 -0.764 1.982 272 2H5* C 26 H5'' C 26 13.854 0.049 3.561 273 H4* C 26 H4' C 26 15.048 -1.886 4.031 274 H3* C 26 H3' C 26 17.122 0.131 3.029 275 H2* C 26 H2' C 26 18.784 -1.593 3.291 276 2HO* C 26 2HO' C 26 18.319 -3.477 4.497 277 H1* C 26 H1' C 26 17.211 -3.713 2.368 278 1H4 C 26 H41 C 26 20.767 -1.853 -2.596 279 2H4 C 26 H42 C 26 19.653 -0.553 -2.952 280 H5 C 26 H5 C 26 17.845 0.086 -1.403 281 H6 C 26 H6 C 26 16.662 -0.546 0.635 282 1H5* C 27 H5' C 27 19.183 -1.860 5.708 283 2H5* C 27 H5'' C 27 19.211 -0.901 7.201 284 H4* C 27 H4' C 27 21.395 -1.816 6.954 285 H3* C 27 H3' C 27 21.377 1.062 5.925 286 H2* C 27 H2' C 27 23.740 0.835 5.626 287 2HO* C 27 2HO' C 27 23.716 -0.477 7.775 288 H1* C 27 H1' C 27 23.616 -1.810 4.686 289 1H4 C 27 H41 C 27 24.267 2.093 -0.329 290 2H4 C 27 H42 C 27 22.536 2.049 -0.575 291 H5 C 27 H5 C 27 21.026 0.826 0.942 292 H6 C 27 H6 C 27 20.893 -0.398 3.050 293 H3T C 27 H3T C 27 22.276 1.392 7.981 294 1HN1 NCO 28 1HN1 NCO 28 12.850 -11.913 -13.436 295 2HN1 NCO 28 2HN1 NCO 28 12.670 -10.296 -13.423 296 3HN1 NCO 28 3HN1 NCO 28 14.159 -10.948 -13.460 297 1HN2 NCO 28 1HN2 NCO 28 13.884 -11.835 -8.726 298 2HN2 NCO 28 2HN2 NCO 28 13.721 -10.217 -8.716 299 3HN2 NCO 28 3HN2 NCO 28 12.401 -11.167 -8.692 300 1HN3 NCO 28 1HN3 NCO 28 14.681 -13.110 -10.502 301 2HN3 NCO 28 2HN3 NCO 28 13.154 -13.588 -10.791 302 3HN3 NCO 28 3HN3 NCO 28 14.150 -13.253 -12.032 303 1HN4 NCO 28 1HN4 NCO 28 15.335 -9.760 -11.829 304 2HN4 NCO 28 2HN4 NCO 28 15.473 -10.076 -10.239 305 3HN4 NCO 28 3HN4 NCO 28 15.807 -11.234 -11.330 306 1HN5 NCO 28 1HN5 NCO 28 13.410 -8.538 -11.364 307 2HN5 NCO 28 2HN5 NCO 28 11.880 -9.016 -11.645 308 3HN5 NCO 28 3HN5 NCO 28 12.419 -8.871 -10.117 309 1HN6 NCO 28 1HN6 NCO 28 10.757 -10.891 -10.821 310 2HN6 NCO 28 2HN6 NCO 28 11.091 -12.050 -11.913 311 3HN6 NCO 28 3HN6 NCO 28 11.230 -12.366 -10.324 Start of MODEL 5 1 1H5* G 1 H5' G 1 33.146 -6.199 -3.675 2 2H5* G 1 H5'' G 1 32.856 -6.968 -5.248 3 H4* G 1 H4' G 1 31.227 -7.769 -3.625 4 H3* G 1 H3' G 1 30.114 -5.940 -5.799 5 H2* G 1 H2' G 1 27.977 -6.024 -4.768 6 2HO* G 1 2HO' G 1 28.860 -8.231 -3.198 7 H1* G 1 H1' G 1 28.806 -6.255 -2.091 8 H8 G 1 H8 G 1 28.961 -3.907 -5.168 9 H1 G 1 H1 G 1 27.401 -1.090 0.386 10 1H2 G 1 H21 G 1 27.670 -2.527 2.063 11 2H2 G 1 H22 G 1 28.029 -4.215 1.780 12 H5T G 1 H5T G 1 32.701 -4.332 -4.506 13 1H5* G 2 H5' G 2 28.713 -10.807 -5.725 14 2H5* G 2 H5'' G 2 27.284 -10.953 -6.769 15 H4* G 2 H4' G 2 27.208 -11.792 -4.259 16 H3* G 2 H3' G 2 25.011 -10.279 -5.744 17 H2* G 2 H2' G 2 23.724 -10.202 -3.710 18 2HO* G 2 2HO' G 2 25.625 -12.098 -2.720 19 H1* G 2 H1' G 2 25.794 -9.625 -1.977 20 H8 G 2 H8 G 2 26.521 -7.724 -5.134 21 H1 G 2 H1 G 2 21.942 -5.002 -1.551 22 1H2 G 2 H21 G 2 21.339 -6.382 0.082 23 2H2 G 2 H22 G 2 21.958 -8.015 0.189 24 1H5* A 3 H5' A 3 22.843 -12.387 -3.011 25 2H5* A 3 H5'' A 3 21.970 -13.618 -3.945 26 H4* A 3 H4' A 3 20.325 -12.595 -2.591 27 H3* A 3 H3' A 3 20.260 -11.399 -5.404 28 H2* A 3 H2' A 3 18.468 -9.962 -4.675 29 2HO* A 3 2HO' A 3 17.434 -10.366 -2.643 30 H1* A 3 H1' A 3 19.497 -9.363 -2.169 31 H8 A 3 H8 A 3 21.980 -9.564 -5.140 32 1H6 A 3 H61 A 3 21.111 -3.443 -5.587 33 2H6 A 3 H62 A 3 21.995 -4.816 -6.214 34 H2 A 3 H2 A 3 18.293 -5.015 -2.498 35 1H5* A 4 H5' A 4 16.545 -12.477 -3.599 36 2H5* A 4 H5'' A 4 15.186 -12.828 -4.687 37 H4* A 4 H4' A 4 14.985 -10.852 -2.988 38 H3* A 4 H3' A 4 14.229 -10.676 -5.945 39 H2* A 4 H2' A 4 13.671 -8.372 -5.607 40 2HO* A 4 2HO' A 4 13.494 -9.188 -2.891 41 H1* A 4 H1' A 4 15.654 -7.786 -3.689 42 H8 A 4 H8 A 4 17.205 -9.602 -6.617 43 1H6 A 4 H61 A 4 17.536 -4.066 -9.392 44 2H6 A 4 H62 A 4 17.924 -5.767 -9.540 45 H2 A 4 H2 A 4 14.979 -3.636 -5.755 46 1H5* G 5 H5' G 5 11.470 -8.598 -3.685 47 2H5* G 5 H5'' G 5 9.832 -9.240 -3.927 48 H4* G 5 H4' G 5 9.643 -6.883 -4.166 49 H3* G 5 H3' G 5 9.723 -8.282 -6.877 50 H2* G 5 H2' G 5 9.728 -6.169 -7.963 51 2HO* G 5 2HO' G 5 9.151 -4.345 -6.200 52 H1* G 5 H1' G 5 11.041 -4.670 -5.921 53 H8 G 5 H8 G 5 12.425 -7.921 -7.536 54 H1 G 5 H1 G 5 14.698 -2.433 -9.964 55 1H2 G 5 H21 G 5 13.582 -0.709 -9.113 56 2H2 G 5 H22 G 5 12.442 -0.907 -7.800 57 1H5* U 6 H5' U 6 6.183 -6.558 -5.019 58 2H5* U 6 H5'' U 6 4.502 -7.082 -4.786 59 H4* U 6 H4' U 6 4.226 -7.165 -7.258 60 H3* U 6 H3' U 6 7.040 -6.929 -7.475 61 H2* U 6 H2' U 6 7.250 -4.596 -7.084 62 2HO* U 6 2HO' U 6 6.169 -3.703 -9.329 63 H1* U 6 H1' U 6 4.522 -3.921 -8.183 64 H3 U 6 H3 U 6 5.412 0.191 -6.460 65 H5 U 6 H5 U 6 6.152 -2.416 -3.227 66 H6 U 6 H6 U 6 5.745 -4.278 -4.732 67 1H5* C 7 H5' C 7 2.606 -5.743 -11.672 68 2H5* C 7 H5'' C 7 2.833 -7.279 -12.532 69 H4* C 7 H4' C 7 3.283 -5.067 -13.807 70 H3* C 7 H3' C 7 5.237 -7.419 -13.773 71 H2* C 7 H2' C 7 6.704 -6.130 -15.159 72 2HO* C 7 2HO' C 7 5.647 -4.024 -15.993 73 H1* C 7 H1' C 7 6.117 -3.601 -14.053 74 1H4 C 7 H41 C 7 11.847 -5.520 -11.961 75 2H4 C 7 H42 C 7 11.101 -6.054 -10.471 76 H5 C 7 H5 C 7 8.668 -5.895 -10.094 77 H6 C 7 H6 C 7 6.523 -5.414 -11.155 78 1H5* C 8 H5' C 8 4.467 -6.144 -17.833 79 2H5* C 8 H5'' C 8 3.659 -7.465 -18.703 80 H4* C 8 H4' C 8 5.204 -6.658 -20.270 81 H3* C 8 H3' C 8 6.448 -9.021 -18.787 82 H2* C 8 H2' C 8 8.475 -8.679 -20.043 83 2HO* C 8 2HO' C 8 7.501 -6.595 -21.605 84 H1* C 8 H1' C 8 8.532 -5.925 -19.896 85 1H4 C 8 H41 C 8 11.936 -7.825 -14.848 86 2H4 C 8 H42 C 8 10.489 -8.278 -13.976 87 H5 C 8 H5 C 8 8.246 -8.121 -14.973 88 H6 C 8 H6 C 8 7.006 -7.554 -16.997 89 1H5* G 9 H5' G 9 7.098 -9.510 -23.102 90 2H5* G 9 H5'' G 9 6.715 -11.183 -23.554 91 H4* G 9 H4' G 9 8.928 -10.541 -24.386 92 H3* G 9 H3' G 9 8.937 -12.610 -22.127 93 H2* G 9 H2' G 9 11.337 -12.693 -22.367 94 2HO* G 9 2HO' G 9 12.224 -12.371 -24.271 95 H1* G 9 H1' G 9 11.722 -9.966 -22.720 96 H8 G 9 H8 G 9 9.093 -10.920 -20.068 97 H1 G 9 H1 G 9 15.135 -10.630 -17.917 98 1H2 G 9 H21 G 9 16.534 -10.381 -19.626 99 2H2 G 9 H22 G 9 15.966 -10.179 -21.267 100 1H5* G 10 H5' G 10 11.587 -14.054 -25.617 101 2H5* G 10 H5'' G 10 11.401 -15.819 -25.545 102 H4* G 10 H4' G 10 13.785 -14.885 -25.402 103 H3* G 10 H3' G 10 12.700 -16.787 -23.254 104 H2* G 10 H2' G 10 14.927 -16.716 -22.289 105 2HO* G 10 2HO' G 10 15.557 -16.071 -24.874 106 H1* G 10 H1' G 10 15.253 -13.992 -22.526 107 H8 G 10 H8 G 10 11.629 -14.902 -21.709 108 H1 G 10 H1 G 10 15.505 -14.685 -16.603 109 1H2 G 10 H21 G 10 17.621 -14.524 -17.262 110 2H2 G 10 H22 G 10 18.052 -14.332 -18.947 111 1H5* U 11 H5' U 11 16.299 -18.859 -24.723 112 2H5* U 11 H5'' U 11 15.809 -20.537 -25.022 113 H4* U 11 H4' U 11 17.749 -20.501 -23.562 114 H3* U 11 H3' U 11 15.159 -21.285 -22.112 115 H2* U 11 H2' U 11 16.541 -21.659 -20.182 116 2HO* U 11 2HO' U 11 18.975 -21.090 -20.820 117 H1* U 11 H1' U 11 18.043 -19.362 -20.432 118 H3 U 11 H3 U 11 15.240 -18.373 -16.970 119 H5 U 11 H5 U 11 12.821 -18.008 -20.410 120 H6 U 11 H6 U 11 14.656 -18.926 -21.709 121 1H5* C 12 H5' C 12 18.392 -23.309 -20.193 122 2H5* C 12 H5'' C 12 18.153 -24.965 -20.782 123 H4* C 12 H4' C 12 18.577 -25.158 -18.453 124 H3* C 12 H3' C 12 15.549 -25.282 -18.920 125 H2* C 12 H2' C 12 15.404 -25.763 -16.538 126 2HO* C 12 2HO' C 12 16.945 -26.943 -15.715 127 H1* C 12 H1' C 12 17.365 -23.923 -15.793 128 1H4 C 12 H41 C 12 11.569 -21.345 -14.885 129 2H4 C 12 H42 C 12 11.913 -20.266 -16.220 130 H5 C 12 H5 C 12 13.823 -20.618 -17.729 131 H6 C 12 H6 C 12 15.831 -21.936 -18.113 132 1H5* U 13 H5' U 13 15.456 -28.089 -16.289 133 2H5* U 13 H5'' U 13 14.311 -29.302 -16.892 134 H4* U 13 H4' U 13 13.561 -27.967 -14.863 135 H3* U 13 H3' U 13 11.854 -28.013 -17.402 136 H2* U 13 H2' U 13 10.270 -26.634 -16.253 137 2HO* U 13 2HO' U 13 11.243 -26.558 -13.749 138 H1* U 13 H1' U 13 12.148 -25.175 -14.701 139 H3 U 13 H3 U 13 9.376 -22.685 -17.604 140 H5 U 13 H5 U 13 13.195 -23.080 -19.347 141 H6 U 13 H6 U 13 13.719 -24.728 -17.643 142 1H5* U 14 H5' U 14 9.640 -28.386 -13.200 143 2H5* U 14 H5'' U 14 10.780 -29.709 -13.492 144 H4* U 14 H4' U 14 8.458 -31.100 -13.134 145 H3* U 14 H3' U 14 7.463 -28.780 -12.105 146 H2* U 14 H2' U 14 9.259 -28.285 -10.568 147 2HO* U 14 2HO' U 14 8.531 -29.249 -8.496 148 H1* U 14 H1' U 14 9.428 -31.180 -9.673 149 H3 U 14 H3 U 14 13.386 -30.367 -7.627 150 H5 U 14 H5 U 14 13.507 -27.743 -10.929 151 H6 U 14 H6 U 14 11.296 -28.536 -11.557 152 1H5* C 15 H5' C 15 6.806 -27.662 -9.746 153 2H5* C 15 H5'' C 15 5.093 -27.698 -9.297 154 H4* C 15 H4' C 15 5.979 -25.428 -9.907 155 H3* C 15 H3' C 15 3.436 -26.345 -10.535 156 H2* C 15 H2' C 15 4.113 -27.120 -12.790 157 2HO* C 15 2HO' C 15 2.370 -25.401 -12.703 158 H1* C 15 H1' C 15 5.579 -24.459 -13.026 159 1H4 C 15 H41 C 15 6.567 -27.613 -18.552 160 2H4 C 15 H42 C 15 7.935 -28.400 -17.797 161 H5 C 15 H5 C 15 8.483 -28.066 -15.419 162 H6 C 15 H6 C 15 7.820 -26.991 -13.356 163 1H5* G 16 H5' G 16 6.514 -21.238 -9.829 164 2H5* G 16 H5'' G 16 6.539 -22.867 -10.536 165 H4* G 16 H4' G 16 6.032 -23.011 -7.680 166 H3* G 16 H3' G 16 8.552 -21.495 -8.527 167 H2* G 16 H2' G 16 9.706 -22.713 -6.755 168 2HO* G 16 2HO' G 16 7.118 -22.919 -5.827 169 H1* G 16 H1' G 16 8.610 -25.160 -7.356 170 H8 G 16 H8 G 16 11.500 -24.641 -7.505 171 H1 G 16 H1 G 16 10.261 -24.151 -13.782 172 1H2 G 16 H21 G 16 8.104 -23.733 -14.096 173 2H2 G 16 H22 G 16 7.036 -23.385 -12.756 174 1H5* G 17 H5' G 17 10.116 -19.364 -4.343 175 2H5* G 17 H5'' G 17 10.553 -18.109 -5.517 176 H4* G 17 H4' G 17 12.200 -20.195 -4.740 177 H3* G 17 H3' G 17 12.204 -18.599 -7.364 178 H2* G 17 H2' G 17 14.078 -20.019 -8.018 179 2HO* G 17 2HO' G 17 14.268 -20.286 -5.305 180 H1* G 17 H1' G 17 12.847 -22.367 -7.306 181 H8 G 17 H8 G 17 10.262 -19.801 -8.397 182 H1 G 17 H1 G 17 13.296 -22.588 -13.307 183 1H2 G 17 H21 G 17 14.938 -23.880 -12.553 184 2H2 G 17 H22 G 17 15.396 -23.895 -10.864 185 1H5* A 18 H5' A 18 15.777 -19.136 -6.198 186 2H5* A 18 H5'' A 18 17.033 -17.889 -6.339 187 H4* A 18 H4' A 18 17.526 -19.964 -7.641 188 H3* A 18 H3' A 18 17.145 -17.368 -9.227 189 H2* A 18 H2' A 18 17.743 -18.648 -11.182 190 2HO* A 18 2HO' A 18 19.220 -20.147 -10.977 191 H1* A 18 H1' A 18 16.393 -20.995 -10.429 192 H8 A 18 H8 A 18 13.830 -18.463 -9.747 193 1H6 A 18 H61 A 18 12.960 -17.908 -15.858 194 2H6 A 18 H62 A 18 12.376 -17.433 -14.279 195 H2 A 18 H2 A 18 16.778 -20.136 -15.204 196 1H5* C 19 H5' C 19 20.237 -18.421 -10.869 197 2H5* C 19 H5'' C 19 21.704 -17.490 -10.505 198 H4* C 19 H4' C 19 21.740 -17.382 -12.813 199 H3* C 19 H3' C 19 19.893 -15.064 -12.016 200 H2* C 19 H2' C 19 19.674 -14.625 -14.380 201 2HO* C 19 2HO' C 19 22.155 -15.326 -14.441 202 H1* C 19 H1' C 19 19.597 -17.315 -15.177 203 1H4 C 19 H41 C 19 13.510 -15.427 -15.077 204 2H4 C 19 H42 C 19 13.484 -15.406 -13.328 205 H5 C 19 H5 C 19 15.469 -15.940 -11.976 206 H6 C 19 H6 C 19 17.843 -16.492 -12.064 207 1H5* C 20 H5' C 20 22.473 -13.492 -14.882 208 2H5* C 20 H5'' C 20 23.483 -12.244 -14.124 209 H4* C 20 H4' C 20 22.800 -11.161 -16.065 210 H3* C 20 H3' C 20 20.631 -10.531 -13.991 211 H2* C 20 H2' C 20 19.549 -9.247 -15.719 212 2HO* C 20 2HO' C 20 20.746 -8.188 -17.108 213 H1* C 20 H1' C 20 20.154 -11.003 -17.831 214 1H4 C 20 H41 C 20 14.117 -12.279 -16.223 215 2H4 C 20 H42 C 20 14.619 -13.085 -14.753 216 H5 C 20 H5 C 20 16.954 -13.031 -13.960 217 H6 C 20 H6 C 20 19.227 -12.353 -14.528 218 1H5* G 21 H5' G 21 22.331 -6.742 -16.222 219 2H5* G 21 H5'' G 21 21.670 -5.364 -15.319 220 H4* G 21 H4' G 21 21.020 -5.790 -17.869 221 H3* G 21 H3' G 21 19.099 -4.862 -15.675 222 H2* G 21 H2' G 21 17.412 -4.778 -17.418 223 2HO* G 21 2HO' G 21 18.093 -4.103 -19.301 224 H1* G 21 H1' G 21 18.154 -7.144 -18.668 225 H8 G 21 H8 G 21 18.349 -7.435 -14.863 226 H1 G 21 H1 G 21 12.465 -8.303 -17.280 227 1H2 G 21 H21 G 21 12.428 -7.693 -19.418 228 2H2 G 21 H22 G 21 13.890 -7.267 -20.281 229 1H5* G 22 H5' G 22 19.060 -1.999 -18.475 230 2H5* G 22 H5'' G 22 19.508 -0.318 -18.118 231 H4* G 22 H4' G 22 17.358 -0.155 -19.059 232 H3* G 22 H3' G 22 17.145 -0.123 -16.019 233 H2* G 22 H2' G 22 14.744 0.028 -16.261 234 2HO* G 22 2HO' G 22 15.366 0.603 -18.989 235 H1* G 22 H1' G 22 14.490 -1.822 -18.295 236 H8 G 22 H8 G 22 17.200 -3.041 -15.929 237 H1 G 22 H1 G 22 11.227 -4.127 -13.822 238 1H2 G 22 H21 G 22 9.773 -2.969 -15.044 239 2H2 G 22 H22 G 22 10.262 -2.109 -16.486 240 1H5* C 23 H5' C 23 14.996 3.092 -16.240 241 2H5* C 23 H5'' C 23 15.768 4.469 -15.428 242 H4* C 23 H4' C 23 13.758 4.079 -14.239 243 H3* C 23 H3' C 23 16.114 2.800 -12.759 244 H2* C 23 H2' C 23 14.530 2.122 -11.058 245 2HO* C 23 2HO' C 23 13.200 3.811 -10.758 246 H1* C 23 H1' C 23 12.560 1.268 -12.798 247 1H4 C 23 H41 C 23 16.107 -3.879 -11.536 248 2H4 C 23 H42 C 23 17.301 -3.400 -12.721 249 H5 C 23 H5 C 23 17.103 -1.320 -14.018 250 H6 C 23 H6 C 23 15.805 0.728 -14.309 251 1H5* U 24 H5' U 24 15.015 5.795 -9.402 252 2H5* U 24 H5'' U 24 16.574 5.783 -8.556 253 H4* U 24 H4' U 24 14.396 4.644 -7.500 254 H3* U 24 H3' U 24 17.252 3.539 -7.369 255 H2* U 24 H2' U 24 16.349 1.703 -6.103 256 2HO* U 24 2HO' U 24 14.493 3.645 -5.462 257 H1* U 24 H1' U 24 13.920 1.505 -7.514 258 H3 U 24 H3 U 24 16.308 -2.391 -8.040 259 H5 U 24 H5 U 24 17.838 0.276 -10.931 260 H6 U 24 H6 U 24 16.545 2.045 -9.874 261 1H5* U 25 H5' U 25 15.104 4.112 -3.431 262 2H5* U 25 H5'' U 25 16.185 3.979 -2.028 263 H4* U 25 H4' U 25 14.206 2.257 -2.369 264 H3* U 25 H3' U 25 17.040 1.592 -1.445 265 H2* U 25 H2' U 25 16.423 -0.735 -1.404 266 2HO* U 25 2HO' U 25 14.310 -1.381 -1.302 267 H1* U 25 H1' U 25 14.912 -0.750 -3.733 268 H3 U 25 H3 U 25 18.759 -3.109 -4.570 269 H5 U 25 H5 U 25 19.824 0.944 -5.056 270 H6 U 25 H6 U 25 17.644 1.546 -4.163 271 1H5* C 26 H5' C 26 15.383 -0.955 0.707 272 2H5* C 26 H5'' C 26 15.152 -0.352 2.361 273 H4* C 26 H4' C 26 16.002 -2.485 2.751 274 H3* C 26 H3' C 26 18.396 -0.585 2.631 275 H2* C 26 H2' C 26 19.840 -2.477 2.896 276 2HO* C 26 2HO' C 26 19.246 -3.994 4.242 277 H1* C 26 H1' C 26 18.293 -4.328 1.434 278 1H4 C 26 H41 C 26 23.111 -2.692 -2.393 279 2H4 C 26 H42 C 26 22.316 -1.194 -2.824 280 H5 C 26 H5 C 26 20.118 -0.565 -1.902 281 H6 C 26 H6 C 26 18.420 -1.146 -0.248 282 1H5* C 27 H5' C 27 20.766 0.921 5.547 283 2H5* C 27 H5'' C 27 20.592 0.050 4.010 284 H4* C 27 H4' C 27 21.902 -1.364 6.307 285 H3* C 27 H3' C 27 23.213 0.820 4.624 286 H2* C 27 H2' C 27 25.221 -0.498 4.645 287 2HO* C 27 2HO' C 27 25.459 -1.352 6.611 288 H1* C 27 H1' C 27 23.960 -2.899 4.124 289 1H4 C 27 H41 C 27 25.742 -0.244 -1.432 290 2H4 C 27 H42 C 27 24.069 0.172 -1.726 291 H5 C 27 H5 C 27 22.311 -0.157 -0.034 292 H6 C 27 H6 C 27 21.861 -0.910 2.243 293 H3T C 27 H3T C 27 23.091 -0.010 7.324 294 1HN1 NCO 28 1HN1 NCO 28 14.198 -7.918 -10.945 295 2HN1 NCO 28 2HN1 NCO 28 15.639 -8.554 -11.350 296 3HN1 NCO 28 3HN1 NCO 28 14.596 -8.098 -12.513 297 1HN2 NCO 28 1HN2 NCO 28 13.535 -12.795 -12.240 298 2HN2 NCO 28 2HN2 NCO 28 13.127 -12.612 -10.676 299 3HN2 NCO 28 3HN2 NCO 28 12.090 -12.162 -11.845 300 1HN3 NCO 28 1HN3 NCO 28 12.349 -10.700 -9.579 301 2HN3 NCO 28 2HN3 NCO 28 13.708 -9.954 -9.086 302 3HN3 NCO 28 3HN3 NCO 28 12.535 -9.101 -9.822 303 1HN4 NCO 28 1HN4 NCO 28 12.412 -8.763 -12.951 304 2HN4 NCO 28 2HN4 NCO 28 11.911 -10.286 -13.227 305 3HN4 NCO 28 3HN4 NCO 28 11.473 -9.522 -11.860 306 1HN5 NCO 28 1HN5 NCO 28 14.013 -10.774 -14.100 307 2HN5 NCO 28 2HN5 NCO 28 15.364 -10.008 -13.616 308 3HN5 NCO 28 3HN5 NCO 28 15.199 -11.604 -13.360 309 1HN6 NCO 28 1HN6 NCO 28 15.810 -10.427 -9.958 310 2HN6 NCO 28 2HN6 NCO 28 15.318 -11.950 -10.246 311 3HN6 NCO 28 3HN6 NCO 28 16.255 -11.178 -11.328 Start of MODEL 6 1 1H5* G 1 H5' G 1 32.776 -8.987 -3.880 2 2H5* G 1 H5'' G 1 32.234 -9.497 -5.492 3 H4* G 1 H4' G 1 30.510 -9.902 -3.773 4 H3* G 1 H3' G 1 29.889 -7.845 -5.940 5 H2* G 1 H2' G 1 27.825 -7.346 -4.875 6 2HO* G 1 2HO' G 1 27.336 -9.046 -3.035 7 H1* G 1 H1' G 1 28.602 -7.788 -2.208 8 H8 G 1 H8 G 1 29.292 -5.565 -5.299 9 H1 G 1 H1 G 1 28.814 -2.441 0.291 10 1H2 G 1 H21 G 1 28.742 -3.901 1.967 11 2H2 G 1 H22 G 1 28.602 -5.622 1.685 12 H5T G 1 H5T G 1 32.783 -6.969 -4.496 13 1H5* G 2 H5' G 2 27.344 -12.092 -5.431 14 2H5* G 2 H5'' G 2 25.961 -12.074 -6.546 15 H4* G 2 H4' G 2 25.551 -12.645 -4.033 16 H3* G 2 H3' G 2 23.886 -10.698 -5.688 17 H2* G 2 H2' G 2 22.603 -10.146 -3.728 18 2HO* G 2 2HO' G 2 22.345 -12.300 -2.994 19 H1* G 2 H1' G 2 24.688 -10.019 -1.932 20 H8 G 2 H8 G 2 25.976 -8.652 -5.198 21 H1 G 2 H1 G 2 22.305 -4.489 -1.976 22 1H2 G 2 H21 G 2 21.267 -5.525 -0.310 23 2H2 G 2 H22 G 2 21.537 -7.216 0.043 24 1H5* A 3 H5' A 3 20.769 -13.210 -3.606 25 2H5* A 3 H5'' A 3 19.384 -13.138 -4.714 26 H4* A 3 H4' A 3 19.233 -12.033 -2.322 27 H3* A 3 H3' A 3 18.224 -10.773 -4.923 28 H2* A 3 H2' A 3 17.522 -8.871 -3.620 29 2HO* A 3 2HO' A 3 17.862 -9.214 -1.172 30 H1* A 3 H1' A 3 19.730 -8.781 -1.930 31 H8 A 3 H8 A 3 21.066 -9.500 -5.366 32 1H6 A 3 H61 A 3 20.472 -3.441 -6.541 33 2H6 A 3 H62 A 3 21.180 -4.946 -7.086 34 H2 A 3 H2 A 3 18.404 -4.306 -2.678 35 1H5* A 4 H5' A 4 14.924 -10.506 -2.056 36 2H5* A 4 H5'' A 4 13.396 -10.614 -2.953 37 H4* A 4 H4' A 4 13.936 -8.431 -1.636 38 H3* A 4 H3' A 4 12.936 -8.487 -4.525 39 H2* A 4 H2' A 4 13.068 -6.096 -4.553 40 2HO* A 4 2HO' A 4 12.361 -6.449 -1.990 41 H1* A 4 H1' A 4 15.339 -5.835 -2.895 42 H8 A 4 H8 A 4 16.189 -8.402 -5.475 43 1H6 A 4 H61 A 4 17.316 -3.699 -9.355 44 2H6 A 4 H62 A 4 17.366 -5.438 -9.162 45 H2 A 4 H2 A 4 15.194 -2.062 -5.783 46 1H5* G 5 H5' G 5 8.472 -6.213 -4.746 47 2H5* G 5 H5'' G 5 9.836 -6.352 -5.873 48 H4* G 5 H4' G 5 9.356 -3.953 -4.077 49 H3* G 5 H3' G 5 7.738 -4.417 -6.292 50 H2* G 5 H2' G 5 9.584 -4.555 -7.892 51 2HO* G 5 2HO' G 5 9.766 -2.229 -8.656 52 H1* G 5 H1' G 5 10.870 -2.186 -6.463 53 H8 G 5 H8 G 5 12.418 -5.662 -6.925 54 H1 G 5 H1 G 5 14.603 -1.212 -11.002 55 1H2 G 5 H21 G 5 13.414 0.655 -10.796 56 2H2 G 5 H22 G 5 12.021 0.752 -9.743 57 1H5* U 6 H5' U 6 4.532 -1.155 -5.491 58 2H5* U 6 H5'' U 6 3.839 -2.460 -6.476 59 H4* U 6 H4' U 6 4.264 -0.786 -8.053 60 H3* U 6 H3' U 6 6.450 -2.853 -8.044 61 H2* U 6 H2' U 6 8.100 -1.316 -8.708 62 2HO* U 6 2HO' U 6 7.636 -0.149 -10.682 63 H1* U 6 H1' U 6 6.158 0.976 -8.976 64 H3 U 6 H3 U 6 10.157 3.216 -8.889 65 H5 U 6 H5 U 6 9.859 1.395 -5.094 66 H6 U 6 H6 U 6 7.896 0.209 -5.901 67 1H5* C 7 H5' C 7 2.045 -3.435 -11.368 68 2H5* C 7 H5'' C 7 2.430 -5.123 -11.762 69 H4* C 7 H4' C 7 2.666 -3.195 -13.582 70 H3* C 7 H3' C 7 4.572 -5.547 -13.160 71 H2* C 7 H2' C 7 5.967 -4.652 -14.887 72 2HO* C 7 2HO' C 7 3.954 -2.796 -15.629 73 H1* C 7 H1' C 7 5.509 -1.924 -14.360 74 1H4 C 7 H41 C 7 11.322 -3.670 -12.287 75 2H4 C 7 H42 C 7 10.708 -3.570 -10.650 76 H5 C 7 H5 C 7 8.291 -3.408 -10.163 77 H6 C 7 H6 C 7 6.084 -3.106 -11.159 78 1H5* C 8 H5' C 8 2.790 -6.036 -17.573 79 2H5* C 8 H5'' C 8 2.709 -7.804 -17.722 80 H4* C 8 H4' C 8 3.981 -6.592 -19.559 81 H3* C 8 H3' C 8 5.286 -8.809 -17.912 82 H2* C 8 H2' C 8 7.316 -8.484 -19.173 83 2HO* C 8 2HO' C 8 5.514 -7.624 -21.028 84 H1* C 8 H1' C 8 7.284 -5.725 -19.195 85 1H4 C 8 H41 C 8 10.745 -7.454 -14.120 86 2H4 C 8 H42 C 8 9.302 -7.560 -13.139 87 H5 C 8 H5 C 8 7.064 -7.080 -14.045 88 H6 C 8 H6 C 8 5.802 -6.658 -16.088 89 1H5* G 9 H5' G 9 6.499 -9.141 -21.621 90 2H5* G 9 H5'' G 9 6.251 -10.711 -22.407 91 H4* G 9 H4' G 9 8.561 -10.099 -22.683 92 H3* G 9 H3' G 9 8.191 -12.254 -20.533 93 H2* G 9 H2' G 9 10.592 -12.276 -20.319 94 2HO* G 9 2HO' G 9 11.782 -10.907 -21.951 95 H1* G 9 H1' G 9 10.963 -9.523 -20.553 96 H8 G 9 H8 G 9 7.974 -10.581 -18.377 97 H1 G 9 H1 G 9 13.590 -10.289 -15.283 98 1H2 G 9 H21 G 9 15.247 -10.040 -16.743 99 2H2 G 9 H22 G 9 14.943 -9.763 -18.443 100 1H5* G 10 H5' G 10 11.327 -12.907 -23.405 101 2H5* G 10 H5'' G 10 11.673 -14.622 -23.703 102 H4* G 10 H4' G 10 13.583 -13.075 -22.828 103 H3* G 10 H3' G 10 12.938 -15.808 -21.596 104 H2* G 10 H2' G 10 14.839 -15.436 -20.139 105 2HO* G 10 2HO' G 10 15.418 -13.345 -21.989 106 H1* G 10 H1' G 10 14.286 -12.778 -19.603 107 H8 G 10 H8 G 10 10.942 -14.459 -19.643 108 H1 G 10 H1 G 10 14.318 -15.783 -14.356 109 1H2 G 10 H21 G 10 16.425 -15.143 -14.616 110 2H2 G 10 H22 G 10 16.997 -14.417 -16.102 111 1H5* U 11 H5' U 11 17.014 -17.285 -23.444 112 2H5* U 11 H5'' U 11 16.455 -18.942 -23.749 113 H4* U 11 H4' U 11 18.358 -18.574 -22.027 114 H3* U 11 H3' U 11 15.870 -20.246 -21.354 115 H2* U 11 H2' U 11 16.971 -20.736 -19.285 116 2HO* U 11 2HO' U 11 19.307 -19.383 -19.686 117 H1* U 11 H1' U 11 17.967 -18.174 -18.851 118 H3 U 11 H3 U 11 14.765 -19.003 -15.662 119 H5 U 11 H5 U 11 12.676 -17.547 -19.027 120 H6 U 11 H6 U 11 14.734 -17.743 -20.301 121 1H5* C 12 H5' C 12 19.192 -21.915 -19.250 122 2H5* C 12 H5'' C 12 19.475 -23.397 -20.182 123 H4* C 12 H4' C 12 19.572 -24.058 -17.910 124 H3* C 12 H3' C 12 16.757 -24.654 -18.965 125 H2* C 12 H2' C 12 16.386 -25.703 -16.797 126 2HO* C 12 2HO' C 12 18.508 -26.723 -16.823 127 H1* C 12 H1' C 12 17.740 -23.742 -15.345 128 1H4 C 12 H41 C 12 11.464 -22.604 -14.967 129 2H4 C 12 H42 C 12 11.639 -21.367 -16.191 130 H5 C 12 H5 C 12 13.797 -20.899 -17.279 131 H6 C 12 H6 C 12 16.110 -21.628 -17.494 132 1H5* U 13 H5' U 13 16.847 -27.989 -17.026 133 2H5* U 13 H5'' U 13 16.099 -29.180 -18.108 134 H4* U 13 H4' U 13 14.736 -28.578 -16.069 135 H3* U 13 H3' U 13 13.515 -28.025 -18.830 136 H2* U 13 H2' U 13 11.503 -27.451 -17.623 137 2HO* U 13 2HO' U 13 11.629 -27.848 -15.205 138 H1* U 13 H1' U 13 12.824 -26.132 -15.513 139 H3 U 13 H3 U 13 10.091 -23.515 -18.377 140 H5 U 13 H5 U 13 14.119 -22.988 -19.507 141 H6 U 13 H6 U 13 14.696 -24.811 -18.011 142 1H5* U 14 H5' U 14 9.725 -30.006 -16.672 143 2H5* U 14 H5'' U 14 11.402 -30.450 -16.326 144 H4* U 14 H4' U 14 9.208 -32.264 -17.300 145 H3* U 14 H3' U 14 9.668 -31.741 -14.635 146 H2* U 14 H2' U 14 11.963 -32.497 -14.558 147 2HO* U 14 2HO' U 14 10.799 -33.836 -13.138 148 H1* U 14 H1' U 14 11.296 -34.831 -16.384 149 H3 U 14 H3 U 14 15.678 -35.860 -16.815 150 H5 U 14 H5 U 14 15.757 -31.657 -16.473 151 H6 U 14 H6 U 14 13.340 -31.699 -16.239 152 1H5* C 15 H5' C 15 6.505 -32.662 -12.024 153 2H5* C 15 H5'' C 15 5.486 -31.902 -13.262 154 H4* C 15 H4' C 15 6.036 -30.410 -11.318 155 H3* C 15 H3' C 15 5.856 -29.498 -13.906 156 H2* C 15 H2' C 15 8.238 -29.974 -14.374 157 2HO* C 15 2HO' C 15 8.698 -27.996 -14.997 158 H1* C 15 H1' C 15 8.745 -28.525 -11.724 159 1H4 C 15 H41 C 15 14.540 -31.275 -11.709 160 2H4 C 15 H42 C 15 14.704 -30.710 -13.356 161 H5 C 15 H5 C 15 12.798 -29.853 -14.644 162 H6 C 15 H6 C 15 10.432 -29.313 -14.570 163 1H5* G 16 H5' G 16 5.946 -24.396 -10.667 164 2H5* G 16 H5'' G 16 7.065 -25.263 -11.739 165 H4* G 16 H4' G 16 6.012 -26.663 -9.300 166 H3* G 16 H3' G 16 8.167 -24.489 -9.260 167 H2* G 16 H2' G 16 9.392 -25.894 -7.692 168 2HO* G 16 2HO' G 16 7.084 -26.579 -6.848 169 H1* G 16 H1' G 16 9.014 -28.255 -9.050 170 H8 G 16 H8 G 16 11.687 -27.052 -8.605 171 H1 G 16 H1 G 16 10.904 -25.151 -14.685 172 1H2 G 16 H21 G 16 8.753 -25.160 -15.212 173 2H2 G 16 H22 G 16 7.522 -25.648 -14.069 174 1H5* G 17 H5' G 17 8.691 -23.433 -4.493 175 2H5* G 17 H5'' G 17 8.940 -21.823 -5.190 176 H4* G 17 H4' G 17 10.939 -23.691 -4.748 177 H3* G 17 H3' G 17 10.852 -21.393 -6.783 178 H2* G 17 H2' G 17 13.078 -22.149 -7.446 179 2HO* G 17 2HO' G 17 13.026 -23.160 -4.922 180 H1* G 17 H1' G 17 12.373 -24.791 -7.638 181 H8 G 17 H8 G 17 9.418 -22.528 -8.455 182 H1 G 17 H1 G 17 13.572 -23.132 -13.292 183 1H2 G 17 H21 G 17 15.339 -24.302 -12.645 184 2H2 G 17 H22 G 17 15.583 -24.745 -10.968 185 1H5* A 18 H5' A 18 14.150 -21.430 -5.185 186 2H5* A 18 H5'' A 18 15.011 -20.072 -4.435 187 H4* A 18 H4' A 18 16.430 -20.961 -6.146 188 H3* A 18 H3' A 18 15.050 -18.398 -7.116 189 H2* A 18 H2' A 18 16.426 -18.622 -9.090 190 2HO* A 18 2HO' A 18 18.386 -19.373 -8.849 191 H1* A 18 H1' A 18 16.199 -21.404 -9.277 192 H8 A 18 H8 A 18 12.738 -20.139 -8.565 193 1H6 A 18 H61 A 18 12.363 -18.629 -14.564 194 2H6 A 18 H62 A 18 11.455 -18.898 -13.092 195 H2 A 18 H2 A 18 16.613 -19.679 -13.674 196 1H5* C 19 H5' C 19 19.362 -16.627 -7.014 197 2H5* C 19 H5'' C 19 18.890 -14.925 -7.186 198 H4* C 19 H4' C 19 20.053 -16.267 -9.185 199 H3* C 19 H3' C 19 17.744 -14.269 -9.492 200 H2* C 19 H2' C 19 17.983 -14.640 -11.872 201 2HO* C 19 2HO' C 19 20.236 -16.287 -11.537 202 H1* C 19 H1' C 19 18.415 -17.392 -11.686 203 1H4 C 19 H41 C 19 12.254 -16.605 -13.139 204 2H4 C 19 H42 C 19 11.853 -16.370 -11.453 205 H5 C 19 