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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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4476 |
1f7g ![]() ![]() |
cing | 1-original | 23 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 H5' G 1 4.934 -8.733 12.064 2 2H5* G 1 H5'' G 1 4.093 -7.440 11.183 3 H4* G 1 H4' G 1 6.521 -7.647 10.604 4 H3* G 1 H3' G 1 4.422 -8.059 8.421 5 H2* G 1 H2' G 1 6.204 -8.461 6.856 6 2HO* G 1 2HO' G 1 7.448 -6.675 8.153 7 H1* G 1 H1' G 1 7.767 -10.044 8.487 8 H8 G 1 H8 G 1 4.029 -10.667 9.049 9 H1 G 1 H1 G 1 6.569 -13.960 4.159 10 1H2 G 1 H21 G 1 8.605 -13.194 3.706 11 2H2 G 1 H22 G 1 9.402 -12.028 4.740 12 H5T G 1 H5T G 1 3.811 -10.199 11.033 13 1H5* G 2 H5' G 2 7.591 -6.778 6.053 14 2H5* G 2 H5'' G 2 7.109 -5.104 5.717 15 H4* G 2 H4' G 2 7.517 -5.865 3.570 16 H3* G 2 H3' G 2 4.597 -6.669 4.069 17 H2* G 2 H2' G 2 4.629 -7.461 1.783 18 2HO* G 2 2HO' G 2 6.907 -5.779 1.642 19 H1* G 2 H1' G 2 7.232 -8.509 1.907 20 H8 G 2 H8 G 2 5.723 -9.737 5.028 21 H1 G 2 H1 G 2 3.199 -12.644 -0.097 22 1H2 G 2 H21 G 2 3.791 -11.570 -1.947 23 2H2 G 2 H22 G 2 4.686 -10.068 -1.900 24 1H5* A 3 H5' A 3 4.167 -3.685 0.630 25 2H5* A 3 H5'' A 3 2.421 -3.364 0.591 26 H4* A 3 H4' A 3 3.624 -4.803 -1.312 27 H3* A 3 H3' A 3 0.875 -5.387 -0.090 28 H2* A 3 H2' A 3 0.754 -7.258 -1.601 29 2HO* A 3 2HO' A 3 2.723 -5.764 -2.978 30 H1* A 3 H1' A 3 3.476 -7.952 -1.464 31 H8 A 3 H8 A 3 2.325 -7.483 2.070 32 1H6 A 3 H61 A 3 -0.127 -13.164 1.697 33 2H6 A 3 H62 A 3 0.183 -11.806 2.754 34 H2 A 3 H2 A 3 1.006 -11.882 -2.429 35 1H5* A 4 H5' A 4 0.466 -5.890 -3.823 36 2H5* A 4 H5'' A 4 -0.577 -4.766 -4.716 37 H4* A 4 H4' A 4 -1.330 -6.834 -5.482 38 H3* A 4 H3' A 4 -3.047 -6.086 -3.065 39 H2* A 4 H2' A 4 -4.157 -8.199 -3.267 40 2HO* A 4 2HO' A 4 -3.480 -9.419 -5.361 41 H1* A 4 H1' A 4 -1.941 -9.715 -4.087 42 H8 A 4 H8 A 4 -1.515 -7.282 -1.106 43 1H6 A 4 H61 A 4 -2.850 -12.214 2.404 44 2H6 A 4 H62 A 4 -2.415 -10.520 2.419 45 H2 A 4 H2 A 4 -3.421 -13.365 -1.873 46 1H5* G 5 H5' G 5 -5.334 -8.072 -6.525 47 2H5* G 5 H5'' G 5 -6.954 -7.348 -6.455 48 H4* G 5 H4' G 5 -6.678 -9.954 -6.264 49 H3* G 5 H3' G 5 -8.485 -8.240 -4.490 50 H2* G 5 H2' G 5 -9.070 -10.210 -3.267 51 2HO* G 5 2HO' G 5 -8.824 -12.267 -4.174 52 H1* G 5 H1' G 5 -6.585 -11.536 -3.480 53 H8 G 5 H8 G 5 -6.281 -7.905 -2.346 54 H1 G 5 H1 G 5 -7.550 -12.064 2.379 55 1H2 G 5 H21 G 5 -8.125 -14.034 1.519 56 2H2 G 5 H22 G 5 -8.011 -14.360 -0.196 57 1H5* U 6 H5' U 6 -10.728 -11.512 -4.353 58 2H5* U 6 H5'' U 6 -12.305 -11.055 -5.030 59 H4* U 6 H4' U 6 -12.633 -11.826 -2.758 60 H3* U 6 H3' U 6 -12.933 -8.829 -3.158 61 H2* U 6 H2' U 6 -12.992 -8.478 -0.825 62 2HO* U 6 2HO' U 6 -14.614 -9.489 0.060 63 H1* U 6 H1' U 6 -11.912 -11.104 -0.062 64 H3 U 6 H3 U 6 -9.616 -8.548 2.910 65 H5 U 6 H5 U 6 -8.569 -6.891 -0.825 66 H6 U 6 H6 U 6 -10.165 -8.402 -1.860 67 1H5* U 7 H5' U 7 -15.905 -6.997 -4.169 68 2H5* U 7 H5'' U 7 -14.567 -6.431 -5.190 69 H4* U 7 H4' U 7 -14.294 -7.155 -2.255 70 H3* U 7 H3' U 7 -14.824 -4.466 -3.578 71 H2* U 7 H2' U 7 -13.028 -3.485 -2.400 72 2HO* U 7 2HO' U 7 -13.754 -3.684 -0.367 73 H1* U 7 H1' U 7 -11.687 -5.967 -1.631 74 H3 U 7 H3 U 7 -10.421 -3.641 -6.232 75 H5 U 7 H5 U 7 -8.008 -3.404 -2.781 76 H6 U 7 H6 U 7 -9.750 -4.589 -1.571 77 1H5* C 8 H5' C 8 -15.664 -6.873 -0.410 78 2H5* C 8 H5'' C 8 -16.968 -7.903 0.207 79 H4* C 8 H4' C 8 -17.599 -6.252 1.839 80 H3* C 8 H3' C 8 -15.596 -4.407 0.434 81 H2* C 8 H2' C 8 -15.153 -3.441 2.591 82 2HO* C 8 2HO' C 8 -16.614 -3.570 4.249 83 H1* C 8 H1' C 8 -15.391 -5.839 4.066 84 1H4 C 8 H41 C 8 -9.124 -4.803 3.598 85 2H4 C 8 H42 C 8 -9.120 -5.206 1.896 86 H5 C 8 H5 C 8 -11.192 -5.655 0.644 87 H6 C 8 H6 C 8 -13.615 -5.867 0.820 88 1H5* G 9 H5' G 9 -18.295 -2.573 3.481 89 2H5* G 9 H5'' G 9 -18.724 -0.942 2.930 90 H4* G 9 H4' G 9 -17.880 -0.977 5.265 91 H3* G 9 H3' G 9 -16.142 0.497 3.211 92 H2* G 9 H2' G 9 -14.749 1.135 5.073 93 2HO* G 9 2HO' G 9 -15.529 1.257 7.095 94 H1* G 9 H1' G 9 -14.933 -1.308 6.441 95 H8 G 9 H8 G 9 -14.343 -1.216 2.601 96 H1 G 9 H1 G 9 -9.044 -1.554 6.214 97 1H2 G 9 H21 G 9 -9.591 -1.464 8.367 98 2H2 G 9 H22 G 9 -11.227 -1.135 8.890 99 1H5* G 10 H5' G 10 -17.344 2.668 6.944 100 2H5* G 10 H5'' G 10 -17.142 4.423 6.771 101 H4* G 10 H4' G 10 -15.824 3.210 8.643 102 H3* G 10 H3' G 10 -14.515 5.138 6.658 103 H2* G 10 H2' G 10 -12.439 4.768 7.842 104 2HO* G 10 2HO' G 10 -14.009 3.384 9.788 105 H1* G 10 H1' G 10 -12.714 2.041 8.138 106 H8 G 10 H8 G 10 -14.018 3.331 4.761 107 H1 G 10 H1 G 10 -7.738 2.030 4.891 108 1H2 G 10 H21 G 10 -7.070 1.709 6.985 109 2H2 G 10 H22 G 10 -8.212 1.594 8.307 110 1H5* U 11 H5' U 11 -13.645 7.471 10.754 111 2H5* U 11 H5'' U 11 -13.279 9.038 10.003 112 H4* U 11 H4' U 11 -11.404 7.663 11.294 113 H3* U 11 H3' U 11 -11.005 9.171 8.660 114 H2* U 11 H2' U 11 -8.675 8.489 8.814 115 2HO* U 11 2HO' U 11 -9.191 8.613 11.410 116 H1* U 11 H1' U 11 -9.187 5.883 9.575 117 H3 U 11 H3 U 11 -7.746 5.798 5.213 118 H5 U 11 H5 U 11 -11.853 6.741 5.000 119 H6 U 11 H6 U 11 -11.849 6.970 7.418 120 1H5* C 12 H5' C 12 -8.688 11.883 11.642 121 2H5* C 12 H5'' C 12 -8.718 13.491 10.890 122 H4* C 12 H4' C 12 -6.446 12.257 11.081 123 H3* C 12 H3' C 12 -7.470 13.548 8.508 124 H2* C 12 H2' C 12 -5.443 12.818 7.422 125 2HO* C 12 2HO' C 12 -4.018 11.605 9.242 126 H1* C 12 H1' C 12 -5.343 10.297 8.542 127 1H4 C 12 H41 C 12 -8.283 9.699 2.927 128 2H4 C 12 H42 C 12 -9.837 9.812 3.722 129 H5 C 12 H5 C 12 -10.043 10.163 6.152 130 H6 C 12 H6 C 12 -8.811 10.703 8.193 131 1H5* U 13 H5' U 13 -4.046 16.671 8.872 132 2H5* U 13 H5'' U 13 -4.930 17.959 8.026 133 H4* U 13 H4' U 13 -2.877 16.820 6.858 134 H3* U 13 H3' U 13 -5.568 17.266 5.458 135 H2* U 13 H2' U 13 -4.429 16.441 3.462 136 2HO* U 13 2HO' U 13 -2.135 16.841 5.087 137 H1* U 13 H1' U 13 -3.200 14.317 4.753 138 H3 U 13 H3 U 13 -6.612 12.661 2.137 139 H5 U 13 H5 U 13 -8.411 13.731 5.801 140 H6 U 13 H6 U 13 -6.313 14.778 6.439 141 1H5* U 14 H5' U 14 -3.472 21.846 4.644 142 2H5* U 14 H5'' U 14 -5.038 22.636 4.393 143 H4* U 14 H4' U 14 -4.372 22.903 2.234 144 H3* U 14 H3' U 14 -5.743 20.572 2.050 145 H2* U 14 H2' U 14 -3.861 19.153 2.766 146 2HO* U 14 2HO' U 14 -3.348 18.036 0.895 147 H1* U 14 H1' U 14 -2.079 20.611 0.765 148 H3 U 14 H3 U 14 1.335 20.558 4.284 149 H5 U 14 H5 U 14 -0.359 16.747 3.652 150 H6 U 14 H6 U 14 -2.040 17.796 2.272 151 1H5* C 15 H5' C 15 -4.359 18.604 -1.148 152 2H5* C 15 H5'' C 15 -5.576 18.891 -2.408 153 H4* C 15 H4' C 15 -5.129 16.452 -1.655 154 H3* C 15 H3' C 15 -7.408 17.389 -2.822 155 H2* C 15 H2' C 15 -8.390 18.212 -0.707 156 2HO* C 15 2HO' C 15 -9.325 15.829 -1.738 157 H1* C 15 H1' C 15 -7.685 15.517 0.530 158 1H4 C 15 H41 C 15 -10.043 19.046 5.335 159 2H4 C 15 H42 C 15 -8.472 19.792 5.522 160 H5 C 15 H5 C 15 -6.670 19.491 3.871 161 H6 C 15 H6 C 15 -6.001 18.279 1.858 162 1H5* G 16 H5' G 16 -6.411 11.397 -2.587 163 2H5* G 16 H5'' G 16 -5.548 12.831 -1.993 164 H4* G 16 H4' G 16 -5.403 12.358 -4.925 165 H3* G 16 H3' G 16 -4.033 10.481 -2.923 166 H2* G 16 H2' G 16 -2.151 10.476 -4.467 167 2HO* G 16 2HO' G 16 -2.733 12.135 -6.360 168 H1* G 16 H1' G 16 -2.107 13.201 -4.785 169 H8 G 16 H8 G 16 -0.162 11.213 -3.348 170 H1 G 16 H1 G 16 -2.548 14.252 1.776 171 1H2 G 16 H21 G 16 -4.407 15.338 1.213 172 2H2 G 16 H22 G 16 -5.152 15.127 -0.354 173 1H5* G 17 H5' G 17 -1.775 7.773 -5.266 174 2H5* G 17 H5'' G 17 -2.132 6.321 -4.315 175 H4* G 17 H4' G 17 -0.325 8.197 -3.540 176 H3* G 17 H3' G 17 -2.109 6.391 -1.840 177 H2* G 17 H2' G 17 -1.321 7.522 0.139 178 2HO* G 17 2HO' G 17 0.751 7.983 0.053 179 H1* G 17 H1' G 17 -1.481 10.078 -0.819 180 H8 G 17 H8 G 17 -4.188 8.000 -2.397 181 H1 G 17 H1 G 17 -5.674 10.080 3.489 182 1H2 G 17 H21 G 17 -3.887 10.984 4.442 183 2H2 G 17 H22 G 17 -2.348 11.092 3.617 184 1H5* A 18 H5' A 18 1.306 6.124 -0.129 185 2H5* A 18 H5'' A 18 1.937 4.577 0.475 186 H4* A 18 H4' A 18 1.423 6.023 2.354 187 H3* A 18 H3' A 18 -0.578 3.730 2.004 188 H2* A 18 H2' A 18 -1.657 4.529 4.000 189 2HO* A 18 2HO' A 18 0.904 5.405 4.500 190 H1* A 18 H1' A 18 -1.286 7.261 3.501 191 H8 A 18 H8 A 18 -2.533 5.540 0.362 192 1H6 A 18 H61 A 18 -8.220 6.266 2.701 193 2H6 A 18 H62 A 18 -7.298 5.688 1.331 194 H2 A 18 H2 A 18 -5.277 7.239 5.922 195 1H5* C 19 H5' C 19 0.419 3.855 5.602 196 2H5* C 19 H5'' C 19 1.143 2.488 6.472 197 H4* C 19 H4' C 19 -0.670 3.089 7.829 198 H3* C 19 H3' C 19 -1.649 0.879 5.963 199 H2* C 19 H2' C 19 -3.753 1.049 7.144 200 2HO* C 19 2HO' C 19 -3.645 2.619 9.074 201 H1* C 19 H1' C 19 -3.740 3.837 7.406 202 1H4 C 19 H41 C 19 -7.496 2.608 2.395 203 2H4 C 19 H42 C 19 -6.110 2.309 1.371 204 H5 C 19 H5 C 19 -3.826 2.117 2.280 205 H6 C 19 H6 C 19 -2.460 2.389 4.283 206 1H5* C 20 H5' C 20 -1.310 -0.467 10.271 207 2H5* C 20 H5'' C 20 -0.926 -2.191 10.447 208 H4* C 20 H4' C 20 -2.979 -1.486 11.683 209 H3* C 20 H3' C 20 -3.225 -3.569 9.462 210 H2* C 20 H2' C 20 -5.584 -3.685 9.922 211 2HO* C 20 2HO' C 20 -4.930 -2.237 12.299 212 H1* C 20 H1' C 20 -6.000 -0.968 10.324 213 1H4 C 20 H41 C 20 -7.600 -2.106 4.268 214 2H4 C 20 H42 C 20 -5.943 -1.865 3.754 215 H5 C 20 H5 C 20 -4.138 -1.344 5.353 216 H6 C 20 H6 C 20 -3.568 -1.167 7.722 217 1H5* G 21 H5' G 21 -5.148 -5.085 12.463 218 2H5* G 21 H5'' G 21 -4.621 -6.633 13.156 219 H4* G 21 H4' G 21 -6.819 -7.163 12.689 220 H3* G 21 H3' G 21 -5.369 -7.655 10.036 221 H2* G 21 H2' G 21 -7.507 -8.226 9.103 222 2HO* G 21 2HO' G 21 -8.557 -9.519 10.442 223 H1* G 21 H1' G 21 -9.009 -6.316 10.514 224 H8 G 21 H8 G 21 -5.631 -5.686 8.649 225 H1 G 21 H1 G 21 -10.947 -3.911 5.518 226 1H2 G 21 H21 G 21 -12.740 -4.363 6.753 227 2H2 G 21 H22 G 21 -12.627 -5.280 8.239 228 1H5* G 22 H5' G 22 -6.879 -11.154 12.368 229 2H5* G 22 H5'' G 22 -5.932 -12.655 12.412 230 H4* G 22 H4' G 22 -8.192 -13.296 12.018 231 H3* G 22 H3' G 22 -6.536 -13.354 9.451 232 H2* G 22 H2' G 22 -8.517 -14.056 8.263 233 2HO* G 22 2HO' G 22 -10.407 -14.667 9.472 234 H1* G 22 H1' G 22 -10.291 -12.340 9.500 235 H8 G 22 H8 G 22 -6.961 -10.557 9.014 236 H1 G 22 H1 G 22 -10.669 -10.634 3.772 237 1H2 G 22 H21 G 22 -12.391 -12.003 4.080 238 2H2 G 22 H22 G 22 -12.628 -12.876 5.577 239 1H5* C 23 H5' C 23 -7.357 -17.853 9.322 240 2H5* C 23 H5'' C 23 -5.963 -18.298 8.316 241 H4* C 23 H4' C 23 -8.419 -18.307 7.315 242 H3* C 23 H3' C 23 -5.917 -17.256 5.895 243 H2* C 23 H2' C 23 -7.349 -16.748 4.011 244 2HO* C 23 2HO' C 23 -9.702 -17.487 4.392 245 H1* C 23 H1' C 23 -9.475 -15.755 5.483 246 1H4 C 23 H41 C 23 -6.030 -10.694 3.721 247 2H4 C 23 H42 C 23 -4.995 -10.873 5.120 248 H5 C 23 H5 C 23 -5.318 -12.684 6.764 249 H6 C 23 H6 C 23 -6.529 -14.751 7.226 250 1H5* U 24 H5' U 24 -6.605 -20.997 3.203 251 2H5* U 24 H5'' U 24 -4.938 -21.326 2.684 252 H4* U 24 H4' U 24 -6.655 -20.513 0.912 253 H3* U 24 H3' U 24 -3.865 -19.311 1.264 254 H2* U 24 H2' U 24 -4.377 -17.783 -0.534 255 2HO* U 24 2HO' U 24 -5.954 -18.197 -1.993 256 H1* U 24 H1' U 24 -6.946 -17.181 0.243 257 H3 U 24 H3 U 24 -4.043 -13.657 0.989 258 H5 U 24 H5 U 24 -4.049 -15.952 4.530 259 H6 U 24 H6 U 24 -5.309 -17.653 3.334 260 1H5* U 25 H5' U 25 -3.776 -20.564 -3.101 261 2H5* U 25 H5'' U 25 -2.178 -21.317 -3.270 262 H4* U 25 H4' U 25 -2.573 -19.426 -4.857 263 H3* U 25 H3' U 25 -0.305 -19.164 -2.818 264 H2* U 25 H2' U 25 0.215 -17.026 -3.820 265 2HO* U 25 2HO' U 25 -0.397 -16.529 -5.850 266 H1* U 25 H1' U 25 -2.392 -16.151 -4.090 267 H3 U 25 H3 U 25 -0.471 -13.726 -0.699 268 H5 U 25 H5 U 25 -1.666 -17.356 1.087 269 H6 U 25 H6 U 25 -2.185 -18.192 -1.135 270 1H5* C 26 H5' C 26 1.876 -18.440 -6.678 271 2H5* C 26 H5'' C 26 3.439 -19.236 -6.407 272 H4* C 26 H4' C 26 3.492 -16.721 -6.872 273 H3* C 26 H3' C 26 4.800 -17.898 -4.366 274 H2* C 26 H2' C 26 5.491 -15.668 -3.793 275 2HO* C 26 2HO' C 26 5.820 -15.473 -6.367 276 H1* C 26 H1' C 26 3.190 -14.343 -4.736 277 1H4 C 26 H41 C 26 2.612 -14.662 1.604 278 2H4 C 26 H42 C 26 1.999 -16.297 1.500 279 H5 C 26 H5 C 26 1.874 -17.526 -0.630 280 H6 C 26 H6 C 26 2.358 -17.412 -3.020 281 1H5* C 27 H5' C 27 8.626 -17.662 -3.290 282 2H5* C 27 H5'' C 27 6.982 -17.181 -2.826 283 H4* C 27 H4' C 27 9.004 -15.020 -3.295 284 H3* C 27 H3' C 27 8.927 -16.818 -0.828 285 H2* C 27 H2' C 27 9.430 -14.868 0.480 286 2HO* C 27 2HO' C 27 9.604 -12.861 -1.133 287 H1* C 27 H1' C 27 7.659 -13.205 -0.852 288 1H4 C 27 H41 C 27 4.650 -15.590 4.252 289 2H4 C 27 H42 C 27 3.928 -16.824 3.245 290 H5 C 27 H5 C 27 4.459 -17.041 0.848 291 H6 C 27 H6 C 27 5.887 -16.216 -0.952 292 H3T C 27 H3T C 27 11.155 -15.377 -1.684 Start of MODEL 2 1 1H5* G 1 H5' G 1 6.641 -14.987 11.551 2 2H5* G 1 H5'' G 1 6.006 -13.373 11.177 3 H4* G 1 H4' G 1 8.332 -13.793 10.322 4 H3* G 1 H3' G 1 6.111 -13.174 8.303 5 H2* G 1 H2' G 1 7.842 -13.230 6.596 6 2HO* G 1 2HO' G 1 9.891 -13.808 8.394 7 H1* G 1 H1' G 1 9.011 -15.545 7.457 8 H8 G 1 H8 G 1 5.312 -15.822 8.219 9 H1 G 1 H1 G 1 6.791 -17.151 2.117 10 1H2 G 1 H21 G 1 8.877 -16.529 1.683 11 2H2 G 1 H22 G 1 9.938 -15.915 2.933 12 H5T G 1 H5T G 1 5.106 -15.831 10.424 13 1H5* G 2 H5' G 2 9.345 -11.410 6.614 14 2H5* G 2 H5'' G 2 8.913 -9.717 6.308 15 H4* G 2 H4' G 2 9.638 -10.819 4.248 16 H3* G 2 H3' G 2 6.641 -10.171 4.316 17 H2* G 2 H2' G 2 6.588 -10.961 2.038 18 2HO* G 2 2HO' G 2 9.442 -10.822 2.130 19 H1* G 2 H1' G 2 8.478 -13.028 2.399 20 H8 G 2 H8 G 2 6.141 -13.594 5.186 21 H1 G 2 H1 G 2 3.468 -15.019 -0.469 22 1H2 G 2 H21 G 2 4.734 -14.242 -2.123 23 2H2 G 2 H22 G 2 6.115 -13.211 -1.820 24 1H5* A 3 H5' A 3 7.841 -8.920 0.995 25 2H5* A 3 H5'' A 3 7.779 -7.183 0.630 26 H4* A 3 H4' A 3 6.733 -8.071 -1.244 27 H3* A 3 H3' A 3 4.511 -7.604 0.810 28 H2* A 3 H2' A 3 2.970 -8.542 -0.772 29 2HO* A 3 2HO' A 3 3.308 -8.411 -2.911 30 H1* A 3 H1' A 3 4.713 -10.471 -1.857 31 H8 A 3 H8 A 3 4.431 -10.092 1.996 32 1H6 A 3 H61 A 3 0.242 -14.637 1.586 33 2H6 A 3 H62 A 3 1.062 -13.540 2.673 34 H2 A 3 H2 A 3 1.388 -13.443 -2.565 35 1H5* A 4 H5' A 4 3.641 -6.400 -3.405 36 2H5* A 4 H5'' A 4 2.488 -5.050 -3.408 37 H4* A 4 H4' A 4 1.815 -7.115 -4.743 38 H3* A 4 H3' A 4 0.000 -6.013 -2.538 39 H2* A 4 H2' A 4 -1.568 -7.748 -3.097 40 2HO* A 4 2HO' A 4 -0.158 -8.704 -5.301 41 H1* A 4 H1' A 4 0.312 -9.757 -3.603 42 H8 A 4 H8 A 4 0.874 -7.565 -0.471 43 1H6 A 4 H61 A 4 -2.429 -11.873 2.517 44 2H6 A 4 H62 A 4 -1.359 -10.502 2.707 45 H2 A 4 H2 A 4 -2.507 -12.855 -1.841 46 1H5* G 5 H5' G 5 -1.893 -7.031 -6.110 47 2H5* G 5 H5'' G 5 -3.224 -5.971 -6.619 48 H4* G 5 H4' G 5 -3.798 -8.432 -6.420 49 H3* G 5 H3' G 5 -5.348 -6.330 -4.835 50 H2* G 5 H2' G 5 -6.658 -8.084 -3.872 51 2HO* G 5 2HO' G 5 -6.966 -10.009 -4.908 52 H1* G 5 H1' G 5 -4.636 -10.052 -3.765 53 H8 G 5 H8 G 5 -3.508 -6.693 -2.368 54 H1 G 5 H1 G 5 -6.746 -10.335 1.810 55 1H2 G 5 H21 G 5 -7.715 -12.030 0.745 56 2H2 G 5 H22 G 5 -7.389 -12.364 -0.942 57 1H5* U 6 H5' U 6 -8.372 -8.747 -5.365 58 2H5* U 6 H5'' U 6 -9.642 -7.835 -6.207 59 H4* U 6 H4' U 6 -10.559 -8.534 -4.108 60 H3* U 6 H3' U 6 -9.732 -5.592 -4.076 61 H2* U 6 H2' U 6 -10.381 -5.485 -1.786 62 2HO* U 6 2HO' U 6 -12.225 -6.366 -1.231 63 H1* U 6 H1' U 6 -9.957 -8.272 -1.179 64 H3 U 6 H3 U 6 -7.404 -6.420 2.088 65 H5 U 6 H5 U 6 -5.663 -4.946 -1.460 66 H6 U 6 H6 U 6 -7.452 -6.027 -2.699 67 1H5* U 7 H5' U 7 -11.785 -2.233 -5.632 68 2H5* U 7 H5'' U 7 -10.501 -3.400 -6.003 69 H4* U 7 H4' U 7 -11.191 -3.940 -3.340 70 H3* U 7 H3' U 7 -11.253 -0.933 -3.808 71 H2* U 7 H2' U 7 -9.629 -0.587 -2.134 72 2HO* U 7 2HO' U 7 -10.469 -1.335 -0.334 73 H1* U 7 H1' U 7 -8.519 -3.262 -2.056 74 H3 U 7 H3 U 7 -6.699 0.178 -5.670 75 H5 U 7 H5 U 7 -4.607 -0.799 -2.140 76 H6 U 7 H6 U 7 -6.519 -2.138 -1.466 77 1H5* C 8 H5' C 8 -12.785 -4.045 -1.682 78 2H5* C 8 H5'' C 8 -14.214 -5.090 -1.782 79 H4* C 8 H4' C 8 -15.059 -4.297 0.294 80 H3* C 8 H3' C 8 -12.948 -2.085 0.106 81 H2* C 8 H2' C 8 -12.857 -2.137 2.509 82 2HO* C 8 2HO' C 8 -14.690 -3.812 3.307 83 H1* C 8 H1' C 8 -13.164 -4.908 2.791 84 1H4 C 8 H41 C 8 -6.938 -3.765 3.572 85 2H4 C 8 H42 C 8 -6.708 -3.574 1.848 86 H5 C 8 H5 C 8 -8.596 -3.496 0.272 87 H6 C 8 H6 C 8 -11.013 -3.718 0.054 88 1H5* G 9 H5' G 9 -16.830 -0.382 2.261 89 2H5* G 9 H5'' G 9 -16.567 1.363 2.463 90 H4* G 9 H4' G 9 -16.767 -0.233 4.571 91 H3* G 9 H3' G 9 -14.771 2.062 4.238 92 H2* G 9 H2' G 9 -13.920 1.504 6.432 93 2HO* G 9 2HO' G 9 -15.908 -0.469 6.800 94 H1* G 9 H1' G 9 -13.943 -1.240 6.102 95 H8 G 9 H8 G 9 -12.845 0.139 2.783 96 H1 G 9 H1 G 9 -8.234 0.370 7.246 97 1H2 G 9 H21 G 9 -9.084 -0.133 9.239 98 2H2 G 9 H22 G 9 -10.805 -0.326 9.485 99 1H5* G 10 H5' G 10 -16.944 3.730 7.984 100 2H5* G 10 H5'' G 10 -16.398 5.416 7.864 101 H4* G 10 H4' G 10 -15.469 3.803 9.764 102 H3* G 10 H3' G 10 -13.845 5.841 8.160 103 H2* G 10 H2' G 10 -11.903 5.136 9.422 104 2HO* G 10 2HO' G 10 -13.791 4.592 11.257 105 H1* G 10 H1' G 10 -12.396 2.431 9.281 106 H8 G 10 H8 G 10 -13.510 3.766 5.962 107 H1 G 10 H1 G 10 -7.128 3.458 6.511 108 1H2 G 10 H21 G 10 -6.559 3.209 8.642 109 2H2 G 10 H22 G 10 -7.754 2.886 9.879 110 1H5* U 11 H5' U 11 -13.501 8.317 12.175 111 2H5* U 11 H5'' U 11 -13.374 9.893 11.370 112 H4* U 11 H4' U 11 -11.305 8.913 12.659 113 H3* U 11 H3' U 11 -11.130 10.175 9.883 114 H2* U 11 H2' U 11 -8.727 9.822 10.096 115 2HO* U 11 2HO' U 11 -7.795 9.351 12.074 116 H1* U 11 H1' U 11 -8.904 7.279 11.181 117 H3 U 11 H3 U 11 -7.255 7.165 6.862 118 H5 U 11 H5 U 11 -11.449 6.817 6.541 119 H6 U 11 H6 U 11 -11.601 7.375 8.901 120 1H5* C 12 H5' C 12 -8.825 12.357 12.058 121 2H5* C 12 H5'' C 12 -9.051 14.086 12.406 122 H4* C 12 H4' C 12 -6.967 14.140 11.387 123 H3* C 12 H3' C 12 -9.003 14.308 9.113 124 H2* C 12 H2' C 12 -7.158 14.337 7.572 125 2HO* C 12 2HO' C 12 -5.111 14.918 8.213 126 H1* C 12 H1' C 12 -5.547 12.517 8.976 127 1H4 C 12 H41 C 12 -8.214 9.303 4.167 128 2H4 C 12 H42 C 12 -9.713 9.117 5.056 129 H5 C 12 H5 C 12 -10.148 10.342 7.164 130 H6 C 12 H6 C 12 -9.136 11.734 8.897 131 1H5* U 13 H5' U 13 -6.749 17.176 7.159 132 2H5* U 13 H5'' U 13 -8.070 18.074 6.385 133 H4* U 13 H4' U 13 -6.607 16.465 4.939 134 H3* U 13 H3' U 13 -9.664 16.552 4.863 135 H2* U 13 H2' U 13 -9.598 14.776 3.225 136 2HO* U 13 2HO' U 13 -6.897 14.468 3.009 137 H1* U 13 H1' U 13 -7.644 13.252 4.443 138 H3 U 13 H3 U 13 -11.633 11.060 5.100 139 H5 U 13 H5 U 13 -11.489 14.024 8.097 140 H6 U 13 H6 U 13 -9.527 14.943 6.988 141 1H5* U 14 H5' U 14 -11.594 17.830 1.604 142 2H5* U 14 H5'' U 14 -9.996 17.091 1.802 143 H4* U 14 H4' U 14 -10.602 19.691 0.353 144 H3* U 14 H3' U 14 -10.941 17.209 -0.805 145 H2* U 14 H2' U 14 -8.673 16.413 -0.363 146 2HO* U 14 2HO' U 14 -9.268 16.805 -2.768 147 H1* U 14 H1' U 14 -7.617 19.149 -1.196 148 H3 U 14 H3 U 14 -3.390 17.919 -0.110 149 H5 U 14 H5 U 14 -5.721 15.923 2.788 150 H6 U 14 H6 U 14 -7.693 16.840 1.725 151 1H5* C 15 H5' C 15 -11.812 15.610 -4.275 152 2H5* C 15 H5'' C 15 -11.773 15.841 -2.517 153 H4* C 15 H4' C 15 -9.244 14.837 -3.687 154 H3* C 15 H3' C 15 -11.300 13.396 -4.789 155 H2* C 15 H2' C 15 -12.474 13.085 -2.629 156 2HO* C 15 2HO' C 15 -11.809 10.840 -2.045 157 H1* C 15 H1' C 15 -9.805 12.246 -1.440 158 1H4 C 15 H41 C 15 -14.214 12.331 3.266 159 2H4 C 15 H42 C 15 -13.826 14.018 3.520 160 H5 C 15 H5 C 15 -12.302 15.255 2.025 161 H6 C 15 H6 C 15 -10.886 15.085 0.063 162 1H5* G 16 H5' G 16 -7.856 8.612 -3.938 163 2H5* G 16 H5'' G 16 -7.842 9.254 -2.284 164 H4* G 16 H4' G 16 -7.002 10.728 -4.806 165 H3* G 16 H3' G 16 -5.401 9.679 -2.414 166 H2* G 16 H2' G 16 -3.875 11.508 -2.876 167 2HO* G 16 2HO' G 16 -4.641 11.086 -5.348 168 H1* G 16 H1' G 16 -5.874 13.381 -3.333 169 H8 G 16 H8 G 16 -3.616 13.451 -1.330 170 H1 G 16 H1 G 16 -8.315 11.816 2.710 171 1H2 G 16 H21 G 16 -10.046 11.008 1.579 172 2H2 G 16 H22 G 16 -9.973 10.733 -0.148 173 1H5* G 17 H5' G 17 -0.902 8.483 -4.108 174 2H5* G 17 H5'' G 17 -1.250 7.050 -3.127 175 H4* G 17 H4' G 17 0.105 9.252 -2.208 176 H3* G 17 H3' G 17 -1.650 7.297 -0.619 177 H2* G 17 H2' G 17 -1.071 8.637 1.333 178 2HO* G 17 2HO' G 17 0.678 10.081 -0.409 179 H1* G 17 H1' G 17 -1.576 11.054 0.136 180 H8 G 17 H8 G 17 -3.843 8.328 -1.242 181 H1 G 17 H1 G 17 -5.859 10.750 4.341 182 1H2 G 17 H21 G 17 -4.341 12.141 5.154 183 2H2 G 17 H22 G 17 -2.768 12.334 4.411 184 1H5* A 18 H5' A 18 2.199 6.569 1.711 185 2H5* A 18 H5'' A 18 1.769 5.047 2.517 186 H4* A 18 H4' A 18 1.869 7.357 3.855 187 H3* A 18 H3' A 18 -0.237 5.158 4.224 188 H2* A 18 H2' A 18 -1.169 6.551 5.970 189 2HO* A 18 2HO' A 18 0.580 8.625 5.933 190 H1* A 18 H1' A 18 -0.872 8.965 4.616 191 H8 A 18 H8 A 18 -2.073 6.637 1.970 192 1H6 A 18 H61 A 18 -7.746 7.188 4.385 193 2H6 A 18 H62 A 18 -6.804 6.493 3.086 194 H2 A 18 H2 A 18 -4.840 8.910 7.311 195 1H5* C 19 H5' C 19 0.631 5.765 7.926 196 2H5* C 19 H5'' C 19 1.308 4.365 8.782 197 H4* C 19 H4' C 19 -0.546 4.965 10.087 198 H3* C 19 H3' C 19 -1.432 2.771 8.152 199 H2* C 19 H2' C 19 -3.617 2.932 9.169 200 2HO* C 19 2HO' C 19 -3.772 3.398 11.232 201 H1* C 19 H1' C 19 -3.666 5.700 9.420 202 1H4 C 19 H41 C 19 -6.840 4.400 4.041 203 2H4 C 19 H42 C 19 -5.343 4.240 3.147 204 H5 C 19 H5 C 19 -3.147 4.159 4.275 205 H6 C 19 H6 C 19 -2.007 4.427 6.417 206 1H5* C 20 H5' C 20 -1.092 0.548 12.413 207 2H5* C 20 H5'' C 20 -0.796 -1.139 11.945 208 H4* C 20 H4' C 20 -2.915 -0.647 13.311 209 H3* C 20 H3' C 20 -2.984 -2.188 10.671 210 H2* C 20 H2' C 20 -5.373 -2.407 10.955 211 2HO* C 20 2HO' C 20 -6.357 -1.983 12.931 212 H1* C 20 H1' C 20 -5.847 0.180 11.793 213 1H4 C 20 H41 C 20 -6.642 -0.034 5.452 214 2H4 C 20 H42 C 20 -5.026 0.599 5.236 215 H5 C 20 H5 C 20 -3.466 0.900 7.117 216 H6 C 20 H6 C 20 -3.194 0.668 9.530 217 1H5* G 21 H5' G 21 -5.155 -3.971 13.158 218 2H5* G 21 H5'' G 21 -5.064 -5.708 13.515 219 H4* G 21 H4' G 21 -7.293 -5.353 12.831 220 H3* G 21 H3' G 21 -5.696 -6.342 10.413 221 H2* G 21 H2' G 21 -7.800 -6.302 9.221 222 2HO* G 21 2HO' G 21 -9.176 -5.705 11.629 223 H1* G 21 H1' G 21 -8.732 -3.925 10.333 224 H8 G 21 H8 G 21 -5.009 -4.036 9.321 225 H1 G 21 H1 G 21 -9.046 -2.373 4.616 226 1H2 G 21 H21 G 21 -11.145 -2.604 5.301 227 2H2 G 21 H22 G 21 -11.538 -3.134 6.921 228 1H5* G 22 H5' G 22 -8.220 -9.939 12.273 229 2H5* G 22 H5'' G 22 -7.471 -11.472 11.781 230 H4* G 22 H4' G 22 -9.894 -11.188 11.113 231 H3* G 22 H3' G 22 -7.755 -11.689 8.985 232 H2* G 22 H2' G 22 -9.511 -11.638 7.326 233 2HO* G 22 2HO' G 22 -11.448 -12.323 7.847 234 H1* G 22 H1' G 22 -10.880 -9.472 8.352 235 H8 G 22 H8 G 22 -7.307 -8.534 8.892 236 H1 G 22 H1 G 22 -9.049 -8.177 2.719 237 1H2 G 22 H21 G 22 -11.039 -9.121 2.438 238 2H2 G 22 H22 G 22 -11.852 -9.968 3.735 239 1H5* C 23 H5' C 23 -10.117 -15.453 8.395 240 2H5* C 23 H5'' C 23 -8.928 -16.603 7.751 241 H4* C 23 H4' C 23 -10.776 -15.689 6.164 242 H3* C 23 H3' C 23 -7.801 -15.762 5.446 243 H2* C 23 H2' C 23 -8.380 -14.787 3.321 244 2HO* C 23 2HO' C 23 -10.126 -16.182 2.877 245 H1* C 23 H1' C 23 -10.384 -13.080 4.250 246 1H4 C 23 H41 C 23 -5.188 -9.481 3.485 247 2H4 C 23 H42 C 23 -4.611 -9.920 5.078 248 H5 C 23 H5 C 23 -5.862 -11.459 6.546 249 H6 C 23 H6 C 23 -7.744 -13.005 6.653 250 1H5* U 24 H5' U 24 -9.316 -18.670 2.391 251 2H5* U 24 H5'' U 24 -8.110 -19.972 2.343 252 H4* U 24 H4' U 24 -8.350 -18.657 0.199 253 H3* U 24 H3' U 24 -5.648 -18.787 1.625 254 H2* U 24 H2' U 24 -4.735 -17.403 -0.104 255 2HO* U 24 2HO' U 24 -5.371 -17.761 -2.087 256 H1* U 24 H1' U 24 -6.995 -15.790 -0.519 257 H3 U 24 H3 U 24 -3.487 -13.213 0.986 258 H5 U 24 H5 U 24 -5.287 -14.823 4.447 259 H6 U 24 H6 U 24 -6.626 -16.244 2.999 260 1H5* U 25 H5' U 25 -5.422 -20.749 -2.640 261 2H5* U 25 H5'' U 25 -3.858 -21.576 -2.795 262 H4* U 25 H4' U 25 -4.462 -19.500 -4.337 263 H3* U 25 H3' U 25 -1.756 -20.069 -3.033 264 H2* U 25 H2' U 25 -0.943 -18.008 -3.993 265 2HO* U 25 2HO' U 25 -2.069 -18.465 -6.043 266 H1* U 25 H1' U 25 -3.172 -16.472 -3.449 267 H3 U 25 H3 U 25 0.282 -15.261 -0.646 268 H5 U 25 H5 U 25 -1.694 -18.451 1.284 269 H6 U 25 H6 U 25 -2.971 -18.792 -0.755 270 1H5* C 26 H5' C 26 -0.222 -19.278 -7.275 271 2H5* C 26 H5'' C 26 0.991 -20.573 -7.325 272 H4* C 26 H4' C 26 1.820 -18.146 -7.564 273 H3* C 26 H3' C 26 3.006 -20.088 -5.519 274 H2* C 26 H2' C 26 4.484 -18.337 -4.819 275 2HO* C 26 2HO' C 26 4.803 -17.861 -7.225 276 H1* C 26 H1' C 26 2.686 -16.188 -5.181 277 1H4 C 26 H41 C 26 2.877 -17.224 1.098 278 2H4 C 26 H42 C 26 1.834 -18.621 0.946 279 H5 C 26 H5 C 26 0.962 -19.376 -1.232 280 H6 C 26 H6 C 26 1.110 -19.059 -3.647 281 1H5* C 27 H5' C 27 7.590 -20.890 -6.022 282 2H5* C 27 H5'' C 27 6.470 -20.778 -4.648 283 H4* C 27 H4' C 27 8.504 -18.690 -5.509 284 H3* C 27 H3' C 27 8.333 -20.574 -3.115 285 H2* C 27 H2' C 27 9.418 -18.880 -1.805 286 2HO* C 27 2HO' C 27 9.882 -17.637 -4.336 287 H1* C 27 H1' C 27 7.908 -16.786 -2.775 288 1H4 C 27 H41 C 27 4.925 -18.892 2.451 289 2H4 C 27 H42 C 27 3.963 -19.984 1.481 290 H5 C 27 H5 C 27 4.244 -20.163 -0.961 291 H6 C 27 H6 C 27 5.631 -19.491 -2.853 292 H3T C 27 H3T C 27 10.669 -19.554 -4.302 Start of MODEL 3 1 1H5* G 1 H5' G 1 11.225 -14.508 9.389 2 2H5* G 1 H5'' G 1 9.869 -14.094 10.458 3 H4* G 1 H4' G 1 10.077 -12.640 8.413 4 H3* G 1 H3' G 1 7.525 -14.226 8.929 5 H2* G 1 H2' G 1 6.642 -13.497 6.849 6 2HO* G 1 2HO' G 1 8.641 -11.563 6.449 7 H1* G 1 H1' G 1 9.047 -13.312 5.400 8 H8 G 1 H8 G 1 6.713 -15.807 7.220 9 H1 G 1 H1 G 1 8.977 -17.788 1.547 10 1H2 G 1 H21 G 1 10.537 -16.381 0.822 11 2H2 G 1 H22 G 1 10.872 -14.872 1.643 12 H5T G 1 H5T G 1 8.854 -15.891 9.913 13 1H5* G 2 H5' G 2 7.559 -9.199 8.876 14 2H5* G 2 H5'' G 2 5.869 -8.653 8.931 15 H4* G 2 H4' G 2 7.469 -7.733 7.064 16 H3* G 2 H3' G 2 4.600 -8.683 6.655 17 H2* G 2 H2' G 2 4.838 -8.347 4.283 18 2HO* G 2 2HO' G 2 6.821 -7.268 3.524 19 H1* G 2 H1' G 2 7.375 -9.383 4.004 20 H8 G 2 H8 G 2 5.636 -11.452 6.627 21 H1 G 2 H1 G 2 3.836 -12.928 0.645 22 1H2 G 2 H21 G 2 4.684 -11.457 -0.788 23 2H2 G 2 H22 G 2 5.508 -10.012 -0.245 24 1H5* A 3 H5' A 3 5.303 -5.306 4.259 25 2H5* A 3 H5'' A 3 3.830 -4.360 3.970 26 H4* A 3 H4' A 3 4.954 -5.555 1.957 27 H3* A 3 H3' A 3 1.964 -5.747 2.582 28 H2* A 3 H2' A 3 1.733 -7.161 0.652 29 2HO* A 3 2HO' A 3 3.192 -7.130 -0.997 30 H1* A 3 H1' A 3 4.116 -8.579 0.962 31 H8 A 3 H8 A 3 2.505 -8.270 4.359 32 1H6 A 3 H61 A 3 -0.977 -13.140 2.760 33 2H6 A 3 H62 A 3 -0.595 -12.013 4.042 34 H2 A 3 H2 A 3 1.125 -11.688 -0.906 35 1H5* A 4 H5' A 4 2.254 -5.413 -1.263 36 2H5* A 4 H5'' A 4 1.531 -3.960 -1.980 37 H4* A 4 H4' A 4 0.682 -5.704 -3.298 38 H3* A 4 H3' A 4 -1.358 -5.054 -1.114 39 H2* A 4 H2' A 4 -2.745 -6.814 -1.984 40 2HO* A 4 2HO' A 4 -1.427 -6.114 -4.280 41 H1* A 4 H1' A 4 -0.697 -8.612 -2.600 42 H8 A 4 H8 A 4 -0.548 -6.699 0.769 43 1H6 A 4 H61 A 4 -3.299 -11.728 3.120 44 2H6 A 4 H62 A 4 -2.687 -10.130 3.484 45 H2 A 4 H2 A 4 -3.122 -12.201 -1.318 46 1H5* G 5 H5' G 5 -3.089 -5.892 -5.261 47 2H5* G 5 H5'' G 5 -4.561 -4.906 -5.365 48 H4* G 5 H4' G 5 -4.770 -7.463 -5.720 49 H3* G 5 H3' G 5 -6.551 -5.860 -3.825 50 H2* G 5 H2' G 5 -7.637 -7.891 -3.179 51 2HO* G 5 2HO' G 5 -7.315 -8.442 -5.717 52 H1* G 5 H1' G 5 -5.401 -9.592 -3.327 53 H8 G 5 H8 G 5 -4.963 -6.210 -1.524 54 H1 G 5 H1 G 5 -6.869 -11.066 2.214 55 1H2 G 5 H21 G 5 -7.432 -12.812 0.964 56 2H2 G 5 H22 G 5 -7.135 -12.844 -0.761 57 1H5* U 6 H5' U 6 -9.164 -8.854 -4.808 58 2H5* U 6 H5'' U 6 -10.501 -8.017 -5.623 59 H4* U 6 H4' U 6 -11.413 -9.243 -3.757 60 H3* U 6 H3' U 6 -11.235 -6.233 -3.260 61 H2* U 6 H2' U 6 -12.067 -6.579 -1.059 62 2HO* U 6 2HO' U 6 -13.900 -7.763 -1.873 63 H1* U 6 H1' U 6 -11.077 -9.257 -0.720 64 H3 U 6 H3 U 6 -9.198 -7.268 2.908 65 H5 U 6 H5 U 6 -7.509 -5.177 -0.343 66 H6 U 6 H6 U 6 -8.973 -6.435 -1.818 67 1H5* U 7 H5' U 7 -14.338 -3.547 -4.980 68 2H5* U 7 H5'' U 7 -12.766 -4.015 -5.659 69 H4* U 7 H4' U 7 -13.353 -4.988 -2.907 70 H3* U 7 H3' U 7 -13.085 -2.025 -3.527 71 H2* U 7 H2' U 7 -11.378 -1.768 -1.887 72 2HO* U 7 2HO' U 7 -11.602 -2.770 -0.038 73 H1* U 7 H1' U 7 -10.161 -4.286 -2.077 74 H3 U 7 H3 U 7 -9.763 -1.112 -6.328 75 H5 U 7 H5 U 7 -6.646 -1.667 -3.539 76 H6 U 7 H6 U 7 -8.163 -3.042 -2.228 77 1H5* C 8 H5' C 8 -14.616 -4.716 -0.965 78 2H5* C 8 H5'' C 8 -16.034 -5.783 -0.957 79 H4* C 8 H4' C 8 -16.906 -4.765 1.017 80 H3* C 8 H3' C 8 -14.763 -2.607 0.629 81 H2* C 8 H2' C 8 -14.725 -2.402 3.029 82 2HO* C 8 2HO' C 8 -16.991 -4.113 3.194 83 H1* C 8 H1' C 8 -15.004 -5.138 3.580 84 1H4 C 8 H41 C 8 -8.791 -3.841 4.190 85 2H4 C 8 H42 C 8 -8.570 -3.852 2.455 86 H5 C 8 H5 C 8 -10.444 -4.169 0.890 87 H6 C 8 H6 C 8 -12.859 -4.450 0.716 88 1H5* G 9 H5' G 9 -17.424 -1.771 3.600 89 2H5* G 9 H5'' G 9 -18.245 -0.209 3.406 90 H4* G 9 H4' G 9 -17.540 -0.340 5.685 91 H3* G 9 H3' G 9 -15.649 1.432 4.048 92 H2* G 9 H2' G 9 -14.459 1.846 6.106 93 2HO* G 9 2HO' G 9 -16.773 0.700 7.321 94 H1* G 9 H1' G 9 -14.586 -0.754 7.076 95 H8 G 9 H8 G 9 -13.900 -0.251 3.292 96 H1 G 9 H1 G 9 -8.682 -0.613 7.015 97 1H2 G 9 H21 G 9 -9.276 -0.603 9.156 98 2H2 G 9 H22 G 9 -10.953 -0.656 9.650 99 1H5* G 10 H5' G 10 -17.024 3.878 7.740 100 2H5* G 10 H5'' G 10 -16.411 5.504 7.375 101 H4* G 10 H4' G 10 -15.365 4.020 9.338 102 H3* G 10 H3' G 10 -13.796 5.806 7.399 103 H2* G 10 H2' G 10 -11.821 5.154 8.655 104 2HO* G 10 2HO' G 10 -12.502 3.536 10.505 105 H1* G 10 H1' G 10 -12.436 2.474 8.763 106 H8 G 10 H8 G 10 -13.619 3.913 5.443 107 H1 G 10 H1 G 10 -7.378 2.477 5.573 108 1H2 G 10 H21 G 10 -6.700 2.183 7.661 109 2H2 G 10 H22 G 10 -7.840 2.079 8.988 110 1H5* U 11 H5' U 11 -12.260 6.597 11.119 111 2H5* U 11 H5'' U 11 -12.365 8.326 11.501 112 H4* U 11 H4' U 11 -10.118 7.633 11.940 113 H3* U 11 H3' U 11 -10.244 9.131 9.279 114 H2* U 11 H2' U 11 -7.810 8.917 9.308 115 2HO* U 11 2HO' U 11 -7.252 9.364 11.373 116 H1* U 11 H1' U 11 -7.782 6.281 10.182 117 H3 U 11 H3 U 11 -6.459 6.108 5.805 118 H5 U 11 H5 U 11 -10.645 6.636 5.631 119 H6 U 11 H6 U 11 -10.620 7.005 8.030 120 1H5* C 12 H5' C 12 -7.946 11.198 11.562 121 2H5* C 12 H5'' C 12 -8.148 12.901 12.026 122 H4* C 12 H4' C 12 -6.072 12.922 10.957 123 H3* C 12 H3' C 12 -8.178 13.502 8.813 124 H2* C 12 H2' C 12 -6.369 13.665 7.237 125 2HO* C 12 2HO' C 12 -4.130 13.513 8.399 126 H1* C 12 H1' C 12 -4.798 11.608 8.358 127 1H4 C 12 H41 C 12 -7.560 9.207 3.147 128 2H4 C 12 H42 C 12 -9.013 8.828 4.048 129 H5 C 12 H5 C 12 -9.381 9.642 6.353 130 H6 C 12 H6 C 12 -8.357 10.815 8.237 131 1H5* U 13 H5' U 13 -6.358 17.258 7.631 132 2H5* U 13 H5'' U 13 -7.846 17.898 6.903 133 H4* U 13 H4' U 13 -5.903 16.861 5.397 134 H3* U 13 H3' U 13 -8.908 16.400 4.966 135 H2* U 13 H2' U 13 -8.207 15.183 2.953 136 2HO* U 13 2HO' U 13 -5.929 15.145 2.475 137 H1* U 13 H1' U 13 -6.276 13.722 4.235 138 H3 U 13 H3 U 13 -10.001 11.047 3.659 139 H5 U 13 H5 U 13 -10.611 13.093 7.297 140 H6 U 13 H6 U 13 -8.667 14.454 6.769 141 1H5* U 14 H5' U 14 -6.961 20.077 1.701 142 2H5* U 14 H5'' U 14 -8.523 20.369 0.919 143 H4* U 14 H4' U 14 -7.181 20.358 -0.954 144 H3* U 14 H3' U 14 -8.576 18.024 -0.979 145 H2* U 14 H2' U 14 -6.957 16.793 0.392 146 2HO* U 14 2HO' U 14 -5.697 15.591 -1.314 147 H1* U 14 H1' U 14 -4.713 17.845 -1.388 148 H3 U 14 H3 U 14 -2.254 18.475 2.829 149 H5 U 14 H5 U 14 -3.997 14.644 2.569 150 H6 U 14 H6 U 14 -5.142 15.372 0.580 151 1H5* C 15 H5' C 15 -6.493 15.181 -3.401 152 2H5* C 15 H5'' C 15 -7.534 15.320 -4.832 153 H4* C 15 H4' C 15 -7.388 13.040 -3.544 154 H3* C 15 H3' C 15 -9.367 13.914 -5.258 155 H2* C 15 H2' C 15 -10.717 15.009 -3.536 156 2HO* C 15 2HO' C 15 -11.794 12.505 -3.013 157 H1* C 15 H1' C 15 -10.256 12.608 -1.722 158 1H4 C 15 H41 C 15 -13.217 16.797 2.075 159 2H4 C 15 H42 C 15 -11.767 17.773 2.147 160 H5 C 15 H5 C 15 -9.739 17.214 0.864 161 H6 C 15 H6 C 15 -8.808 15.700 -0.811 162 1H5* G 16 H5' G 16 -6.908 8.902 -3.531 163 2H5* G 16 H5'' G 16 -7.368 10.537 -3.016 164 H4* G 16 H4' G 16 -5.956 10.450 -5.609 165 H3* G 16 H3' G 16 -4.517 9.565 -3.052 166 H2* G 16 H2' G 16 -2.597 10.789 -3.906 167 2HO* G 16 2HO' G 16 -4.050 11.448 -6.252 168 H1* G 16 H1' G 16 -4.029 13.034 -4.587 169 H8 G 16 H8 G 16 -1.838 12.783 -2.559 170 H1 G 16 H1 G 16 -6.729 12.550 1.580 171 1H2 G 16 H21 G 16 -8.626 12.142 0.497 172 2H2 G 16 H22 G 16 -8.647 11.759 -1.209 173 1H5* G 17 H5' G 17 0.112 9.183 -4.827 174 2H5* G 17 H5'' G 17 -0.335 7.486 -4.554 175 H4* G 17 H4' G 17 1.096 8.904 -2.766 176 H3* G 17 H3' G 17 -1.032 6.788 -2.149 177 H2* G 17 H2' G 17 -0.603 7.227 0.192 178 2HO* G 17 2HO' G 17 1.628 8.778 -0.693 179 H1* G 17 H1' G 17 -0.417 9.989 -0.024 180 H8 G 17 H8 G 17 -3.055 7.901 -1.987 181 H1 G 17 H1 G 17 -5.157 10.610 3.434 182 1H2 G 17 H21 G 17 -3.475 11.560 4.509 183 2H2 G 17 H22 G 17 -1.881 11.700 3.800 184 1H5* A 18 H5' A 18 1.977 6.691 0.628 185 2H5* A 18 H5'' A 18 2.654 5.056 0.768 186 H4* A 18 H4' A 18 2.143 5.756 2.984 187 H3* A 18 H3' A 18 -0.059 3.908 1.923 188 H2* A 18 H2' A 18 -1.115 4.130 4.068 189 2HO* A 18 2HO' A 18 0.456 5.488 5.612 190 H1* A 18 H1' A 18 -0.440 6.829 4.490 191 H8 A 18 H8 A 18 -1.925 5.570 1.113 192 1H6 A 18 H61 A 18 -7.353 7.404 3.453 193 2H6 A 18 H62 A 18 -6.517 6.889 2.006 194 H2 A 18 H2 A 18 -4.233 7.976 6.607 195 1H5* C 19 H5' C 19 1.431 2.870 6.274 196 2H5* C 19 H5'' C 19 0.971 1.162 6.417 197 H4* C 19 H4' C 19 -0.029 2.979 8.070 198 H3* C 19 H3' C 19 -1.616 0.703 6.780 199 H2* C 19 H2' C 19 -3.522 1.524 8.033 200 2HO* C 19 2HO' C 19 -1.516 2.419 9.661 201 H1* C 19 H1' C 19 -3.038 4.223 7.600 202 1H4 C 19 H41 C 19 -7.180 2.505 3.074 203 2H4 C 19 H42 C 19 -5.876 1.953 2.043 204 H5 C 19 H5 C 19 -3.562 1.710 2.877 205 H6 C 19 H6 C 19 -2.080 2.145 4.767 206 1H5* C 20 H5' C 20 -1.162 -0.588 11.296 207 2H5* C 20 H5'' C 20 -1.065 -2.360 11.250 208 H4* C 20 H4' C 20 -2.989 -1.407 12.594 209 H3* C 20 H3' C 20 -3.496 -3.335 10.278 210 H2* C 20 H2' C 20 -5.859 -3.162 10.737 211 2HO* C 20 2HO' C 20 -4.887 -2.216 13.211 212 H1* C 20 H1' C 20 -5.928 -0.435 11.173 213 1H4 C 20 H41 C 20 -7.357 -1.377 5.028 214 2H4 C 20 H42 C 20 -5.673 -1.186 4.594 215 H5 C 20 H5 C 20 -3.923 -0.777 6.282 216 H6 C 20 H6 C 20 -3.451 -0.701 8.675 217 1H5* G 21 H5' G 21 -5.636 -4.899 13.186 218 2H5* G 21 H5'' G 21 -5.286 -6.575 13.656 219 H4* G 21 H4' G 21 -7.544 -6.706 13.114 220 H3* G 21 H3' G 21 -6.024 -7.292 10.524 221 H2* G 21 H2' G 21 -8.161 -7.501 9.445 222 2HO* G 21 2HO' G 21 -9.174 -7.710 12.108 223 H1* G 21 H1' G 21 -9.471 -5.472 10.877 224 H8 G 21 H8 G 21 -5.922 -5.033 9.331 225 H1 G 21 H1 G 21 -10.815 -2.944 5.738 226 1H2 G 21 H21 G 21 -12.744 -3.418 6.734 227 2H2 G 21 H22 G 21 -12.814 -4.311 8.237 228 1H5* G 22 H5' G 22 -7.767 -11.456 12.444 229 2H5* G 22 H5'' G 22 -6.983 -12.771 11.544 230 H4* G 22 H4' G 22 -9.569 -12.678 11.570 231 H3* G 22 H3' G 22 -7.898 -12.999 9.035 232 H2* G 22 H2' G 22 -9.927 -12.977 7.736 233 2HO* G 22 2HO' G 22 -10.918 -14.286 9.658 234 H1* G 22 H1' G 22 -11.204 -10.939 9.085 235 H8 G 22 H8 G 22 -7.693 -9.747 9.088 236 H1 G 22 H1 G 22 -10.313 -9.472 3.231 237 1H2 G 22 H21 G 22 -12.236 -10.582 3.207 238 2H2 G 22 H22 G 22 -12.797 -11.494 4.591 239 1H5* C 23 H5' C 23 -10.366 -16.062 8.175 240 2H5* C 23 H5'' C 23 -9.441 -17.563 7.966 241 H4* C 23 H4' C 23 -10.587 -17.111 5.903 242 H3* C 23 H3' C 23 -7.601 -16.461 5.749 243 H2* C 23 H2' C 23 -7.960 -15.837 3.440 244 2HO* C 23 2HO' C 23 -9.354 -17.678 3.028 245 H1* C 23 H1' C 23 -10.333 -14.483 3.825 246 1H4 C 23 H41 C 23 -5.856 -9.970 4.160 247 2H4 C 23 H42 C 23 -5.433 -10.437 5.793 248 H5 C 23 H5 C 23 -6.587 -12.274 6.973 249 H6 C 23 H6 C 23 -8.164 -14.117 6.709 250 1H5* U 24 H5' U 24 -8.082 -19.865 2.648 251 2H5* U 24 H5'' U 24 -6.418 -20.420 2.367 252 H4* U 24 H4' U 24 -7.748 -19.132 0.475 253 H3* U 24 H3' U 24 -4.810 -18.703 1.211 254 H2* U 24 H2' U 24 -4.724 -17.005 -0.507 255 2HO* U 24 2HO' U 24 -5.974 -17.161 -2.219 256 H1* U 24 H1' U 24 -7.139 -15.817 0.075 257 H3 U 24 H3 U 24 -3.656 -13.106 1.410 258 H5 U 24 H5 U 24 -4.437 -15.664 4.673 259 H6 U 24 H6 U 24 -5.928 -16.928 3.227 260 1H5* U 25 H5' U 25 -4.427 -19.603 -3.407 261 2H5* U 25 H5'' U 25 -2.739 -20.152 -3.387 262 H4* U 25 H4' U 25 -3.409 -17.952 -4.681 263 H3* U 25 H3' U 25 -0.948 -18.264 -2.888 264 H2* U 25 H2' U 25 -0.398 -15.974 -3.430 265 2HO* U 25 2HO' U 25 -1.170 -14.996 -5.220 266 H1* U 25 H1' U 25 -2.974 -14.969 -3.245 267 H3 U 25 H3 U 25 -0.697 -13.358 0.393 268 H5 U 25 H5 U 25 -1.746 -17.308 1.437 269 H6 U 25 H6 U 25 -2.513 -17.628 -0.848 270 1H5* C 26 H5' C 26 0.201 -16.276 -5.945 271 2H5* C 26 H5'' C 26 1.321 -17.076 -7.065 272 H4* C 26 H4' C 26 2.150 -14.863 -6.734 273 H3* C 26 H3' C 26 3.726 -16.886 -5.059 274 H2* C 26 H2' C 26 5.088 -15.045 -4.310 275 2HO* C 26 2HO' C 26 5.582 -13.757 -5.932 276 H1* C 26 H1' C 26 3.020 -13.174 -4.085 277 1H4 C 26 H41 C 26 4.091 -15.414 1.789 278 2H4 C 26 H42 C 26 3.111 -16.827 1.468 279 H5 C 26 H5 C 26 2.024 -17.204 -0.707 280 H6 C 26 H6 C 26 1.845 -16.399 -3.002 281 1H5* C 27 H5' C 27 6.973 -15.202 -6.415 282 2H5* C 27 H5'' C 27 7.718 -16.248 -7.641 283 H4* C 27 H4' C 27 9.487 -15.808 -6.173 284 H3* C 27 H3' C 27 8.155 -18.380 -5.198 285 H2* C 27 H2' C 27 9.862 -18.492 -3.524 286 2HO* C 27 2HO' C 27 11.322 -17.361 -5.413 287 H1* C 27 H1' C 27 9.876 -15.738 -2.992 288 1H4 C 27 H41 C 27 6.330 -18.513 1.529 289 2H4 C 27 H42 C 27 4.895 -18.298 0.551 290 H5 C 27 H5 C 27 5.001 -17.545 -1.793 291 H6 C 27 H6 C 27 6.490 -16.755 -3.559 292 H3T C 27 H3T C 27 9.993 -19.245 -6.229 Start of MODEL 4 1 1H5* G 1 H5' G 1 9.450 -12.757 11.112 2 2H5* G 1 H5'' G 1 8.411 -11.449 10.510 3 H4* G 1 H4' G 1 10.760 -11.763 9.444 4 H3* G 1 H3' G 1 8.181 -11.453 7.826 5 H2* G 1 H2' G 1 9.524 -11.620 5.830 6 2HO* G 1 2HO' G 1 11.655 -11.182 7.655 7 H1* G 1 H1' G 1 11.091 -13.716 6.652 8 H8 G 1 H8 G 1 7.534 -14.089 8.002 9 H1 G 1 H1 G 1 8.342 -16.224 2.001 10 1H2 G 1 H21 G 1 10.321 -15.568 1.226 11 2H2 G 1 H22 G 1 11.503 -14.794 2.257 12 H5T G 1 H5T G 1 8.294 -14.194 9.782 13 1H5* G 2 H5' G 2 11.002 -9.992 5.079 14 2H5* G 2 H5'' G 2 10.639 -8.257 5.111 15 H4* G 2 H4' G 2 10.600 -8.809 2.830 16 H3* G 2 H3' G 2 7.705 -8.951 3.839 17 H2* G 2 H2' G 2 7.119 -9.385 1.534 18 2HO* G 2 2HO' G 2 9.787 -8.535 0.958 19 H1* G 2 H1' G 2 9.345 -11.007 0.975 20 H8 G 2 H8 G 2 8.093 -12.290 4.219 21 H1 G 2 H1 G 2 4.223 -13.887 -0.638 22 1H2 G 2 H21 G 2 4.771 -12.746 -2.455 23 2H2 G 2 H22 G 2 6.009 -11.509 -2.438 24 1H5* A 3 H5' A 3 7.853 -6.872 0.774 25 2H5* A 3 H5'' A 3 7.366 -5.172 0.635 26 H4* A 3 H4' A 3 6.210 -6.131 -1.139 27 H3* A 3 H3' A 3 4.330 -6.318 1.275 28 H2* A 3 H2' A 3 2.755 -7.401 -0.181 29 2HO* A 3 2HO' A 3 3.599 -7.376 -2.582 30 H1* A 3 H1' A 3 4.640 -8.836 -1.702 31 H8 A 3 H8 A 3 4.956 -8.874 2.164 32 1H6 A 3 H61 A 3 1.539 -14.033 1.858 33 2H6 A 3 H62 A 3 2.511 -13.015 2.898 34 H2 A 3 H2 A 3 1.770 -12.290 -2.250 35 1H5* A 4 H5' A 4 2.707 -4.915 -2.460 36 2H5* A 4 H5'' A 4 1.369 -3.760 -2.304 37 H4* A 4 H4' A 4 0.877 -5.795 -3.720 38 H3* A 4 H3' A 4 -0.841 -5.221 -1.251 39 H2* A 4 H2' A 4 -2.155 -7.144 -1.856 40 2HO* A 4 2HO' A 4 -1.048 -7.898 -4.186 41 H1* A 4 H1' A 4 -0.031 -8.734 -2.744 42 H8 A 4 H8 A 4 0.618 -6.864 0.550 43 1H6 A 4 H61 A 4 -1.846 -11.830 3.318 44 2H6 A 4 H62 A 4 -0.919 -10.366 3.562 45 H2 A 4 H2 A 4 -2.392 -12.301 -1.088 46 1H5* G 5 H5' G 5 -2.691 -5.786 -4.824 47 2H5* G 5 H5'' G 5 -4.252 -5.077 -5.284 48 H4* G 5 H4' G 5 -4.104 -7.630 -5.272 49 H3* G 5 H3' G 5 -6.253 -6.143 -3.680 50 H2* G 5 H2' G 5 -7.088 -8.273 -2.962 51 2HO* G 5 2HO' G 5 -6.827 -10.078 -4.164 52 H1* G 5 H1' G 5 -4.599 -9.588 -2.789 53 H8 G 5 H8 G 5 -4.143 -6.363 -0.989 54 H1 G 5 H1 G 5 -7.684 -10.557 2.341 55 1H2 G 5 H21 G 5 -8.375 -12.192 1.004 56 2H2 G 5 H22 G 5 -7.804 -12.341 -0.644 57 1H5* U 6 H5' U 6 -8.500 -8.526 -4.864 58 2H5* U 6 H5'' U 6 -9.994 -7.969 -5.646 59 H4* U 6 H4' U 6 -10.637 -9.001 -3.589 60 H3* U 6 H3' U 6 -10.655 -5.953 -3.374 61 H2* U 6 H2' U 6 -11.212 -6.160 -1.076 62 2HO* U 6 2HO' U 6 -12.366 -8.608 -1.948 63 H1* U 6 H1' U 6 -10.119 -8.830 -0.716 64 H3 U 6 H3 U 6 -8.339 -6.618 2.845 65 H5 U 6 H5 U 6 -6.591 -4.731 -0.500 66 H6 U 6 H6 U 6 -8.048 -6.060 -1.919 67 1H5* U 7 H5' U 7 -13.114 -2.879 -4.424 68 2H5* U 7 H5'' U 7 -11.846 -3.847 -5.205 69 H4* U 7 H4' U 7 -11.753 -4.135 -2.303 70 H3* U 7 H3' U 7 -11.620 -1.294 -3.424 71 H2* U 7 H2' U 7 -9.622 -0.931 -2.218 72 2HO* U 7 2HO' U 7 -10.522 -1.311 -0.208 73 H1* U 7 H1' U 7 -8.868 -3.718 -1.907 74 H3 U 7 H3 U 7 -7.558 -1.173 -6.383 75 H5 U 7 H5 U 7 -4.815 -1.947 -3.272 76 H6 U 7 H6 U 7 -6.659 -2.849 -1.972 77 1H5* C 8 H5' C 8 -13.911 -3.315 -1.968 78 2H5* C 8 H5'' C 8 -15.658 -3.284 -2.284 79 H4* C 8 H4' C 8 -16.048 -4.173 -0.241 80 H3* C 8 H3' C 8 -14.428 -1.806 0.842 81 H2* C 8 H2' C 8 -14.385 -2.979 2.943 82 2HO* C 8 2HO' C 8 -15.962 -4.356 3.515 83 H1* C 8 H1' C 8 -14.222 -5.570 1.858 84 1H4 C 8 H41 C 8 -8.463 -4.172 4.179 85 2H4 C 8 H42 C 8 -7.995 -3.493 2.637 86 H5 C 8 H5 C 8 -9.584 -3.207 0.788 87 H6 C 8 H6 C 8 -11.899 -3.501 0.088 88 1H5* G 9 H5' G 9 -18.590 -0.558 2.967 89 2H5* G 9 H5'' G 9 -18.207 1.172 3.076 90 H4* G 9 H4' G 9 -18.419 -0.248 5.269 91 H3* G 9 H3' G 9 -16.163 1.739 4.693 92 H2* G 9 H2' G 9 -15.248 1.182 6.858 93 2HO* G 9 2HO' G 9 -17.535 -0.403 7.430 94 H1* G 9 H1' G 9 -15.695 -1.549 6.720 95 H8 G 9 H8 G 9 -14.572 -0.697 3.274 96 H1 G 9 H1 G 9 -9.772 -0.487 7.532 97 1H2 G 9 H21 G 9 -10.593 -0.480 9.598 98 2H2 G 9 H22 G 9 -12.298 -0.705 9.914 99 1H5* G 10 H5' G 10 -17.799 3.828 8.528 100 2H5* G 10 H5'' G 10 -17.130 5.441 8.208 101 H4* G 10 H4' G 10 -16.188 3.953 10.189 102 H3* G 10 H3' G 10 -14.508 5.625 8.252 103 H2* G 10 H2' G 10 -12.552 4.860 9.459 104 2HO* G 10 2HO' G 10 -12.751 3.826 11.455 105 H1* G 10 H1' G 10 -13.316 2.222 9.653 106 H8 G 10 H8 G 10 -14.545 3.323 6.283 107 H1 G 10 H1 G 10 -8.203 2.391 6.432 108 1H2 G 10 H21 G 10 -7.490 2.312 8.534 109 2H2 G 10 H22 G 10 -8.608 2.249 9.880 110 1H5* U 11 H5' U 11 -13.343 8.207 12.024 111 2H5* U 11 H5'' U 11 -12.986 9.677 11.094 112 H4* U 11 H4' U 11 -11.050 8.339 12.315 113 H3* U 11 H3' U 11 -10.830 9.503 9.495 114 H2* U 11 H2' U 11 -8.511 8.744 9.610 115 2HO* U 11 2HO' U 11 -7.990 7.671 11.790 116 H1* U 11 H1' U 11 -9.094 6.279 10.703 117 H3 U 11 H3 U 11 -7.756 5.980 6.281 118 H5 U 11 H5 U 11 -11.956 6.406 6.223 119 H6 U 11 H6 U 11 -11.864 6.901 8.597 120 1H5* C 12 H5' C 12 -8.128 12.236 11.915 121 2H5* C 12 H5'' C 12 -8.426 13.898 11.364 122 H4* C 12 H4' C 12 -6.066 13.225 11.054 123 H3* C 12 H3' C 12 -7.713 13.731 8.525 124 H2* C 12 H2' C 12 -5.736 13.254 7.238 125 2HO* C 12 2HO' C 12 -4.413 13.629 9.739 126 H1* C 12 H1' C 12 -4.800 11.154 8.826 127 1H4 C 12 H41 C 12 -7.806 8.635 3.801 128 2H4 C 12 H42 C 12 -9.264 8.471 4.755 129 H5 C 12 H5 C 12 -9.521 9.554 6.959 130 H6 C 12 H6 C 12 -8.359 10.821 8.701 131 1H5* U 13 H5' U 13 -5.298 17.255 7.302 132 2H5* U 13 H5'' U 13 -6.654 18.084 6.510 133 H4* U 13 H4' U 13 -4.805 16.956 5.039 134 H3* U 13 H3' U 13 -7.804 16.508 4.543 135 H2* U 13 H2' U 13 -7.038 15.322 2.533 136 2HO* U 13 2HO' U 13 -4.991 16.989 2.830 137 H1* U 13 H1' U 13 -5.098 13.884 3.862 138 H3 U 13 H3 U 13 -8.679 11.091 3.045 139 H5 U 13 H5 U 13 -9.544 13.015 6.699 140 H6 U 13 H6 U 13 -7.629 14.459 6.305 141 1H5* U 14 H5' U 14 -6.409 20.269 1.293 142 2H5* U 14 H5'' U 14 -8.078 20.749 0.944 143 H4* U 14 H4' U 14 -7.489 20.474 -1.242 144 H3* U 14 H3' U 14 -8.644 18.087 -0.675 145 H2* U 14 H2' U 14 -6.616 17.086 0.285 146 2HO* U 14 2HO' U 14 -5.828 15.719 -1.531 147 H1* U 14 H1' U 14 -5.051 18.041 -2.156 148 H3 U 14 H3 U 14 -1.515 19.290 0.995 149 H5 U 14 H5 U 14 -2.946 15.392 1.728 150 H6 U 14 H6 U 14 -4.709 15.809 0.137 151 1H5* C 15 H5' C 15 -7.424 15.805 -3.213 152 2H5* C 15 H5'' C 15 -8.398 15.676 -4.691 153 H4* C 15 H4' C 15 -8.016 13.483 -3.588 154 H3* C 15 H3' C 15 -10.427 14.128 -4.701 155 H2* C 15 H2' C 15 -11.317 15.214 -2.674 156 2HO* C 15 2HO' C 15 -12.217 12.746 -1.869 157 H1* C 15 H1' C 15 -10.373 12.820 -1.053 158 1H4 C 15 H41 C 15 -12.463 17.129 3.212 159 2H4 C 15 H42 C 15 -10.915 17.937 3.111 160 H5 C 15 H5 C 15 -9.210 17.318 1.444 161 H6 C 15 H6 C 15 -8.676 15.778 -0.367 162 1H5* G 16 H5' G 16 -7.484 9.273 -2.649 163 2H5* G 16 H5'' G 16 -7.605 11.038 -2.510 164 H4* G 16 H4' G 16 -6.681 10.254 -5.164 165 H3* G 16 H3' G 16 -5.020 9.307 -2.765 166 H2* G 16 H2' G 16 -3.077 9.911 -4.086 167 2HO* G 16 2HO' G 16 -3.270 9.626 -6.176 168 H1* G 16 H1' G 16 -4.073 12.351 -4.882 169 H8 G 16 H8 G 16 -1.635 11.671 -3.185 170 H1 G 16 H1 G 16 -5.475 13.616 1.570 171 1H2 G 16 H21 G 16 -7.573 13.704 0.866 172 2H2 G 16 H22 G 16 -8.049 13.085 -0.699 173 1H5* G 17 H5' G 17 -0.948 7.746 -4.766 174 2H5* G 17 H5'' G 17 -1.713 6.197 -4.359 175 H4* G 17 H4' G 17 0.120 7.372 -2.765 176 H3* G 17 H3' G 17 -2.326 5.771 -1.835 177 H2* G 17 H2' G 17 -1.498 6.173 0.420 178 2HO* G 17 2HO' G 17 0.766 7.528 -0.593 179 H1* G 17 H1' G 17 -0.947 8.848 0.038 180 H8 G 17 H8 G 17 -4.007 7.361 -1.777 181 H1 G 17 H1 G 17 -5.266 9.804 4.006 182 1H2 G 17 H21 G 17 -3.385 10.344 5.030 183 2H2 G 17 H22 G 17 -1.838 10.301 4.209 184 1H5* A 18 H5' A 18 0.994 5.259 0.624 185 2H5* A 18 H5'' A 18 1.098 3.582 1.193 186 H4* A 18 H4' A 18 0.939 5.303 3.019 187 H3* A 18 H3' A 18 -1.301 3.215 2.830 188 H2* A 18 H2' A 18 -2.139 4.186 4.876 189 2HO* A 18 2HO' A 18 0.453 4.556 5.315 190 H1* A 18 H1' A 18 -1.532 6.840 4.215 191 H8 A 18 H8 A 18 -3.195 4.921 1.352 192 1H6 A 18 H61 A 18 -8.561 6.695 3.867 193 2H6 A 18 H62 A 18 -7.806 5.898 2.506 194 H2 A 18 H2 A 18 -5.300 7.714 6.745 195 1H5* C 19 H5' C 19 0.484 2.638 7.095 196 2H5* C 19 H5'' C 19 -0.005 0.963 7.423 197 H4* C 19 H4' C 19 -0.932 2.891 8.929 198 H3* C 19 H3' C 19 -2.664 0.666 7.738 199 H2* C 19 H2' C 19 -4.529 1.680 8.906 200 2HO* C 19 2HO' C 19 -3.774 3.650 10.282 201 H1* C 19 H1' C 19 -3.862 4.313 8.351 202 1H4 C 19 H41 C 19 -8.045 2.569 3.861 203 2H4 C 19 H42 C 19 -6.743 1.995 2.844 204 H5 C 19 H5 C 19 -4.441 1.732 3.689 205 H6 C 19 H6 C 19 -2.958 2.174 5.574 206 1H5* C 20 H5' C 20 -2.582 -0.200 12.199 207 2H5* C 20 H5'' C 20 -2.469 -1.956 12.444 208 H4* C 20 H4' C 20 -4.515 -0.951 13.453 209 H3* C 20 H3' C 20 -4.851 -2.996 11.204 210 H2* C 20 H2' C 20 -7.243 -2.753 11.445 211 2HO* C 20 2HO' C 20 -7.836 -2.596 13.480 212 H1* C 20 H1' C 20 -7.279 -0.008 11.700 213 1H4 C 20 H41 C 20 -8.147 -1.257 5.514 214 2H4 C 20 H42 C 20 -6.421 -1.186 5.236 215 H5 C 20 H5 C 20 -4.816 -0.772 7.062 216 H6 C 20 H6 C 20 -4.570 -0.561 9.479 217 1H5* G 21 H5' G 21 -7.143 -5.498 14.420 218 2H5* G 21 H5'' G 21 -6.635 -7.084 13.808 219 H4* G 21 H4' G 21 -9.135 -6.581 13.727 220 H3* G 21 H3' G 21 -7.649 -7.365 11.168 221 H2* G 21 H2' G 21 -9.847 -7.350 10.117 222 2HO* G 21 2HO' G 21 -10.694 -8.203 12.350 223 H1* G 21 H1' G 21 -10.673 -4.984 11.244 