H5 C 19 13.573 -16.255 -9.694 206 H6 C 19 H6 C 19 15.971 -16.338 -9.255 207 1H5* C 20 H5' C 20 20.556 -13.401 -12.015 208 2H5* C 20 H5'' C 20 21.359 -11.819 -11.964 209 H4* C 20 H4' C 20 20.823 -12.244 -14.251 210 H3* C 20 H3' C 20 18.775 -10.322 -13.014 211 H2* C 20 H2' C 20 17.814 -10.180 -15.230 212 2HO* C 20 2HO' C 20 19.303 -11.671 -16.774 213 H1* C 20 H1' C 20 18.074 -12.891 -15.832 214 1H4 C 20 H41 C 20 12.094 -11.964 -13.794 215 2H4 C 20 H42 C 20 12.587 -12.310 -12.151 216 H5 C 20 H5 C 20 14.958 -12.467 -11.502 217 H6 C 20 H6 C 20 17.245 -12.525 -12.343 218 1H5* G 21 H5' G 21 20.272 -8.864 -16.574 219 2H5* G 21 H5'' G 21 20.769 -7.161 -16.550 220 H4* G 21 H4' G 21 19.246 -7.737 -18.444 221 H3* G 21 H3' G 21 18.201 -5.708 -16.406 222 H2* G 21 H2' G 21 16.325 -5.453 -17.944 223 2HO* G 21 2HO' G 21 16.959 -7.188 -19.885 224 H1* G 21 H1' G 21 16.008 -8.162 -18.426 225 H8 G 21 H8 G 21 16.783 -8.156 -14.810 226 H1 G 21 H1 G 21 10.988 -5.665 -15.996 227 1H2 G 21 H21 G 21 10.784 -5.213 -18.161 228 2H2 G 21 H22 G 21 12.048 -5.588 -19.310 229 1H5* G 22 H5' G 22 18.666 -3.339 -19.870 230 2H5* G 22 H5'' G 22 19.491 -1.791 -19.591 231 H4* G 22 H4' G 22 17.276 -1.306 -20.386 232 H3* G 22 H3' G 22 17.565 -0.853 -17.377 233 H2* G 22 H2' G 22 15.265 -0.128 -17.365 234 2HO* G 22 2HO' G 22 14.678 1.035 -19.030 235 H1* G 22 H1' G 22 14.302 -2.042 -19.146 236 H8 G 22 H8 G 22 16.814 -3.567 -16.699 237 H1 G 22 H1 G 22 10.853 -2.973 -14.364 238 1H2 G 22 H21 G 22 9.585 -1.850 -15.808 239 2H2 G 22 H22 G 22 10.265 -1.081 -17.224 240 1H5* C 23 H5' C 23 17.474 3.815 -17.600 241 2H5* C 23 H5'' C 23 18.553 3.826 -16.189 242 H4* C 23 H4' C 23 16.001 4.545 -15.973 243 H3* C 23 H3' C 23 17.582 2.853 -13.970 244 H2* C 23 H2' C 23 15.570 2.736 -12.634 245 2HO* C 23 2HO' C 23 15.066 5.015 -13.040 246 H1* C 23 H1' C 23 13.825 2.270 -14.723 247 1H4 C 23 H41 C 23 15.671 -3.366 -12.330 248 2H4 C 23 H42 C 23 16.878 -3.503 -13.590 249 H5 C 23 H5 C 23 17.413 -1.637 -15.108 250 H6 C 23 H6 C 23 16.806 0.639 -15.747 251 1H5* U 24 H5' U 24 16.647 6.331 -11.019 252 2H5* U 24 H5'' U 24 18.068 6.121 -9.976 253 H4* U 24 H4' U 24 15.598 5.600 -9.098 254 H3* U 24 H3' U 24 18.122 3.981 -8.471 255 H2* U 24 H2' U 24 16.731 2.522 -7.166 256 2HO* U 24 2HO' U 24 15.228 4.846 -6.985 257 H1* U 24 H1' U 24 14.466 2.633 -8.832 258 H3 U 24 H3 U 24 16.165 -1.652 -8.494 259 H5 U 24 H5 U 24 18.200 0.179 -11.705 260 H6 U 24 H6 U 24 17.208 2.294 -11.029 261 1H5* U 25 H5' U 25 15.463 4.649 -4.857 262 2H5* U 25 H5'' U 25 16.591 5.301 -3.651 263 H4* U 25 H4' U 25 15.127 3.526 -2.725 264 H3* U 25 H3' U 25 18.126 2.939 -2.858 265 H2* U 25 H2' U 25 17.663 0.807 -1.826 266 2HO* U 25 2HO' U 25 15.416 0.446 -1.071 267 H1* U 25 H1' U 25 15.355 0.232 -3.259 268 H3 U 25 H3 U 25 18.447 -2.673 -4.951 269 H5 U 25 H5 U 25 19.530 1.061 -6.589 270 H6 U 25 H6 U 25 17.847 2.089 -5.167 271 1H5* C 26 H5' C 26 16.679 1.503 0.575 272 2H5* C 26 H5'' C 26 17.367 2.291 2.009 273 H4* C 26 H4' C 26 17.384 -0.069 2.418 274 H3* C 26 H3' C 26 20.160 0.984 1.681 275 H2* C 26 H2' C 26 20.991 -1.254 1.903 276 2HO* C 26 2HO' C 26 19.620 -2.857 2.963 277 H1* C 26 H1' C 26 18.702 -2.584 0.922 278 1H4 C 26 H41 C 26 22.835 -2.714 -3.921 279 2H4 C 26 H42 C 26 22.695 -0.989 -4.170 280 H5 C 26 H5 C 26 21.191 0.413 -2.812 281 H6 C 26 H6 C 26 19.747 0.446 -0.846 282 1H5* C 27 H5' C 27 21.091 -2.065 4.248 283 2H5* C 27 H5'' C 27 21.201 -1.195 5.793 284 H4* C 27 H4' C 27 22.997 -2.693 5.899 285 H3* C 27 H3' C 27 24.083 -0.109 4.680 286 H2* C 27 H2' C 27 26.238 -1.150 4.696 287 2HO* C 27 2HO' C 27 25.431 -3.505 5.921 288 H1* C 27 H1' C 27 25.306 -3.668 3.897 289 1H4 C 27 H41 C 27 27.574 -0.789 -1.315 290 2H4 C 27 H42 C 27 26.023 -0.031 -1.601 291 H5 C 27 H5 C 27 24.102 -0.373 -0.093 292 H6 C 27 H6 C 27 23.405 -1.303 2.052 293 H3T C 27 H3T C 27 23.537 0.108 6.822 294 1HN1 NCO 28 1HN1 NCO 28 12.053 -7.486 -10.701 295 2HN1 NCO 28 2HN1 NCO 28 12.502 -7.493 -9.139 296 3HN1 NCO 28 3HN1 NCO 28 13.173 -8.545 -10.182 297 1HN2 NCO 28 1HN2 NCO 28 8.572 -10.269 -8.858 298 2HN2 NCO 28 2HN2 NCO 28 9.241 -11.320 -9.904 299 3HN2 NCO 28 3HN2 NCO 28 9.692 -11.329 -8.341 300 1HN3 NCO 28 1HN3 NCO 28 11.826 -11.742 -9.190 301 2HN3 NCO 28 2HN3 NCO 28 12.905 -10.854 -10.021 302 3HN3 NCO 28 3HN3 NCO 28 12.777 -10.678 -8.410 303 1HN4 NCO 28 1HN4 NCO 28 10.509 -8.060 -7.394 304 2HN4 NCO 28 2HN4 NCO 28 10.575 -9.638 -7.004 305 3HN4 NCO 28 3HN4 NCO 28 11.948 -8.814 -7.292 306 1HN5 NCO 28 1HN5 NCO 28 8.836 -7.964 -9.023 307 2HN5 NCO 28 2HN5 NCO 28 9.920 -7.070 -9.840 308 3HN5 NCO 28 3HN5 NCO 28 8.975 -8.129 -10.635 309 1HN6 NCO 28 1HN6 NCO 28 9.796 -9.998 -11.750 310 2HN6 NCO 28 2HN6 NCO 28 11.172 -9.179 -12.038 311 3HN6 NCO 28 3HN6 NCO 28 11.230 -10.757 -11.646 Start of MODEL 7 1 1H5* G 1 H5' G 1 32.398 -8.111 -1.428 2 2H5* G 1 H5'' G 1 32.100 -8.829 -3.024 3 H4* G 1 H4' G 1 30.190 -9.206 -1.544 4 H3* G 1 H3' G 1 29.728 -7.305 -3.884 5 H2* G 1 H2' G 1 27.537 -6.856 -3.098 6 2HO* G 1 2HO' G 1 27.880 -9.385 -1.885 7 H1* G 1 H1' G 1 28.006 -7.112 -0.337 8 H8 G 1 H8 G 1 28.958 -5.026 -3.455 9 H1 G 1 H1 G 1 27.701 -1.638 1.852 10 1H2 G 1 H21 G 1 27.506 -3.009 3.595 11 2H2 G 1 H22 G 1 27.480 -4.748 3.400 12 H5T G 1 H5T G 1 32.536 -6.931 -3.757 13 1H5* G 2 H5' G 2 27.321 -11.614 -3.364 14 2H5* G 2 H5'' G 2 26.088 -11.745 -4.634 15 H4* G 2 H4' G 2 25.385 -12.171 -2.169 16 H3* G 2 H3' G 2 23.871 -10.388 -4.126 17 H2* G 2 H2' G 2 22.348 -9.766 -2.371 18 2HO* G 2 2HO' G 2 23.537 -11.898 -0.879 19 H1* G 2 H1' G 2 24.193 -9.484 -0.336 20 H8 G 2 H8 G 2 25.761 -8.235 -3.545 21 H1 G 2 H1 G 2 21.816 -3.989 -0.787 22 1H2 G 2 H21 G 2 20.735 -4.944 0.901 23 2H2 G 2 H22 G 2 20.848 -6.662 1.216 24 1H5* A 3 H5' A 3 20.964 -11.642 -1.326 25 2H5* A 3 H5'' A 3 20.018 -12.819 -2.258 26 H4* A 3 H4' A 3 18.440 -11.398 -1.181 27 H3* A 3 H3' A 3 18.805 -10.618 -4.116 28 H2* A 3 H2' A 3 17.200 -8.859 -3.773 29 2HO* A 3 2HO' A 3 15.688 -8.973 -2.212 30 H1* A 3 H1' A 3 18.030 -8.115 -1.215 31 H8 A 3 H8 A 3 20.770 -8.869 -3.850 32 1H6 A 3 H61 A 3 20.550 -2.797 -5.061 33 2H6 A 3 H62 A 3 21.454 -4.275 -5.306 34 H2 A 3 H2 A 3 17.321 -3.731 -2.118 35 1H5* A 4 H5' A 4 14.646 -10.844 -2.626 36 2H5* A 4 H5'' A 4 13.493 -11.132 -3.945 37 H4* A 4 H4' A 4 13.304 -8.946 -2.499 38 H3* A 4 H3' A 4 13.113 -9.041 -5.552 39 H2* A 4 H2' A 4 12.822 -6.660 -5.527 40 2HO* A 4 2HO' A 4 11.673 -7.272 -3.133 41 H1* A 4 H1' A 4 14.542 -6.119 -3.359 42 H8 A 4 H8 A 4 16.184 -8.474 -5.847 43 1H6 A 4 H61 A 4 17.711 -3.399 -9.068 44 2H6 A 4 H62 A 4 18.048 -5.100 -8.837 45 H2 A 4 H2 A 4 14.931 -2.177 -5.793 46 1H5* G 5 H5' G 5 10.285 -6.218 -4.129 47 2H5* G 5 H5'' G 5 8.692 -6.766 -4.688 48 H4* G 5 H4' G 5 9.144 -4.347 -5.127 49 H3* G 5 H3' G 5 8.020 -6.164 -7.054 50 H2* G 5 H2' G 5 9.876 -6.026 -8.588 51 2HO* G 5 2HO' G 5 8.728 -3.440 -8.965 52 H1* G 5 H1' G 5 10.382 -3.176 -7.620 53 H8 G 5 H8 G 5 12.478 -6.460 -7.901 54 H1 G 5 H1 G 5 14.652 -1.449 -11.273 55 1H2 G 5 H21 G 5 13.260 0.267 -11.063 56 2H2 G 5 H22 G 5 11.775 0.152 -10.146 57 1H5* U 6 H5' U 6 5.708 -1.140 -4.254 58 2H5* U 6 H5'' U 6 4.758 -2.048 -5.448 59 H4* U 6 H4' U 6 5.244 0.106 -6.387 60 H3* U 6 H3' U 6 5.916 -2.077 -7.891 61 H2* U 6 H2' U 6 8.204 -2.292 -7.077 62 2HO* U 6 2HO' U 6 8.351 -0.389 -9.207 63 H1* U 6 H1' U 6 8.612 0.707 -7.322 64 H3 U 6 H3 U 6 12.628 0.300 -5.266 65 H5 U 6 H5 U 6 10.256 -2.549 -3.251 66 H6 U 6 H6 U 6 8.420 -1.960 -4.732 67 1H5* C 7 H5' C 7 3.804 -1.889 -10.621 68 2H5* C 7 H5'' C 7 4.428 -3.548 -10.516 69 H4* C 7 H4' C 7 3.932 -2.217 -12.878 70 H3* C 7 H3' C 7 5.900 -4.482 -12.286 71 H2* C 7 H2' C 7 6.736 -4.251 -14.534 72 2HO* C 7 2HO' C 7 4.228 -3.618 -15.021 73 H1* C 7 H1' C 7 6.708 -1.477 -14.637 74 1H4 C 7 H41 C 7 12.616 -3.200 -12.961 75 2H4 C 7 H42 C 7 12.155 -3.259 -11.275 76 H5 C 7 H5 C 7 9.828 -2.927 -10.532 77 H6 C 7 H6 C 7 7.546 -2.506 -11.285 78 1H5* C 8 H5' C 8 3.526 -5.215 -16.370 79 2H5* C 8 H5'' C 8 3.242 -6.962 -16.226 80 H4* C 8 H4' C 8 4.226 -6.154 -18.434 81 H3* C 8 H3' C 8 5.609 -8.316 -16.772 82 H2* C 8 H2' C 8 7.316 -8.427 -18.471 83 2HO* C 8 2HO' C 8 6.953 -7.240 -20.485 84 H1* C 8 H1' C 8 7.517 -5.698 -18.942 85 1H4 C 8 H41 C 8 12.069 -7.086 -14.687 86 2H4 C 8 H42 C 8 10.930 -6.908 -13.371 87 H5 C 8 H5 C 8 8.505 -6.692 -13.754 88 H6 C 8 H6 C 8 6.782 -6.408 -15.458 89 1H5* G 9 H5' G 9 5.693 -9.024 -20.879 90 2H5* G 9 H5'' G 9 5.424 -10.722 -21.320 91 H4* G 9 H4' G 9 7.563 -9.677 -22.202 92 H3* G 9 H3' G 9 7.683 -12.190 -20.456 93 H2* G 9 H2' G 9 10.068 -12.163 -20.759 94 2HO* G 9 2HO' G 9 9.585 -10.247 -22.826 95 H1* G 9 H1' G 9 10.391 -9.380 -20.660 96 H8 G 9 H8 G 9 8.044 -10.581 -17.925 97 H1 G 9 H1 G 9 14.265 -11.331 -16.534 98 1H2 G 9 H21 G 9 15.501 -10.901 -18.326 99 2H2 G 9 H22 G 9 14.784 -10.522 -19.877 100 1H5* G 10 H5' G 10 10.433 -12.312 -23.488 101 2H5* G 10 H5'' G 10 10.201 -13.742 -24.513 102 H4* G 10 H4' G 10 12.557 -13.500 -23.937 103 H3* G 10 H3' G 10 11.132 -15.853 -22.605 104 H2* G 10 H2' G 10 13.178 -16.401 -21.492 105 2HO* G 10 2HO' G 10 15.105 -15.014 -22.383 106 H1* G 10 H1' G 10 14.139 -13.767 -21.152 107 H8 G 10 H8 G 10 10.488 -14.367 -20.121 108 H1 G 10 H1 G 10 14.821 -15.565 -15.539 109 1H2 G 10 H21 G 10 16.867 -15.539 -16.406 110 2H2 G 10 H22 G 10 17.161 -15.075 -18.066 111 1H5* U 11 H5' U 11 15.207 -17.010 -23.330 112 2H5* U 11 H5'' U 11 15.039 -18.268 -24.574 113 H4* U 11 H4' U 11 16.455 -19.304 -23.043 114 H3* U 11 H3' U 11 13.590 -20.053 -22.312 115 H2* U 11 H2' U 11 14.353 -21.070 -20.332 116 2HO* U 11 2HO' U 11 16.580 -21.523 -21.937 117 H1* U 11 H1' U 11 16.649 -19.518 -19.867 118 H3 U 11 H3 U 11 14.594 -18.445 -15.999 119 H5 U 11 H5 U 11 11.495 -18.022 -18.830 120 H6 U 11 H6 U 11 13.085 -18.625 -20.559 121 1H5* C 12 H5' C 12 16.970 -23.868 -22.611 122 2H5* C 12 H5'' C 12 15.763 -25.145 -22.858 123 H4* C 12 H4' C 12 17.572 -25.498 -21.035 124 H3* C 12 H3' C 12 14.585 -25.859 -20.476 125 H2* C 12 H2' C 12 15.249 -26.584 -18.240 126 2HO* C 12 2HO' C 12 17.949 -26.427 -19.142 127 H1* C 12 H1' C 12 17.102 -24.589 -17.858 128 1H4 C 12 H41 C 12 11.774 -22.209 -15.365 129 2H4 C 12 H42 C 12 11.324 -21.541 -16.917 130 H5 C 12 H5 C 12 12.670 -21.907 -18.946 131 H6 C 12 H6 C 12 14.586 -23.133 -19.867 132 1H5* U 13 H5' U 13 15.291 -28.916 -18.188 133 2H5* U 13 H5'' U 13 14.217 -30.182 -18.816 134 H4* U 13 H4' U 13 13.646 -29.400 -16.499 135 H3* U 13 H3' U 13 11.561 -29.011 -18.713 136 H2* U 13 H2' U 13 10.074 -28.243 -16.964 137 2HO* U 13 2HO' U 13 10.918 -28.367 -14.722 138 H1* U 13 H1' U 13 11.970 -26.674 -15.664 139 H3 U 13 H3 U 13 8.598 -24.456 -18.204 140 H5 U 13 H5 U 13 12.249 -24.293 -20.306 141 H6 U 13 H6 U 13 13.160 -25.871 -18.701 142 1H5* U 14 H5' U 14 8.682 -30.647 -15.197 143 2H5* U 14 H5'' U 14 10.390 -31.067 -15.402 144 H4* U 14 H4' U 14 8.041 -32.949 -15.360 145 H3* U 14 H3' U 14 9.395 -32.165 -13.095 146 H2* U 14 H2' U 14 11.595 -32.921 -13.766 147 2HO* U 14 2HO' U 14 10.117 -34.719 -12.296 148 H1* U 14 H1' U 14 10.402 -35.429 -14.995 149 H3 U 14 H3 U 14 14.372 -36.515 -16.867 150 H5 U 14 H5 U 14 14.437 -32.299 -16.977 151 H6 U 14 H6 U 14 12.263 -32.306 -15.894 152 1H5* C 15 H5' C 15 7.213 -32.666 -9.493 153 2H5* C 15 H5'' C 15 5.936 -32.108 -10.593 154 H4* C 15 H4' C 15 6.898 -30.362 -9.004 155 H3* C 15 H3' C 15 5.908 -29.811 -11.493 156 H2* C 15 H2' C 15 8.051 -30.358 -12.610 157 2HO* C 15 2HO' C 15 7.911 -27.551 -12.085 158 H1* C 15 H1' C 15 9.306 -28.512 -10.514 159 1H4 C 15 H41 C 15 14.848 -31.467 -11.894 160 2H4 C 15 H42 C 15 14.497 -31.096 -13.569 161 H5 C 15 H5 C 15 12.268 -30.361 -14.308 162 H6 C 15 H6 C 15 10.047 -29.720 -13.570 163 1H5* G 16 H5' G 16 6.025 -25.050 -9.139 164 2H5* G 16 H5'' G 16 7.318 -24.033 -9.803 165 H4* G 16 H4' G 16 7.466 -26.010 -7.669 166 H3* G 16 H3' G 16 9.510 -24.070 -8.890 167 H2* G 16 H2' G 16 11.178 -25.255 -7.583 168 2HO* G 16 2HO' G 16 10.555 -26.041 -5.718 169 H1* G 16 H1' G 16 10.294 -27.772 -8.246 170 H8 G 16 H8 G 16 12.955 -26.539 -8.882 171 H1 G 16 H1 G 16 10.243 -25.558 -14.608 172 1H2 G 16 H21 G 16 8.041 -25.749 -14.451 173 2H2 G 16 