224 H8 G 21 H8 G 21 -6.936 -4.864 10.484 225 H1 G 21 H1 G 21 -10.671 -3.695 5.394 226 1H2 G 21 H21 G 21 -12.780 -4.207 5.867 227 2H2 G 21 H22 G 21 -13.284 -4.627 7.489 228 1H5* G 22 H5' G 22 -10.323 -10.397 12.449 229 2H5* G 22 H5'' G 22 -9.821 -12.093 12.610 230 H4* G 22 H4' G 22 -11.732 -12.142 11.217 231 H3* G 22 H3' G 22 -9.190 -12.270 9.519 232 H2* G 22 H2' G 22 -10.609 -12.378 7.566 233 2HO* G 22 2HO' G 22 -12.463 -13.385 7.734 234 H1* G 22 H1' G 22 -12.416 -10.456 8.365 235 H8 G 22 H8 G 22 -8.942 -9.377 9.479 236 H1 G 22 H1 G 22 -10.193 -8.213 3.284 237 1H2 G 22 H21 G 22 -12.120 -9.156 2.709 238 2H2 G 22 H22 G 22 -12.993 -10.208 3.801 239 1H5* C 23 H5' C 23 -10.814 -16.557 8.388 240 2H5* C 23 H5'' C 23 -9.234 -17.306 8.082 241 H4* C 23 H4' C 23 -10.922 -17.021 6.105 242 H3* C 23 H3' C 23 -7.953 -16.287 5.953 243 H2* C 23 H2' C 23 -8.336 -15.629 3.661 244 2HO* C 23 2HO' C 23 -11.002 -16.340 3.532 245 H1* C 23 H1' C 23 -10.776 -14.381 4.075 246 1H4 C 23 H41 C 23 -6.344 -9.799 4.239 247 2H4 C 23 H42 C 23 -6.094 -10.065 5.949 248 H5 C 23 H5 C 23 -7.295 -11.819 7.196 249 H6 C 23 H6 C 23 -8.811 -13.720 6.987 250 1H5* U 24 H5' U 24 -8.417 -19.209 2.709 251 2H5* U 24 H5'' U 24 -6.874 -20.062 2.501 252 H4* U 24 H4' U 24 -7.721 -18.502 0.593 253 H3* U 24 H3' U 24 -4.872 -18.419 1.710 254 H2* U 24 H2' U 24 -4.404 -16.675 0.126 255 2HO* U 24 2HO' U 24 -5.507 -16.492 -1.746 256 H1* U 24 H1' U 24 -6.908 -15.409 0.256 257 H3 U 24 H3 U 24 -3.497 -12.635 1.685 258 H5 U 24 H5 U 24 -4.749 -14.811 5.077 259 H6 U 24 H6 U 24 -6.088 -16.201 3.599 260 1H5* U 25 H5' U 25 -4.883 -19.518 -2.862 261 2H5* U 25 H5'' U 25 -3.385 -20.425 -3.154 262 H4* U 25 H4' U 25 -3.824 -18.344 -4.606 263 H3* U 25 H3' U 25 -1.208 -18.784 -3.087 264 H2* U 25 H2' U 25 -0.423 -16.678 -3.973 265 2HO* U 25 2HO' U 25 -1.054 -16.769 -6.082 266 H1* U 25 H1' U 25 -2.758 -15.261 -3.605 267 H3 U 25 H3 U 25 0.296 -13.856 -0.467 268 H5 U 25 H5 U 25 -1.519 -17.282 1.194 269 H6 U 25 H6 U 25 -2.591 -17.663 -0.954 270 1H5* C 26 H5' C 26 0.456 -18.639 -7.336 271 2H5* C 26 H5'' C 26 1.945 -19.593 -7.178 272 H4* C 26 H4' C 26 2.086 -17.004 -7.616 273 H3* C 26 H3' C 26 3.776 -18.532 -5.575 274 H2* C 26 H2' C 26 4.798 -16.446 -4.972 275 2HO* C 26 2HO' C 26 5.278 -15.185 -6.596 276 H1* C 26 H1' C 26 2.510 -14.833 -5.254 277 1H4 C 26 H41 C 26 3.291 -15.837 0.991 278 2H4 C 26 H42 C 26 2.444 -17.364 0.880 279 H5 C 26 H5 C 26 1.573 -18.228 -1.254 280 H6 C 26 H6 C 26 1.539 -17.885 -3.668 281 1H5* C 27 H5' C 27 8.226 -19.241 -6.279 282 2H5* C 27 H5'' C 27 7.088 -18.990 -4.940 283 H4* C 27 H4' C 27 9.124 -16.957 -5.916 284 H3* C 27 H3' C 27 9.121 -18.844 -3.520 285 H2* C 27 H2' C 27 10.249 -17.138 -2.268 286 2HO* C 27 2HO' C 27 11.238 -16.508 -4.626 287 H1* C 27 H1' C 27 8.658 -15.060 -3.151 288 1H4 C 27 H41 C 27 6.157 -17.421 2.261 289 2H4 C 27 H42 C 27 4.891 -18.162 1.305 290 H5 C 27 H5 C 27 4.917 -18.140 -1.157 291 H6 C 27 H6 C 27 6.185 -17.450 -3.124 292 H3T C 27 H3T C 27 11.513 -18.129 -4.331 Start of MODEL 5 1 1H5* G 1 H5' G 1 12.095 -12.218 7.972 2 2H5* G 1 H5'' G 1 11.368 -10.837 8.818 3 H4* G 1 H4' G 1 11.063 -10.367 6.525 4 H3* G 1 H3' G 1 8.518 -11.548 7.723 5 H2* G 1 H2' G 1 7.510 -11.555 5.564 6 2HO* G 1 2HO' G 1 8.511 -9.265 5.357 7 H1* G 1 H1' G 1 9.809 -12.050 4.029 8 H8 G 1 H8 G 1 7.539 -13.560 6.774 9 H1 G 1 H1 G 1 9.369 -17.644 2.171 10 1H2 G 1 H21 G 1 10.920 -16.696 0.890 11 2H2 G 1 H22 G 1 11.343 -15.007 1.056 12 H5T G 1 H5T G 1 10.822 -13.000 9.607 13 1H5* G 2 H5' G 2 8.894 -7.060 5.889 14 2H5* G 2 H5'' G 2 7.352 -6.183 5.955 15 H4* G 2 H4' G 2 8.666 -6.172 3.726 16 H3* G 2 H3' G 2 5.698 -6.835 3.963 17 H2* G 2 H2' G 2 5.627 -7.311 1.606 18 2HO* G 2 2HO' G 2 7.735 -5.553 1.636 19 H1* G 2 H1' G 2 8.017 -8.679 1.422 20 H8 G 2 H8 G 2 6.564 -9.656 4.730 21 H1 G 2 H1 G 2 3.672 -12.548 -0.215 22 1H2 G 2 H21 G 2 4.351 -11.639 -2.125 23 2H2 G 2 H22 G 2 5.367 -10.215 -2.159 24 1H5* A 3 H5' A 3 5.850 -4.042 0.471 25 2H5* A 3 H5'' A 3 4.303 -3.176 0.564 26 H4* A 3 H4' A 3 4.750 -4.656 -1.509 27 H3* A 3 H3' A 3 2.188 -4.879 0.154 28 H2* A 3 H2' A 3 1.458 -6.581 -1.378 29 2HO* A 3 2HO' A 3 2.591 -6.845 -3.404 30 H1* A 3 H1' A 3 3.976 -7.753 -1.815 31 H8 A 3 H8 A 3 3.306 -7.107 1.883 32 1H6 A 3 H61 A 3 0.494 -12.630 1.905 33 2H6 A 3 H62 A 3 0.997 -11.273 2.889 34 H2 A 3 H2 A 3 1.371 -11.551 -2.338 35 1H5* A 4 H5' A 4 1.451 -5.287 -3.842 36 2H5* A 4 H5'' A 4 0.289 -4.078 -4.427 37 H4* A 4 H4' A 4 -0.361 -6.242 -5.279 38 H3* A 4 H3' A 4 -2.158 -5.270 -2.998 39 H2* A 4 H2' A 4 -3.448 -7.278 -3.297 40 2HO* A 4 2HO' A 4 -2.071 -8.132 -5.572 41 H1* A 4 H1' A 4 -1.292 -8.981 -3.866 42 H8 A 4 H8 A 4 -0.822 -6.566 -0.900 43 1H6 A 4 H61 A 4 -3.166 -11.150 2.554 44 2H6 A 4 H62 A 4 -2.429 -9.564 2.583 45 H2 A 4 H2 A 4 -3.536 -12.326 -1.741 46 1H5* G 5 H5' G 5 -4.066 -6.829 -6.367 47 2H5* G 5 H5'' G 5 -5.559 -6.016 -6.877 48 H4* G 5 H4' G 5 -5.805 -8.487 -6.584 49 H3* G 5 H3' G 5 -7.475 -6.626 -4.828 50 H2* G 5 H2' G 5 -8.424 -8.555 -3.780 51 2HO* G 5 2HO' G 5 -8.105 -10.662 -4.851 52 H1* G 5 H1' G 5 -6.143 -10.222 -3.938 53 H8 G 5 H8 G 5 -5.564 -6.711 -2.491 54 H1 G 5 H1 G 5 -7.362 -11.155 1.783 55 1H2 G 5 H21 G 5 -7.984 -13.010 0.729 56 2H2 G 5 H22 G 5 -7.866 -13.172 -1.009 57 1H5* U 6 H5' U 6 -10.166 -9.544 -5.009 58 2H5* U 6 H5'' U 6 -11.541 -8.860 -5.901 59 H4* U 6 H4' U 6 -12.497 -9.487 -3.855 60 H3* U 6 H3' U 6 -11.659 -6.554 -3.656 61 H2* U 6 H2' U 6 -12.393 -6.561 -1.383 62 2HO* U 6 2HO' U 6 -13.840 -8.316 -0.689 63 H1* U 6 H1' U 6 -11.857 -9.325 -0.857 64 H3 U 6 H3 U 6 -9.150 -7.559 2.324 65 H5 U 6 H5 U 6 -7.780 -5.718 -1.216 66 H6 U 6 H6 U 6 -9.564 -6.855 -2.410 67 1H5* U 7 H5' U 7 -14.384 -4.292 -4.837 68 2H5* U 7 H5'' U 7 -12.997 -3.410 -5.507 69 H4* U 7 H4' U 7 -13.117 -4.912 -2.875 70 H3* U 7 H3' U 7 -13.023 -1.959 -3.593 71 H2* U 7 H2' U 7 -11.309 -1.571 -2.020 72 2HO* U 7 2HO' U 7 -12.832 -2.391 -0.387 73 H1* U 7 H1' U 7 -10.409 -4.321 -1.713 74 H3 U 7 H3 U 7 -8.334 -1.377 -5.613 75 H5 U 7 H5 U 7 -6.321 -2.167 -1.992 76 H6 U 7 H6 U 7 -8.331 -3.277 -1.202 77 1H5* C 8 H5' C 8 -14.702 -4.755 -1.212 78 2H5* C 8 H5'' C 8 -16.196 -5.707 -1.261 79 H4* C 8 H4' C 8 -16.961 -4.822 0.787 80 H3* C 8 H3' C 8 -14.845 -2.633 0.448 81 H2* C 8 H2' C 8 -14.676 -2.564 2.842 82 2HO* C 8 2HO' C 8 -16.318 -3.497 4.148 83 H1* C 8 H1' C 8 -15.059 -5.322 3.287 84 1H4 C 8 H41 C 8 -8.807 -4.293 4.010 85 2H4 C 8 H42 C 8 -8.569 -4.240 2.278 86 H5 C 8 H5 C 8 -10.456 -4.183 0.694 87 H6 C 8 H6 C 8 -12.877 -4.362 0.483 88 1H5* G 9 H5' G 9 -17.360 -1.975 3.557 89 2H5* G 9 H5'' G 9 -18.374 -0.538 3.319 90 H4* G 9 H4' G 9 -17.758 -0.418 5.581 91 H3* G 9 H3' G 9 -15.802 1.289 3.957 92 H2* G 9 H2' G 9 -14.698 1.817 6.029 93 2HO* G 9 2HO' G 9 -16.459 0.502 7.709 94 H1* G 9 H1' G 9 -14.913 -0.712 7.184 95 H8 G 9 H8 G 9 -13.947 -0.434 3.438 96 H1 G 9 H1 G 9 -9.027 -0.579 7.560 97 1H2 G 9 H21 G 9 -9.786 -0.450 9.649 98 2H2 G 9 H22 G 9 -11.496 -0.498 10.011 99 1H5* G 10 H5' G 10 -17.594 3.939 7.624 100 2H5* G 10 H5'' G 10 -17.050 5.534 7.067 101 H4* G 10 H4' G 10 -16.167 4.486 9.357 102 H3* G 10 H3' G 10 -14.503 6.070 7.330 103 H2* G 10 H2' G 10 -12.625 5.770 8.831 104 2HO* G 10 2HO' G 10 -13.053 4.745 10.925 105 H1* G 10 H1' G 10 -13.085 3.112 9.374 106 H8 G 10 H8 G 10 -13.956 4.010 5.752 107 H1 G 10 H1 G 10 -7.755 2.701 6.742 108 1H2 G 10 H21 G 10 -7.332 2.628 8.922 109 2H2 G 10 H22 G 10 -8.616 2.679 10.111 110 1H5* U 11 H5' U 11 -14.077 9.002 11.122 111 2H5* U 11 H5'' U 11 -13.573 10.424 10.185 112 H4* U 11 H4' U 11 -11.922 9.276 11.920 113 H3* U 11 H3' U 11 -11.125 10.315 9.158 114 H2* U 11 H2' U 11 -8.863 9.652 9.764 115 2HO* U 11 2HO' U 11 -8.513 8.910 11.992 116 H1* U 11 H1' U 11 -9.566 7.240 10.939 117 H3 U 11 H3 U 11 -7.371 6.345 6.997 118 H5 U 11 H5 U 11 -11.383 7.076 5.906 119 H6 U 11 H6 U 11 -11.789 7.819 8.183 120 1H5* C 12 H5' C 12 -8.919 12.342 11.684 121 2H5* C 12 H5'' C 12 -8.942 14.110 11.847 122 H4* C 12 H4' C 12 -6.702 13.678 11.331 123 H3* C 12 H3' C 12 -8.174 14.204 8.704 124 H2* C 12 H2' C 12 -6.077 13.859 7.565 125 2HO* C 12 2HO' C 12 -4.119 13.876 8.707 126 H1* C 12 H1' C 12 -5.211 11.725 9.143 127 1H4 C 12 H41 C 12 -7.747 9.259 3.837 128 2H4 C 12 H42 C 12 -9.340 9.262 4.563 129 H5 C 12 H5 C 12 -9.811 10.428 6.689 130 H6 C 12 H6 C 12 -8.802 11.601 8.579 131 1H5* U 13 H5' U 13 -5.098 16.410 7.203 132 2H5* U 13 H5'' U 13 -5.989 17.773 6.498 133 H4* U 13 H4' U 13 -4.929 16.214 4.823 134 H3* U 13 H3' U 13 -7.955 16.647 4.783 135 H2* U 13 H2' U 13 -8.041 15.190 2.854 136 2HO* U 13 2HO' U 13 -6.318 14.791 1.630 137 H1* U 13 H1' U 13 -6.412 13.235 3.870 138 H3 U 13 H3 U 13 -10.679 11.607 4.335 139 H5 U 13 H5 U 13 -10.205 14.315 7.533 140 H6 U 13 H6 U 13 -8.081 14.984 6.553 141 1H5* U 14 H5' U 14 -5.159 19.340 1.087 142 2H5* U 14 H5'' U 14 -6.460 19.492 -0.101 143 H4* U 14 H4' U 14 -4.475 19.216 -1.343 144 H3* U 14 H3' U 14 -6.410 17.230 -1.734 145 H2* U 14 H2' U 14 -5.273 15.481 -0.506 146 2HO* U 14 2HO' U 14 -3.507 14.879 -2.371 147 H1* U 14 H1' U 14 -2.582 16.532 -1.478 148 H3 U 14 H3 U 14 -0.389 13.715 1.326 149 H5 U 14 H5 U 14 -3.909 14.645 3.464 150 H6 U 14 H6 U 14 -4.593 16.020 1.602 151 1H5* C 15 H5' C 15 -6.436 14.574 -5.479 152 2H5* C 15 H5'' C 15 -7.957 15.241 -4.854 153 H4* C 15 H4' C 15 -6.459 12.766 -3.991 154 H3* C 15 H3' C 15 -8.718 12.853 -5.513 155 H2* C 15 H2' C 15 -9.973 14.290 -3.945 156 2HO* C 15 2HO' C 15 -11.476 12.827 -3.002 157 H1* C 15 H1' C 15 -9.125 12.471 -1.668 158 1H4 C 15 H41 C 15 -12.172 17.744 0.561 159 2H4 C 15 H42 C 15 -10.587 18.443 0.808 160 H5 C 15 H5 C 15 -8.535 17.373 -0.040 161 H6 C 15 H6 C 15 -7.633 15.395 -1.112 162 1H5* G 16 H5' G 16 -6.541 7.950 -2.849 163 2H5* G 16 H5'' G 16 -7.058 9.590 -2.407 164 H4* G 16 H4' G 16 -5.260 9.405 -4.767 165 H3* G 16 H3' G 16 -4.277 8.722 -1.946 166 H2* G 16 H2' G 16 -2.266 9.960 -2.506 167 2HO* G 16 2HO' G 16 -3.162 9.387 -5.067 168 H1* G 16 H1' G 16 -3.573 12.093 -3.659 169 H8 G 16 H8 G 16 -1.800 12.324 -1.347 170 H1 G 16 H1 G 16 -7.194 11.850 2.085 171 1H2 G 16 H21 G 16 -8.846 11.100 0.814 172 2H2 G 16 H22 G 16 -8.570 10.539 -0.821 173 1H5* G 17 H5' G 17 0.675 8.331 -3.270 174 2H5* G 17 H5'' G 17 0.211 6.682 -2.806 175 H4* G 17 H4' G 17 1.470 8.359 -1.112 176 H3* G 17 H3' G 17 -0.680 6.298 -0.399 177 H2* G 17 H2' G 17 -0.472 7.056 1.888 178 2HO* G 17 2HO' G 17 1.276 8.596 2.370 179 H1* G 17 H1' G 17 -0.303 9.769 1.319 180 H8 G 17 H8 G 17 -2.714 7.390 -0.594 181 H1 G 17 H1 G 17 -5.354 10.686 4.229 182 1H2 G 17 H21 G 17 -3.792 11.797 5.334 183 2H2 G 17 H22 G 17 -2.141 11.891 4.760 184 1H5* A 18 H5' A 18 1.957 6.701 2.792 185 2H5* A 18 H5'' A 18 2.671 5.104 3.091 186 H4* A 18 H4' A 18 1.908 5.903 5.200 187 H3* A 18 H3' A 18 -0.084 3.893 4.026 188 H2* A 18 H2' A 18 -1.385 4.182 6.023 189 2HO* A 18 2HO' A 18 1.121 4.807 7.032 190 H1* A 18 H1' A 18 -0.874 6.929 6.363 191 H8 A 18 H8 A 18 -1.892 5.517 2.887 192 1H6 A 18 H61 A 18 -7.637 7.164 4.512 193 2H6 A 18 H62 A 18 -6.629 6.549 3.221 194 H2 A 18 H2 A 18 -4.962 7.848 8.027 195 1H5* C 19 H5' C 19 0.813 3.252 8.558 196 2H5* C 19 H5'' C 19 0.580 1.501 8.730 197 H4* C 19 H4' C 19 -0.855 3.075 10.198 198 H3* C 19 H3' C 19 -2.089 0.834 8.523 199 H2* C 19 H2' C 19 -4.210 1.487 9.484 200 2HO* C 19 2HO' C 19 -3.070 1.740 11.630 201 H1* C 19 H1' C 19 -3.762 4.242 9.413 202 1H4 C 19 H41 C 19 -7.233 2.992 4.211 203 2H4 C 19 H42 C 19 -5.842 2.332 3.379 204 H5 C 19 H5 C 19 -3.704 1.909 4.533 205 H6 C 19 H6 C 19 -2.479 2.221 6.619 206 1H5* C 20 H5' C 20 -2.571 -0.448 12.837 207 2H5* C 20 H5'' C 20 -2.038 -2.134 12.998 208 H4* C 20 H4' C 20 -4.292 -1.922 13.867 209 H3* C 20 H3' C 20 -4.094 -3.397 11.196 210 H2* C 20 H2' C 20 -6.489 -3.692 11.262 211 2HO* C 20 2HO' C 20 -7.227 -2.550 13.539 212 H1* C 20 H1' C 20 -7.121 -1.147 12.130 213 1H4 C 20 H41 C 20 -7.405 -1.007 5.761 214 2H4 C 20 H42 C 20 -5.694 -0.658 5.660 215 H5 C 20 H5 C 20 -4.276 -0.465 7.668 216 H6 C 20 H6 C 20 -4.210 -0.761 10.089 217 1H5* G 21 H5' G 21 -6.621 -5.215 13.483 218 2H5* G 21 H5'' G 21 -6.410 -6.942 13.826 219 H4* G 21 H4' G 21 -8.626 -6.795 13.074 220 H3* G 21 H3' G 21 -6.885 -7.496 10.652 221 H2* G 21 H2' G 21 -8.936 -7.575 9.389 222 2HO* G 21 2HO' G 21 -10.262 -8.754 10.691 223 H1* G 21 H1' G 21 -10.168 -5.401 10.665 224 H8 G 21 H8 G 21 -6.454 -5.252 9.517 225 H1 G 21 H1 G 21 -10.766 -3.085 5.281 226 1H2 G 21 H21 G 21 -12.817 -3.324 6.108 227 2H2 G 21 H22 G 21 -13.115 -4.192 7.598 228 1H5* G 22 H5' G 22 -9.345 -10.875 12.358 229 2H5* G 22 H5'' G 22 -8.625 -12.499 12.374 230 H4* G 22 H4' G 22 -10.821 -12.658 11.395 231 H3* G 22 H3' G 22 -8.560 -12.871 9.350 232 H2* G 22 H2' G 22 -10.229 -13.123 7.630 233 2HO* G 22 2HO' G 22 -12.365 -13.635 8.140 234 H1* G 22 H1' G 22 -12.011 -11.228 8.588 235 H8 G 22 H8 G 22 -8.523 -9.842 9.064 236 H1 G 22 H1 G 22 -10.658 -9.422 3.020 237 1H2 G 22 H21 G 22 -12.501 -10.638 2.781 238 2H2 G 22 H22 G 22 -13.239 -11.475 4.128 239 1H5* C 23 H5' C 23 -10.665 -15.899 7.975 240 2H5* C 23 H5'' C 23 -9.814 -17.436 8.232 241 H4* C 23 H4' C 23 -10.231 -17.478 5.936 242 H3* C 23 H3' C 23 -7.469 -16.217 6.325 243 H2* C 23 H2' C 23 -7.354 -15.957 3.935 244 2HO* C 23 2HO' C 23 -9.645 -17.662 3.826 245 H1* C 23 H1' C 23 -10.013 -15.240 3.533 246 1H4 C 23 H41 C 23 -6.794 -9.733 3.706 247 2H4 C 23 H42 C 23 -6.647 -9.814 5.448 248 H5 C 23 H5 C 23 -7.280 -11.827 6.726 249 H6 C 23 H6 C 23 -8.347 -14.016 6.578 250 1H5* U 24 H5' U 24 -7.052 -19.978 3.680 251 2H5* U 24 H5'' U 24 -5.326 -20.378 3.555 252 H4* U 24 H4' U 24 -6.686 -19.558 1.430 253 H3* U 24 H3' U 24 -3.849 -18.702 2.193 254 H2* U 24 H2' U 24 -3.843 -17.269 0.265 255 2HO* U 24 2HO' U 24 -5.968 -17.613 -1.096 256 H1* U 24 H1' U 24 -6.500 -16.433 0.428 257 H3 U 24 H3 U 24 -3.770 -12.814 1.177 258 H5 U 24 H5 U 24 -4.005 -14.816 4.883 259 H6 U 24 H6 U 24 -5.152 -16.631 3.744 260 1H5* U 25 H5' U 25 -3.847 -20.105 -2.351 261 2H5* U 25 H5'' U 25 -2.133 -20.518 -2.560 262 H4* U 25 H4' U 25 -3.254 -18.621 -4.030 263 H3* U 25 H3' U 25 -0.474 -18.503 -2.760 264 H2* U 25 H2' U 25 -0.234 -16.287 -3.684 265 2HO* U 25 2HO' U 25 -2.689 -16.388 -5.041 266 H1* U 25 H1' U 25 -2.802 -15.403 -3.129 267 H3 U 25 H3 U 25 -0.007 -13.195 -0.240 268 H5 U 25 H5 U 25 -0.569 -17.000 1.491 269 H6 U 25 H6 U 25 -1.713 -17.675 -0.545 270 1H5* C 26 H5' C 26 0.475 -16.797 -5.960 271 2H5* C 26 H5'' C 26 1.414 -17.839 -7.047 272 H4* C 26 H4' C 26 2.682 -15.872 -6.968 273 H3* C 26 H3' C 26 3.783 -17.778 -4.841 274 H2* C 26 H2' C 26 5.367 -16.075 -4.251 275 2HO* C 26 2HO' C 26 4.689 -14.402 -6.399 276 H1* C 26 H1' C 26 3.668 -13.862 -4.665 277 1H4 C 26 H41 C 26 3.849 -14.696 1.644 278 2H4 C 26 H42 C 26 2.763 -16.065 1.544 279 H5 C 26 H5 C 26 1.845 -16.855 -0.604 280 H6 C 26 H6 C 26 1.987 -16.619 -3.028 281 1H5* C 27 H5' C 27 7.356 -16.157 -5.729 282 2H5* C 27 H5'' C 27 7.972 -17.294 -6.945 283 H4* C 27 H4' C 27 9.840 -17.033 -5.588 284 H3* C 27 H3' C 27 8.243 -19.289 -4.282 285 H2* C 27 H2' C 27 10.015 -19.452 -2.683 286 2HO* C 27 2HO' C 27 11.656 -19.202 -4.419 287 H1* C 27 H1' C 27 10.415 -16.682 -2.472 288 1H4 C 27 H41 C 27 6.899 -18.518 2.521 289 2H4 C 27 H42 C 27 5.434 -18.182 1.625 290 H5 C 27 H5 C 27 5.481 -17.376 -0.706 291 H6 C 27 H6 C 27 6.918 -16.976 -2.638 292 H3T C 27 H3T C 27 9.382 -20.438 -5.659 Start of MODEL 6 1 1H5* G 1 H5' G 1 5.756 -8.179 11.968 2 2H5* G 1 H5'' G 1 4.684 -7.236 10.913 3 H4* G 1 H4' G 1 7.149 -7.278 10.265 4 H3* G 1 H3' G 1 4.987 -8.167 8.286 5 H2* G 1 H2' G 1 6.767 -8.485 6.676 6 2HO* G 1 2HO' G 1 8.409 -7.204 8.625 7 H1* G 1 H1' G 1 8.471 -9.808 8.359 8 H8 G 1 H8 G 1 4.886 -10.679 9.300 9 H1 G 1 H1 G 1 7.234 -14.158 4.441 10 1H2 G 1 H21 G 1 9.124 -13.255 3.703 11 2H2 G 1 H22 G 1 9.900 -11.928 4.541 12 H5T G 1 H5T G 1 3.951 -9.395 11.542 13 1H5* G 2 H5' G 2 8.037 -6.730 5.777 14 2H5* G 2 H5'' G 2 7.301 -5.270 5.091 15 H4* G 2 H4' G 2 8.109 -6.496 3.238 16 H3* G 2 H3' G 2 5.116 -7.098 3.545 17 H2* G 2 H2' G 2 5.350 -8.376 1.508 18 2HO* G 2 2HO' G 2 6.596 -7.512 0.037 19 H1* G 2 H1' G 2 7.891 -9.412 2.109 20 H8 G 2 H8 G 2 5.833 -9.857 5.197 21 H1 G 2 H1 G 2 4.308 -14.054 0.605 22 1H2 G 2 H21 G 2 5.178 -13.415 -1.330 23 2H2 G 2 H22 G 2 6.270 -12.053 -1.450 24 1H5* A 3 H5' A 3 5.637 -5.338 -0.497 25 2H5* A 3 H5'' A 3 4.108 -4.566 -0.963 26 H4* A 3 H4' A 3 4.980 -6.578 -2.366 27 H3* A 3 H3' A 3 2.107 -6.367 -1.325 28 H2* A 3 H2' A 3 1.667 -8.459 -2.421 29 2HO* A 3 2HO' A 3 3.650 -7.508 -4.061 30 H1* A 3 H1' A 3 4.178 -9.633 -1.927 31 H8 A 3 H8 A 3 3.059 -8.200 1.339 32 1H6 A 3 H61 A 3 -0.598 -13.166 1.946 33 2H6 A 3 H62 A 3 0.053 -11.757 2.751 34 H2 A 3 H2 A 3 0.906 -13.070 -2.260 35 1H5* A 4 H5' A 4 1.708 -7.778 -4.912 36 2H5* A 4 H5'' A 4 0.953 -6.629 -6.035 37 H4* A 4 H4' A 4 -0.260 -8.577 -6.449 38 H3* A 4 H3' A 4 -1.763 -7.066 -4.248 39 H2* A 4 H2' A 4 -3.349 -8.872 -4.228 40 2HO* A 4 2HO' A 4 -3.487 -10.324 -5.963 41 H1* A 4 H1' A 4 -1.504 -10.948 -4.662 42 H8 A 4 H8 A 4 -0.629 -8.220 -2.056 43 1H6 A 4 H61 A 4 -3.293 -12.023 2.047 44 2H6 A 4 H62 A 4 -2.291 -10.603 1.852 45 H2 A 4 H2 A 4 -3.872 -13.766 -2.027 46 1H5* G 5 H5' G 5 -4.198 -8.817 -7.458 47 2H5* G 5 H5'' G 5 -5.634 -7.821 -7.774 48 H4* G 5 H4' G 5 -6.069 -10.271 -7.251 49 H3* G 5 H3' G 5 -7.363 -8.060 -5.581 50 H2* G 5 H2' G 5 -8.421 -9.760 -4.268 51 2HO* G 5 2HO' G 5 -7.996 -11.258 -6.619 52 H1* G 5 H1' G 5 -6.335 -11.659 -4.383 53 H8 G 5 H8 G 5 -5.400 -8.030 -3.468 54 H1 G 5 H1 G 5 -6.973 -11.786 1.498 55 1H2 G 5 H21 G 5 -7.816 -13.707 0.755 56 2H2 G 5 H22 G 5 -7.800 -14.123 -0.944 57 1H5* U 6 H5' U 6 -10.308 -10.818 -5.267 58 2H5* U 6 H5'' U 6 -11.698 -10.079 -6.085 59 H4* U 6 H4' U 6 -12.482 -10.547 -3.913 60 H3* U 6 H3' U 6 -11.560 -7.629 -4.023 61 H2* U 6 H2' U 6 -12.138 -7.443 -1.712 62 2HO* U 6 2HO' U 6 -14.227 -8.670 -2.401 63 H1* U 6 H1' U 6 -11.597 -10.166 -1.006 64 H3 U 6 H3 U 6 -8.624 -8.177 1.793 65 H5 U 6 H5 U 6 -7.452 -6.772 -2.007 66 H6 U 6 H6 U 6 -9.366 -7.935 -2.947 67 1H5* U 7 H5' U 7 -15.124 -4.796 -5.588 68 2H5* U 7 H5'' U 7 -13.525 -5.247 -6.213 69 H4* U 7 H4' U 7 -14.061 -6.187 -3.466 70 H3* U 7 H3' U 7 -14.476 -3.300 -3.991 71 H2* U 7 H2' U 7 -12.291 -2.634 -3.441 72 2HO* U 7 2HO' U 7 -12.715 -2.289 -1.379 73 H1* U 7 H1' U 7 -11.478 -5.272 -2.272 74 H3 U 7 H3 U 7 -7.773 -2.440 -2.718 75 H5 U 7 H5 U 7 -8.518 -4.162 -6.492 76 H6 U 7 H6 U 7 -10.605 -5.021 -5.605 77 1H5* C 8 H5' C 8 -14.379 -6.272 -1.171 78 2H5* C 8 H5'' C 8 -15.398 -7.536 -0.455 79 H4* C 8 H4' C 8 -16.094 -5.994 1.319 80 H3* C 8 H3' C 8 -14.390 -3.959 -0.195 81 H2* C 8 H2' C 8 -13.600 -3.118 1.896 82 2HO* C 8 2HO' C 8 -14.955 -4.186 3.809 83 H1* C 8 H1' C 8 -13.644 -5.555 3.333 84 1H4 C 8 H41 C 8 -7.454 -4.645 2.158 85 2H4 C 8 H42 C 8 -7.691 -4.710 0.425 86 H5 C 8 H5 C 8 -9.936 -4.794 -0.587 87 H6 C 8 H6 C 8 -12.318 -5.003 -0.118 88 1H5* G 9 H5' G 9 -17.644 -1.920 2.994 89 2H5* G 9 H5'' G 9 -17.470 -0.214 2.528 90 H4* G 9 H4' G 9 -17.055 -0.974 5.029 91 H3* G 9 H3' G 9 -15.303 0.997 3.468 92 H2* G 9 H2' G 9 -13.976 1.212 5.473 93 2HO* G 9 2HO' G 9 -16.022 -0.270 6.808 94 H1* G 9 H1' G 9 -14.017 -1.476 6.174 95 H8 G 9 H8 G 9 -13.577 -0.839 2.409 96 H1 G 9 H1 G 9 -8.134 -0.743 5.813 97 1H2 G 9 H21 G 9 -8.597 -0.803 7.985 98 2H2 G 9 H22 G 9 -10.237 -0.942 8.580 99 1H5* G 10 H5' G 10 -16.644 2.847 7.408 100 2H5* G 10 H5'' G 10 -16.160 4.556 7.381 101 H4* G 10 H4' G 10 -14.960 2.794 8.987 102 H3* G 10 H3' G 10 -13.593 5.053 7.433 103 H2* G 10 H2' G 10 -11.516 4.312 8.439 104 2HO* G 10 2HO' G 10 -11.664 2.570 10.059 105 H1* G 10 H1' G 10 -11.942 1.614 8.061 106 H8 G 10 H8 G 10 -13.367 3.406 5.053 107 H1 G 10 H1 G 10 -6.984 2.854 4.899 108 1H2 G 10 H21 G 10 -6.213 2.294 6.903 109 2H2 G 10 H22 G 10 -7.291 1.836 8.205 110 1H5* U 11 H5' U 11 -12.268 6.330 11.749 111 2H5* U 11 H5'' U 11 -12.024 8.049 11.382 112 H4* U 11 H4' U 11 -9.975 6.505 12.039 113 H3* U 11 H3' U 11 -9.947 8.586 9.801 114 H2* U 11 H2' U 11 -7.621 7.969 9.490 115 2HO* U 11 2HO' U 11 -7.664 6.270 11.738 116 H1* U 11 H1' U 11 -7.976 5.231 9.856 117 H3 U 11 H3 U 11 -6.803 6.001 5.474 118 H5 U 11 H5 U 11 -10.975 6.621 5.652 119 H6 U 11 H6 U 11 -10.814 6.489 8.072 120 1H5* C 12 H5' C 12 -7.139 9.738 12.400 121 2H5* C 12 H5'' C 12 -7.159 11.323 13.201 122 H4* C 12 H4' C 12 -5.081 11.285 12.108 123 H3* C 12 H3' C 12 -7.114 12.675 10.302 124 H2* C 12 H2' C 12 -5.346 12.984 8.692 125 2HO* C 12 2HO' C 12 -3.470 12.004 10.594 126 H1* C 12 H1' C 12 -4.161 10.484 9.040 127 1H4 C 12 H41 C 12 -7.919 10.109 3.903 128 2H4 C 12 H42 C 12 -9.283 9.652 4.902 129 H5 C 12 H5 C 12 -9.220 9.820 7.366 130 H6 C 12 H6 C 12 -7.774 10.235 9.294 131 1H5* U 13 H5' U 13 -4.454 15.719 9.358 132 2H5* U 13 H5'' U 13 -5.581 17.090 9.362 133 H4* U 13 H4' U 13 -4.675 16.287 7.089 134 H3* U 13 H3' U 13 -7.662 16.652 7.632 135 H2* U 13 H2' U 13 -8.061 16.004 5.338 136 2HO* U 13 2HO' U 13 -5.991 15.531 4.091 137 H1* U 13 H1' U 13 -6.357 13.854 5.315 138 H3 U 13 H3 U 13 -10.645 12.208 5.647 139 H5 U 13 H5 U 13 -9.500 13.162 9.592 140 H6 U 13 H6 U 13 -7.520 14.238 8.677 141 1H5* U 14 H5' U 14 -5.013 20.355 4.719 142 2H5* U 14 H5'' U 14 -6.502 21.077 4.092 143 H4* U 14 H4' U 14 -5.002 21.291 2.317 144 H3* U 14 H3' U 14 -7.105 19.556 1.737 145 H2* U 14 H2' U 14 -5.890 17.484 1.937 146 2HO* U 14 2HO' U 14 -5.424 16.872 -0.104 147 H1* U 14 H1' U 14 -3.371 18.740 0.795 148 H3 U 14 H3 U 14 -0.940 15.132 2.087 149 H5 U 14 H5 U 14 -3.903 15.410 5.085 150 H6 U 14 H6 U 14 -4.798 17.328 3.923 151 1H5* C 15 H5' C 15 -6.367 17.540 -1.890 152 2H5* C 15 H5'' C 15 -7.674 18.343 -2.779 153 H4* C 15 H4' C 15 -7.748 15.724 -1.916 154 H3* C 15 H3' C 15 -9.600 17.168 -3.336 155 H2* C 15 H2' C 15 -10.400 18.415 -1.352 156 2HO* C 15 2HO' C 15 -12.347 17.795 -1.988 157 H1* C 15 H1' C 15 -10.569 15.742 0.098 158 1H4 C 15 H41 C 15 -12.066 20.619 4.102 159 2H4 C 15 H42 C 15 -10.408 20.547 4.655 160 H5 C 15 H5 C 15 -8.685 19.270 3.439 161 H6 C 15 H6 C 15 -8.300 17.605 1.714 162 1H5* G 16 H5' G 16 -8.283 11.560 -3.694 163 2H5* G 16 H5'' G 16 -7.686 11.497 -2.023 164 H4* G 16 H4' G 16 -6.687 13.127 -4.354 165 H3* G 16 H3' G 16 -5.355 11.446 -2.165 166 H2* G 16 H2' G 16 -3.380 12.798 -2.520 167 2HO* G 16 2HO' G 16 -4.417 14.378 -4.536 168 H1* G 16 H1' G 16 -4.711 15.218 -2.673 169 H8 G 16 H8 G 16 -2.560 14.396 -0.741 170 H1 G 16 H1 G 16 -7.550 13.512 3.188 171 1H2 G 16 H21 G 16 -9.427 13.374 2.023 172 2H2 G 16 H22 G 16 -9.457 13.552 0.282 173 1H5* G 17 H5' G 17 -0.681 11.562 -4.316 174 2H5* G 17 H5'' G 17 -1.181 9.862 -4.441 175 H4* G 17 H4' G 17 0.397 10.754 -2.449 176 H3* G 17 H3' G 17 -1.776 8.608 -2.266 177 H2* G 17 H2' G 17 -1.272 8.444 0.089 178 2HO* G 17 2HO' G 17 0.965 10.159 -0.304 179 H1* G 17 H1' G 17 -0.919 11.167 0.553 180 H8 G 17 H8 G 17 -3.757 9.580 -1.618 181 H1 G 17 H1 G 17 -5.462 11.429 4.279 182 1H2 G 17 H21 G 17 -3.706 12.206 5.374 183 2H2 G 17 H22 G 17 -2.112 12.267 4.656 184 1H5* A 18 H5' A 18 1.424 7.741 -0.229 185 2H5* A 18 H5'' A 18 2.221 6.163 -0.384 186 H4* A 18 H4' A 18 1.886 6.495 1.944 187 H3* A 18 H3' A 18 -0.321 4.683 0.826 188 H2* A 18 H2' A 18 -1.135 4.512 3.084 189 2HO* A 18 2HO' A 18 0.613 4.145 4.314 190 H1* A 18 H1' A 18 -0.629 7.167 3.808 191 H8 A 18 H8 A 18 -2.270 6.370 0.374 192 1H6 A 18 H61 A 18 -7.621 7.392 3.322 193 2H6 A 18 H62 A 18 -6.888 6.949 1.796 194 H2 A 18 H2 A 18 -4.339 7.492 6.353 195 1H5* C 19 H5' C 19 1.927 2.635 4.268 196 2H5* C 19 H5'' C 19 1.371 0.951 4.337 197 H4* C 19 H4' C 19 0.794 2.679 6.281 198 H3* C 19 H3' C 19 -1.107 0.573 5.132 199 H2* C 19 H2' C 19 -2.728 1.364 6.756 200 2HO* C 19 2HO' C 19 -1.281 3.297 7.988 201 H1* C 19 H1' C 19 -2.233 4.058 6.394 202 1H4 C 19 H41 C 19 -7.051 2.767 2.440 203 2H4 C 19 H42 C 19 -5.961 2.080 1.255 204 H5 C 19 H5 C 19 -3.522 1.972 1.626 205 H6 C 19 H6 C 19 -1.752 2.289 3.274 206 1H5* C 20 H5' C 20 -0.134 -0.717 9.330 207 2H5* C 20 H5'' C 20 -0.048 -2.484 9.473 208 H4* C 20 H4' C 20 -1.820 -1.435 10.897 209 H3* C 20 H3' C 20 -2.642 -3.428 8.728 210 H2* C 20 H2' C 20 -4.932 -3.136 9.434 211 2HO* C 20 2HO' C 20 -5.338 -1.869 11.383 212 H1* C 20 H1' C 20 -4.845 -0.394 9.734 213 1H4 C 20 H41 C 20 -6.937 -1.514 3.820 214 2H4 C 20 H42 C 20 -5.298 -1.459 3.211 215 H5 C 20 H5 C 20 -3.361 -1.091 4.691 216 H6 C 20 H6 C 20 -2.643 -0.933 7.018 217 1H5* G 21 H5' G 21 -4.483 -4.516 11.962 218 2H5* G 21 H5'' G 21 -4.482 -6.209 12.496 219 H4* G 21 H4' G 21 -6.761 -5.656 12.172 220 H3* G 21 H3' G 21 -5.718 -7.135 9.702 221 H2* G 21 H2' G 21 -7.968 -6.971 8.832 222 2HO* G 21 2HO' G 21 -8.800 -7.480 11.072 223 H1* G 21 H1' G 21 -8.446 -4.370 9.679 224 H8 G 21 H8 G 21 -4.946 -5.187 8.250 225 H1 G 21 H1 G 21 -9.315 -3.369 3.913 226 1H2 G 21 H21 G 21 -11.315 -3.212 4.879 227 2H2 G 21 H22 G 21 -11.514 -3.359 6.611 228 1H5* G 22 H5' G 22 -8.176 -10.400 12.409 229 2H5* G 22 H5'' G 22 -7.549 -11.963 11.846 230 H4* G 22 H4' G 22 -10.071 -11.596 11.642 231 H3* G 22 H3' G 22 -8.354 -12.415 9.249 232 H2* G 22 H2' G 22 -10.354 -12.406 7.898 233 2HO* G 22 2HO' G 22 -12.129 -13.067 8.836 234 H1* G 22 H1' G 22 -11.441 -10.078 8.909 235 H8 G 22 H8 G 22 -7.808 -9.282 8.807 236 H1 G 22 H1 G 22 -10.423 -9.475 2.939 237 1H2 G 22 H21 G 22 -12.464 -10.350 3.049 238 2H2 G 22 H22 G 22 -13.110 -11.008 4.536 239 1H5* C 23 H5' C 23 -11.188 -14.641 8.184 240 2H5* C 23 H5'' C 23 -10.818 -16.333 8.573 241 H4* C 23 H4' C 23 -11.381 -16.518 6.331 242 H3* C 23 H3' C 23 -8.377 -15.916 6.361 243 H2* C 23 H2' C 23 -8.459 -15.975 3.949 244 2HO* C 23 2HO' C 23 -11.166 -16.824 4.056 245 H1* C 23 H1' C 23 -10.844 -14.596 3.669 246 1H4 C 23 H41 C 23 -6.352 -10.109 3.147 247 2H4 C 23 H42 C 23 -6.010 -10.165 4.862 248 H5 C 23 H5 C 23 -7.220 -11.675 6.394 249 H6 C 23 H6 C 23 -8.824 -13.511 6.514 250 1H5* U 24 H5' U 24 -8.403 -20.174 4.071 251 2H5* U 24 H5'' U 24 -6.690 -20.543 4.354 252 H4* U 24 H4' U 24 -7.615 -20.180 1.893 253 H3* U 24 H3' U 24 -4.963 -19.105 2.982 254 H2* U 24 H2' U 24 -4.592 -18.106 0.832 255 2HO* U 24 2HO' U 24 -6.490 -20.050 0.028 256 H1* U 24 H1' U 24 -7.264 -17.420 0.297 257 H3 U 24 H3 U 24 -4.966 -13.469 0.542 258 H5 U 24 H5 U 24 -5.395 -14.705 4.553 259 H6 U 24 H6 U 24 -6.300 -16.804 3.731 260 1H5* U 25 H5' U 25 -4.001 -21.740 -0.967 261 2H5* U 25 H5'' U 25 -2.267 -22.021 -0.703 262 H4* U 25 H4' U 25 -3.136 -20.721 -2.855 263 H3* U 25 H3' U 25 -0.664 -20.045 -1.188 264 H2* U 25 H2' U 25 -0.293 -18.149 -2.634 265 2HO* U 25 2HO' U 25 -2.423 -19.034 -4.301 266 H1* U 25 H1' U 25 -2.922 -17.321 -2.800 267 H3 U 25 H3 U 25 -0.712 -14.317 -0.122 268 H5 U 25 H5 U 25 -1.678 -17.547 2.415 269 H6 U 25 H6 U 25 -2.403 -18.776 0.448 270 1H5* C 26 H5' C 26 1.460 -20.212 -5.191 271 2H5* C 26 H5'' C 26 2.927 -21.077 -4.691 272 H4* C 26 H4' C 26 3.221 -18.700 -5.617 273 H3* C 26 H3' C 26 4.379 -19.543 -2.914 274 H2* C 26 H2' C 26 5.242 -17.321 -2.667 275 2HO* C 26 2HO' C 26 6.140 -16.540 -4.411 276 H1* C 26 H1' C 26 3.119 -15.966 -3.937 277 1H4 C 26 H41 C 26 2.385 -15.073 2.329 278 2H4 C 26 H42 C 26 1.578 -16.617 2.487 279 H5 C 26 H5 C 26 1.302 -18.160 0.585 280 H6 C 26 H6 C 26 1.840 -18.531 -1.765 281 1H5* C 27 H5' C 27 8.776 -19.543 -2.216 282 2H5* C 27 H5'' C 27 7.273 -18.899 -1.525 283 H4* C 27 H4' C 27 9.312 -17.059 -2.778 284 H3* C 27 H3' C 27 9.331 -18.199 0.051 285 H2* C 27 H2' C 27 10.049 -16.049 0.838 286 2HO* C 27 2HO' C 27 10.919 -15.850 -1.761 287 H1* C 27 H1' C 27 8.270 -14.593 -0.689 288 1H4 C 27 H41 C 27 5.543 -15.835 4.980 289 2H4 C 27 H42 C 27 4.568 -17.065 4.207 290 H5 C 27 H5 C 27 4.824 -17.637 1.823 291 H6 C 27 H6 C 27 6.178 -17.267 -0.173 292 H3T C 27 H3T C 27 11.227 -18.772 -0.694 Start of MODEL 7 1 1H5* G 1 H5' G 1 12.934 -14.733 5.799 2 2H5* G 1 H5'' G 1 12.061 -14.209 7.253 3 H4* G 1 H4' G 1 11.780 -12.554 5.495 4 H3* G 1 H3' G 1 9.289 -14.178 6.171 5 H2* G 1 H2' G 1 8.106 -13.107 4.412 6 2HO* G 1 2HO' G 1 9.605 -11.053 5.243 7 H1* G 1 H1' G 1 10.244 -12.716 2.627 8 H8 G 1 H8 G 1 8.161 -15.449 4.405 9 H1 G 1 H1 G 1 9.366 -16.514 -1.811 10 1H2 G 1 H21 G 1 10.822 -15.014 -2.567 11 2H2 G 1 H22 G 1 11.339 -13.658 -1.590 12 H5T G 1 H5T G 1 10.575 -15.740 6.944 13 1H5* G 2 H5' G 2 9.727 -9.307 6.644 14 2H5* G 2 H5'' G 2 8.209 -8.622 7.262 15 H4* G 2 H4' G 2 9.313 -7.499 5.203 16 H3* G 2 H3' G 2 6.370 -8.258 5.402 17 H2* G 2 H2' G 2 6.030 -7.606 3.114 18 2HO* G 2 2HO' G 2 8.524 -6.660 2.526 19 H1* G 2 H1' G 2 8.357 -8.632 2.051 20 H8 G 2 H8 G 2 7.163 -11.039 4.702 21 H1 G 2 H1 G 2 4.025 -11.605 -0.870 22 1H2 G 2 H21 G 2 4.597 -9.947 -2.233 23 2H2 G 2 H22 G 2 5.571 -8.600 -1.686 24 1H5* A 3 H5' A 3 6.584 -4.965 3.422 25 2H5* A 3 H5'' A 3 5.674 -3.544 3.972 26 H4* A 3 H4' A 3 5.046 -3.859 1.710 27 H3* A 3 H3' A 3 2.925 -5.011 3.584 28 H2* A 3 H2' A 3 1.678 -5.699 1.647 29 2HO* A 3 2HO' A 3 3.483 -4.220 0.014 30 H1* A 3 H1' A 3 3.830 -6.525 0.100 31 H8 A 3 H8 A 3 3.834 -7.383 3.881 32 1H6 A 3 H61 A 3 1.306 -12.759 2.117 33 2H6 A 3 H62 A 3 1.927 -11.842 3.471 34 H2 A 3 H2 A 3 1.633 -10.141 -1.488 35 1H5* A 4 H5' A 4 1.437 -2.616 0.201 36 2H5* A 4 H5'' A 4 -0.173 -1.939 0.519 37 H4* A 4 H4' A 4 0.116 -3.563 -1.485 38 H3* A 4 H3' A 4 -2.100 -3.810 0.604 39 H2* A 4 H2' A 4 -2.884 -5.774 -0.546 40 2HO* A 4 2HO' A 4 -1.713 -6.244 -2.655 41 H1* A 4 H1' A 4 -0.407 -6.869 -1.130 42 H8 A 4 H8 A 4 -0.499 -5.342 2.376 43 1H6 A 4 H61 A 4 -2.607 -10.863 4.238 44 2H6 A 4 H62 A 4 -2.044 -9.292 4.760 45 H2 A 4 H2 A 4 -2.541 -10.849 -0.228 46 1H5* G 5 H5' G 5 -3.241 -4.411 -3.134 47 2H5* G 5 H5'' G 5 -4.808 -3.860 -3.762 48 H4* G 5 H4' G 5 -4.399 -6.348 -3.929 49 H3* G 5 H3' G 5 -6.807 -5.267 -2.395 50 H2* G 5 H2' G 5 -7.412 -7.503 -1.815 51 2HO* G 5 2HO' G 5 -6.939 -9.192 -3.114 52 H1* G 5 H1' G 5 -4.810 -8.579 -1.633 53 H8 G 5 H8 G 5 -5.005 -5.377 0.342 54 H1 G 5 H1 G 5 -7.518 -10.431 3.402 55 1H2 G 5 H21 G 5 -7.790 -12.119 1.980 56 2H2 G 5 H22 G 5 -7.208 -12.040 0.332 57 1H5* U 6 H5' U 6 -8.626 -8.478 -3.566 58 2H5* U 6 H5'' U 6 -10.070 -7.970 -4.466 59 H4* U 6 H4' U 6 -10.799 -9.224 -2.542 60 H3* U 6 H3' U 6 -11.217 -6.214 -2.280 61 H2* U 6 H2' U 6 -11.860 -6.491 -0.023 62 2HO* U 6 2HO' U 6 -12.611 -9.180 -0.579 63 H1* U 6 H1' U 6 -10.681 -9.151 0.336 64 H3 U 6 H3 U 6 -9.266 -7.286 4.228 65 H5 U 6 H5 U 6 -7.775 -4.648 1.293 66 H6 U 6 H6 U 6 -8.933 -5.974 -0.381 67 1H5* U 7 H5' U 7 -14.689 -4.370 -4.271 68 2H5* U 7 H5'' U 7 -12.986 -4.600 -4.720 69 H4* U 7 H4' U 7 -13.669 -5.577 -2.018 70 H3* U 7 H3' U 7 -14.089 -2.644 -2.702 71 H2* U 7 H2' U 7 -12.721 -1.968 -0.872 72 2HO* U 7 2HO' U 7 -12.457 -3.261 0.924 73 H1* U 7 H1' U 7 -10.908 -4.110 -0.834 74 H3 U 7 H3 U 7 -10.621 -0.987 -5.116 75 H5 U 7 H5 U 7 -8.030 -0.620 -1.806 76 H6 U 7 H6 U 7 -9.347 -2.327 -0.683 77 1H5* C 8 H5' C 8 -15.256 -5.708 -0.323 78 2H5* C 8 H5'' C 8 -16.491 -6.980 -0.303 79 H4* C 8 H4' C 8 -17.624 -5.983 1.545 80 H3* C 8 H3' C 8 -15.841 -3.542 1.068 81 H2* C 8 H2' C 8 -15.834 -3.181 3.436 82 2HO* C 8 2HO' C 8 -18.080 -4.951 3.471 83 H1* C 8 