H22 G 16 7.250 -26.117 -12.935 174 1H5* G 17 H5' G 17 10.292 -24.047 -5.550 175 2H5* G 17 H5'' G 17 10.907 -22.888 -4.359 176 H4* G 17 H4' G 17 12.851 -23.804 -5.299 177 H3* G 17 H3' G 17 12.230 -21.214 -6.817 178 H2* G 17 H2' G 17 14.285 -21.621 -8.034 179 2HO* G 17 2HO' G 17 15.203 -23.878 -6.959 180 H1* G 17 H1' G 17 13.893 -24.353 -8.369 181 H8 G 17 H8 G 17 10.906 -21.903 -8.637 182 H1 G 17 H1 G 17 13.722 -23.380 -14.207 183 1H2 G 17 H21 G 17 15.477 -24.685 -13.851 184 2H2 G 17 H22 G 17 16.045 -25.053 -12.236 185 1H5* A 18 H5' A 18 16.156 -21.599 -6.100 186 2H5* A 18 H5'' A 18 16.960 -20.135 -5.500 187 H4* A 18 H4' A 18 18.105 -20.958 -7.484 188 H3* A 18 H3' A 18 16.508 -18.386 -7.965 189 H2* A 18 H2' A 18 17.390 -18.418 -10.203 190 2HO* A 18 2HO' A 18 19.157 -20.523 -9.478 191 H1* A 18 H1' A 18 17.309 -21.208 -10.537 192 H8 A 18 H8 A 18 14.161 -19.531 -9.049 193 1H6 A 18 H61 A 18 12.283 -19.008 -14.934 194 2H6 A 18 H62 A 18 11.818 -18.821 -13.258 195 H2 A 18 H2 A 18 16.477 -20.548 -14.952 196 1H5* C 19 H5' C 19 20.940 -17.635 -9.357 197 2H5* C 19 H5'' C 19 20.988 -15.862 -9.336 198 H4* C 19 H4' C 19 21.341 -17.157 -11.597 199 H3* C 19 H3' C 19 19.514 -14.717 -11.283 200 H2* C 19 H2' C 19 19.083 -14.901 -13.645 201 2HO* C 19 2HO' C 19 21.398 -16.565 -13.621 202 H1* C 19 H1' C 19 19.049 -17.705 -13.746 203 1H4 C 19 H41 C 19 12.947 -15.843 -13.743 204 2H4 C 19 H42 C 19 12.974 -15.620 -12.008 205 H5 C 19 H5 C 19 15.072 -15.683 -10.713 206 H6 C 19 H6 C 19 17.456 -16.189 -10.821 207 1H5* C 20 H5' C 20 21.918 -14.017 -14.580 208 2H5* C 20 H5'' C 20 22.891 -12.546 -14.388 209 H4* C 20 H4' C 20 21.957 -12.320 -16.530 210 H3* C 20 H3' C 20 20.156 -10.829 -14.551 211 H2* C 20 H2' C 20 18.774 -10.233 -16.431 212 2HO* C 20 2HO' C 20 20.274 -11.317 -18.446 213 H1* C 20 H1' C 20 18.988 -12.680 -17.783 214 1H4 C 20 H41 C 20 13.417 -12.934 -14.678 215 2H4 C 20 H42 C 20 14.222 -13.180 -13.143 216 H5 C 20 H5 C 20 16.665 -12.953 -12.894 217 H6 C 20 H6 C 20 18.764 -12.663 -14.104 218 1H5* G 21 H5' G 21 20.968 -8.945 -18.089 219 2H5* G 21 H5'' G 21 21.696 -7.332 -17.967 220 H4* G 21 H4' G 21 20.053 -7.218 -19.697 221 H3* G 21 H3' G 21 19.005 -5.981 -17.105 222 H2* G 21 H2' G 21 16.982 -5.462 -18.321 223 2HO* G 21 2HO' G 21 17.333 -4.772 -20.292 224 H1* G 21 H1' G 21 16.840 -7.830 -19.763 225 H8 G 21 H8 G 21 17.856 -8.127 -16.049 226 H1 G 21 H1 G 21 11.536 -8.303 -17.165 227 1H2 G 21 H21 G 21 11.128 -7.811 -19.293 228 2H2 G 21 H22 G 21 12.417 -7.580 -20.452 229 1H5* G 22 H5' G 22 20.263 -1.927 -19.676 230 2H5* G 22 H5'' G 22 20.397 -0.825 -18.289 231 H4* G 22 H4' G 22 18.621 -0.334 -20.144 232 H3* G 22 H3' G 22 18.102 -0.217 -17.143 233 H2* G 22 H2' G 22 15.792 0.308 -17.613 234 2HO* G 22 2HO' G 22 16.518 0.552 -20.363 235 H1* G 22 H1' G 22 15.421 -1.494 -19.666 236 H8 G 22 H8 G 22 17.601 -3.433 -17.386 237 H1 G 22 H1 G 22 11.682 -2.709 -15.006 238 1H2 G 22 H21 G 22 10.553 -1.228 -16.215 239 2H2 G 22 H22 G 22 11.328 -0.273 -17.460 240 1H5* C 23 H5' C 23 16.702 3.546 -17.665 241 2H5* C 23 H5'' C 23 17.602 4.657 -16.613 242 H4* C 23 H4' C 23 15.308 4.627 -15.882 243 H3* C 23 H3' C 23 17.160 3.044 -14.025 244 H2* C 23 H2' C 23 15.227 2.626 -12.636 245 2HO* C 23 2HO' C 23 13.259 3.897 -13.894 246 H1* C 23 H1' C 23 13.460 2.096 -14.697 247 1H4 C 23 H41 C 23 15.804 -3.528 -12.783 248 2H4 C 23 H42 C 23 17.119 -3.392 -13.929 249 H5 C 23 H5 C 23 17.602 -1.291 -15.125 250 H6 C 23 H6 C 23 16.775 0.954 -15.609 251 1H5* U 24 H5' U 24 15.767 6.376 -10.956 252 2H5* U 24 H5'' U 24 17.246 6.389 -9.974 253 H4* U 24 H4' U 24 14.927 5.652 -8.921 254 H3* U 24 H3' U 24 17.620 4.273 -8.441 255 H2* U 24 H2' U 24 16.462 2.726 -7.017 256 2HO* U 24 2HO' U 24 14.202 4.469 -7.126 257 H1* U 24 H1' U 24 14.083 2.597 -8.519 258 H3 U 24 H3 U 24 16.141 -1.527 -8.286 259 H5 U 24 H5 U 24 17.857 0.451 -11.594 260 H6 U 24 H6 U 24 16.726 2.480 -10.872 261 1H5* U 25 H5' U 25 15.559 5.682 -4.462 262 2H5* U 25 H5'' U 25 16.833 5.705 -3.226 263 H4* U 25 H4' U 25 14.692 4.181 -2.921 264 H3* U 25 H3' U 25 17.574 3.349 -2.309 265 H2* U 25 H2' U 25 16.717 1.197 -1.650 266 2HO* U 25 2HO' U 25 14.450 2.730 -1.215 267 H1* U 25 H1' U 25 14.787 0.969 -3.656 268 H3 U 25 H3 U 25 18.037 -2.196 -4.404 269 H5 U 25 H5 U 25 19.559 1.377 -6.055 270 H6 U 25 H6 U 25 17.693 2.554 -5.036 271 1H5* C 26 H5' C 26 15.580 1.478 0.523 272 2H5* C 26 H5'' C 26 15.801 2.368 2.044 273 H4* C 26 H4' C 26 16.031 0.049 2.563 274 H3* C 26 H3' C 26 18.747 1.444 2.400 275 H2* C 26 H2' C 26 19.786 -0.658 2.893 276 2HO* C 26 2HO' C 26 18.759 -1.501 4.579 277 H1* C 26 H1' C 26 17.945 -2.302 1.521 278 1H4 C 26 H41 C 26 23.195 -2.017 -2.073 279 2H4 C 26 H42 C 26 22.649 -0.521 -2.799 280 H5 C 26 H5 C 26 20.520 0.545 -2.163 281 H6 C 26 H6 C 26 18.674 0.491 -0.570 282 1H5* C 27 H5' C 27 21.123 2.211 6.246 283 2H5* C 27 H5'' C 27 21.515 1.809 4.562 284 H4* C 27 H4' C 27 21.821 -0.034 6.960 285 H3* C 27 H3' C 27 23.839 1.501 5.263 286 H2* C 27 H2' C 27 25.374 -0.317 5.585 287 2HO* C 27 2HO' C 27 23.563 -0.960 7.657 288 H1* C 27 H1' C 27 23.524 -2.310 5.116 289 1H4 C 27 H41 C 27 26.400 -0.719 -0.405 290 2H4 C 27 H42 C 27 24.866 -0.068 -0.939 291 H5 C 27 H5 C 27 22.996 0.322 0.617 292 H6 C 27 H6 C 27 22.197 -0.048 2.892 293 H3T C 27 H3T C 27 23.497 0.843 8.023 294 1HN1 NCO 28 1HN1 NCO 28 12.891 -7.314 -10.855 295 2HN1 NCO 28 2HN1 NCO 28 14.053 -7.654 -9.769 296 3HN1 NCO 28 3HN1 NCO 28 14.406 -7.627 -11.357 297 1HN2 NCO 28 1HN2 NCO 28 12.465 -12.011 -11.868 298 2HN2 NCO 28 2HN2 NCO 28 13.628 -12.350 -10.784 299 3HN2 NCO 28 3HN2 NCO 28 12.113 -12.038 -10.280 300 1HN3 NCO 28 1HN3 NCO 28 11.415 -8.588 -9.583 301 2HN3 NCO 28 2HN3 NCO 28 10.880 -10.080 -9.951 302 3HN3 NCO 28 3HN3 NCO 28 11.877 -9.863 -8.685 303 1HN4 NCO 28 1HN4 NCO 28 12.333 -10.089 -13.175 304 2HN4 NCO 28 2HN4 NCO 28 11.143 -9.557 -12.204 305 3HN4 NCO 28 3HN4 NCO 28 12.265 -8.519 -12.757 306 1HN5 NCO 28 1HN5 NCO 28 14.641 -9.803 -12.954 307 2HN5 NCO 28 2HN5 NCO 28 15.638 -9.583 -11.689 308 3HN5 NCO 28 3HN5 NCO 28 15.105 -11.076 -12.053 309 1HN6 NCO 28 1HN6 NCO 28 14.256 -11.147 -8.882 310 2HN6 NCO 28 2HN6 NCO 28 15.378 -10.106 -9.434 311 3HN6 NCO 28 3HN6 NCO 28 14.185 -9.577 -8.462 Start of MODEL 8 1 1H5* G 1 H5' G 1 32.764 -5.824 -1.660 2 2H5* G 1 H5'' G 1 32.386 -6.369 -3.307 3 H4* G 1 H4' G 1 30.803 -7.175 -1.500 4 H3* G 1 H3' G 1 29.788 -5.626 -3.922 5 H2* G 1 H2' G 1 27.600 -5.603 -3.009 6 2HO* G 1 2HO' G 1 28.378 -7.621 -1.158 7 H1* G 1 H1' G 1 28.268 -5.549 -0.274 8 H8 G 1 H8 G 1 28.540 -3.525 -3.563 9 H1 G 1 H1 G 1 26.802 -0.158 1.621 10 1H2 G 1 H21 G 1 27.022 -1.413 3.445 11 2H2 G 1 H22 G 1 27.392 -3.120 3.349 12 H5T G 1 H5T G 1 32.885 -4.157 -3.250 13 1H5* G 2 H5' G 2 28.367 -10.379 -2.991 14 2H5* G 2 H5'' G 2 27.077 -10.761 -4.150 15 H4* G 2 H4' G 2 26.696 -11.167 -1.575 16 H3* G 2 H3' G 2 24.699 -9.956 -3.533 17 H2* G 2 H2' G 2 23.188 -9.505 -1.719 18 2HO* G 2 2HO' G 2 23.776 -10.410 0.426 19 H1* G 2 H1' G 2 25.039 -8.626 0.127 20 H8 G 2 H8 G 2 26.175 -7.376 -3.240 21 H1 G 2 H1 G 2 21.348 -3.952 -0.760 22 1H2 G 2 H21 G 2 20.537 -4.968 1.035 23 2H2 G 2 H22 G 2 21.106 -6.542 1.548 24 1H5* A 3 H5' A 3 22.132 -11.338 -0.496 25 2H5* A 3 H5'' A 3 21.330 -12.711 -1.287 26 H4* A 3 H4' A 3 19.575 -11.364 -0.441 27 H3* A 3 H3' A 3 19.988 -10.791 -3.420 28 H2* A 3 H2' A 3 18.203 -9.190 -3.274 29 2HO* A 3 2HO' A 3 17.606 -10.248 -0.689 30 H1* A 3 H1' A 3 18.809 -8.223 -0.708 31 H8 A 3 H8 A 3 21.643 -8.740 -3.311 32 1H6 A 3 H61 A 3 20.812 -2.735 -4.605 33 2H6 A 3 H62 A 3 21.812 -4.140 -4.897 34 H2 A 3 H2 A 3 17.683 -3.953 -1.663 35 1H5* A 4 H5' A 4 15.792 -11.453 -1.993 36 2H5* A 4 H5'' A 4 14.718 -11.903 -3.333 37 H4* A 4 H4' A 4 14.295 -9.689 -1.931 38 H3* A 4 H3' A 4 14.035 -9.977 -4.966 39 H2* A 4 H2' A 4 13.472 -7.649 -5.062 40 2HO* A 4 2HO' A 4 13.262 -6.828 -2.578 41 H1* A 4 H1' A 4 15.166 -6.787 -2.977 42 H8 A 4 H8 A 4 17.079 -9.045 -5.330 43 1H6 A 4 H61 A 4 17.896 -4.023 -8.884 44 2H6 A 4 H62 A 4 18.344 -5.698 -8.643 45 H2 A 4 H2 A 4 14.897 -3.019 -5.732 46 1H5* G 5 H5' G 5 9.154 -7.876 -5.367 47 2H5* G 5 H5'' G 5 10.571 -7.830 -6.437 48 H4* G 5 H4' G 5 10.072 -5.760 -4.284 49 H3* G 5 H3' G 5 8.375 -5.866 -6.484 50 H2* G 5 H2' G 5 10.157 -5.729 -8.155 51 2HO* G 5 2HO' G 5 10.319 -3.103 -8.140 52 H1* G 5 H1' G 5 11.507 -3.617 -6.416 53 H8 G 5 H8 G 5 13.038 -6.971 -7.432 54 H1 G 5 H1 G 5 15.035 -1.979 -10.940 55 1H2 G 5 H21 G 5 13.791 -0.194 -10.491 56 2H2 G 5 H22 G 5 12.555 -0.214 -9.251 57 1H5* U 6 H5' U 6 5.751 -2.489 -4.070 58 2H5* U 6 H5'' U 6 4.601 -3.451 -5.022 59 H4* U 6 H4' U 6 5.069 -1.632 -6.424 60 H3* U 6 H3' U 6 6.719 -4.045 -7.185 61 H2* U 6 H2' U 6 8.405 -2.732 -8.160 62 2HO* U 6 2HO' U 6 7.591 -0.991 -9.622 63 H1* U 6 H1' U 6 7.086 -0.113 -7.517 64 H3 U 6 H3 U 6 11.439 1.164 -8.169 65 H5 U 6 H5 U 6 11.548 -1.316 -4.757 66 H6 U 6 H6 U 6 9.214 -1.860 -5.171 67 1H5* C 7 H5' C 7 3.905 -1.526 -11.862 68 2H5* C 7 H5'' C 7 3.564 -3.250 -11.616 69 H4* C 7 H4' C 7 4.289 -2.498 -13.970 70 H3* C 7 H3' C 7 5.685 -4.782 -12.486 71 H2* C 7 H2' C 7 7.114 -5.038 -14.396 72 2HO* C 7 2HO' C 7 5.362 -4.985 -15.909 73 H1* C 7 H1' C 7 7.298 -2.303 -15.061 74 1H4 C 7 H41 C 7 12.770 -3.795 -12.138 75 2H4 C 7 H42 C 7 12.007 -3.704 -10.564 76 H5 C 7 H5 C 7 9.563 -3.465 -10.300 77 H6 C 7 H6 C 7 7.464 -3.115 -11.494 78 1H5* C 8 H5' C 8 3.318 -5.968 -16.610 79 2H5* C 8 H5'' C 8 3.047 -7.713 -16.429 80 H4* C 8 H4' C 8 3.928 -6.974 -18.687 81 H3* C 8 H3' C 8 5.466 -9.021 -17.014 82 H2* C 8 H2' C 8 7.084 -9.142 -18.805 83 2HO* C 8 2HO' C 8 6.450 -7.710 -20.749 84 H1* C 8 H1' C 8 7.228 -6.432 -19.308 85 1H4 C 8 H41 C 8 11.827 -7.744 -15.071 86 2H4 C 8 H42 C 8 10.707 -7.504 -13.748 87 H5 C 8 H5 C 8 8.282 -7.262 -14.107 88 H6 C 8 H6 C 8 6.542 -7.012 -15.799 89 1H5* G 9 H5' G 9 4.905 -10.435 -21.080 90 2H5* G 9 H5'' G 9 5.032 -12.201 -21.201 91 H4* G 9 H4' G 9 6.819 -10.742 -22.392 92 H3* G 9 H3' G 9 7.541 -13.086 -20.554 93 H2* G 9 H2' G 9 9.851 -12.637 -21.096 94 2HO* G 9 2HO' G 9 9.422 -10.582 -22.880 95 H1* G 9 H1' G 9 9.668 -9.865 -20.998 96 H8 G 9 H8 G 9 7.640 -11.302 -18.145 97 H1 G 9 H1 G 9 13.961 -11.237 -17.021 98 1H2 G 9 H21 G 9 15.061 -10.812 -18.906 99 2H2 G 9 H22 G 9 14.229 -10.382 -20.383 100 1H5* G 10 H5' G 10 9.815 -13.204 -23.724 101 2H5* G 10 H5'' G 10 9.723 -14.663 -24.730 102 H4* G 10 H4' G 10 12.040 -14.218 -24.391 103 H3* G 10 H3' G 10 11.084 -16.453 -22.524 104 H2* G 10 H2' G 10 13.381 -16.618 -21.770 105 2HO* G 10 2HO' G 10 15.011 -16.027 -23.030 106 H1* G 10 H1' G 10 13.848 -13.904 -21.607 107 H8 G 10 H8 G 10 10.297 -14.838 -20.504 108 H1 G 10 H1 G 10 14.753 -15.405 -15.920 109 1H2 G 10 H21 G 10 16.781 -15.237 -16.813 110 2H2 G 10 H22 G 10 17.018 -14.819 -18.495 111 1H5* U 11 H5' U 11 14.319 -18.195 -24.877 112 2H5* U 11 H5'' U 11 13.875 -19.832 -25.397 113 H4* U 11 H4' U 11 16.002 -19.841 -24.175 114 H3* U 11 H3' U 11 13.669 -21.174 -22.691 115 H2* U 11 H2' U 11 15.293 -21.782 -21.027 116 2HO* U 11 2HO' U 11 16.950 -21.609 -23.162 117 H1* U 11 H1' U 11 16.619 -19.352 -20.988 118 H3 U 11 H3 U 11 14.377 -19.450 -17.010 119 H5 U 11 H5 U 11 11.445 -18.415 -19.862 120 H6 U 11 H6 U 11 13.074 -18.887 -21.602 121 1H5* C 12 H5' C 12 17.265 -23.207 -21.598 122 2H5* C 12 H5'' C 12 17.065 -24.765 -22.419 123 H4* C 12 H4' C 12 17.797 -25.250 -20.201 124 H3* C 12 H3' C 12 14.760 -25.645 -20.366 125 H2* C 12 H2' C 12 14.972 -26.523 -18.105 126 2HO* C 12 2HO' C 12 17.794 -26.332 -18.358 127 H1* C 12 H1' C 12 16.802 -24.598 -17.268 128 1H4 C 12 H41 C 12 10.966 -22.927 -15.265 129 2H4 C 12 H42 C 12 10.878 -21.771 -16.575 130 H5 C 12 H5 C 12 12.683 -21.537 -18.235 131 H6 C 12 H6 C 12 14.787 -22.476 -19.020 132 1H5* U 13 H5' U 13 15.281 -28.848 -18.172 133 2H5* U 13 H5'' U 13 14.160 -30.049 -18.844 134 H4* U 13 H4' U 13 13.618 -29.091 -16.525 135 H3* U 13 H3' U 13 11.585 -29.134 -18.799 136 H2* U 13 H2' U 13 10.019 -28.037 -17.370 137 2HO* U 13 2HO' U 13 11.219 -28.092 -14.970 138 H1* U 13 H1' U 13 11.876 -26.530 -15.840 139 H3 U 13 H3 U 13 8.520 -24.124 -18.174 140 H5 U 13 H5 U 13 12.151 -23.854 -20.301 141 H6 U 13 H6 U 13 13.049 -25.576 -18.842 142 1H5* U 14 H5' U 14 8.100 -31.229 -16.188 143 2H5* U 14 H5'' U 14 9.668 -30.447 -15.893 144 H4* U 14 H4' U 14 9.202 -33.424 -15.718 145 H3* U 14 H3' U 14 8.138 -31.695 -13.809 146 H2* U 14 H2' U 14 10.271 -30.792 -13.081 147 2HO* U 14 2HO' U 14 10.327 -33.260 -11.680 148 H1* U 14 H1' U 14 11.446 -33.593 -13.405 149 H3 U 14 H3 U 14 15.590 -32.176 -12.284 150 H5 U 14 H5 U 14 13.971 -28.806 -14.235 151 H6 U 14 H6 U 14 11.918 -30.066 -14.554 152 1H5* C 15 H5' C 15 5.659 -31.827 -10.965 153 2H5* C 15 H5'' C 15 6.142 -31.481 -12.637 154 H4* C 15 H4' C 15 7.767 -30.267 -10.435 155 H3* C 15 H3' C 15 5.060 -29.728 -10.173 156 H2* C 15 H2' C 15 4.840 -28.984 -12.537 157 2HO* C 15 2HO' C 15 4.218 -27.351 -10.860 158 H1* C 15 H1' C 15 7.395 -27.399 -12.047 159 1H4 C 15 H41 C 15 5.570 -26.344 -18.157 160 2H4 C 15 H42 C 15 6.683 -27.618 -18.604 161 H5 C 15 H5 C 15 7.680 -29.121 -16.928 162 H6 C 15 H6 C 15 7.955 -29.566 -14.568 163 1H5* G 16 H5' G 16 6.375 -24.291 -8.321 164 2H5* G 16 H5'' G 16 7.418 -24.121 -9.747 165 H4* G 16 H4' G 16 7.785 -25.921 -7.343 166 H3* G 16 H3' G 16 9.568 -23.844 -8.733 167 H2* G 16 H2' G 16 11.413 -25.057 -7.737 168 2HO* G 16 2HO' G 16 9.563 -25.573 -5.876 169 H1* G 16 H1' G 16 10.363 -27.583 -8.264 170 H8 G 16 H8 G 16 13.046 -26.636 -9.052 171 H1 G 16 H1 G 16 10.181 -25.427 -14.657 172 1H2 G 16 H21 G 16 7.991 -25.309 -14.383 173 2H2 G 16 H22 G 16 7.242 -25.471 -12.810 174 1H5* G 17 H5' G 17 10.743 -24.030 -5.444 175 2H5* G 17 H5'' G 17 11.426 -22.965 -4.201 176 H4* G 17 H4' G 17 13.352 -23.719 -5.258 177 H3* G 17 H3' G 17 12.543 -21.201 -6.808 178 H2* G 17 H2' G 17 14.514 -21.586 -8.164 179 2HO* G 17 2HO' G 17 15.281 -23.779 -6.552 180 H1* G 17 H1' G 17 14.182 -24.329 -8.405 181 H8 G 17 H8 G 17 11.118 -21.952 -8.472 182 H1 G 17 H1 G 17 13.438 -23.582 -14.209 183 1H2 G 17 H21 G 17 15.224 -24.877 -13.980 184 2H2 G 17 H22 G 17 15.963 -25.152 -12.416 185 1H5* A 18 H5' A 18 16.679 -21.670 -6.572 186 2H5* A 18 H5'' A 18 17.438 -20.124 -6.154 187 H4* A 18 H4' A 18 18.394 -21.114 -8.206 188 H3* A 18 H3' A 18 16.823 -18.514 -8.625 189 H2* A 18 H2' A 18 17.575 -18.637 -10.914 190 2HO* A 18 2HO' A 18 19.176 -20.671 -11.105 191 H1* A 18 H1' A 18 17.376 -21.431 -11.137 192 H8 A 18 H8 A 18 14.322 -19.723 -9.549 193 1H6 A 18 H61 A 18 12.273 -19.028 -15.362 194 2H6 A 18 H62 A 18 11.825 -18.980 -13.672 195 H2 A 18 H2 A 18 16.444 -20.621 -15.548 196 1H5* C 19 H5' C 19 21.041 -17.957 -10.151 197 2H5* C 19 H5'' C 19 21.350 -16.210 -10.133 198 H4* C 19 H4' C 19 21.431 -17.454 -12.405 199 H3* C 19 H3' C 19 19.784 -14.903 -11.986 200 H2* C 19 H2' C 19 19.210 -15.044 -14.319 201 2HO* C 19 2HO' C 19 20.545 -15.934 -15.750 202 H1* C 19 H1' C 19 19.008 -17.845 -14.433 203 1H4 C 19 H41 C 19 13.042 -15.605 -14.143 204 2H4 C 19 H42 C 19 13.143 -15.466 -12.402 205 H5 C 19 H5 C 19 15.265 -15.756 -11.183 206 H6 C 19 H6 C 19 17.609 -16.393 -11.403 207 1H5* C 20 H5' C 20 21.704 -14.333 -15.372 208 2H5* C 20 H5'' C 20 22.953 -13.073 -15.298 209 H4* C 20 H4' C 20 21.861 -12.487 -17.259 210 H3* C 20 H3' C 20 20.306 -11.046 -15.044 211 H2* C 20 H2' C 20 18.880 -10.188 -16.787 212 2HO* C 20 2HO' C 20 20.884 -11.131 -18.599 213 H1* C 20 H1' C 20 18.868 -12.524 -18.358 214 1H4 C 20 H41 C 20 13.363 -12.743 -15.157 215 2H4 C 20 H42 C 20 14.183 -13.044 -13.641 216 H5 C 20 H5 C 20 16.639 -13.077 -13.455 217 H6 C 20 H6 C 20 18.727 -12.813 -14.689 218 1H5* G 21 H5' G 21 21.009 -9.005 -18.417 219 2H5* G 21 H5'' G 21 21.925 -7.490 -18.291 220 H4* G 21 H4' G 21 20.232 -6.993 -19.838 221 H3* G 21 H3' G 21 19.289 -6.080 -17.078 222 H2* G 21 H2' G 21 17.266 -5.324 -18.157 223 2HO* G 21 2HO' G 21 18.993 -5.231 -20.336 224 H1* G 21 H1' G 21 17.021 -7.443 -19.948 225 H8 G 21 H8 G 21 17.983 -8.097 -16.240 226 H1 G 21 H1 G 21 11.720 -8.509 -17.587 227 1H2 G 21 H21 G 21 11.364 -7.967 -19.712 228 2H2 G 21 H22 G 21 12.641 -7.345 -20.733 229 1H5* G 22 H5' G 22 20.323 -2.221 -19.567 230 2H5* G 22 H5'' G 22 20.701 -0.927 -18.412 231 H4* G 22 H4' G 22 18.706 -0.533 -19.954 232 H3* G 22 H3' G 22 18.477 -0.322 -16.921 233 H2* G 22 H2' G 22 16.138 0.206 -17.193 234 2HO* G 22 2HO' G 22 16.192 0.199 -19.980 235 H1* G 22 H1' G 22 15.581 -1.656 -19.156 236 H8 G 22 H8 G 22 17.946 -3.486 -16.936 237 H1 G 22 H1 G 22 12.160 -2.720 -14.259 238 1H2 G 22 H21 G 22 10.932 -1.336 -15.486 239 2H2 G 22 H22 G 22 11.616 -0.442 -16.825 240 1H5* C 23 H5' C 23 17.730 4.208 -16.942 241 2H5* C 23 H5'' C 23 18.775 4.422 -15.523 242 H4* C 23 H4' C 23 16.221 4.777 -15.244 243 H3* C 23 H3' C 23 17.863 2.987 -13.376 244 H2* C 23 H2' C 23 15.817 2.657 -12.116 245 2HO* C 23 2HO' C 23 13.901 3.922 -13.045 246 H1* C 23 H1' C 23 14.187 2.258 -14.307 247 1H4 C 23 H41 C 23 16.344 -3.430 -12.328 248 2H4 C 23 H42 C 23 17.598 -3.374 -13.546 249 H5 C 23 H5 C 23 18.075 -1.339 -14.848 250 H6 C 23 H6 C 23 17.333 0.939 -15.318 251 1H5* U 24 H5' U 24 15.733 4.991 -11.111 252 2H5* U 24 H5'' U 24 16.430 6.173 -9.986 253 H4* U 24 H4' U 24 14.941 4.900 -8.675 254 H3* U 24 H3' U 24 17.770 3.781 -8.318 255 H2* U 24 H2' U 24 16.828 2.179 -6.800 256 2HO* U 24 2HO' U 24 14.277 3.305 -6.754 257 H1* U 24 H1' U 24 14.374 1.836 -8.157 258 H3 U 24 H3 U 24 16.443 -2.245 -8.153 259 H5 U 24 H5 U 24 18.454 -0.030 -11.128 260 H6 U 24 H6 U 24 17.216 1.931 -10.400 261 1H5* U 25 H5' U 25 15.275 5.015 -4.509 262 2H5* U 25 H5'' U 25 16.422 5.202 -3.166 263 H4* U 25 H4' U 25 14.372 3.593 -2.898 264 H3* U 25 H3' U 25 17.244 2.915 -2.099 265 H2* U 25 H2' U 25 16.457 0.740 -1.401 266 2HO* U 25 2HO' U 25 14.200 2.142 -0.980 267 H1* U 25 H1' U 25 14.789 0.276 -3.553 268 H3 U 25 H3 U 25 18.440 -2.431 -4.150 269 H5 U 25 H5 U 25 19.693 1.375 -5.472 270 H6 U 25 H6 U 25 17.610 2.279 -4.602 271 1H5* C 26 H5' C 26 15.399 1.258 0.744 272 2H5* C 26 H5'' C 26 15.381 2.239 2.224 273 H4* C 26 H4' C 26 15.850 0.123 3.070 274 H3* C 26 H3' C 26 18.558 1.422 2.469 275 H2* C 26 H2' C 26 19.588 -0.620 3.243 276 2HO* C 26 2HO' C 26 17.408 -2.053 3.966 277 H1* C 26 H1' C 26 17.790 -2.368 2.042 278 1H4 C 26 H41 C 26 22.626 -1.905 -2.071 279 2H4 C 26 H42 C 26 22.056 -0.352 -2.643 280 H5 C 26 H5 C 26 20.020 0.708 -1.748 281 H6 C 26 H6 C 26 18.316 0.574 -0.007 282 1H5* C 27 H5' C 27 19.206 0.539 6.887 283 2H5* C 27 H5'' C 27 20.249 1.901 7.348 284 H4* C 27 H4' C 27 21.170 -0.584 7.392 285 H3* C 27 H3' C 27 22.692 1.801 6.230 286 H2* C 27 H2' C 27 24.527 0.299 5.900 287 2HO* C 27 2HO' C 27 24.391 -1.857 6.813 288 H1* C 27 H1' C 27 22.934 -1.850 5.057 289 1H4 C 27 H41 C 27 25.413 1.058 -0.076 290 2H4 C 27 H42 C 27 23.888 1.882 -0.315 291 H5 C 27 H5 C 27 22.069 1.792 1.341 292 H6 C 27 H6 C 27 21.378 0.855 3.486 293 H3T C 27 H3T C 27 23.822 1.391 8.271 294 1HN1 NCO 28 1HN1 NCO 28 10.645 -10.170 -8.765 295 2HN1 NCO 28 2HN1 NCO 28 11.263 -11.672 -8.660 296 3HN1 NCO 28 3HN1 NCO 28 12.123 -10.399 -8.125 297 1HN2 NCO 28 1HN2 NCO 28 12.496 -10.606 -13.197 298 2HN2 NCO 28 2HN2 NCO 28 13.356 -9.333 -12.663 299 3HN2 NCO 28 3HN2 NCO 28 13.974 -10.833 -12.557 300 1HN3 NCO 28 1HN3 NCO 28 13.942 -11.561 -9.023 301 2HN3 NCO 28 2HN3 NCO 28 14.439 -11.890 -10.536 302 3HN3 NCO 28 3HN3 NCO 28 14.732 -10.428 -9.883 303 1HN4 NCO 28 1HN4 NCO 28 10.854 -12.587 -10.770 304 2HN4 NCO 28 2HN4 NCO 28 11.784 -12.532 -12.104 305 3HN4 NCO 28 3HN4 NCO 28 12.413 -13.043 -10.694 306 1HN5 NCO 28 1HN5 NCO 28 10.676 -9.447 -12.300 307 2HN5 NCO 28 2HN5 NCO 28 9.887 -10.576 -11.435 308 3HN5 NCO 28 3HN5 NCO 28 10.181 -9.114 -10.788 309 1HN6 NCO 28 1HN6 NCO 28 12.835 -8.473 -9.220 310 2HN6 NCO 28 2HN6 NCO 28 13.766 -8.418 -10.553 311 3HN6 NCO 28 3HN6 NCO 28 12.207 -7.961 -10.630 Start of MODEL 9 1 1H5* G 1 H5' G 1 28.705 -3.720 -5.539 2 2H5* G 1 H5'' G 1 28.307 -5.165 -6.492 3 H4* G 1 H4' G 1 30.318 -5.515 -5.098 4 H3* G 1 H3' G 1 27.851 -7.110 -4.262 5 H2* G 1 H2' G 1 29.310 -8.197 -2.650 6 2HO* G 1 2HO' G 1 31.419 -8.372 -2.992 7 H1* G 1 H1' G 1 30.754 -5.860 -2.010 8 H8 G 1 H8 G 1 28.941 -8.110 -0.450 9 H1 G 1 H1 G 1 26.165 -2.534 1.052 10 1H2 G 1 H21 G 1 26.613 -1.000 -0.476 11 2H2 G 1 H22 G 1 27.771 -1.289 -1.760 12 H5T G 1 H5T G 1 26.761 -3.846 -4.820 13 1H5* G 2 H5' G 2 28.703 -10.250 -3.592 14 2H5* G 2 H5'' G 2 28.139 -11.305 -4.904 15 H4* G 2 H4' G 2 26.832 -12.071 -3.146 16 H3* G 2 H3' G 2 25.244 -9.790 -4.422 17 H2* G 2 H2' G 2 23.554 -10.130 -2.721 18 2HO* G 2 2HO' G 2 25.009 -12.518 -2.117 19 H1* G 2 H1' G 2 25.283 -10.432 -0.590 20 H8 G 2 H8 G 2 27.091 -7.864 -2.376 21 H1 G 2 H1 G 2 21.604 -5.474 -0.159 22 1H2 G 2 H21 G 2 20.286 -7.081 0.572 23 2H2 G 2 H22 G 2 20.690 -8.775 0.359 24 1H5* A 3 H5' A 3 22.983 -12.772 -3.721 25 2H5* A 3 H5'' A 3 21.667 -13.352 -4.763 26 H4* A 3 H4' A 3 20.850 -12.532 -2.573 27 H3* A 3 H3' A 3 19.995 -10.964 -5.058 28 H2* A 3 H2' A 3 18.723 -9.526 -3.604 29 2HO* A 3 2HO' A 3 19.185 -11.479 -1.568 30 H1* A 3 H1' A 3 20.558 -9.448 -1.505 31 H8 A 3 H8 A 3 22.654 -9.026 -4.555 32 1H6 A 3 H61 A 3 20.675 -3.172 -4.863 33 2H6 A 3 H62 A 3 21.912 -4.295 -5.380 34 H2 A 3 H2 A 3 18.189 -5.292 -1.820 35 1H5* A 4 H5' A 4 16.501 -12.280 -3.126 36 2H5* A 4 H5'' A 4 15.094 -12.608 -4.159 37 H4* A 4 H4' A 4 14.892 -10.642 -2.543 38 H3* A 4 H3' A 4 14.412 -10.312 -5.543 39 H2* A 4 H2' A 4 14.020 -7.982 -5.183 40 2HO* A 4 2HO' A 4 13.372 -8.920 -2.608 41 H1* A 4 H1' A 4 15.842 -7.614 -3.058 42 H8 A 4 H8 A 4 17.776 -9.363 -5.715 43 1H6 A 4 H61 A 4 18.152 -3.916 -8.662 44 2H6 A 4 H62 A 4 18.838 -5.520 -8.528 45 H2 A 4 H2 A 4 15.174 -3.506 -5.356 46 1H5* G 5 H5' G 5 9.526 -8.368 -5.342 47 2H5* G 5 H5'' G 5 10.701 -8.062 -6.636 48 H4* G 5 H4' G 5 10.266 -6.305 -4.195 49 H3* G 5 H3' G 5 8.558 -6.243 -6.361 50 H2* G 5 H2' G 5 10.319 -5.924 -8.035 51 2HO* G 5 2HO' G 5 10.193 -3.689 -8.548 52 H1* G 5 H1' G 5 11.604 -3.869 -6.191 53 H8 G 5 H8 G 5 13.273 -7.094 -7.353 54 H1 G 5 H1 G 5 14.903 -1.917 -10.783 55 1H2 G 5 H21 G 5 13.599 -0.204 -10.236 56 2H2 G 5 H22 G 5 12.373 -0.332 -8.994 57 1H5* U 6 H5' U 6 5.190 -3.818 -4.663 58 2H5* U 6 H5'' U 6 4.633 -5.092 -5.765 59 H4* U 6 H4' U 6 4.653 -3.157 -7.098 60 H3* U 6 H3' U 6 7.079 -4.880 -7.572 61 H2* U 6 H2' U 6 8.411 -3.061 -8.227 62 2HO* U 6 2HO' U 6 6.988 -1.556 -9.765 63 H1* U 6 H1' U 6 6.220 -1.027 -7.910 64 H3 U 6 H3 U 6 9.964 1.618 -7.871 65 H5 U 6 H5 U 6 10.297 -0.767 -4.407 66 H6 U 6 H6 U 6 8.374 -2.033 -5.186 67 1H5* C 7 H5' C 7 4.428 -3.561 -10.581 68 2H5* C 7 H5'' C 7 2.970 -4.347 -11.222 69 H4* C 7 H4' C 7 3.690 -3.550 -13.234 70 H3* C 7 H3' C 7 5.622 -5.888 -12.824 71 H2* C 7 H2' C 7 6.810 -5.153 -14.778 72 2HO* C 7 2HO' C 7 5.849 -3.805 -16.293 73 H1* C 7 H1' C 7 6.539 -2.397 -14.346 74 1H4 C 7 H41 C 7 12.388 -4.237 -12.519 75 2H4 C 7 H42 C 7 11.846 -4.212 -10.856 76 H5 C 7 H5 C 7 9.461 -4.044 -10.257 77 H6 C 7 H6 C 7 7.218 -3.656 -11.136 78 1H5* C 8 H5' C 8 3.998 -5.690 -17.217 79 2H5* C 8 H5'' C 8 3.550 -7.387 -17.485 80 H4* C 8 H4' C 8 4.816 -6.472 -19.390 81 H3* C 8 H3' C 8 6.185 -8.662 -17.754 82 H2* C 8 H2' C 8 8.075 -8.500 -19.246 83 2HO* C 8 2HO' C 8 6.190 -7.898 -20.992 84 H1* C 8 H1' C 8 8.141 -5.745 -19.430 85 1H4 C 8 H41 C 8 12.107 -7.056 -14.617 86 2H4 C 8 H42 C 8 10.778 -7.455 -13.552 87 H5 C 8 H5 C 8 8.428 -7.349 -14.285 88 H6 C 8 H6 C 8 6.960 -7.008 -16.204 89 1H5* G 9 H5' G 9 6.388 -9.462 -22.057 90 2H5* G 9 H5'' G 9 6.233 -11.201 -22.379 91 H4* G 9 H4' G 9 8.297 -10.072 -23.339 92 H3* G 9 H3' G 9 8.564 -12.468 -21.455 93 H2* G 9 H2' G 9 10.949 -12.313 -21.739 94 2HO* G 9 2HO' G 9 10.143 -11.081 -24.102 95 H1* G 9 H1' G 9 11.117 -9.528 -21.743 96 H8 G 9 H8 G 9 8.717 -10.731 -19.052 97 H1 G 9 H1 G 9 14.901 -11.035 -17.358 98 1H2 G 9 H21 G 9 16.191 -10.682 -19.131 99 2H2 G 9 H22 G 9 15.523 -10.357 -20.716 100 1H5* G 10 H5' G 10 11.384 -12.750 -24.341 101 2H5* G 10 H5'' G 10 11.132 -14.201 -25.332 102 H4* G 10 H4' G 10 13.437 -14.209 -24.819 103 H3* G 10 H3' G 10 11.960 -16.051 -22.867 104 H2* G 10 H2' G 10 14.122 -16.561 -21.909 105 2HO* G 10 2HO' G 10 15.739 -15.060 -23.478 106 H1* G 10 H1' G 10 15.090 -13.972 -21.926 107 H8 G 10 H8 G 10 11.345 -14.505 -21.072 108 H1 G 10 H1 G 10 