H1' C 8 -15.898 -5.903 4.206 84 1H4 C 8 H41 C 8 -9.916 -4.016 5.277 85 2H4 C 8 H42 C 8 -9.551 -4.014 3.565 86 H5 C 8 H5 C 8 -11.215 -4.661 1.871 87 H6 C 8 H6 C 8 -13.567 -5.172 1.494 88 1H5* G 9 H5' G 9 -18.686 -2.749 4.272 89 2H5* G 9 H5'' G 9 -19.602 -1.342 3.693 90 H4* G 9 H4' G 9 -19.000 -0.737 5.877 91 H3* G 9 H3' G 9 -16.895 0.395 3.962 92 H2* G 9 H2' G 9 -15.763 1.294 5.884 93 2HO* G 9 2HO' G 9 -16.837 1.456 7.894 94 H1* G 9 H1' G 9 -16.247 -0.863 7.607 95 H8 G 9 H8 G 9 -15.036 -1.031 3.888 96 H1 G 9 H1 G 9 -10.543 -2.004 8.368 97 1H2 G 9 H21 G 9 -11.440 -1.828 10.391 98 2H2 G 9 H22 G 9 -13.123 -1.415 10.628 99 1H5* G 10 H5' G 10 -18.410 3.445 7.189 100 2H5* G 10 H5'' G 10 -18.017 5.022 6.474 101 H4* G 10 H4' G 10 -16.984 4.406 8.778 102 H3* G 10 H3' G 10 -15.314 5.477 6.442 103 H2* G 10 H2' G 10 -13.424 5.419 7.950 104 2HO* G 10 2HO' G 10 -15.153 6.060 9.733 105 H1* G 10 H1' G 10 -14.002 2.963 9.074 106 H8 G 10 H8 G 10 -14.713 3.307 5.293 107 H1 G 10 H1 G 10 -8.760 1.424 6.778 108 1H2 G 10 H21 G 10 -8.424 1.629 8.965 109 2H2 G 10 H22 G 10 -9.729 2.014 10.065 110 1H5* U 11 H5' U 11 -15.018 9.249 9.547 111 2H5* U 11 H5'' U 11 -14.366 10.404 8.366 112 H4* U 11 H4' U 11 -12.944 9.630 10.489 113 H3* U 11 H3' U 11 -11.846 10.072 7.668 114 H2* U 11 H2' U 11 -9.677 9.505 8.604 115 2HO* U 11 2HO' U 11 -9.308 10.195 10.566 116 H1* U 11 H1' U 11 -10.567 7.408 10.188 117 H3 U 11 H3 U 11 -8.019 5.716 6.745 118 H5 U 11 H5 U 11 -11.902 6.190 5.152 119 H6 U 11 H6 U 11 -12.504 7.388 7.177 120 1H5* C 12 H5' C 12 -9.860 12.687 10.041 121 2H5* C 12 H5'' C 12 -9.815 14.425 9.678 122 H4* C 12 H4' C 12 -7.547 13.726 9.711 123 H3* C 12 H3' C 12 -8.581 13.873 6.837 124 H2* C 12 H2' C 12 -6.379 13.207 6.108 125 2HO* C 12 2HO' C 12 -4.609 13.431 7.399 126 H1* C 12 H1' C 12 -5.955 11.297 8.087 127 1H4 C 12 H41 C 12 -8.095 8.271 2.894 128 2H4 C 12 H42 C 12 -9.743 8.425 3.464 129 H5 C 12 H5 C 12 -10.342 9.882 5.366 130 H6 C 12 H6 C 12 -9.445 11.268 7.168 131 1H5* U 13 H5' U 13 -5.502 16.726 5.627 132 2H5* U 13 H5'' U 13 -6.555 17.788 4.671 133 H4* U 13 H4' U 13 -4.764 16.230 3.489 134 H3* U 13 H3' U 13 -7.626 16.721 2.529 135 H2* U 13 H2' U 13 -7.133 15.260 0.664 136 2HO* U 13 2HO' U 13 -4.817 14.380 0.743 137 H1* U 13 H1' U 13 -5.935 13.282 2.137 138 H3 U 13 H3 U 13 -10.360 12.423 0.776 139 H5 U 13 H5 U 13 -10.421 13.552 4.841 140 H6 U 13 H6 U 13 -8.100 14.239 4.606 141 1H5* U 14 H5' U 14 -3.486 19.115 0.011 142 2H5* U 14 H5'' U 14 -4.421 19.471 -1.448 143 H4* U 14 H4' U 14 -2.263 19.043 -2.247 144 H3* U 14 H3' U 14 -4.156 17.180 -3.098 145 H2* U 14 H2' U 14 -3.494 15.363 -1.659 146 2HO* U 14 2HO' U 14 -1.740 14.217 -2.815 147 H1* U 14 H1' U 14 -0.567 16.153 -1.867 148 H3 U 14 H3 U 14 0.455 13.270 1.486 149 H5 U 14 H5 U 14 -3.405 14.623 2.534 150 H6 U 14 H6 U 14 -3.395 15.981 0.537 151 1H5* C 15 H5' C 15 -2.262 13.939 -5.031 152 2H5* C 15 H5'' C 15 -2.979 14.285 -6.614 153 H4* C 15 H4' C 15 -3.769 12.237 -4.915 154 H3* C 15 H3' C 15 -4.608 12.858 -7.452 155 H2* C 15 H2' C 15 -5.963 14.797 -6.697 156 2HO* C 15 2HO' C 15 -7.147 13.112 -7.963 157 H1* C 15 H1' C 15 -7.139 12.951 -4.576 158 1H4 C 15 H41 C 15 -9.528 18.916 -3.801 159 2H4 C 15 H42 C 15 -8.186 19.236 -2.727 160 H5 C 15 H5 C 15 -6.379 17.597 -2.362 161 H6 C 15 H6 C 15 -5.552 15.392 -2.948 162 1H5* G 16 H5' G 16 -4.727 7.502 -5.166 163 2H5* G 16 H5'' G 16 -4.899 8.006 -3.472 164 H4* G 16 H4' G 16 -2.547 8.307 -5.334 165 H3* G 16 H3' G 16 -2.899 7.446 -2.410 166 H2* G 16 H2' G 16 -0.607 8.132 -2.066 167 2HO* G 16 2HO' G 16 -0.129 8.953 -4.665 168 H1* G 16 H1' G 16 -0.803 10.507 -3.442 169 H8 G 16 H8 G 16 -0.209 9.984 -0.495 170 H1 G 16 H1 G 16 -6.283 11.935 0.143 171 1H2 G 16 H21 G 16 -7.347 11.769 -1.797 172 2H2 G 16 H22 G 16 -6.520 11.311 -3.269 173 1H5* G 17 H5' G 17 0.046 5.985 -3.113 174 2H5* G 17 H5'' G 17 0.869 4.507 -2.587 175 H4* G 17 H4' G 17 1.388 6.105 -0.933 176 H3* G 17 H3' G 17 -0.966 4.408 0.052 177 H2* G 17 H2' G 17 -0.809 5.667 2.119 178 2HO* G 17 2HO' G 17 1.767 5.889 1.297 179 H1* G 17 H1' G 17 -0.463 8.144 0.929 180 H8 G 17 H8 G 17 -2.825 5.598 -0.745 181 H1 G 17 H1 G 17 -5.677 9.638 3.328 182 1H2 G 17 H21 G 17 -4.156 10.820 4.416 183 2H2 G 17 H22 G 17 -2.459 10.761 3.991 184 1H5* A 18 H5' A 18 1.402 4.853 3.082 185 2H5* A 18 H5'' A 18 2.058 3.355 3.769 186 H4* A 18 H4' A 18 1.204 4.504 5.629 187 H3* A 18 H3' A 18 -0.959 2.560 4.660 188 H2* A 18 H2' A 18 -2.285 3.330 6.519 189 2HO* A 18 2HO' A 18 -1.293 4.556 8.206 190 H1* A 18 H1' A 18 -1.489 6.015 6.380 191 H8 A 18 H8 A 18 -2.428 4.290 3.052 192 1H6 A 18 H61 A 18 -8.143 6.416 4.162 193 2H6 A 18 H62 A 18 -7.107 5.618 2.999 194 H2 A 18 H2 A 18 -5.636 7.264 7.761 195 1H5* C 19 H5' C 19 -0.558 2.727 8.737 196 2H5* C 19 H5'' C 19 -0.509 1.139 9.529 197 H4* C 19 H4' C 19 -2.174 2.635 10.570 198 H3* C 19 H3' C 19 -3.287 0.192 9.106 199 H2* C 19 H2' C 19 -5.472 0.903 9.850 200 2HO* C 19 2HO' C 19 -4.133 1.682 11.955 201 H1* C 19 H1' C 19 -5.077 3.637 9.464 202 1H4 C 19 H41 C 19 -8.106 1.619 4.225 203 2H4 C 19 H42 C 19 -6.615 0.996 3.554 204 H5 C 19 H5 C 19 -4.546 0.832 4.885 205 H6 C 19 H6 C 19 -3.502 1.424 7.010 206 1H5* C 20 H5' C 20 -3.434 -1.202 13.826 207 2H5* C 20 H5'' C 20 -3.393 -2.962 13.587 208 H4* C 20 H4' C 20 -5.436 -1.930 14.803 209 H3* C 20 H3' C 20 -5.649 -3.913 12.487 210 H2* C 20 H2' C 20 -8.051 -3.757 12.658 211 2HO* C 20 2HO' C 20 -9.043 -2.921 14.468 212 H1* C 20 H1' C 20 -8.195 -1.025 13.001 213 1H4 C 20 H41 C 20 -8.796 -2.210 6.753 214 2H4 C 20 H42 C 20 -7.096 -1.859 6.529 215 H5 C 20 H5 C 20 -5.600 -1.351 8.416 216 H6 C 20 H6 C 20 -5.442 -1.210 10.845 217 1H5* G 21 H5' G 21 -7.739 -6.202 15.462 218 2H5* G 21 H5'' G 21 -7.160 -7.879 15.403 219 H4* G 21 H4' G 21 -9.497 -7.865 14.810 220 H3* G 21 H3' G 21 -7.712 -8.236 12.348 221 H2* G 21 H2' G 21 -9.778 -8.525 11.118 222 2HO* G 21 2HO' G 21 -10.578 -9.725 13.224 223 H1* G 21 H1' G 21 -11.186 -6.515 12.431 224 H8 G 21 H8 G 21 -7.509 -5.769 11.497 225 H1 G 21 H1 G 21 -11.801 -4.435 6.914 226 1H2 G 21 H21 G 21 -13.806 -5.179 7.513 227 2H2 G 21 H22 G 21 -14.102 -5.877 9.090 228 1H5* G 22 H5' G 22 -9.576 -12.373 13.501 229 2H5* G 22 H5'' G 22 -8.346 -13.631 13.254 230 H4* G 22 H4' G 22 -10.402 -14.219 12.075 231 H3* G 22 H3' G 22 -8.039 -13.447 10.296 232 H2* G 22 H2' G 22 -9.443 -13.844 8.373 233 2HO* G 22 2HO' G 22 -11.125 -15.189 8.463 234 H1* G 22 H1' G 22 -11.722 -12.640 9.356 235 H8 G 22 H8 G 22 -8.824 -10.546 10.561 236 H1 G 22 H1 G 22 -10.272 -9.578 4.376 237 1H2 G 22 H21 G 22 -11.686 -11.142 3.675 238 2H2 G 22 H22 G 22 -12.272 -12.406 4.732 239 1H5* C 23 H5' C 23 -8.546 -17.718 8.773 240 2H5* C 23 H5'' C 23 -6.951 -17.985 8.038 241 H4* C 23 H4' C 23 -9.120 -17.624 6.535 242 H3* C 23 H3' C 23 -6.341 -16.458 5.996 243 H2* C 23 H2' C 23 -7.276 -15.439 4.018 244 2HO* C 23 2HO' C 23 -8.467 -17.515 3.588 245 H1* C 23 H1' C 23 -9.736 -14.750 5.134 246 1H4 C 23 H41 C 23 -6.165 -9.477 5.240 247 2H4 C 23 H42 C 23 -5.441 -9.960 6.757 248 H5 C 23 H5 C 23 -6.046 -12.070 7.884 249 H6 C 23 H6 C 23 -7.255 -14.175 7.637 250 1H5* U 24 H5' U 24 -6.968 -19.182 2.560 251 2H5* U 24 H5'' U 24 -5.407 -19.819 2.002 252 H4* U 24 H4' U 24 -6.632 -18.240 0.413 253 H3* U 24 H3' U 24 -3.748 -17.745 1.288 254 H2* U 24 H2' U 24 -3.741 -15.725 -0.010 255 2HO* U 24 2HO' U 24 -6.268 -16.151 -1.132 256 H1* U 24 H1' U 24 -6.332 -14.897 0.557 257 H3 U 24 H3 U 24 -3.219 -12.045 2.432 258 H5 U 24 H5 U 24 -3.900 -15.073 5.289 259 H6 U 24 H6 U 24 -5.161 -16.282 3.600 260 1H5* U 25 H5' U 25 -4.433 -17.806 -2.956 261 2H5* U 25 H5'' U 25 -3.165 -18.458 -4.015 262 H4* U 25 H4' U 25 -3.918 -16.149 -4.629 263 H3* U 25 H3' U 25 -1.000 -16.612 -3.848 264 H2* U 25 H2' U 25 -0.593 -14.261 -4.204 265 2HO* U 25 2HO' U 25 -2.628 -13.073 -5.045 266 H1* U 25 H1' U 25 -2.894 -13.319 -3.009 267 H3 U 25 H3 U 25 0.594 -12.377 -0.176 268 H5 U 25 H5 U 25 -0.395 -16.402 0.604 269 H6 U 25 H6 U 25 -1.892 -16.327 -1.309 270 1H5* C 26 H5' C 26 -0.518 -14.540 -7.888 271 2H5* C 26 H5'' C 26 0.962 -15.312 -8.493 272 H4* C 26 H4' C 26 0.941 -12.730 -8.012 273 H3* C 26 H3' C 26 3.172 -14.639 -7.143 274 H2* C 26 H2' C 26 4.290 -12.743 -6.180 275 2HO* C 26 2HO' C 26 2.436 -11.121 -7.632 276 H1* C 26 H1' C 26 1.985 -11.409 -5.275 277 1H4 C 26 H41 C 26 4.582 -14.188 -0.167 278 2H4 C 26 H42 C 26 3.803 -15.705 -0.556 279 H5 C 26 H5 C 26 2.361 -15.968 -2.538 280 H6 C 26 H6 C 26 1.609 -14.902 -4.598 281 1H5* C 27 H5' C 27 5.872 -12.295 -8.467 282 2H5* C 27 H5'' C 27 6.413 -12.867 -10.058 283 H4* C 27 H4' C 27 8.438 -12.711 -8.936 284 H3* C 27 H3' C 27 7.391 -15.504 -8.269 285 H2* C 27 H2' C 27 9.411 -15.840 -7.026 286 2HO* C 27 2HO' C 27 10.295 -13.809 -8.721 287 H1* C 27 H1' C 27 9.457 -13.270 -5.919 288 1H4 C 27 H41 C 27 6.882 -17.146 -1.555 289 2H4 C 27 H42 C 27 5.286 -16.833 -2.200 290 H5 C 27 H5 C 27 4.927 -15.522 -4.252 291 H6 C 27 H6 C 27 6.037 -14.285 -6.038 292 H3T C 27 H3T C 27 8.908 -16.046 -9.831 Start of MODEL 8 1 1H5* G 1 H5' G 1 4.198 -12.689 12.461 2 2H5* G 1 H5'' G 1 3.629 -11.176 11.727 3 H4* G 1 H4' G 1 6.110 -11.642 11.486 4 H3* G 1 H3' G 1 4.366 -11.239 9.000 5 H2* G 1 H2' G 1 6.393 -11.457 7.690 6 2HO* G 1 2HO' G 1 8.435 -11.669 8.875 7 H1* G 1 H1' G 1 7.371 -13.650 9.010 8 H8 G 1 H8 G 1 3.543 -13.690 8.884 9 H1 G 1 H1 G 1 6.392 -16.155 3.688 10 1H2 G 1 H21 G 1 8.564 -15.701 3.724 11 2H2 G 1 H22 G 1 9.332 -14.981 5.121 12 H5T G 1 H5T G 1 2.211 -12.571 10.966 13 1H5* G 2 H5' G 2 7.965 -9.732 7.700 14 2H5* G 2 H5'' G 2 7.623 -8.026 7.359 15 H4* G 2 H4' G 2 8.616 -9.013 5.399 16 H3* G 2 H3' G 2 5.595 -8.623 5.035 17 H2* G 2 H2' G 2 5.957 -9.356 2.764 18 2HO* G 2 2HO' G 2 8.108 -9.476 1.927 19 H1* G 2 H1' G 2 7.895 -11.300 3.400 20 H8 G 2 H8 G 2 5.292 -12.105 5.838 21 H1 G 2 H1 G 2 3.324 -13.388 -0.129 22 1H2 G 2 H21 G 2 4.716 -12.476 -1.599 23 2H2 G 2 H22 G 2 6.005 -11.401 -1.105 24 1H5* A 3 H5' A 3 7.140 -7.153 1.840 25 2H5* A 3 H5'' A 3 6.824 -5.436 1.521 26 H4* A 3 H4' A 3 6.213 -6.486 -0.484 27 H3* A 3 H3' A 3 3.679 -6.208 1.219 28 H2* A 3 H2' A 3 2.489 -7.238 -0.600 29 2HO* A 3 2HO' A 3 3.510 -7.433 -2.672 30 H1* A 3 H1' A 3 4.513 -9.053 -1.321 31 H8 A 3 H8 A 3 3.740 -8.736 2.448 32 1H6 A 3 H61 A 3 -0.406 -13.235 1.473 33 2H6 A 3 H62 A 3 0.479 -12.346 2.690 34 H2 A 3 H2 A 3 1.247 -12.003 -2.490 35 1H5* A 4 H5' A 4 3.083 -5.440 -3.096 36 2H5* A 4 H5'' A 4 2.078 -3.981 -3.198 37 H4* A 4 H4' A 4 1.198 -5.879 -4.550 38 H3* A 4 H3' A 4 -0.527 -4.884 -2.223 39 H2* A 4 H2' A 4 -2.171 -6.507 -2.882 40 2HO* A 4 2HO' A 4 -0.744 -7.083 -5.261 41 H1* A 4 H1' A 4 -0.370 -8.521 -3.662 42 H8 A 4 H8 A 4 0.231 -6.709 -0.295 43 1H6 A 4 H61 A 4 -3.035 -11.364 2.175 44 2H6 A 4 H62 A 4 -2.090 -9.934 2.519 45 H2 A 4 H2 A 4 -3.199 -11.771 -2.273 46 1H5* G 5 H5' G 5 -2.632 -5.589 -6.047 47 2H5* G 5 H5'' G 5 -3.946 -4.408 -6.221 48 H4* G 5 H4' G 5 -4.573 -6.889 -6.391 49 H3* G 5 H3' G 5 -5.982 -4.981 -4.462 50 H2* G 5 H2' G 5 -7.322 -6.814 -3.709 51 2HO* G 5 2HO' G 5 -6.590 -8.743 -5.489 52 H1* G 5 H1' G 5 -5.366 -8.840 -3.973 53 H8 G 5 H8 G 5 -4.217 -5.673 -2.144 54 H1 G 5 H1 G 5 -7.060 -10.051 1.596 55 1H2 G 5 H21 G 5 -8.032 -11.607 0.339 56 2H2 G 5 H22 G 5 -7.797 -11.669 -1.394 57 1H5* U 6 H5' U 6 -9.064 -7.372 -5.332 58 2H5* U 6 H5'' U 6 -10.374 -6.333 -5.930 59 H4* U 6 H4' U 6 -11.130 -7.515 -3.948 60 H3* U 6 H3' U 6 -10.619 -4.533 -3.547 61 H2* U 6 H2' U 6 -10.983 -4.779 -1.223 62 2HO* U 6 2HO' U 6 -12.986 -5.509 -1.049 63 H1* U 6 H1' U 6 -10.510 -7.660 -1.095 64 H3 U 6 H3 U 6 -7.968 -6.403 2.456 65 H5 U 6 H5 U 6 -6.344 -4.179 -0.740 66 H6 U 6 H6 U 6 -8.118 -5.052 -2.153 67 1H5* U 7 H5' U 7 -12.713 -1.223 -4.697 68 2H5* U 7 H5'' U 7 -11.485 -2.383 -5.238 69 H4* U 7 H4' U 7 -12.012 -2.756 -2.410 70 H3* U 7 H3' U 7 -11.408 0.113 -3.282 71 H2* U 7 H2' U 7 -9.457 0.125 -1.982 72 2HO* U 7 2HO' U 7 -11.349 -0.566 -0.225 73 H1* U 7 H1' U 7 -9.577 -2.790 -1.321 74 H3 U 7 H3 U 7 -5.146 -1.462 -0.993 75 H5 U 7 H5 U 7 -6.008 -1.751 -5.113 76 H6 U 7 H6 U 7 -8.349 -2.025 -4.515 77 1H5* C 8 H5' C 8 -14.661 -4.453 -1.416 78 2H5* C 8 H5'' C 8 -15.671 -3.023 -1.133 79 H4* C 8 H4' C 8 -15.345 -4.211 0.954 80 H3* C 8 H3' C 8 -13.719 -1.612 0.845 81 H2* C 8 H2' C 8 -13.114 -2.095 3.120 82 2HO* C 8 2HO' C 8 -14.827 -4.276 3.408 83 H1* C 8 H1' C 8 -13.030 -4.915 2.801 84 1H4 C 8 H41 C 8 -6.928 -3.176 3.244 85 2H4 C 8 H42 C 8 -7.001 -2.224 1.777 86 H5 C 8 H5 C 8 -9.124 -1.787 0.605 87 H6 C 8 H6 C 8 -11.491 -2.396 0.485 88 1H5* G 9 H5' G 9 -17.489 -1.134 4.214 89 2H5* G 9 H5'' G 9 -17.249 0.596 4.537 90 H4* G 9 H4' G 9 -17.248 -1.120 6.527 91 H3* G 9 H3' G 9 -15.232 1.153 6.171 92 H2* G 9 H2' G 9 -14.186 0.421 8.224 93 2HO* G 9 2HO' G 9 -16.715 -0.525 8.664 94 H1* G 9 H1' G 9 -14.283 -2.286 7.695 95 H8 G 9 H8 G 9 -13.605 -0.276 4.512 96 H1 G 9 H1 G 9 -8.386 -1.445 8.059 97 1H2 G 9 H21 G 9 -8.972 -2.366 9.993 98 2H2 G 9 H22 G 9 -10.648 -2.555 10.457 99 1H5* G 10 H5' G 10 -16.712 2.950 10.126 100 2H5* G 10 H5'' G 10 -16.152 4.593 9.752 101 H4* G 10 H4' G 10 -14.892 3.113 11.551 102 H3* G 10 H3' G 10 -13.525 4.842 9.421 103 H2* G 10 H2' G 10 -11.421 4.147 10.415 104 2HO* G 10 2HO' G 10 -13.121 3.612 12.557 105 H1* G 10 H1' G 10 -12.081 1.485 10.643 106 H8 G 10 H8 G 10 -13.712 2.583 7.455 107 H1 G 10 H1 G 10 -7.354 1.936 6.887 108 1H2 G 10 H21 G 10 -6.419 1.838 8.901 109 2H2 G 10 H22 G 10 -7.382 1.705 10.357 110 1H5* U 11 H5' U 11 -12.325 7.762 12.974 111 2H5* U 11 H5'' U 11 -12.205 9.201 11.943 112 H4* U 11 H4' U 11 -10.040 8.191 13.041 113 H3* U 11 H3' U 11 -10.208 9.056 10.111 114 H2* U 11 H2' U 11 -7.830 8.516 10.029 115 2HO* U 11 2HO' U 11 -8.050 8.226 12.865 116 H1* U 11 H1' U 11 -8.046 6.134 11.394 117 H3 U 11 H3 U 11 -7.242 5.518 6.874 118 H5 U 11 H5 U 11 -11.437 5.564 7.342 119 H6 U 11 H6 U 11 -11.101 6.301 9.629 120 1H5* C 12 H5' C 12 -7.402 12.114 11.804 121 2H5* C 12 H5'' C 12 -8.036 13.710 11.348 122 H4* C 12 H4' C 12 -5.750 13.507 10.563 123 H3* C 12 H3' C 12 -7.865 13.375 8.362 124 H2* C 12 H2' C 12 -6.071 13.149 6.756 125 2HO* C 12 2HO' C 12 -4.798 14.663 8.484 126 H1* C 12 H1' C 12 -4.542 11.378 8.214 127 1H4 C 12 H41 C 12 -8.165 7.864 4.331 128 2H4 C 12 H42 C 12 -9.309 7.610 5.631 129 H5 C 12 H5 C 12 -9.235 8.923 7.720 130 H6 C 12 H6 C 12 -7.930 10.547 9.003 131 1H5* U 13 H5' U 13 -6.746 17.461 6.617 132 2H5* U 13 H5'' U 13 -8.323 17.598 5.810 133 H4* U 13 H4' U 13 -6.127 16.875 4.470 134 H3* U 13 H3' U 13 -8.937 15.702 4.108 135 H2* U 13 H2' U 13 -7.970 14.328 2.352 136 2HO* U 13 2HO' U 13 -5.382 15.260 2.661 137 H1* U 13 H1' U 13 -5.803 13.512 3.814 138 H3 U 13 H3 U 13 -8.984 10.139 3.819 139 H5 U 13 H5 U 13 -9.996 12.668 7.039 140 H6 U 13 H6 U 13 -8.300 14.220 6.253 141 1H5* U 14 H5' U 14 -10.262 16.182 -0.174 142 2H5* U 14 H5'' U 14 -8.649 16.429 0.500 143 H4* U 14 H4' U 14 -10.396 18.638 -0.608 144 H3* U 14 H3' U 14 -9.084 16.791 -2.260 145 H2* U 14 H2' U 14 -6.840 17.399 -1.791 146 2HO* U 14 2HO' U 14 -7.068 18.138 -3.886 147 H1* U 14 H1' U 14 -7.457 20.294 -1.259 148 H3 U 14 H3 U 14 -3.013 20.001 -0.081 149 H5 U 14 H5 U 14 -4.979 17.261 2.471 150 H6 U 14 H6 U 14 -7.014 17.745 1.280 151 1H5* C 15 H5' C 15 -10.008 16.014 -6.185 152 2H5* C 15 H5'' C 15 -11.361 15.582 -5.122 153 H4* C 15 H4' C 15 -9.692 13.724 -5.976 154 H3* C 15 H3' C 15 -11.450 13.608 -3.844 155 H2* C 15 H2' C 15 -9.831 14.605 -2.277 156 2HO* C 15 2HO' C 15 -10.631 12.280 -1.813 157 H1* C 15 H1' C 15 -7.838 12.628 -3.505 158 