15.342 -14.543 -16.049 109 1H2 G 10 H21 G 10 17.448 -14.487 -16.756 110 2H2 G 10 H22 G 10 17.850 -14.296 -18.449 111 1H5* U 11 H5' U 11 15.246 -18.939 -24.997 112 2H5* U 11 H5'' U 11 14.253 -20.408 -24.914 113 H4* U 11 H4' U 11 16.599 -20.496 -23.869 114 H3* U 11 H3' U 11 14.113 -21.306 -22.261 115 H2* U 11 H2' U 11 15.646 -21.933 -20.516 116 2HO* U 11 2HO' U 11 17.317 -22.203 -22.633 117 H1* U 11 H1' U 11 17.232 -19.688 -20.689 118 H3 U 11 H3 U 11 14.762 -19.062 -16.888 119 H5 U 11 H5 U 11 12.172 -17.988 -20.044 120 H6 U 11 H6 U 11 13.834 -18.839 -21.600 121 1H5* C 12 H5' C 12 17.391 -23.658 -20.876 122 2H5* C 12 H5'' C 12 17.005 -25.231 -21.601 123 H4* C 12 H4' C 12 17.636 -25.689 -19.359 124 H3* C 12 H3' C 12 14.573 -25.612 -19.521 125 H2* C 12 H2' C 12 14.636 -26.344 -17.201 126 2HO* C 12 2HO' C 12 16.842 -27.537 -18.027 127 H1* C 12 H1' C 12 16.766 -24.688 -16.482 128 1H4 C 12 H41 C 12 11.232 -21.982 -14.714 129 2H4 C 12 H42 C 12 11.501 -20.774 -15.950 130 H5 C 12 H5 C 12 13.216 -21.048 -17.696 131 H6 C 12 H6 C 12 15.109 -22.400 -18.424 132 1H5* U 13 H5' U 13 14.526 -28.675 -17.201 133 2H5* U 13 H5'' U 13 13.274 -29.756 -17.837 134 H4* U 13 H4' U 13 12.730 -28.655 -15.627 135 H3* U 13 H3' U 13 10.871 -28.174 -18.018 136 H2* U 13 H2' U 13 9.448 -26.990 -16.478 137 2HO* U 13 2HO' U 13 10.770 -27.359 -14.146 138 H1* U 13 H1' U 13 11.542 -25.796 -15.007 139 H3 U 13 H3 U 13 8.679 -22.910 -17.446 140 H5 U 13 H5 U 13 12.348 -23.282 -19.492 141 H6 U 13 H6 U 13 12.910 -25.113 -18.000 142 1H5* U 14 H5' U 14 7.584 -29.229 -14.539 143 2H5* U 14 H5'' U 14 9.247 -29.825 -14.637 144 H4* U 14 H4' U 14 6.724 -31.464 -14.614 145 H3* U 14 H3' U 14 8.037 -30.680 -12.325 146 H2* U 14 H2' U 14 10.180 -31.686 -12.828 147 2HO* U 14 2HO' U 14 8.441 -33.545 -11.591 148 H1* U 14 H1' U 14 8.809 -34.133 -13.991 149 H3 U 14 H3 U 14 12.728 -35.700 -15.608 150 H5 U 14 H5 U 14 13.236 -31.523 -15.894 151 H6 U 14 H6 U 14 11.021 -31.257 -14.934 152 1H5* C 15 H5' C 15 5.548 -30.773 -8.792 153 2H5* C 15 H5'' C 15 4.504 -30.108 -10.066 154 H4* C 15 H4' C 15 5.630 -28.457 -8.419 155 H3* C 15 H3' C 15 4.781 -27.888 -10.964 156 H2* C 15 H2' C 15 6.881 -28.712 -11.987 157 2HO* C 15 2HO' C 15 6.746 -25.908 -11.618 158 H1* C 15 H1' C 15 8.256 -26.969 -9.876 159 1H4 C 15 H41 C 15 13.544 -30.420 -10.998 160 2H4 C 15 H42 C 15 13.224 -30.200 -12.704 161 H5 C 15 H5 C 15 11.135 -29.207 -13.533 162 H6 C 15 H6 C 15 8.960 -28.342 -12.893 163 1H5* G 16 H5' G 16 6.362 -22.302 -9.305 164 2H5* G 16 H5'' G 16 7.060 -23.650 -10.225 165 H4* G 16 H4' G 16 6.712 -23.879 -7.240 166 H3* G 16 H3' G 16 8.924 -22.333 -8.672 167 H2* G 16 H2' G 16 10.523 -23.333 -7.171 168 2HO* G 16 2HO' G 16 9.204 -23.051 -5.284 169 H1* G 16 H1' G 16 9.483 -25.883 -7.187 170 H8 G 16 H8 G 16 12.176 -25.643 -8.030 171 H1 G 16 H1 G 16 9.756 -24.781 -13.908 172 1H2 G 16 H21 G 16 7.629 -24.171 -13.775 173 2H2 G 16 H22 G 16 6.760 -24.191 -12.256 174 1H5* G 17 H5' G 17 11.178 -21.821 -3.657 175 2H5* G 17 H5'' G 17 11.065 -20.240 -4.459 176 H4* G 17 H4' G 17 13.248 -21.946 -4.616 177 H3* G 17 H3' G 17 12.339 -19.826 -6.648 178 H2* G 17 H2' G 17 14.282 -20.534 -7.942 179 2HO* G 17 2HO' G 17 14.995 -22.295 -5.824 180 H1* G 17 H1' G 17 13.818 -23.246 -7.590 181 H8 G 17 H8 G 17 10.832 -20.811 -8.065 182 H1 G 17 H1 G 17 13.091 -23.426 -13.455 183 1H2 G 17 H21 G 17 14.835 -24.721 -13.015 184 2H2 G 17 H22 G 17 15.550 -24.792 -11.418 185 1H5* A 18 H5' A 18 16.215 -19.991 -6.025 186 2H5* A 18 H5'' A 18 17.204 -18.518 -5.996 187 H4* A 18 H4' A 18 17.948 -20.246 -7.661 188 H3* A 18 H3' A 18 17.081 -17.506 -8.735 189 H2* A 18 H2' A 18 17.801 -18.312 -10.892 190 2HO* A 18 2HO' A 18 19.522 -19.692 -9.334 191 H1* A 18 H1' A 18 16.902 -20.953 -10.531 192 H8 A 18 H8 A 18 14.065 -18.774 -9.449 193 1H6 A 18 H61 A 18 12.741 -18.023 -15.462 194 2H6 A 18 H62 A 18 12.217 -17.683 -13.827 195 H2 A 18 H2 A 18 16.793 -19.883 -15.162 196 1H5* C 19 H5' C 19 20.320 -18.160 -10.501 197 2H5* C 19 H5'' C 19 21.688 -17.083 -10.154 198 H4* C 19 H4' C 19 21.658 -17.028 -12.474 199 H3* C 19 H3' C 19 19.765 -14.786 -11.591 200 H2* C 19 H2' C 19 19.378 -14.352 -13.921 201 2HO* C 19 2HO' C 19 20.812 -15.072 -15.502 202 H1* C 19 H1' C 19 19.478 -17.034 -14.777 203 1H4 C 19 H41 C 19 13.281 -15.545 -14.618 204 2H4 C 19 H42 C 19 13.261 -15.563 -12.868 205 H5 C 19 H5 C 19 15.331 -15.725 -11.537 206 H6 C 19 H6 C 19 17.736 -16.117 -11.648 207 1H5* C 20 H5' C 20 22.835 -13.128 -14.459 208 2H5* C 20 H5'' C 20 23.388 -11.598 -13.749 209 H4* C 20 H4' C 20 22.808 -11.215 -16.065 210 H3* C 20 H3' C 20 20.732 -10.087 -14.115 211 H2* C 20 H2' C 20 19.552 -9.247 -16.037 212 2HO* C 20 2HO' C 20 20.801 -9.593 -18.164 213 H1* C 20 H1' C 20 20.029 -11.449 -17.704 214 1H4 C 20 H41 C 20 14.142 -12.310 -15.402 215 2H4 C 20 H42 C 20 14.766 -12.796 -13.841 216 H5 C 20 H5 C 20 17.150 -12.575 -13.257 217 H6 C 20 H6 C 20 19.366 -12.047 -14.130 218 1H5* G 21 H5' G 21 22.391 -6.786 -17.038 219 2H5* G 21 H5'' G 21 21.968 -5.254 -16.248 220 H4* G 21 H4' G 21 21.045 -5.791 -18.652 221 H3* G 21 H3' G 21 19.354 -4.637 -16.380 222 H2* G 21 H2' G 21 17.534 -4.574 -17.985 223 2HO* G 21 2HO' G 21 19.686 -4.597 -19.758 224 H1* G 21 H1' G 21 18.066 -7.031 -19.154 225 H8 G 21 H8 G 21 18.556 -7.251 -15.391 226 H1 G 21 H1 G 21 12.420 -7.641 -17.240 227 1H2 G 21 H21 G 21 12.237 -7.081 -19.383 228 2H2 G 21 H22 G 21 13.638 -6.740 -20.373 229 1H5* G 22 H5' G 22 19.334 -1.718 -19.382 230 2H5* G 22 H5'' G 22 19.994 -0.126 -18.953 231 H4* G 22 H4' G 22 17.860 0.358 -19.809 232 H3* G 22 H3' G 22 17.746 0.226 -16.766 233 H2* G 22 H2' G 22 15.370 0.625 -16.881 234 2HO* G 22 2HO' G 22 14.596 1.842 -18.436 235 H1* G 22 H1' G 22 14.827 -1.033 -19.022 236 H8 G 22 H8 G 22 17.517 -2.598 -16.808 237 H1 G 22 H1 G 22 11.509 -3.502 -14.713 238 1H2 G 22 H21 G 22 10.091 -2.312 -15.948 239 2H2 G 22 H22 G 22 10.651 -1.156 -17.134 240 1H5* C 23 H5' C 23 16.733 4.686 -16.329 241 2H5* C 23 H5'' C 23 17.746 4.826 -14.878 242 H4* C 23 H4' C 23 15.155 4.959 -14.629 243 H3* C 23 H3' C 23 16.941 3.193 -12.877 244 H2* C 23 H2' C 23 14.935 2.539 -11.690 245 2HO* C 23 2HO' C 23 12.904 3.671 -12.418 246 H1* C 23 H1' C 23 13.348 2.203 -13.927 247 1H4 C 23 H41 C 23 15.952 -3.453 -12.461 248 2H4 C 23 H42 C 23 17.179 -3.193 -13.680 249 H5 C 23 H5 C 23 17.521 -0.998 -14.750 250 H6 C 23 H6 C 23 16.609 1.252 -14.998 251 1H5* U 24 H5' U 24 14.574 4.690 -10.430 252 2H5* U 24 H5'' U 24 15.176 5.872 -9.249 253 H4* U 24 H4' U 24 13.873 4.353 -7.992 254 H3* U 24 H3' U 24 16.828 3.583 -7.756 255 H2* U 24 H2' U 24 16.137 1.791 -6.313 256 2HO* U 24 2HO' U 24 13.710 1.900 -5.735 257 H1* U 24 H1' U 24 13.731 1.194 -7.658 258 H3 U 24 H3 U 24 16.432 -2.501 -7.888 259 H5 U 24 H5 U 24 17.865 0.091 -10.893 260 H6 U 24 H6 U 24 16.381 1.805 -10.015 261 1H5* U 25 H5' U 25 14.239 3.855 -3.984 262 2H5* U 25 H5'' U 25 15.296 4.244 -2.611 263 H4* U 25 H4' U 25 13.713 2.142 -2.505 264 H3* U 25 H3' U 25 16.652 2.150 -1.638 265 H2* U 25 H2' U 25 16.339 -0.158 -1.005 266 2HO* U 25 2HO' U 25 13.809 0.719 -0.637 267 H1* U 25 H1' U 25 14.795 -0.883 -3.208 268 H3 U 25 H3 U 25 18.853 -2.980 -3.655 269 H5 U 25 H5 U 25 19.528 0.986 -4.935 270 H6 U 25 H6 U 25 17.295 1.536 -4.152 271 1H5* C 26 H5' C 26 14.715 -0.712 0.800 272 2H5* C 26 H5'' C 26 14.633 0.149 2.350 273 H4* C 26 H4' C 26 15.458 -1.899 3.047 274 H3* C 26 H3' C 26 17.971 -0.329 2.251 275 H2* C 26 H2' C 26 19.204 -2.271 2.971 276 2HO* C 26 2HO' C 26 18.249 -3.848 4.268 277 H1* C 26 H1' C 26 17.363 -4.153 1.967 278 1H4 C 26 H41 C 26 22.179 -3.909 -2.207 279 2H4 C 26 H42 C 26 21.709 -2.315 -2.758 280 H5 C 26 H5 C 26 19.950 -1.009 -1.627 281 H6 C 26 H6 C 26 18.195 -1.087 0.060 282 1H5* C 27 H5' C 27 20.733 1.842 4.972 283 2H5* C 27 H5'' C 27 19.525 2.914 4.234 284 H4* C 27 H4' C 27 21.343 3.257 2.831 285 H3* C 27 H3' C 27 19.904 0.837 1.648 286 H2* C 27 H2' C 27 21.562 0.809 -0.062 287 2HO* C 27 2HO' C 27 22.772 3.196 0.772 288 H1* C 27 H1' C 27 23.703 1.564 1.621 289 1H4 C 27 H41 C 27 24.520 -4.729 1.168 290 2H4 C 27 H42 C 27 22.950 -5.063 1.861 291 H5 C 27 H5 C 27 21.445 -3.271 2.618 292 H6 C 27 H6 C 27 21.109 -0.860 2.698 293 H3T C 27 H3T C 27 19.942 3.629 1.362 294 1HN1 NCO 28 1HN1 NCO 28 13.656 -10.584 -8.328 295 2HN1 NCO 28 2HN1 NCO 28 13.699 -12.013 -9.104 296 3HN1 NCO 28 3HN1 NCO 28 14.924 -10.958 -9.275 297 1HN2 NCO 28 1HN2 NCO 28 12.326 -9.844 -13.184 298 2HN2 NCO 28 2HN2 NCO 28 11.061 -9.467 -12.235 299 3HN2 NCO 28 3HN2 NCO 28 12.289 -8.415 -12.410 300 1HN3 NCO 28 1HN3 NCO 28 11.570 -12.200 -10.044 301 2HN3 NCO 28 2HN3 NCO 28 11.040 -11.672 -11.488 302 3HN3 NCO 28 3HN3 NCO 28 12.375 -12.596 -11.399 303 1HN4 NCO 28 1HN4 NCO 28 12.064 -8.941 -8.757 304 2HN4 NCO 28 2HN4 NCO 28 11.056 -8.740 -10.017 305 3HN4 NCO 28 3HN4 NCO 28 11.017 -10.120 -9.156 306 1HN5 NCO 28 1HN5 NCO 28 14.418 -8.229 -11.468 307 2HN5 NCO 28 2HN5 NCO 28 13.606 -7.829 -10.117 308 3HN5 NCO 28 3HN5 NCO 28 14.942 -8.752 -10.019 309 1HN6 NCO 28 1HN6 NCO 28 14.966 -10.308 -12.360 310 2HN6 NCO 28 2HN6 NCO 28 14.931 -11.685 -11.497 311 3HN6 NCO 28 3HN6 NCO 28 13.920 -11.488 -12.754 Start of MODEL 10 1 1H5* G 1 H5' G 1 30.637 -9.127 -6.536 2 2H5* G 1 H5'' G 1 29.929 -10.173 -7.784 3 H4* G 1 H4' G 1 28.496 -10.432 -5.937 4 H3* G 1 H3' G 1 27.337 -8.378 -7.873 5 H2* G 1 H2' G 1 25.572 -7.934 -6.340 6 2HO* G 1 2HO' G 1 26.202 -10.550 -5.510 7 H1* G 1 H1' G 1 26.978 -8.349 -3.944 8 H8 G 1 H8 G 1 26.835 -6.117 -7.103 9 H1 G 1 H1 G 1 27.799 -2.996 -1.576 10 1H2 G 1 H21 G 1 28.060 -4.451 0.081 11 2H2 G 1 H22 G 1 28.123 -6.176 -0.203 12 H5T G 1 H5T G 1 29.772 -7.355 -7.547 13 1H5* G 2 H5' G 2 25.066 -12.703 -6.945 14 2H5* G 2 H5'' G 2 23.451 -12.697 -7.684 15 H4* G 2 H4' G 2 23.692 -13.336 -5.165 16 H3* G 2 H3' G 2 21.617 -11.413 -6.306 17 H2* G 2 H2' G 2 20.841 -10.941 -4.079 18 2HO* G 2 2HO' G 2 21.748 -13.469 -3.688 19 H1* G 2 H1' G 2 23.303 -10.800 -2.836 20 H8 G 2 H8 G 2 23.735 -9.292 -6.252 21 H1 G 2 H1 G 2 20.845 -5.344 -2.099 22 1H2 G 2 H21 G 2 20.231 -6.465 -0.287 23 2H2 G 2 H22 G 2 20.661 -8.145 -0.048 24 1H5* A 3 H5' A 3 19.794 -13.104 -3.149 25 2H5* A 3 H5'' A 3 18.402 -14.059 -3.697 26 H4* A 3 H4' A 3 17.600 -12.672 -1.939 27 H3* A 3 H3' A 3 16.854 -11.513 -4.671 28 H2* A 3 H2' A 3 15.751 -9.713 -3.508 29 2HO* A 3 2HO' A 3 14.812 -10.105 -1.648 30 H1* A 3 H1' A 3 17.665 -9.372 -1.517 31 H8 A 3 H8 A 3 18.930 -10.059 -5.114 32 1H6 A 3 H61 A 3 19.024 -3.890 -5.707 33 2H6 A 3 H62 A 3 19.535 -5.405 -6.419 34 H2 A 3 H2 A 3 17.238 -4.866 -1.731 35 1H5* A 4 H5' A 4 13.433 -11.369 -1.971 36 2H5* A 4 H5'' A 4 11.941 -11.487 -2.924 37 H4* A 4 H4' A 4 12.364 -9.333 -1.536 38 H3* A 4 H3' A 4 11.549 -9.293 -4.487 39 H2* A 4 H2' A 4 11.586 -6.898 -4.370 40 2HO* A 4 2HO' A 4 12.005 -6.679 -1.642 41 H1* A 4 H1' A 4 13.767 -6.674 -2.593 42 H8 A 4 H8 A 4 14.541 -9.097 -5.415 43 1H6 A 4 H61 A 4 16.071 -4.106 -8.761 44 2H6 A 4 H62 A 4 16.221 -5.844 -8.636 45 H2 A 4 H2 A 4 14.172 -2.699 -4.968 46 1H5* G 5 H5' G 5 9.492 -6.359 -3.043 47 2H5* G 5 H5'' G 5 7.740 -6.589 -3.212 48 H4* G 5 H4' G 5 8.373 -4.429 -4.123 49 H3* G 5 H3' G 5 7.027 -6.381 -5.807 50 H2* G 5 H2' G 5 8.773 -6.436 -7.459 51 2HO* G 5 2HO' G 5 7.218 -5.306 -8.587 52 H1* G 5 H1' G 5 9.537 -3.595 -6.635 53 H8 G 5 H8 G 5 11.380 -7.031 -6.968 54 H1 G 5 H1 G 5 13.680 -2.230 -10.561 55 1H2 G 5 H21 G 5 12.453 -0.402 -10.251 56 2H2 G 5 H22 G 5 10.980 -0.429 -9.309 57 1H5* U 6 H5' U 6 3.561 -2.455 -5.850 58 2H5* U 6 H5'' U 6 2.686 -3.459 -7.026 59 H4* U 6 H4' U 6 3.807 -2.190 -8.566 60 H3* U 6 H3' U 6 5.932 -4.187 -7.678 61 H2* U 6 H2' U 6 7.631 -2.826 -8.574 62 2HO* U 6 2HO' U 6 5.865 -1.673 -10.461 63 H1* U 6 H1' U 6 5.984 -0.398 -8.881 64 H3 U 6 H3 U 6 10.013 1.332 -7.602 65 H5 U 6 H5 U 6 8.754 -0.935 -4.274 66 H6 U 6 H6 U 6 6.905 -1.749 -5.624 67 1H5* C 7 H5' C 7 3.653 -3.878 -11.144 68 2H5* C 7 H5'' C 7 2.444 -4.989 -11.821 69 H4* C 7 H4' C 7 3.362 -4.198 -13.785 70 H3* C 7 H3' C 7 5.189 -6.506 -12.955 71 H2* C 7 H2' C 7 6.624 -5.964 -14.793 72 2HO* C 7 2HO' C 7 5.866 -5.020 -16.601 73 H1* C 7 H1' C 7 6.313 -3.176 -14.704 74 1H4 C 7 H41 C 7 11.959 -4.667 -12.117 75 2H4 C 7 H42 C 7 11.237 -4.583 -10.526 76 H5 C 7 H5 C 7 8.810 -4.318 -10.191 77 H6 C 7 H6 C 7 6.664 -4.074 -11.327 78 1H5* C 8 H5' C 8 3.992 -6.816 -17.337 79 2H5* C 8 H5'' C 8 3.514 -8.508 -17.584 80 H4* C 8 H4' C 8 5.005 -7.826 -19.372 81 H3* C 8 H3' C 8 6.268 -9.750 -17.358 82 H2* C 8 H2' C 8 8.290 -9.664 -18.665 83 2HO* C 8 2HO' C 8 6.905 -8.195 -20.669 84 H1* C 8 H1' C 8 8.224 -6.948 -19.242 85 1H4 C 8 H41 C 8 11.989 -7.445 -14.113 86 2H4 C 8 H42 C 8 10.609 -7.658 -13.060 87 H5 C 8 H5 C 8 8.334 -8.013 -13.936 88 H6 C 8 H6 C 8 6.962 -8.010 -15.954 89 1H5* G 9 H5' G 9 6.602 -10.847 -21.529 90 2H5* G 9 H5'' G 9 6.756 -12.580 -21.881 91 H4* G 9 H4' G 9 8.628 -11.128 -22.764 92 H3* G 9 H3' G 9 9.266 -13.408 -20.820 93 H2* G 9 H2' G 9 11.591 -12.828 -21.078 94 2HO* G 9 2HO' G 9 12.051 -11.119 -22.750 95 H1* G 9 H1' G 9 11.246 -10.069 -21.072 96 H8 G 9 H8 G 9 9.041 -11.851 -18.495 97 H1 G 9 H1 G 9 15.018 -10.633 -16.496 98 1H2 G 9 H21 G 9 16.232 -9.839 -18.182 99 2H2 G 9 H22 G 9 15.622 -9.805 -19.820 100 1H5* G 10 H5' G 10 11.974 -13.284 -23.719 101 2H5* G 10 H5'' G 10 11.948 -14.695 -24.794 102 H4* G 10 H4' G 10 14.234 -14.321 -24.406 103 H3* G 10 H3' G 10 13.259 -16.438 -22.417 104 H2* G 10 H2' G 10 15.546 -16.548 -21.622 105 2HO* G 10 2HO' G 10 16.986 -14.918 -22.937 106 H1* G 10 H1' G 10 15.967 -13.839 -21.543 107 H8 G 10 H8 G 10 12.383 -14.954 -20.633 108 H1 G 10 H1 G 10 16.511 -14.836 -15.722 109 1H2 G 10 H21 G 10 18.554 -14.364 -16.459 110 2H2 G 10 H22 G 10 18.919 -14.271 -18.168 111 1H5* U 11 H5' U 11 16.444 -19.129 -24.915 112 2H5* U 11 H5'' U 11 15.429 -20.585 -24.882 113 H4* U 11 H4' U 11 17.751 -20.894 -23.962 114 H3* U 11 H3' U 11 15.350 -21.435 -22.132 115 H2* U 11 H2' U 11 16.938 -22.118 -20.464 116 2HO* U 11 2HO' U 11 18.805 -22.036 -22.615 117 H1* U 11 H1' U 11 18.724 -20.060 -20.847 118 H3 U 11 H3 U 11 16.620 -19.035 -16.921 119 H5 U 11 H5 U 11 13.949 -17.783 -19.935 120 H6 U 11 H6 U 11 15.390 -18.869 -21.560 121 1H5* C 12 H5' C 12 18.486 -24.006 -20.795 122 2H5* C 12 H5'' C 12 17.929 -25.569 -21.423 123 H4* C 12 H4' C 12 18.591 -25.987 -19.186 124 H3* C 12 H3' C 12 15.554 -25.583 -19.239 125 H2* C 12 H2' C 12 15.635 -26.197 -16.882 126 2HO* C 12 2HO' C 12 17.760 -27.593 -17.750 127 H1* C 12 H1' C 12 17.965 -24.762 -16.334 128 1H4 C 12 H41 C 12 12.811 -21.408 -14.503 129 2H4 C 12 H42 C 12 13.154 -20.296 -15.808 130 H5 C 12 H5 C 12 14.744 -20.842 -17.605 131 H6 C 12 H6 C 12 16.464 -22.409 -18.324 132 1H5* U 13 H5' U 13 15.347 -28.570 -16.739 133 2H5* U 13 H5'' U 13 13.871 -29.449 -17.183 134 H4* U 13 H4' U 13 13.859 -28.096 -14.991 135 H3* U 13 H3' U 13 11.671 -27.840 -17.105 136 H2* U 13 H2' U 13 10.625 -26.185 -15.744 137 2HO* U 13 2HO' U 13 11.079 -26.054 -13.504 138 H1* U 13 H1' U 13 12.960 -25.103 -14.576 139 H3 U 13 H3 U 13 10.160 -22.115 -16.942 140 H5 U 13 H5 U 13 13.519 -23.056 -19.310 141 H6 U 13 H6 U 13 14.040 -24.822 -17.728 142 1H5* U 14 H5' U 14 7.827 -28.423 -15.337 143 2H5* U 14 H5'' U 14 9.457 -28.094 -14.710 144 H4* U 14 H4' U 14 7.745 -30.500 -14.075 145 H3* U 14 H3' U 14 7.414 -27.982 -12.910 146 H2* U 14 H2' U 14 9.549 -27.877 -11.819 147 2HO* U 14 2HO' U 14 8.903 -28.058 -9.812 148 H1* U 14 H1' U 14 9.442 -30.875 -11.285 149 H3 U 14 H3 U 14 13.691 -30.835 -9.725 150 H5 U 14 H5 U 14 13.772 -27.831 -12.681 151 H6 U 14 H6 U 14 11.418 -28.277 -13.107 152 1H5* C 15 H5' C 15 7.158 -27.155 -10.692 153 2H5* C 15 H5'' C 15 5.547 -26.864 -10.019 154 H4* C 15 H4' C 15 6.773 -24.784 -10.522 155 H3* C 15 H3' C 15 4.064 -25.160 -11.166 156 H2* C 15 H2' C 15 4.576 -25.647 -13.541 157 2HO* C 15 2HO' C 15 4.084 -22.889 -13.042 158 H1* C 15 H1' C 15 6.536 -23.324 -13.302 159 1H4 C 15 H41 C 15 7.134 -24.907 -19.444 160 2H4 C 15 H42 C 15 8.254 -26.165 -18.972 161 H5 C 15 H5 C 15 8.609 -26.783 -16.620 162 H6 C 15 H6 C 15 8.010 -26.312 -14.319 163 1H5* G 16 H5' G 16 6.936 -21.281 -8.353 164 2H5* G 16 H5'' G 16 8.383 -21.551 -9.347 165 H4* G 16 H4' G 16 7.509 -22.954 -6.827 166 H3* G 16 H3' G 16 10.152 -21.766 -7.821 167 H2* G 16 H2' G 16 11.232 -23.295 -6.253 168 2HO* G 16 2HO' G 16 10.085 -23.504 -4.455 169 H1* G 16 H1' G 16 9.698 -25.477 -6.947 170 H8 G 16 H8 G 16 12.635 -25.358 -7.294 171 H1 G 16 H1 G 16 11.031 -24.135 -13.385 172 1H2 G 16 H21 G 16 8.952 -23.376 -13.483 173 2H2 G 16 H22 G 16 7.962 -23.193 -12.054 174 1H5* G 17 H5' G 17 12.417 -20.322 -3.695 175 2H5* G 17 H5'' G 17 12.950 -19.034 -4.788 176 H4* G 17 H4' G 17 14.262 -21.451 -4.408 177 H3* G 17 H3' G 17 14.332 -19.578 -6.844 178 H2* G 17 H2' G 17 15.895 -21.203 -7.786 179 2HO* G 17 2HO' G 17 16.065 -21.925 -5.103 180 H1* G 17 H1' G 17 14.321 -23.378 -7.197 181 H8 G 17 H8 G 17 12.105 -20.369 -7.859 182 H1 G 17 H1 G 17 14.426 -23.015 -13.219 183 1H2 G 17 H21 G 17 15.928 -24.568 -12.715 184 2H2 G 17 H22 G 17 16.486 -24.813 -11.072 185 1H5* A 18 H5' A 18 17.876 -20.770 -6.347 186 2H5* A 18 H5'' A 18 19.181 -19.579 -6.190 187 H4* A 18 H4' A 18 19.723 -21.175 -7.943 188 H3* A 18 H3' A 18 18.980 -18.401 -9.016 189 H2* A 18 H2' A 18 19.530 -19.262 -11.198 190 2HO* A 18 2HO' A 18 21.071 -20.716 -11.426 191 H1* A 18 H1' A 18 18.520 -21.857 -10.761 192 H8 A 18 H8 A 18 15.724 -19.764 -9.602 193 1H6 A 18 H61 A 18 14.456 -18.485 -15.532 194 2H6 A 18 H62 A 18 13.811 -18.527 -13.906 195 H2 A 18 H2 A 18 18.512 -20.356 -15.361 196 1H5* C 19 H5' C 19 22.247 -18.799 -11.080 197 2H5* C 19 H5'' C 19 23.455 -17.581 -10.622 198 H4* C 19 H4' C 19 23.255 -17.239 -12.921 199 H3* C 19 H3' C 19 21.202 -15.372 -11.615 200 H2* C 19 H2' C 19 20.675 -14.629 -13.847 201 2HO* C 19 2HO' C 19 22.952 -16.077 -14.779 202 H1* C 19 H1' C 19 20.925 -17.158 -15.069 203 1H4 C 19 H41 C 19 14.675 -16.122 -14.299 204 2H4 C 19 H42 C 19 14.770 -16.513 -12.597 205 H5 C 19 H5 C 19 16.928 -16.813 -11.440 206 H6 C 19 H6 C 19 19.338 -17.003 -11.755 207 1H5* C 20 H5' C 20 22.910 -13.609 -14.956 208 2H5* C 20 H5'' C 20 23.926 -12.282 -14.362 209 H4* C 20 H4' C 20 22.880 -11.341 -16.229 210 H3* C 20 H3' C 20 21.098 -10.666 -13.823 211 H2* C 20 H2' C 20 19.738 -9.432 -15.394 212 2HO* C 20 2HO' C 20 20.596 -9.157 -17.597 213 H1* C 20 H1' C 20 19.965 -11.293 -17.487 214 1H4 C 20 H41 C 20 14.326 -12.440 -14.724 215 2H4 C 20 H42 C 20 15.093 -13.203 -13.350 216 H5 C 20 H5 C 20 17.532 -13.136 -13.007 217 H6 C 20 H6 C 20 19.662 -12.518 -14.022 218 1H5* G 21 H5' G 21 22.553 -6.996 -16.255 219 2H5* G 21 H5'' G 21 22.025 -5.522 -15.418 220 H4* G 21 H4' G 21 21.072 -6.176 -17.826 221 H3* G 21 H3' G 21 19.428 -4.981 -15.539 222 H2* G 21 H2' G 21 17.582 -4.999 -17.116 223 2HO* G 21 2HO' G 21 19.660 -4.812 -18.879 224 H1* G 21 H1' G 21 18.175 -7.474 -18.239 225 H8 G 21 H8 G 21 18.611 -7.604 -14.469 226 H1 G 21 H1 G 21 12.505 -8.077 -16.392 227 1H2 G 21 H21 G 21 12.373 -7.703 -18.584 228 2H2 G 21 H22 G 21 13.746 -7.130 -19.502 229 1H5* G 22 H5' G 22 19.474 -2.042 -18.671 230 2H5* G 22 H5'' G 22 20.039 -0.432 -18.177 231 H4* G 22 H4' G 22 17.924 -0.080 -19.189 232 H3* G 22 H3' G 22 17.696 -0.081 -16.152 233 H2* G 22 H2' G 22 15.316 0.257 -16.393 234 2HO* G 22 2HO' G 22 15.242 0.411 -19.145 235 H1* G 22 H1' G 22 14.918 -1.511 -18.479 236 H8 G 22 H8 G 22 17.503 -2.962 -16.076 237 H1 G 22 H1 G 22 11.406 -3.747 -14.194 238 1H2 G 22 H21 G 22 10.048 -2.617 -15.548 239 2H2 G 22 H22 G 22 10.664 -1.520 -16.764 240 1H5* C 23 H5' C 23 16.179 3.886 -16.384 241 2H5* C 23 H5'' C 23 16.976 4.730 -15.040 242 H4* C 23 H4' C 23 14.531 4.352 -14.679 243 H3* C 23 H3' C 23 16.457 2.948 -12.743 244 H2* C 23 H2' C 23 14.471 2.251 -11.544 245 2HO* C 23 2HO' C 23 13.283 4.125 -11.528 246 H1* C 23 H1' C 23 12.964 1.663 -13.812 247 1H4 C 23 H41 C 23 15.491 -3.787 -11.635 248 2H4 C 23 H42 C 23 16.896 -3.564 -12.656 249 H5 C 23 H5 C 23 17.338 -1.434 -13.829 250 H6 C 23 H6 C 23 16.408 0.754 -14.390 251 1H5* U 24 H5' U 24 14.435 5.924 -9.582 252 2H5* U 24 H5'' U 24 15.884 6.063 -8.566 253 H4* U 24 H4' U 24 13.728 5.113 -7.498 254 H3* U 24 H3' U 24 16.415 3.653 -7.286 255 H2* U 24 H2' U 24 15.276 2.037 -5.918 256 2HO* U 24 2HO' U 24 12.855 3.388 -5.776 257 H1* U 24 H1' U 24 12.833 2.098 -7.325 258 H3 U 24 H3 U 24 14.518 -2.150 -7.675 259 H5 U 24 H5 U 24 16.715 0.117 -10.471 260 H6 U 24 H6 U 24 15.659 2.113 -9.575 261 1H5* U 25 H5' U 25 14.298 3.783 -3.765 262 2H5* U 25 H5'' U 25 15.147 4.717 -2.515 263 H4* U 25 H4' U 25 14.222 2.869 -1.373 264 H3* U 25 H3' U 25 17.159 2.306 -2.023 265 H2* U 25 H2' U 25 16.896 0.168 -0.943 266 2HO* U 25 2HO' U 25 14.277 0.605 -0.101 267 H1* U 25 H1' U 25 14.349 -0.400 -1.920 268 H3 U 25 H3 U 25 16.913 -3.376 -4.224 269 H5 U 25 H5 U 25 18.050 0.363 -5.813 270 H6 U 25 H6 U 25 16.644 1.421 -4.137 271 1H5* C 26 H5' C 26 16.229 0.636 1.636 272 2H5* C 26 H5'' C 26 17.117 1.532 2.884 273 H4* C 26 H4' C 26 17.367 -0.747 3.465 274 H3* C 26 H3' C 26 19.851 0.235 1.977 275 H2* C 26 H2' C 26 20.766 -1.976 2.174 276 2HO* C 26 2HO' C 26 18.663 -2.516 4.035 277 H1* C 26 H1' C 26 18.374 -3.392 1.802 278 1H4 C 26 H41 C 26 21.073 -3.523 -3.967 279 2H4 C 26 H42 C 26 20.987 -1.783 -4.127 280 H5 C 26 H5 C 26 19.950 -0.360 -2.407 281 H6 C 26 H6 C 26 19.033 -0.327 -0.148 282 1H5* C 27 H5' C 27 21.841 -2.460 4.605 283 2H5* C 27 H5'' C 27 22.245 -1.290 5.879 284 H4* C 27 H4' C 27 24.252 -2.451 5.631 285 H3* C 27 H3' C 27 24.382 -0.129 3.647 286 H2* C 27 H2' C 27 26.586 -0.874 3.091 287 2HO* C 27 2HO' C 27 27.803 -1.896 4.515 288 H1* C 27 H1' C 27 25.961 -3.605 3.165 289 1H4 C 27 H41 C 27 25.835 -1.843 -2.959 290 2H4 C 27 H42 C 27 24.157 -1.371 -2.813 291 H5 C 27 H5 C 27 22.933 -1.518 -0.678 292 H6 C 27 H6 C 27 23.155 -1.968 1.711 293 H3T C 27 H3T C 27 25.868 -0.627 6.021 294 1HN1 NCO 28 1HN1 NCO 28 12.498 -8.176 -9.748 295 2HN1 NCO 28 2HN1 NCO 28 12.671 -7.874 -11.338 296 3HN1 NCO 28 3HN1 NCO 28 11.726 -9.102 -10.840 297 1HN2 NCO 28 1HN2 NCO 28 16.590 -10.584 -10.592 298 2HN2 NCO 28 2HN2 NCO 28 15.647 -11.810 -10.089 299 3HN2 NCO 28 3HN2 NCO 28 15.817 -11.512 -11.679 300 1HN3 NCO 28 1HN3 NCO 28 12.543 -10.376 -12.608 301 2HN3 NCO 28 2HN3 NCO 28 14.034 -10.189 -13.231 302 3HN3 NCO 28 3HN3 NCO 28 13.630 -11.582 -12.497 303 1HN4 NCO 28 1HN4 NCO 28 15.458 -7.688 -11.090 304 2HN4 NCO 28 2HN4 NCO 28 16.071 -8.841 -12.059 305 3HN4 NCO 28 3HN4 NCO 28 14.694 -8.081 -12.470 306 1HN5 NCO 28 1HN5 NCO 28 14.686 -8.105 -8.933 307 2HN5 NCO 28 2HN5 NCO 28 14.283 -9.498 -8.198 308 3HN5 NCO 28 3HN5 NCO 28 15.773 -9.310 -8.822 309 1HN6 NCO 28 1HN6 NCO 28 12.245 -10.845 -9.371 310 2HN6 NCO 28 2HN6 NCO 28 12.858 -11.999 -10.340 311 3HN6 NCO 28 3HN6 NCO 28 13.622 -11.606 -8.959 Start of MODEL 11 1 1H5* G 1 H5' G 1 32.277 -5.506 -4.572 2 2H5* G 1 H5'' G 1 31.615 -6.934 -5.395 3 H4* G 1 H4' G 1 31.675 -7.453 -3.065 4 H3* G 1 H3' G 1 28.847 -6.687 -3.947 5 H2* G 1 H2' G 1 28.158 -7.213 -1.660 6 2HO* G 1 2HO' G 1 30.024 -7.932 -0.238 7 H1* G 1 H1' G 1 30.170 -5.809 -0.461 8 H8 G 1 H8 G 1 29.115 -4.276 -3.823 9 H1 G 1 H1 G 1 25.846 -2.114 1.256 10 1H2 G 1 H21 G 1 26.344 -3.310 3.055 11 2H2 G 1 H22 G 1 27.496 -4.627 3.004 12 H5T G 1 H5T G 1 30.009 -5.783 -6.049 13 1H5* G 2 H5' G 2 28.022 -10.136 -1.973 14 2H5* G 2 H5'' G 2 26.491 -10.786 -2.589 15 H4* G 2 H4' G 2 26.482 -9.673 -0.266 16 H3* G 2 H3' G 2 24.504 -8.804 -2.444 17 H2* G 2 H2' G 2 23.514 -7.410 -0.739 18 2HO* G 2 2HO' G 2 23.475 -8.972 0.913 19 H1* G 2 H1' G 2 25.948 -6.677 0.471 20 H8 G 2 H8 G 2 26.847 -5.977 -2.967 21 H1 G 2 H1 G 2 22.131 -2.078 -1.036 22 1H2 G 2 H21 G 2 21.259 -2.826 0.868 23 2H2 G 2 H22 G 2 21.706 -4.379 1.537 24 1H5* A 3 H5' A 3 21.412 -11.052 0.098 25 2H5* A 3 H5'' A 3 20.190 -11.395 -1.143 26 H4* A 3 H4' A 3 19.775 -9.561 0.755 27 H3* A 3 H3' A 3 18.986 -9.286 -2.197 28 H2* A 3 H2' A 3 18.019 -7.162 -1.576 29 2HO* A 3 2HO' A 3 17.420 -6.720 0.480 30 H1* A 3 H1' A 3 20.055 -6.424 0.204 31 H8 A 3 H8 A 3 22.095 -7.590 -2.583 32 1H6 A 3 H61 A 3 20.454 -2.537 -5.769 33 2H6 A 3 H62 A 3 21.492 -3.945 -5.751 34 H2 A 3 H2 A 3 17.677 -2.932 -2.296 35 1H5* A 4 H5' A 4 15.998 -8.019 -0.223 36 2H5* A 4 H5'' A 4 14.459 -8.882 -0.413 37 H4* A 4 H4' A 4 13.972 -6.569 -0.691 38 H3* A 4 H3' A 4 14.154 -7.955 -3.416 39 H2* A 4 H2' A 4 13.620 -5.836 -4.409 40 2HO* A 4 2HO' A 4 11.851 -5.315 -3.130 41 H1* A 4 H1' A 4 14.996 -4.232 -2.536 42 H8 A 4 H8 A 4 17.239 -7.032 -3.765 43 1H6 A 4 H61 A 4 18.504 -3.331 -8.582 44 2H6 A 4 H62 A 4 18.867 -4.868 -7.826 45 H2 A 4 H2 A 4 15.058 -1.574 -6.349 46 1H5* G 5 H5' G 5 9.401 -6.034 -4.124 47 2H5* G 5 H5'' G 5 9.916 -6.190 -5.816 48 H4* G 5 H4' G 5 10.359 -3.916 -3.886 49 H3* G 5 H3' G 5 8.613 -4.062 -6.052 50 H2* G 5 H2' G 5 10.379 -4.357 -7.724 51 2HO* G 5 2HO' G 5 10.795 -2.086 -8.457 52 H1* G 5 H1' G 5 11.983 -2.236 -6.226 53 H8 G 5 H8 G 5 13.135 -5.815 -6.913 54 H1 G 5 H1 G 5 15.558 -1.440 -10.943 55 1H2 G 5 H21 G 5 14.543 0.513 -10.637 56 2H2 G 5 H22 G 5 13.296 0.732 -9.430 57 1H5* U 6 H5' U 6 5.864 -0.486 -5.242 58 2H5* U 6 H5'' U 6 5.009 -1.712 -6.201 59 H4* U 6 H4' U 6 5.596 -0.206 -7.864 60 H3* U 6 H3' U 6 7.791 -2.275 -7.653 61 H2* U 6 H2' U 6 9.401 -0.809 -8.535 62 2HO* U 6 2HO' U 6 7.452 0.190 -10.346 63 H1* U 6 H1' U 6 7.520 1.516 -8.768 64 H3 U 6 H3 U 6 11.597 3.606 -8.704 65 H5 U 6 H5 U 6 11.262 1.798 -4.907 66 H6 U 6 H6 U 6 9.245 0.692 -5.695 67 1H5* C 7 H5' C 7 5.083 -1.168 -10.608 68 2H5* C 7 H5'' C 7 3.420 -1.638 -11.016 69 H4* C 7 H4' C 7 4.124 -1.772 -13.171 70 H3* C 7 H3' C 7 5.667 -4.160 -12.041 71 H2* C 7 H2' C 7 6.853 -4.285 -14.125 72 2HO* C 7 2HO' C 7 5.361 -4.113 -15.680 73 H1* C 7 H1' C 7 7.086 -1.533 -14.570 74 1H4 C 7 H41 C 7 12.638 -3.528 -12.118 75 2H4 C 7 H42 C 7 12.031 -3.282 -10.496 76 H5 C 7 H5 C 7 9.647 -2.838 -10.041 77 H6 C 7 H6 C 7 7.492 -2.338 -11.070 78 1H5* C 8 H5' C 8 3.020 -5.384 -15.951 79 2H5* C 8 H5'' C 8 2.876 -7.143 -15.761 80 H4* C 8 H4' C 8 3.747 -6.236 -18.015 81 H3* C 8 H3' C 8 5.163 -8.426 -16.424 82 H2* C 8 H2' C 8 6.867 -8.487 -18.127 83 2HO* C 8 2HO' C 8 4.998 -6.942 -19.638 84 H1* C 8 H1' C 8 7.089 -5.759 -18.512 85 1H4 C 8 H41 C 8 11.518 -7.279 -14.174 86 2H4 C 8 H42 C 8 10.349 -7.114 -12.883 87 H5 C 8 H5 C 8 7.947 -6.793 -13.317 88 H6 C 8 H6 C 8 6.271 -6.466 -15.060 89 1H5* G 9 H5' G 9 5.319 -9.030 -20.386 90 2H5* G 9 H5'' G 9 4.868 -10.645 -20.968 91 H4* G 9 H4' G 9 7.065 -9.906 -21.842 92 H3* G 9 H3' G 9 7.074 -12.309 -19.942 93 H2* G 9 H2' G 9 9.453 -12.447 -20.306 94 2HO* G 9 2HO' G 9 10.185 -10.719 -22.020 95 H1* G 9 H1' G 9 9.947 -9.703 -20.306 96 H8 G 9 H8 G 9 7.488 -10.667 -17.558 97 H1 G 9 H1 G 9 13.652 -11.577 -16.011 98 1H2 G 9 H21 G 9 14.936 -11.263 -17.798 99 2H2 G 9 H22 G 9 14.257 -10.972 -19.384 100 1H5* G 10 H5' G 10 9.331 -12.694 -23.193 101 2H5* G 10 H5'' G 10 9.354 -14.218 -24.103 102 H4* G 10 H4' G 10 11.621 -13.410 -23.414 103 H3* G 10 H3' G 10 10.632 -16.108 -22.375 104 H2* G 10 H2' G 10 12.697 -16.347 -21.181 105 2HO* G 10 2HO' G 10 14.286 -14.436 -21.872 106 H1* G 10 H1' G 10 13.077 -13.621 -20.552 107 H8 G 10 H8 G 10 9.539 -14.706 -19.749 108 H1 G 10 H1 G 10 13.808 -16.272 -15.228 109 1H2 G 10 H21 G 10 15.873 -16.048 -16.019 110 2H2 G 10 H22 G 10 16.186 -15.313 -17.576 111 1H5* U 11 H5' U 11 14.792 -16.618 -22.573 112 2H5* U 11 H5'' U 11 14.954 -17.612 -24.038 113 H4* U 11 H4' U 11 16.220 -18.877 -22.580 114 H3* U 11 H3' U 11 13.344 -19.823 -22.191 115 H2* U 11 H2' U 11 14.024 -21.119 -20.356 116 2HO* U 11 2HO' U 11 16.621 -20.958 -21.521 117 H1* U 11 H1' U 11 16.185 -19.554 -19.476 118 H3 U 11 H3 U 11 13.757 -19.323 -15.683 119 H5 U 11 H5 U 11 10.922 -18.337 -18.651 120 H6 U 11 H6 U 11 12.671 -18.600 -20.312 121 1H5* C 12 H5' C 12 16.899 -23.421 -22.833 122 2H5* C 12 H5'' C 12 15.768 -24.696 -23.333 123 H4* C 12 H4' C 12 17.483 -25.233 -21.462 124 H3* C 12 H3' C 12 14.490 -25.798 -21.184 125 H2* C 12 H2' C 12 15.001 -26.761 -19.008 126 2HO* C 12 2HO' C 12 16.914 -27.623 -18.619 127 H1* C 12 H1' C 12 16.835 -24.829 -18.257 128 1H4 C 12 H41 C 12 11.443 -22.853 -15.566 129 2H4 C 12 H42 C 12 11.014 -21.984 -17.022 130 H5 C 12 H5 C 12 12.343 -22.133 -19.087 131 H6 C 12 H6 C 12 14.288 -23.209 -20.129 132 1H5* U 13 H5' U 13 15.239 -29.056 -19.340 133 2H5* U 13 H5'' U 13 14.257 -30.303 -20.132 134 H4* U 13 H4' U 13 13.554 -29.787 -17.781 135 H3* U 13 H3' U 13 11.541 -29.246 -20.031 136 H2* U 13 H2' U 13 9.962 -28.714 -18.287 137 2HO* U 13 2HO' U 13 10.976 -29.074 -16.006 138 H1* U 13 H1' U 13 11.787 -27.334 -16.662 139 H3 U 13 H3 U 13 8.333 -24.834 -18.804 140 H5 U 13 H5 U 13 11.974 -24.188 -20.835 141 H6 U 13 H6 U 13 12.947 -25.977 -19.512 142 1H5* U 14 H5' U 14 8.816 -31.469 -16.599 143 2H5* U 14 H5'' U 14 10.537 -31.695 -16.945 144 H4* U 14 H4' U 14 8.375 -33.784 -16.981 145 H3* U 14 H3' U 14 9.832 -33.146 -14.737 146 H2* U 14 H2' U 14 12.029 -33.598 -15.650 147 2HO* U 14 2HO' U 14 11.022 -36.164 -14.896 148 H1* U 14 H1' U 14 10.971 -36.053 -17.091 149 H3 U 14 H3 U 14 14.859 -36.510 -19.353 150 H5 U 14 H5 U 14 14.517 -32.323 -18.963 151 H6 U 14 H6 U 14 12.454 -32.676 -17.734 152 1H5* C 15 H5' C 15 8.039 -34.254 -11.114 153 2H5* C 15 H5'' C 15 6.560 -33.747 -11.957 154 H4* C 15 H4' C 15 7.484 -32.050 -10.340 155 H3* C 15 H3' C 15 6.272 -31.374 -12.705 156 H2* C 15 H2' C 15 8.365 -31.531 -14.005 157 2HO* C 15 2HO' C 15 8.038 -28.837 -13.099 158 H1* C 15 H1' C 15 9.604 -29.838 -11.779 159 1H4 C 15 H41 C 15 15.242 -32.119 -13.882 160 2H4 C 15 H42 C 15 14.738 -31.564 -15.463 161 H5 C 15 H5 C 15 12.421 -30.901 -15.943 162 H6 C 15 H6 C 15 10.216 -30.560 -14.987 163 1H5* G 16 H5' G 16 6.739 -26.001 -9.919 164 2H5* G 16 H5'' G 16 7.523 -26.770 -11.314 165 H4* G 16 H4' G 16 7.655 -28.090 -8.610 166 H3* G 16 H3' G 16 9.357 -25.710 -9.518 167 H2* G 16 H2' G 16 11.249 -26.808 -8.485 168 2HO* G 16 2HO' G 16 9.474 -28.810 -7.501 169 H1* G 16 H1' G 16 10.712 -29.327 -9.455 170 H8 G 16 H8 G 16 13.152 -27.715 -10.004 171 H1 G 16 H1 G 16 10.090 -26.335 -15.461 172 1H2 G 16 H21 G 16 7.922 -26.702 -15.243 173 2H2 G 16 H22 G 16 7.260 -27.480 -13.820 174 1H5* G 17 H5' G 17 10.216 -26.179 -6.192 175 2H5* G 17 H5'' G 17 10.633 -25.204 -4.771 176 H4* G 17 H4' G 17 12.717 -25.532 -5.760 177 H3* G 17 H3' G 17 11.619 -22.927 -6.943 178 H2* G 17 H2' G 17 13.692 -22.775 -8.178 179 2HO* G 17 2HO' G 17 15.418 -24.273 -7.654 180 H1* G 17 H1' G 17 13.862 -25.480 -8.833 181 H8 G 17 H8 G 17 10.499 -23.540 -8.905 182 H1 G 17 H1 G 17 13.467 -24.085 -14.564 183 1H2 G 17 H21 G 17 15.396 -25.143 -14.316 184 2H2 G 17 H22 G 17 16.041 -25.532 -12.735 185 1H5* A 18 H5' A 18 15.446 -22.730 -6.025 186 2H5* A 18 H5'' A 18 16.089 -21.254 -5.280 187 H4* A 18 H4' A 18 17.332 -21.705 -7.300 188 H3* A 18 H3' A 18 15.362 -19.382 -7.650 189 H2* A 18 H2' A 18 16.286 -19.125 -9.857 190 2HO* A 18 2HO' A 18 18.249 -20.596 -10.267 191 H1* A 18 H1' A 18 16.633 -21.872 -10.367 192 H8 A 18 H8 A 18 13.276 -20.594 -8.886 193 1H6 A 18 H61 A 18 11.449 -20.171 -14.796 194 2H6 A 18 H62 A 18 10.916 -20.148 -13.129 195 H2 A 18 H2 A 18 15.747 -21.392 -14.760 196 1H5* C 19 H5' C 19 19.654 -18.263 -8.743 197 2H5* C 19 H5'' C 19 19.744 -16.490 -8.778 198 H4* C 19 H4' C 19 20.188 -17.873 -10.973 199 H3* C 19 H3' C 19 18.430 -15.367 -10.828 200 H2* C 19 H2' C 19 18.089 -15.616 -13.198 201 2HO* C 19 2HO' C 19 20.265 -17.464 -13.086 202 H1* C 19 H1' C 19 17.956 -18.410 -13.224 203 1H4 C 19 H41 C 19 11.925 -16.353 -13.465 204 2H4 C 19 H42 C 19 11.894 -16.136 -11.729 205 H5 C 19 H5 C 19 13.928 -16.302 -10.348 206 H6 C 19 H6 C 19 16.300 -16.868 -10.369 207 1H5* C 20 H5' C 20 21.075 -14.791 -13.770 208 2H5* C 20 H5'' C 20 22.193 -13.418 -13.647 209 H4* C 20 H4' C 20 21.321 -13.204 -15.809 210 H3* C 20 H3' C 20 19.620 -11.469 -13.943 211 H2* C 20 H2' C 20 18.320 -10.852 -15.873 212 2HO* C 20 2HO' C 20 19.652 -12.110 -17.857 213 H1* C 20 H1' C 20 18.346 -13.368 -17.108 214 1H4 C 20 H41 C 20 12.734 -13.012 -14.090 215 2H4 C 20 H42 C 20 13.487 -13.390 -12.558 216 H5 C 20 H5 C 20 15.936 -13.433 -12.277 217 H6 C 20 H6 C 20 18.069 -13.338 -13.454 218 1H5* G 21 H5' G 21 20.476 -9.856 -17.496 219 2H5* G 21 H5'' G 21 21.331 -8.302 -17.504 220 H4* G 21 H4' G 21 19.613 -8.164 -19.160 221 H3* G 21 H3' G 21 18.836 -6.670 -16.612 222 H2* G 21 H2' G 21 16.775 -6.084 -17.703 223 2HO* G 21 2HO' G 21 18.026 -5.518 -19.678 224 H1* G 21 H1' G 21 16.427 -8.477 -19.124 225 H8 G 21 H8 G 21 17.380 -8.762 -15.400 226 H1 G 21 H1 G 21 11.078 -8.420 -16.571 227 1H2 G 21 H21 G 21 10.728 -7.950 -18.713 228 2H2 G 21 H22 G 21 12.044 -7.797 -19.856 229 1H5* G 22 H5' G 22 19.854 -3.376 -19.843 230 2H5* G 22 H5'' G 22 20.547 -2.017 -18.936 231 H4* G 22 H4' G 22 18.514 -1.438 -20.296 232 H3* G 22 H3' G 22 18.521 -1.004 -17.282 233 H2* G 22 H2' G 22 16.250 -0.212 -17.431 234 2HO* G 22 2HO' G 22 15.340 0.222 -19.539 235 H1* G 22 H1' G 22 15.322 -2.067 -19.263 236 H8 G 22 H8 G 22 17.595 -4.027 -17.026 237 H1 G 22 H1 G 22 11.975 -2.615 -14.254 238 1H2 G 22 H21 G 22 10.851 -1.168 -15.510 239 2H2 G 22 H22 G 22 11.577 -0.402 -16.905 240 1H5* C 23 H5' C 23 18.352 3.568 -17.748 241 2H5* C 23 H5'' C 23 19.528 3.823 -16.441 242 H4* C 23 H4' C 23 17.086 4.549 -16.030 243 H3* C 23 H3' C 23 18.625 2.755 -14.084 244 H2* C 23 H2' C 23 16.662 2.793 -12.669 245 2HO* C 23 2HO' C 23 15.156 4.363 -12.830 246 H1* C 23 H1' C 23 14.807 2.474 -14.694 247 1H4 C 23 H41 C 23 16.165 -3.314 -12.348 248 2H4 C 23 H42 C 23 17.321 -3.562 -13.637 249 H5 C 23 H5 C 23 18.051 -1.732 -15.112 250 H6 C 23 H6 C 23 17.654 0.593 -15.741 251 1H5* U 24 H5' U 24 17.980 6.472 -11.551 252 2H5* U 24 H5'' U 24 19.245 6.407 -10.305 253 H4* U 24 H4' U 24 16.674 5.988 -9.710 254 H3* U 24 H3' U 24 19.072 4.471 -8.554 255 H2* U 24 H2' U 24 17.501 3.179 -7.275 256 2HO* U 24 2HO' U 24 16.328 5.288 -6.811 257 H1* U 24 H1' U 24 15.485 3.064 -9.232 258 H3 U 24 H3 U 24 17.231 -1.074 -8.010 259 H5 U 24 H5 U 24 19.399 0.243 -11.378 260 H6 U 24 H6 U 24 18.343 2.417 -11.114 261 1H5* U 25 H5' U 25 16.307 6.293 -5.197 262 2H5* U 25 H5'' U 25 17.290 6.233 -3.719 263 H4* U 25 H4' U 25 15.003 4.893 -3.893 264 H3* U 25 H3' U 25 17.596 3.912 -2.603 265 H2* U 25 H2' U 25 16.504 1.812 -2.155 266 2HO* U 25 2HO' U 25 14.249 1.618 -2.294 267 H1* U 25 H1' U 25 15.148 1.590 -4.563 268 H3 U 25 H3 U 25 18.450 -1.588 -4.634 269 H5 U 25 H5 U 25 20.392 2.016 -5.654 270 H6 U 25 H6 U 25 18.337 3.192 -5.104 271 1H5* C 26 H5' C 26 15.029 2.498 0.250 272 2H5* C 26 H5'' C 26 15.443 3.295 1.781 273 H4* C 26 H4' C 26 15.509 0.907 2.122 274 H3* C 26 H3' C 26 18.275 2.203 1.999 275 H2* C 26 H2' C 26 19.247 0.031 2.311 276 2HO* C 26 2HO' C 26 16.620 -0.680 3.172 277 H1* C 26 H1' C 26 17.413 -1.421 0.772 278 1H4 C 26 H41 C 26 22.484 -0.521 -2.990 279 2H4 C 26 H42 C 26 21.938 1.089 -3.401 280 H5 C 26 H5 C 26 20.047 2.171 -2.248 281 H6 C 26 H6 C 26 18.262 1.837 -0.620 282 1H5* C 27 H5' C 27 20.157 1.886 6.922 283 2H5* C 27 H5'' C 27 20.918 2.078 5.329 284 H4* C 27 H4' C 27 20.649 -0.450 6.979 285 H3* C 27 H3' C 27 23.005 1.162 5.904 286 H2* C 27 H2' C 27 24.254 -0.884 5.782 287 2HO* C 27 2HO' C 27 22.055 -2.189 7.047 288 H1* C 27 H1' C 27 22.217 -2.374 4.663 289 1H4 C 27 H41 C 27 25.723 0.136 -0.078 290 2H4 C 27 H42 C 27 24.458 1.314 -0.348 291 H5 C 27 H5 C 27 22.446 1.424 1.065 292 H6 C 27 H6 C 27 21.392 0.564 3.090 293 H3T C 27 H3T C 27 22.176 -0.037 8.342 294 1HN1 NCO 28 1HN1 NCO 28 16.294 -10.267 -10.066 295 2HN1 NCO 28 2HN1 NCO 28 16.418 -8.822 -10.802 296 3HN1 NCO 28 3HN1 NCO 28 15.940 -8.905 -9.250 297 1HN2 NCO 28 1HN2 NCO 28 11.638 -8.727 -11.419 298 2HN2 NCO 28 2HN2 NCO 28 11.992 -10.088 -12.238 299 3HN2 NCO 28 3HN2 NCO 28 11.512 -10.173 -10.686 300 1HN3 NCO 28 1HN3 NCO 28 13.442 -7.049 -10.297 301 2HN3 NCO 28 2HN3 NCO 28 14.840 -7.139 -11.125 302 3HN3 NCO 28 3HN3 NCO 28 13.421 -7.299 -11.905 303 1HN4 NCO 28 1HN4 NCO 28 14.117 -10.570 -13.047 304 2HN4 NCO 28 2HN4 NCO 28 14.393 -8.974 -13.197 305 3HN4 NCO 28 3HN4 NCO 28 15.572 -9.957 -12.660 306 1HN5 NCO 28 1HN5 NCO 28 14.483 -11.947 -11.190 307 2HN5 NCO 28 2HN5 NCO 28 14.511 -11.696 -9.584 308 3HN5 NCO 28 3HN5 NCO 28 13.089 -11.854 -10.357 309 1HN6 NCO 28 1HN6 NCO 28 13.814 -8.425 -8.442 310 2HN6 NCO 28 2HN6 NCO 28 12.359 -9.038 -8.827 311 3HN6 NCO 28 3HN6 NCO 28 13.539 -10.021 -8.291
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