1H4 C 15 H41 C 15 -3.238 16.376 -1.027 159 2H4 C 15 H42 C 15 -4.134 16.316 0.474 160 H5 C 15 H5 C 15 -6.479 15.567 0.560 161 H6 C 15 H6 C 15 -8.236 14.439 -0.659 162 1H5* G 16 H5' G 16 -8.856 8.552 -2.606 163 2H5* G 16 H5'' G 16 -8.901 10.317 -2.418 164 H4* G 16 H4' G 16 -8.178 9.639 -5.140 165 H3* G 16 H3' G 16 -6.419 8.389 -2.958 166 H2* G 16 H2' G 16 -4.557 8.929 -4.436 167 2HO* G 16 2HO' G 16 -5.017 9.817 -6.524 168 H1* G 16 H1' G 16 -5.414 11.494 -4.923 169 H8 G 16 H8 G 16 -2.910 10.522 -3.524 170 H1 G 16 H1 G 16 -6.174 12.317 1.689 171 1H2 G 16 H21 G 16 -8.337 12.515 1.201 172 2H2 G 16 H22 G 16 -8.977 12.032 -0.353 173 1H5* G 17 H5' G 17 -3.404 5.584 -5.134 174 2H5* G 17 H5'' G 17 -3.671 4.400 -3.846 175 H4* G 17 H4' G 17 -1.867 6.473 -3.695 176 H3* G 17 H3' G 17 -3.369 5.047 -1.429 177 H2* G 17 H2' G 17 -2.205 6.551 0.090 178 2HO* G 17 2HO' G 17 -0.204 6.902 -0.583 179 H1* G 17 H1' G 17 -2.726 8.823 -1.334 180 H8 G 17 H8 G 17 -5.555 6.392 -1.877 181 H1 G 17 H1 G 17 -5.952 9.457 3.742 182 1H2 G 17 H21 G 17 -4.058 10.518 4.160 183 2H2 G 17 H22 G 17 -2.784 10.646 2.968 184 1H5* A 18 H5' A 18 0.705 4.624 0.165 185 2H5* A 18 H5'' A 18 0.585 3.173 1.181 186 H4* A 18 H4' A 18 0.878 5.527 2.302 187 H3* A 18 H3' A 18 -1.163 3.434 3.225 188 H2* A 18 H2' A 18 -1.746 4.983 4.986 189 2HO* A 18 2HO' A 18 0.736 5.489 5.051 190 H1* A 18 H1' A 18 -1.602 7.291 3.426 191 H8 A 18 H8 A 18 -3.389 4.909 1.213 192 1H6 A 18 H61 A 18 -8.479 5.960 4.559 193 2H6 A 18 H62 A 18 -7.831 5.172 3.138 194 H2 A 18 H2 A 18 -4.992 7.571 6.844 195 1H5* C 19 H5' C 19 0.743 4.049 6.610 196 2H5* C 19 H5'' C 19 1.395 2.617 7.434 197 H4* C 19 H4' C 19 -0.144 3.611 8.951 198 H3* C 19 H3' C 19 -1.463 1.241 7.530 199 H2* C 19 H2' C 19 -3.386 1.677 8.943 200 2HO* C 19 2HO' C 19 -1.750 3.541 10.355 201 H1* C 19 H1' C 19 -3.299 4.441 8.734 202 1H4 C 19 H41 C 19 -7.478 2.451 4.343 203 2H4 C 19 H42 C 19 -6.188 2.229 3.181 204 H5 C 19 H5 C 19 -3.811 2.311 3.831 205 H6 C 19 H6 C 19 -2.268 2.830 5.647 206 1H5* C 20 H5' C 20 -0.392 -0.887 11.817 207 2H5* C 20 H5'' C 20 -0.425 -2.564 11.233 208 H4* C 20 H4' C 20 -2.180 -1.766 13.019 209 H3* C 20 H3' C 20 -2.807 -3.460 10.552 210 H2* C 20 H2' C 20 -5.130 -3.440 11.214 211 2HO* C 20 2HO' C 20 -5.237 -3.720 13.342 212 H1* C 20 H1' C 20 -5.261 -0.775 11.913 213 1H4 C 20 H41 C 20 -7.041 -1.323 5.797 214 2H4 C 20 H42 C 20 -5.426 -0.881 5.292 215 H5 C 20 H5 C 20 -3.605 -0.490 6.903 216 H6 C 20 H6 C 20 -2.983 -0.585 9.259 217 1H5* G 21 H5' G 21 -5.036 -5.614 13.559 218 2H5* G 21 H5'' G 21 -4.764 -7.324 13.174 219 H4* G 21 H4' G 21 -7.158 -6.677 13.039 220 H3* G 21 H3' G 21 -5.835 -7.510 10.406 221 H2* G 21 H2' G 21 -8.065 -7.320 9.450 222 2HO* G 21 2HO' G 21 -9.855 -6.879 10.913 223 H1* G 21 H1' G 21 -8.687 -4.935 10.671 224 H8 G 21 H8 G 21 -4.997 -5.177 9.649 225 H1 G 21 H1 G 21 -8.943 -3.283 4.962 226 1H2 G 21 H21 G 21 -11.054 -3.607 5.567 227 2H2 G 21 H22 G 21 -11.480 -4.059 7.203 228 1H5* G 22 H5' G 22 -8.543 -10.742 12.008 229 2H5* G 22 H5'' G 22 -7.935 -12.400 11.832 230 H4* G 22 H4' G 22 -10.147 -12.261 10.857 231 H3* G 22 H3' G 22 -7.890 -12.490 8.806 232 H2* G 22 H2' G 22 -9.563 -12.444 7.069 233 2HO* G 22 2HO' G 22 -11.807 -12.636 7.651 234 H1* G 22 H1' G 22 -11.151 -10.470 8.173 235 H8 G 22 H8 G 22 -7.559 -9.474 8.821 236 H1 G 22 H1 G 22 -9.511 -8.328 2.805 237 1H2 G 22 H21 G 22 -11.480 -9.290 2.451 238 2H2 G 22 H22 G 22 -12.263 -10.275 3.665 239 1H5* C 23 H5' C 23 -10.144 -16.338 7.453 240 2H5* C 23 H5'' C 23 -8.715 -17.160 6.791 241 H4* C 23 H4' C 23 -10.642 -16.361 5.182 242 H3* C 23 H3' C 23 -7.651 -15.971 4.647 243 H2* C 23 H2' C 23 -8.280 -14.931 2.562 244 2HO* C 23 2HO' C 23 -10.597 -15.054 1.957 245 H1* C 23 H1' C 23 -10.492 -13.550 3.538 246 1H4 C 23 H41 C 23 -5.752 -9.298 3.465 247 2H4 C 23 H42 C 23 -5.103 -9.931 4.962 248 H5 C 23 H5 C 23 -6.140 -11.832 6.143 249 H6 C 23 H6 C 23 -7.842 -13.574 5.987 250 1H5* U 24 H5' U 24 -8.525 -19.414 1.440 251 2H5* U 24 H5'' U 24 -6.900 -20.126 1.363 252 H4* U 24 H4' U 24 -7.878 -18.964 -0.758 253 H3* U 24 H3' U 24 -5.057 -18.493 0.325 254 H2* U 24 H2' U 24 -4.707 -16.938 -1.488 255 2HO* U 24 2HO' U 24 -5.713 -17.212 -3.344 256 H1* U 24 H1' U 24 -7.160 -15.696 -1.360 257 H3 U 24 H3 U 24 -3.727 -12.991 0.185 258 H5 U 24 H5 U 24 -5.289 -14.996 3.553 259 H6 U 24 H6 U 24 -6.569 -16.395 2.033 260 1H5* U 25 H5' U 25 -4.317 -19.906 -4.139 261 2H5* U 25 H5'' U 25 -2.617 -20.402 -4.018 262 H4* U 25 H4' U 25 -3.341 -18.353 -5.549 263 H3* U 25 H3' U 25 -0.854 -18.515 -3.778 264 H2* U 25 H2' U 25 -0.312 -16.263 -4.456 265 2HO* U 25 2HO' U 25 -0.674 -16.161 -6.589 266 H1* U 25 H1' U 25 -2.872 -15.229 -4.301 267 H3 U 25 H3 U 25 -0.469 -13.526 -0.781 268 H5 U 25 H5 U 25 -1.765 -17.327 0.509 269 H6 U 25 H6 U 25 -2.547 -17.744 -1.755 270 1H5* C 26 H5' C 26 1.567 -17.864 -7.599 271 2H5* C 26 H5'' C 26 2.901 -18.974 -7.221 272 H4* C 26 H4' C 26 3.389 -16.420 -7.369 273 H3* C 26 H3' C 26 4.330 -18.207 -5.071 274 H2* C 26 H2' C 26 5.318 -16.274 -4.059 275 2HO* C 26 2HO' C 26 5.053 -14.327 -5.819 276 H1* C 26 H1' C 26 3.368 -14.402 -4.870 277 1H4 C 26 H41 C 26 2.373 -15.597 1.308 278 2H4 C 26 H42 C 26 1.383 -16.983 0.905 279 H5 C 26 H5 C 26 1.005 -17.693 -1.423 280 H6 C 26 H6 C 26 1.655 -17.315 -3.744 281 1H5* C 27 H5' C 27 8.430 -19.218 -4.293 282 2H5* C 27 H5'' C 27 6.969 -18.761 -3.395 283 H4* C 27 H4' C 27 9.445 -17.016 -3.597 284 H3* C 27 H3' C 27 8.606 -19.023 -1.458 285 H2* C 27 H2' C 27 9.513 -17.532 0.191 286 2HO* C 27 2HO' C 27 11.060 -16.787 -1.896 287 H1* C 27 H1' C 27 8.428 -15.240 -0.896 288 1H4 C 27 H41 C 27 4.328 -17.591 3.429 289 2H4 C 27 H42 C 27 3.337 -18.195 2.119 290 H5 C 27 H5 C 27 4.047 -18.065 -0.236 291 H6 C 27 H6 C 27 5.857 -17.399 -1.731 292 H3T C 27 H3T C 27 11.223 -18.369 -1.699 Start of MODEL 9 1 1H5* G 1 H5' G 1 9.835 -13.566 10.413 2 2H5* G 1 H5'' G 1 8.744 -12.571 11.398 3 H4* G 1 H4' G 1 8.856 -11.492 9.291 4 H3* G 1 H3' G 1 6.304 -13.143 9.557 5 H2* G 1 H2' G 1 5.741 -12.642 7.302 6 2HO* G 1 2HO' G 1 7.510 -10.452 7.708 7 H1* G 1 H1' G 1 8.340 -12.495 6.236 8 H8 G 1 H8 G 1 5.811 -14.899 7.911 9 H1 G 1 H1 G 1 9.032 -17.330 2.918 10 1H2 G 1 H21 G 1 10.656 -15.936 2.314 11 2H2 G 1 H22 G 1 10.805 -14.339 3.012 12 H5T G 1 H5T G 1 8.537 -15.150 10.743 13 1H5* G 2 H5' G 2 6.492 -8.277 8.820 14 2H5* G 2 H5'' G 2 4.839 -7.632 8.737 15 H4* G 2 H4' G 2 6.533 -6.942 6.892 16 H3* G 2 H3' G 2 3.692 -7.917 6.376 17 H2* G 2 H2' G 2 4.099 -7.857 4.006 18 2HO* G 2 2HO' G 2 6.656 -6.722 4.320 19 H1* G 2 H1' G 2 6.637 -8.915 4.014 20 H8 G 2 H8 G 2 4.724 -10.673 6.739 21 H1 G 2 H1 G 2 3.325 -12.844 0.863 22 1H2 G 2 H21 G 2 4.248 -11.528 -0.670 23 2H2 G 2 H22 G 2 5.029 -10.021 -0.243 24 1H5* A 3 H5' A 3 3.697 -3.907 4.126 25 2H5* A 3 H5'' A 3 1.963 -3.580 3.923 26 H4* A 3 H4' A 3 3.481 -4.247 1.848 27 H3* A 3 H3' A 3 0.638 -5.239 2.398 28 H2* A 3 H2' A 3 0.804 -6.547 0.376 29 2HO* A 3 2HO' A 3 2.786 -4.645 -0.172 30 H1* A 3 H1' A 3 3.424 -7.382 0.726 31 H8 A 3 H8 A 3 1.793 -7.558 4.114 32 1H6 A 3 H61 A 3 -0.539 -13.014 2.329 33 2H6 A 3 H62 A 3 -0.400 -11.880 3.654 34 H2 A 3 H2 A 3 1.177 -11.006 -1.274 35 1H5* A 4 H5' A 4 0.510 -3.662 -1.608 36 2H5* A 4 H5'' A 4 -1.062 -2.903 -1.937 37 H4* A 4 H4' A 4 -0.528 -4.874 -3.403 38 H3* A 4 H3' A 4 -3.017 -4.920 -1.634 39 H2* A 4 H2' A 4 -3.508 -7.126 -2.468 40 2HO* A 4 2HO' A 4 -2.892 -7.725 -4.428 41 H1* A 4 H1' A 4 -0.928 -8.114 -2.442 42 H8 A 4 H8 A 4 -1.423 -5.944 0.633 43 1H6 A 4 H61 A 4 -3.874 -10.971 3.300 44 2H6 A 4 H62 A 4 -3.424 -9.299 3.542 45 H2 A 4 H2 A 4 -3.381 -11.824 -1.058 46 1H5* G 5 H5' G 5 -3.939 -6.125 -5.344 47 2H5* G 5 H5'' G 5 -5.472 -5.631 -6.090 48 H4* G 5 H4' G 5 -5.290 -8.088 -5.883 49 H3* G 5 H3' G 5 -7.451 -6.703 -4.223 50 H2* G 5 H2' G 5 -8.069 -8.833 -3.329 51 2HO* G 5 2HO' G 5 -6.472 -10.154 -5.271 52 H1* G 5 H1' G 5 -5.494 -9.993 -3.299 53 H8 G 5 H8 G 5 -5.636 -6.493 -1.769 54 H1 G 5 H1 G 5 -7.204 -11.231 2.269 55 1H2 G 5 H21 G 5 -7.506 -13.123 1.136 56 2H2 G 5 H22 G 5 -7.117 -13.248 -0.564 57 1H5* U 6 H5' U 6 -9.666 -9.986 -4.749 58 2H5* U 6 H5'' U 6 -11.066 -9.419 -5.681 59 H4* U 6 H4' U 6 -11.941 -10.326 -3.658 60 H3* U 6 H3' U 6 -11.825 -7.276 -3.566 61 H2* U 6 H2' U 6 -12.555 -7.330 -1.306 62 2HO* U 6 2HO' U 6 -14.380 -8.450 -1.298 63 H1* U 6 H1' U 6 -11.549 -9.948 -0.653 64 H3 U 6 H3 U 6 -9.542 -7.563 2.650 65 H5 U 6 H5 U 6 -8.017 -5.827 -0.880 66 H6 U 6 H6 U 6 -9.525 -7.253 -2.142 67 1H5* U 7 H5' U 7 -15.043 -4.695 -5.169 68 2H5* U 7 H5'' U 7 -13.558 -5.237 -5.977 69 H4* U 7 H4' U 7 -13.846 -5.832 -3.060 70 H3* U 7 H3' U 7 -13.467 -3.018 -4.166 71 H2* U 7 H2' U 7 -11.629 -2.656 -2.682 72 2HO* U 7 2HO' U 7 -12.703 -3.385 -0.814 73 H1* U 7 H1' U 7 -10.553 -5.232 -2.689 74 H3 U 7 H3 U 7 -10.538 -2.655 -7.343 75 H5 U 7 H5 U 7 -7.132 -3.031 -4.881 76 H6 U 7 H6 U 7 -8.536 -4.141 -3.235 77 1H5* C 8 H5' C 8 -15.019 -5.162 -1.160 78 2H5* C 8 H5'' C 8 -16.509 -6.110 -1.006 79 H4* C 8 H4' C 8 -17.212 -4.888 0.905 80 H3* C 8 H3' C 8 -14.981 -2.887 0.244 81 H2* C 8 H2' C 8 -14.879 -2.460 2.624 82 2HO* C 8 2HO' C 8 -17.476 -3.354 2.453 83 H1* C 8 H1' C 8 -15.135 -5.123 3.404 84 1H4 C 8 H41 C 8 -8.905 -3.707 3.375 85 2H4 C 8 H42 C 8 -8.793 -4.113 1.677 86 H5 C 8 H5 C 8 -10.786 -4.535 0.294 87 H6 C 8 H6 C 8 -13.206 -4.816 0.334 88 1H5* G 9 H5' G 9 -18.163 -0.632 2.922 89 2H5* G 9 H5'' G 9 -17.629 1.048 2.718 90 H4* G 9 H4' G 9 -17.485 -0.198 5.084 91 H3* G 9 H3' G 9 -15.384 1.721 3.934 92 H2* G 9 H2' G 9 -14.197 1.405 6.024 93 2HO* G 9 2HO' G 9 -16.476 -0.034 6.960 94 H1* G 9 H1' G 9 -14.623 -1.331 6.185 95 H8 G 9 H8 G 9 -13.892 -0.360 2.578 96 H1 G 9 H1 G 9 -8.653 -0.875 6.253 97 1H2 G 9 H21 G 9 -9.239 -1.082 8.386 98 2H2 G 9 H22 G 9 -10.913 -1.058 8.895 99 1H5* G 10 H5' G 10 -16.564 3.909 7.872 100 2H5* G 10 H5'' G 10 -15.724 5.455 7.639 101 H4* G 10 H4' G 10 -14.872 3.637 9.415 102 H3* G 10 H3' G 10 -13.102 5.387 7.624 103 H2* G 10 H2' G 10 -11.214 4.331 8.737 104 2HO* G 10 2HO' G 10 -13.087 2.989 10.414 105 H1* G 10 H1' G 10 -12.177 1.772 8.532 106 H8 G 10 H8 G 10 -13.384 3.500 5.425 107 H1 G 10 H1 G 10 -7.146 2.067 5.181 108 1H2 G 10 H21 G 10 -6.380 1.618 7.211 109 2H2 G 10 H22 G 10 -7.460 1.419 8.576 110 1H5* U 11 H5' U 11 -11.142 5.616 11.210 111 2H5* U 11 H5'' U 11 -11.105 7.313 11.727 112 H4* U 11 H4' U 11 -8.869 6.467 11.871 113 H3* U 11 H3' U 11 -9.170 8.187 9.361 114 H2* U 11 H2' U 11 -6.764 7.848 9.129 115 2HO* U 11 2HO' U 11 -5.519 7.203 10.814 116 H1* U 11 H1' U 11 -6.806 5.157 9.773 117 H3 U 11 H3 U 11 -5.857 5.575 5.295 118 H5 U 11 H5 U 11 -10.065 5.808 5.573 119 H6 U 11 H6 U 11 -9.816 5.959 7.982 120 1H5* C 12 H5' C 12 -6.497 10.180 11.776 121 2H5* C 12 H5'' C 12 -6.857 11.846 12.273 122 H4* C 12 H4' C 12 -4.731 12.013 11.292 123 H3* C 12 H3' C 12 -6.838 12.675 9.176 124 H2* C 12 H2' C 12 -5.032 13.019 7.612 125 2HO* C 12 2HO' C 12 -3.657 13.464 9.982 126 H1* C 12 H1' C 12 -3.478 10.860 8.434 127 1H4 C 12 H41 C 12 -6.831 8.872 3.397 128 2H4 C 12 H42 C 12 -8.159 8.405 4.434 129 H5 C 12 H5 C 12 -8.259 9.052 6.810 130 H6 C 12 H6 C 12 -7.011 10.059 8.653 131 1H5* U 13 H5' U 13 -5.238 16.744 8.501 132 2H5* U 13 H5'' U 13 -6.779 17.393 7.903 133 H4* U 13 H4' U 13 -4.807 16.775 6.227 134 H3* U 13 H3' U 13 -7.785 16.204 5.779 135 H2* U 13 H2' U 13 -7.139 15.288 3.620 136 2HO* U 13 2HO' U 13 -4.967 16.903 4.091 137 H1* U 13 H1' U 13 -5.037 13.798 4.577 138 H3 U 13 H3 U 13 -8.661 11.039 3.759 139 H5 U 13 H5 U 13 -9.149 12.440 7.708 140 H6 U 13 H6 U 13 -7.301 13.969 7.311 141 1H5* U 14 H5' U 14 -6.220 20.177 2.751 142 2H5* U 14 H5'' U 14 -7.883 20.578 2.301 143 H4* U 14 H4' U 14 -6.853 20.768 0.253 144 H3* U 14 H3' U 14 -8.321 18.371 0.304 145 H2* U 14 H2' U 14 -6.418 16.890 0.475 146 2HO* U 14 2HO' U 14 -5.805 16.351 -1.694 147 H1* U 14 H1' U 14 -4.791 18.771 -1.278 148 H3 U 14 H3 U 14 -0.969 16.472 -0.488 149 H5 U 14 H5 U 14 -3.157 15.890 3.075 150 H6 U 14 H6 U 14 -4.939 17.220 2.114 151 1H5* C 15 H5' C 15 -7.426 16.464 -3.302 152 2H5* C 15 H5'' C 15 -9.019 16.612 -4.069 153 H4* C 15 H4' C 15 -7.998 14.246 -3.212 154 H3* C 15 H3' C 15 -10.492 14.823 -4.214 155 H2* C 15 H2' C 15 -11.384 15.680 -2.084 156 2HO* C 15 2HO' C 15 -11.951 12.995 -2.663 157 H1* C 15 H1' C 15 -10.163 13.276 -0.683 158 1H4 C 15 H41 C 15 -12.704 17.297 3.689 159 2H4 C 15 H42 C 15 -11.134 18.061 3.797 160 H5 C 15 H5 C 15 -9.301 17.519 2.241 161 H6 C 15 H6 C 15 -8.609 16.068 0.425 162 1H5* G 16 H5' G 16 -7.268 9.798 -2.982 163 2H5* G 16 H5'' G 16 -7.472 11.474 -2.432 164 H4* G 16 H4' G 16 -6.572 11.257 -5.232 165 H3* G 16 H3' G 16 -4.794 10.167 -2.986 166 H2* G 16 H2' G 16 -2.936 11.218 -4.135 167 2HO* G 16 2HO' G 16 -4.815 11.779 -6.219 168 H1* G 16 H1' G 16 -4.217 13.608 -4.581 169 H8 G 16 H8 G 16 -1.744 13.025 -2.934 170 H1 G 16 H1 G 16 -5.875 13.558 1.941 171 1H2 G 16 H21 G 16 -7.960 13.442 1.186 172 2H2 G 16 H22 G 16 -8.315 13.038 -0.478 173 1H5* G 17 H5' G 17 -0.585 9.438 -5.426 174 2H5* G 17 H5'' G 17 -1.144 7.772 -5.176 175 H4* G 17 H4' G 17 0.659 8.944 -3.555 176 H3* G 17 H3' G 17 -1.533 6.971 -2.737 177 H2* G 17 H2' G 17 -0.743 7.222 -0.463 178 2HO* G 17 2HO' G 17 1.498 8.485 -1.702 179 H1* G 17 H1' G 17 -0.360 9.968 -0.548 180 H8 G 17 H8 G 17 -3.392 8.260 -2.275 181 H1 G 17 H1 G 17 -4.558 10.648 3.554 182 1H2 G 17 H21 G 17 -2.683 11.365 4.470 183 2H2 G 17 H22 G 17 -1.182 11.448 3.574 184 1H5* A 18 H5' A 18 2.258 5.525 -0.589 185 2H5* A 18 H5'' A 18 1.902 3.792 -0.450 186 H4* A 18 H4' A 18 2.176 5.151 1.727 187 H3* A 18 H3' A 18 -0.290 3.399 1.225 188 H2* A 18 H2' A 18 -0.977 3.990 3.460 189 2HO* A 18 2HO' A 18 1.727 4.857 3.738 190 H1* A 18 H1' A 18 -0.119 6.649 3.352 191 H8 A 18 H8 A 18 -1.996 5.406 0.232 192 1H6 A 18 H61 A 18 -7.142 7.186 3.171 193 2H6 A 18 H62 A 18 -6.453 6.758 1.621 194 H2 A 18 H2 A 18 -3.725 7.571 6.035 195 1H5* C 19 H5' C 19 1.571 2.401 5.003 196 2H5* C 19 H5'' C 19 1.339 0.689 5.408 197 H4* C 19 H4' C 19 0.431 2.393 7.077 198 H3* C 19 H3' C 19 -1.401 0.249 5.893 199 H2* C 19 H2' C 19 -3.115 1.127 7.384 200 2HO* C 19 2HO' C 19 -1.118 2.825 8.505 201 H1* C 19 H1' C 19 -2.597 3.787 6.885 202 1H4 C 19 H41 C 19 -7.107 2.204 2.684 203 2H4 C 19 H42 C 19 -5.913 1.547 1.584 204 H5 C 19 H5 C 19 -3.504 1.538 2.120 205 H6 C 19 H6 C 19 -1.866 1.935 3.883 206 1H5* C 20 H5' C 20 -0.689 -0.966 10.209 207 2H5* C 20 H5'' C 20 -0.717 -2.734 10.367 208 H4* C 20 H4' C 20 -2.534 -1.517 11.628 209 H3* C 20 H3' C 20 -3.264 -3.599 9.509 210 H2* C 20 H2' C 20 -5.583 -3.191 10.018 211 2HO* C 20 2HO' C 20 -5.630 -1.446 11.960 212 H1* C 20 H1' C 20 -5.397 -0.432 10.279 213 1H4 C 20 H41 C 20 -7.384 -1.558 4.337 214 2H4 C 20 H42 C 20 -5.730 -1.615 3.771 215 H5 C 20 H5 C 20 -3.813 -1.337 5.298 216 H6 C 20 H6 C 20 -3.146 -1.167 7.640 217 1H5* G 21 H5' G 21 -5.379 -4.829 12.737 218 2H5* G 21 H5'' G 21 -5.131 -6.526 13.198 219 H4* G 21 H4' G 21 -7.444 -6.384 12.827 220 H3* G 21 H3' G 21 -6.135 -7.375 10.245 221 H2* G 21 H2' G 21 -8.336 -7.447 9.287 222 2HO* G 21 2HO' G 21 -9.215 -7.300 11.999 223 H1* G 21 H1' G 21 -9.346 -5.160 10.564 224 H8 G 21 H8 G 21 -5.852 -5.209 8.855 225 H1 G 21 H1 G 21 -10.699 -3.093 5.216 226 1H2 G 21 H21 G 21 -12.617 -3.283 6.321 227 2H2 G 21 H22 G 21 -12.702 -4.014 7.909 228 1H5* G 22 H5' G 22 -7.965 -11.429 12.546 229 2H5* G 22 H5'' G 22 -7.221 -12.726 11.586 230 H4* G 22 H4' G 22 -9.822 -12.600 11.743 231 H3* G 22 H3' G 22 -8.246 -13.005 9.159 232 H2* G 22 H2' G 22 -10.322 -12.987 7.936 233 2HO* G 22 2HO' G 22 -12.220 -12.719 9.724 234 H1* G 22 H1' G 22 -11.524 -10.901 9.286 235 H8 G 22 H8 G 22 -8.001 -9.756 9.114 236 H1 G 22 H1 G 22 -10.882 -9.536 3.379 237 1H2 G 22 H21 G 22 -12.768 -10.710 3.432 238 2H2 G 22 H22 G 22 -13.386 -11.398 4.916 239 1H5* C 23 H5' C 23 -10.635 -16.509 8.217 240 2H5* C 23 H5'' C 23 -9.345 -17.722 8.091 241 H4* C 23 H4' C 23 -10.553 -17.500 5.968 242 H3* C 23 H3' C 23 -7.662 -16.499 5.960 243 H2* C 23 H2' C 23 -7.950 -15.972 3.620 244 2HO* C 23 2HO' C 23 -9.064 -17.980 3.170 245 H1* C 23 H1' C 23 -10.505 -14.931 3.817 246 1H4 C 23 H41 C 23 -6.664 -9.867 4.198 247 2H4 C 23 H42 C 23 -6.329 -10.188 5.885 248 H5 C 23 H5 C 23 -7.332 -12.100 7.080 249 H6 C 23 H6 C 23 -8.634 -14.146 6.809 250 1H5* U 24 H5' U 24 -7.486 -19.982 2.980 251 2H5* U 24 H5'' U 24 -5.763 -20.402 2.890 252 H4* U 24 H4' U 24 -6.971 -19.264 0.833 253 H3* U 24 H3' U 24 -4.188 -18.568 1.887 254 H2* U 24 H2' U 24 -4.051 -16.838 0.232 255 2HO* U 24 2HO' U 24 -6.105 -18.365 -0.999 256 H1* U 24 H1' U 24 -6.737 -16.041 0.297 257 H3 U 24 H3 U 24 -4.046 -12.580 1.704 258 H5 U 24 H5 U 24 -4.720 -14.962 5.119 259 H6 U 24 H6 U 24 -5.734 -16.626 3.666 260 1H5* U 25 H5' U 25 -3.924 -19.489 -2.863 261 2H5* U 25 H5'' U 25 -2.268 -20.128 -2.925 262 H4* U 25 H4' U 25 -2.912 -18.125 -4.469 263 H3* U 25 H3' U 25 -0.382 -18.276 -2.766 264 H2* U 25 H2' U 25 0.204 -16.059 -3.505 265 2HO* U 25 2HO' U 25 -0.878 -16.826 -5.719 266 H1* U 25 H1' U 25 -2.310 -14.935 -3.336 267 H3 U 25 H3 U 25 0.178 -13.261 0.144 268 H5 U 25 H5 U 25 -1.219 -17.006 1.491 269 H6 U 25 H6 U 25 -2.029 -17.429 -0.761 270 1H5* C 26 H5' C 26 1.428 -17.279 -6.693 271 2H5* C 26 H5'' C 26 3.056 -17.978 -6.589 272 H4* C 26 H4' C 26 2.773 -15.375 -6.611 273 H3* C 26 H3' C 26 4.571 -16.903 -4.663 274 H2* C 26 H2' C 26 5.161 -14.801 -3.672 275 2HO* C 26 2HO' C 26 5.630 -13.695 -5.581 276 H1* C 26 H1' C 26 2.648 -13.551 -3.965 277 1H4 C 26 H41 C 26 3.070 -15.266 2.156 278 2H4 C 26 H42 C 26 2.643 -16.917 1.765 279 H5 C 26 H5 C 26 2.177 -17.639 -0.545 280 H6 C 26 H6 C 26 2.260 -16.966 -2.889 281 1H5* C 27 H5' C 27 7.469 -13.810 -4.701 282 2H5* C 27 H5'' C 27 8.435 -14.487 -6.028 283 H4* C 27 H4' C 27 10.075 -14.181 -4.418 284 H3* C 27 H3' C 27 8.895 -16.932 -3.805 285 H2* C 27 H2' C 27 10.492 -17.099 -2.027 286 2HO* C 27 2HO' C 27 11.847 -14.819 -2.170 287 H1* C 27 H1' C 27 10.198 -14.461 -1.172 288 1H4 C 27 H41 C 27 6.489 -18.084 2.544 289 2H4 C 27 H42 C 27 5.135 -17.813 1.471 290 H5 C 27 H5 C 27 5.342 -16.470 -0.587 291 H6 C 27 H6 C 27 6.917 -15.349 -2.075 292 H3T C 27 H3T C 27 10.267 -16.322 -5.737 Start of MODEL 10 1 1H5* G 1 H5' G 1 8.372 -11.037 11.233 2 2H5* G 1 H5'' G 1 7.580 -9.722 10.342 3 H4* G 1 H4' G 1 9.786 -10.571 9.382 4 H3* G 1 H3' G 1 7.235 -10.498 7.693 5 H2* G 1 H2' G 1 8.540 -11.346 5.849 6 2HO* G 1 2HO' G 1 10.470 -10.012 7.077 7 H1* G 1 H1' G 1 9.924 -13.253 7.270 8 H8 G 1 H8 G 1 6.328 -12.842 8.536 9 H1 G 1 H1 G 1 6.973 -16.857 3.569 10 1H2 G 1 H21 G 1 9.024 -16.704 2.730 11 2H2 G 1 H22 G 1 10.255 -15.705 3.471 12 H5T G 1 H5T G 1 6.432 -11.852 11.066 13 1H5* G 2 H5' G 2 10.238 -10.117 4.779 14 2H5* G 2 H5'' G 2 10.106 -8.394 4.378 15 H4* G 2 H4' G 2 10.082 -9.386 2.273 16 H3* G 2 H3' G 2 7.134 -9.238 3.113 17 H2* G 2 H2' G 2 6.655 -10.157 0.932 18 2HO* G 2 2HO' G 2 9.327 -9.345 0.371 19 H1* G 2 H1' G 2 8.863 -11.898 0.866 20 H8 G 2 H8 G 2 7.385 -12.440 4.218 21 H1 G 2 H1 G 2 3.756 -14.945 -0.438 22 1H2 G 2 H21 G 2 4.447 -14.213 -2.415 23 2H2 G 2 H22 G 2 5.724 -13.028 -2.572 24 1H5* A 3 H5' A 3 7.508 -7.920 -0.353 25 2H5* A 3 H5'' A 3 7.027 -6.296 -0.884 26 H4* A 3 H4' A 3 5.974 -7.660 -2.454 27 H3* A 3 H3' A 3 3.967 -7.236 -0.179 28 H2* A 3 H2' A 3 2.441 -8.619 -1.416 29 2HO* A 3 2HO' A 3 3.079 -9.167 -3.674 30 H1* A 3 H1' A 3 4.362 -10.404 -2.437 31 H8 A 3 H8 A 3 4.471 -9.494 1.331 32 1H6 A 3 H61 A 3 1.006 -14.572 2.103 33 2H6 A 3 H62 A 3 1.830 -13.259 2.914 34 H2 A 3 H2 A 3 1.463 -13.870 -2.287 35 1H5* A 4 H5' A 4 2.538 -6.775 -4.242 36 2H5* A 4 H5'' A 4 1.212 -5.606 -4.408 37 H4* A 4 H4' A 4 0.751 -7.932 -5.313 38 H3* A 4 H3' A 4 -1.066 -6.729 -3.163 39 H2* A 4 H2' A 4 -2.395 -8.730 -3.311 40 2HO* A 4 2HO' A 4 -1.422 -8.666 -5.855 41 H1* A 4 H1' A 4 -0.276 -10.522 -3.622 42 H8 A 4 H8 A 4 0.312 -7.821 -0.953 43 1H6 A 4 H61 A 4 -2.454 -11.744 2.969 44 2H6 A 4 H62 A 4 -1.477 -10.298 2.841 45 H2 A 4 H2 A 4 -2.823 -13.427 -1.151 46 1H5* G 5 H5' G 5 -3.156 -8.164 -6.652 47 2H5* G 5 H5'' G 5 -4.723 -7.391 -6.967 48 H4* G 5 H4' G 5 -4.686 -9.940 -6.533 49 H3* G 5 H3' G 5 -6.556 -8.024 -5.057 50 H2* G 5 H2' G 5 -7.417 -9.902 -3.844 51 2HO* G 5 2HO' G 5 -7.660 -11.755 -4.847 52 H1* G 5 H1' G 5 -5.009 -11.360 -3.674 53 H8 G 5 H8 G 5 -4.398 -7.770 -2.674 54 H1 G 5 H1 G 5 -7.124 -11.293 1.950 55 1H2 G 5 H21 G 5 -7.852 -13.216 1.107 56 2H2 G 5 H22 G 5 -7.539 -13.675 -0.551 57 1H5* U 6 H5' U 6 -9.217 -10.647 -5.136 58 2H5* U 6 H5'' U 6 -10.613 -10.043 -6.047 59 H4* U 6 H4' U 6 -11.379 -10.482 -3.825 60 H3* U 6 H3' U 6 -10.910 -7.499 -4.295 61 H2* U 6 H2' U 6 -11.457 -7.094 -2.016 62 2HO* U 6 2HO' U 6 -13.007 -8.251 -1.002 63 H1* U 6 H1' U 6 -10.742 -9.715 -1.022 64 H3 U 6 H3 U 6 -8.490 -6.975 1.840 65 H5 U 6 H5 U 6 -6.633 -6.314 -1.891 66 H6 U 6 H6 U 6 -8.346 -7.709 -2.903 67 1H5* U 7 H5' U 7 -13.420 -4.279 -5.502 68 2H5* U 7 H5'' U 7 -12.386 -5.320 -6.502 69 H4* U 7 H4' U 7 -11.909 -5.396 -3.559 70 H3* U 7 H3' U 7 -11.262 -2.942 -5.268 71 H2* U 7 H2' U 7 -9.122 -2.852 -4.206 72 2HO* U 7 2HO' U 7 -10.077 -4.681 -2.245 73 H1* U 7 H1' U 7 -8.784 -5.638 -3.831 74 H3 U 7 H3 U 7 -8.547 -3.708 -8.783 75 H5 U 7 H5 U 7 -5.151 -4.865 -6.565 76 H6 U 7 H6 U 7 -6.624 -5.317 -4.686 77 1H5* C 8 H5' C 8 -13.736 -4.028 -3.163 78 2H5* C 8 H5'' C 8 -15.454 -3.638 -3.360 79 H4* C 8 H4' C 8 -15.778 -4.052 -1.158 80 H3* C 8 H3' C 8 -13.643 -1.896 -0.701 81 H2* C 8 H2' C 8 -13.689 -2.583 1.607 82 2HO* C 8 2HO' C 8 -15.607 -4.406 1.730 83 H1* C 8 H1' C 8 -14.026 -5.322 1.096 84 1H4 C 8 H41 C 8 -7.959 -4.312 2.781 85 2H4 C 8 H42 C 8 -7.516 -4.149 1.097 86 H5 C 8 H5 C 8 -9.189 -4.065 -0.701 87 H6 C 8 H6 C 8 -11.572 -4.167 -1.207 88 1H5* G 9 H5' G 9 -16.527 -1.450 1.894 89 2H5* G 9 H5'' G 9 -17.367 0.092 2.148 90 H4* G 9 H4' G 9 -16.626 -0.657 4.293 91 H3* G 9 H3' G 9 -14.746 1.509 3.205 92 H2* G 9 H2' G 9 -13.579 1.343 5.309 93 2HO* G 9 2HO' G 9 -15.671 1.278 6.476 94 H1* G 9 H1' G 9 -13.801 -1.433 5.563 95 H8 G 9 H8 G 9 -12.815 -0.499 2.013 96 H1 G 9 H1 G 9 -7.928 -0.454 6.178 97 1H2 G 9 H21 G 9 -8.699 -0.684 8.252 98 2H2 G 9 H22 G 9 -10.411 -0.739 8.602 99 1H5* G 10 H5' G 10 -16.364 2.948 7.182 100 2H5* G 10 H5'' G 10 -15.914 4.659 7.333 101 H4* G 10 H4' G 10 -14.776 2.772 8.848 102 H3* G 10 H3' G 10 -13.348 5.179 7.593 103 H2* G 10 H2' G 10 -11.349 4.378 8.710 104 2HO* G 10 2HO' G 10 -11.747 2.358 10.077 105 H1* G 10 H1' G 10 -11.714 1.713 8.071 106 H8 G 10 H8 G 10 -12.856 3.507 5.008 107 H1 G 10 H1 G 10 -6.484 3.677 5.697 108 1H2 G 10 H21 G 10 -5.925 3.126 7.772 109 2H2 G 10 H22 G 10 -7.103 2.500 8.905 110 1H5* U 11 H5' U 11 -12.430 6.373 12.007 111 2H5* U 11 H5'' U 11 -12.325 8.119 11.701 112 H4* U 11 H4' U 11 -10.181 6.755 12.426 113 H3* U 11 H3' U 11 -10.204 8.860 10.210 114 H2* U 11 H2' U 11 -7.813 8.450 10.073 115 2HO* U 11 2HO' U 11 -6.700 7.497 11.735 116 H1* U 11 H1' U 11 -7.963 5.684 10.448 117 H3 U 11 H3 U 11 -6.382 6.627 6.225 118 H5 U 11 H5 U 11 -10.591 6.692 5.918 119 H6 U 11 H6 U 11 -10.693 6.578 8.344 120 1H5* C 12 H5' C 12 -7.640 10.981 12.973 121 2H5* C 12 H5'' C 12 -8.365 12.578 13.256 122 H4* C 12 H4' C 12 -6.193 12.963 12.331 123 H3* C 12 H3' C 12 -8.386 13.280 10.221 124 H2* C 12 H2' C 12 -6.644 13.896 8.663 125 2HO* C 12 2HO' C 12 -5.238 15.191 9.625 126 H1* C 12 H1' C 12 -4.811 11.975 9.495 127 1H4 C 12 H41 C 12 -7.879 9.673 4.398 128 2H4 C 12 H42 C 12 -9.125 8.987 5.421 129 H5 C 12 H5 C 12 -9.299 9.541 7.825 130 H6 C 12 H6 C 12 -8.194 10.661 9.693 131 1H5* U 13 H5' U 13 -6.850 16.920 8.874 132 2H5* U 13 H5'' U 13 -8.380 17.784 8.627 133 H4* U 13 H4' U 13 -7.033 17.051 6.542 134 H3* U 13 H3' U 13 -10.013 16.455 6.883 135 H2* U 13 H2' U 13 -9.947 15.456 4.679 136 2HO* U 13 2HO' U 13 -8.421 15.937 3.253 137 H1* U 13 H1' U 13 -7.654 14.005 5.077 138 H3 U 13 H3 U 13 -11.286 11.165 5.351 139 H5 U 13 H5 U 13 -10.769 12.744 9.228 140 H6 U 13 H6 U 13 -9.137 14.290 8.298 141 1H5* U 14 H5' U 14 -8.428 20.471 3.632 142 2H5* U 14 H5'' U 14 -9.990 20.563 2.805 143 H4* U 14 H4' U 14 -8.448 21.074 1.127 144 H3* U 14 H3' U 14 -9.798 18.681 0.663 145 H2* U 14 H2' U 14 -8.007 17.175 1.242 146 2HO* U 14 2HO' U 14 -6.601 17.464 -0.971 147 H1* U 14 H1' U 14 -5.923 19.067 0.099 148 H3 U 14 H3 U 14 -2.614 16.630 2.023 149 H5 U 14 H5 U 14 -5.806 16.232 4.758 150 H6 U 14 H6 U 14 -7.141 17.614 3.295 151 1H5* C 15 H5' C 15 -8.047 16.616 -2.566 152 2H5* C 15 H5'' C 15 -9.439 16.815 -3.647 153 H4* C 15 H4' C 15 -8.749 14.453 -2.394 154 H3* C 15 H3' C 15 -10.789 14.992 -4.148 155 H2* C 15 H2' C 15 -12.174 16.141 -2.443 156 2HO* C 15 2HO' C 15 -13.502 13.997 -1.770 157 H1* C 15 H1' C 15 -11.642 13.767 -0.608 158 1H4 C 15 H41 C 15 -15.092 18.236 2.554 159 2H4 C 15 H42 C 15 -13.578 18.954 3.057 160 H5 C 15 H5 C 15 -11.402 18.103 2.271 161 H6 C 15 H6 C 15 -10.301 16.461 0.860 162 1H5* G 16 H5' G 16 -7.785 10.083 -3.457 163 2H5* G 16 H5'' G 16 -7.393 10.447 -1.765 164 H4* G 16 H4' G 16 -6.619 11.924 -4.273 165 H3* G 16 H3' G 16 -5.156 11.108 -1.705 166 H2* G 16 H2' G 16 -3.620 12.921 -2.170 167 2HO* G 16 2HO' G 16 -4.962 13.440 -4.618 168 H1* G 16 H1' G 16 -5.557 14.764 -2.852 169 H8 G 16 H8 G 16 -3.529 14.895 -0.627 170 H1 G 16 H1 G 16 -8.560 13.166 2.951 171 1H2 G 16 H21 G 16 -10.134 12.269 1.676 172 2H2 G 16 H22 G 16 -10.028 12.289 -0.071 173 1H5* G 17 H5' G 17 -0.459 12.240 -3.327 174 2H5* G 17 H5'' G 17 -0.457 10.469 -3.217 175 H4* G 17 H4' G 17 0.505 12.030 -1.247 176 H3* G 17 H3' G 17 -1.025 9.396 -0.935 177 H2* G 17 H2' G 17 -0.863 9.699 1.451 178 2HO* G 17 2HO' G 17 1.054 10.382 2.047 179 H1* G 17 H1' G 17 -1.280 12.458 1.479 180 H8 G 17 H8 G 17 -3.283 9.857 -0.643 181 H1 G 17 H1 G 17 -6.195 11.974 4.666 182 1H2 G 17 H21 G 17 -4.862 13.362 5.763 183 2H2 G 17 H22 G 17 -3.275 13.795 5.166 184 1H5* A 18 H5' A 18 2.794 8.773 1.821 185 2H5* A 18 H5'' A 18 2.868 7.006 1.670 186 H4* A 18 H4' A 18 2.536 7.994 4.027 187 H3* A 18 H3' A 18 0.658 5.849 2.899 188 H2* A 18 H2' A 18 -0.464 5.895 5.028 189 2HO* A 18 2HO' A 18 1.588 7.565 6.065 190 H1* A 18 H1' A 18 -0.293 8.654 5.428 191 H8 A 18 H8 A 18 -1.285 7.457 1.891 192 1H6 A 18 H61 A 18 -7.117 7.891 3.933 193 2H6 A 18 H62 A 18 -6.105 7.488 2.564 194 H2 A 18 H2 A 18 -4.388 8.550 7.411 195 1H5* C 19 H5' C 19 2.272 4.098 7.034 196 2H5* C 19 H5'' C 19 1.791 2.405 6.795 197 H4* C 19 H4' C 19 0.699 3.908 8.713 198 H3* C 19 H3' C 19 -0.776 1.878 6.964 199 H2* C 19 H2' C 19 -2.761 2.454 8.232 200 2HO* C 19 2HO' C 19 -2.558 3.017 10.266 201 H1* C 19 H1' C 19 -2.322 5.185 8.270 202 1H4 C 19 H41 C 19 -6.125 4.099 3.264 203 2H4 C 19 H42 C 19 -4.737 3.795 2.243 204 H5 C 19 H5 C 19 -2.468 3.503 3.170 205 H6 C 19 H6 C 19 -1.114 3.684 5.192 206 1H5* C 20 H5' C 20 -0.596 0.048 11.200 207 2H5* C 20 H5'' C 20 -0.630 -1.721 11.062 208 H4* C 20 H4' C 20 -2.591 -0.668 12.282 209 H3* C 20 H3' C 20 -3.049 -2.447 9.837 210 H2* C 20 H2' C 20 -5.424 -2.125 10.167 211 2HO* C 20 2HO' C 20 -5.542 -0.543 12.306 212 H1* C 20 H1' C 20 -5.313 0.583 10.672 213 1H4 C 20 H41 C 20 -6.298 -0.201 4.407 214 2H4 C 20 H42 C 20 -4.581 -0.032 4.116 215 H5 C 20 H5 C 20 -2.942 0.108 5.946 216 H6 C 20 H6 C 20 -2.669 0.127 8.371 217 1H5* G 21 H5' G 21 -5.744 -3.409 12.381 218 2H5* G 21 H5'' G 21 -5.725 -5.070 13.007 219 H4* G 21 H4' G 21 -7.959 -4.729 12.365 220 H3* G 21 H3' G 21 -6.532 -6.090 10.020 221 H2* G 21 H2' G 21 -8.717 -6.131 8.966 222 2HO* G 21 2HO' G 21 -10.110 -6.735 10.525 223 H1* G 21 H1' G 21 -9.457 -3.574 9.739 224 H8 G 21 H8 G 21 -5.779 -3.875 8.673 225 H1 G 21 H1 G 21 -9.900 -3.076 3.818 226 1H2 G 21 H21 G 21 -11.991 -3.289 4.555 227 2H2 G 21 H22 G 21 -12.354 -3.449 6.259 228 1H5* G 22 H5' G 22 -8.949 -9.532 12.405 229 2H5* G 22 H5'' G 22 -8.182 -11.059 11.921 230 H4* G 22 H4' G 22 -10.670 -10.795 11.388 231 H3* G 22 H3' G 22 -8.625 -11.514 9.229 232 H2* G 22 H2' G 22 -10.451 -11.594 7.647 233 2HO* G 22 2HO' G 22 -12.316 -12.302 8.349 234 H1* G 22 H1' G 22 -11.754 -9.326 8.529 235 H8 G 22 H8 G 22 -8.165 -8.362 8.827 236 H1 G 22 H1 G 22 -10.150 -8.630 2.725 237 1H2 G 22 H21 G 22 -12.125 -9.635 2.610 238 2H2 G 22 H22 G 22 -12.929 -10.263 4.030 239 1H5* C 23 H5' C 23 -11.056 -14.905 8.817 240 2H5* C 23 H5'' C 23 -10.073 -16.382 8.873 241 H4* C 23 H4' C 23 -11.199 -16.185 6.712 242 H3* C 23 H3' C 23 -8.166 -15.773 6.627 243 H2* C 23 H2' C 23 -8.377 -15.529 4.235 244 2HO* C 23 2HO' C 23 -10.052 -17.373 4.363 245 H1* C 23 H1' C 23 -10.730 -14.048 4.261 246 1H4 C 23 H41 C 23 -6.017 -9.804 3.688 247 2H4 C 23 H42 C 23 -5.738 -9.822 5.415 248 H5 C 23 H5 C 23 -7.062 -11.235 6.942 249 H6 C 23 H6 C 23 -8.711 -13.028 7.056 250 1H5* U 24 H5' U 24 -8.774 -19.451 4.085 251 2H5* U 24 H5'' U 24 -7.214 -20.298 4.047 252 H4* U 24 H4' U 24 -8.145 -19.136 1.871 253 H3* U 24 H3' U 24 -5.253 -18.979 2.857 254 H2* U 24 H2' U 24 -4.768 -17.569 0.981 255 2HO* U 24 2HO' U 24 -5.971 -17.632 -0.867 256 H1* U 24 H1' U 24 -7.238 -16.215 0.902 257 H3 U 24 H3 U 24 -3.808 -13.233 1.673 258 H5 U 24 H5 U 24 -4.853 -14.788 5.453 259 H6 U 24 H6 U 24 -6.251 -16.418 4.313 260 1H5* U 25 H5' U 25 -5.368 -20.961 -1.560 261 2H5* U 25 H5'' U 25 -3.750 -21.685 -1.678 262 H4* U 25 H4' U 25 -4.540 -19.852 -3.420 263 H3* U 25 H3' U 25 -1.777 -20.051 -2.129 264 H2* U 25 H2' U 25 -1.148 -18.048 -3.321 265 2HO* U 25 2HO' U 25 -3.618 -18.328 -4.738 266 H1* U 25 H1' U 25 -3.491 -16.647 -2.904 267 H3 U 25 H3 U 25 -0.217 -14.786 -0.266 268 H5 U 25 H5 U 25 -1.716 -18.045 1.953 269 H6 U 25 H6 U 25 -2.980 -18.706 -0.016 270 1H5* C 26 H5' C 26 -0.101 -20.424 -6.434 271 2H5* C 26 H5'' C 26 1.175 -21.590 -6.027 272 H4* C 26 H4' C 26 1.861 -19.215 -6.842 273 H3* C 26 H3' C 26 3.033 -20.564 -4.359 274 H2* C 26 H2' C 26 4.359 -18.600 -3.999 275 2HO* C 26 2HO' C 26 3.661 -17.778 -6.645 276 H1* C 26 H1' C 26 2.471 -16.716 -4.921 277 1H4 C 26 H41 C 26 2.405 -16.347 1.435 278 2H4 C 26 H42 C 26 1.355 -17.742 1.543 279 H5 C 26 H5 C 26 0.577 -18.955 -0.457 280 H6 C 26 H6 C 26 0.845 -19.176 -2.872 281 1H5* C 27 H5' C 27 7.025 -21.447 -3.779 282 2H5* C 27 H5'' C 27 5.679 -20.569 -3.024 283 H4* C 27 H4' C 27 8.166 -19.122 -3.948 284 H3* C 27 H3' C 27 7.721 -20.558 -1.291 285 H2* C 27 H2' C 27 8.921 -18.768 -0.233 286 2HO* C 27 2HO' C 27 9.516 -17.149 -2.264 287 H1* C 27 H1' C 27 7.677 -16.745 -1.655 288 1H4 C 27 H41 C 27 4.451 -17.554 3.797 289 2H4 C 27 H42 C 27 3.315 -18.594 2.969 290 H5 C 27 H5 C 27 3.584 -19.213 0.601 291 H6 C 27 H6 C 27 5.060 -19.060 -1.336 292 H3T C 27 H3T C 27 10.115 -20.642 -1.664 Start of MODEL 11 1 1H5* G 1 H5' G 1 14.638 -10.602 5.938 2 2H5* G 1 H5'' G 1 13.594 -9.697 7.054 3 H4* G 1 H4' G 1 13.068 -9.273 4.658 4 H3* G 1 H3' G 1 10.934 -10.551 6.424 5 H2* G 1 H2' G 1 9.504 -10.761 4.543 6 2HO* G 1 2HO' G 1 10.132 -9.493 2.576 7 H1* G 1 H1' G 1 11.460 -11.154 2.559 8 H8 G 1 H8 G 1 9.995 -12.703 5.792 9 H1 G 1 H1 G 1 10.894 -16.793 0.926 10 1H2 G 1 H21 G 1 11.957 -15.772 -0.735 11 2H2 G 1 H22 G 1 12.429 -14.090 -0.642 12 H5T G 1 H5T G 1 12.707 -11.496 7.721 13 1H5* G 2 H5' G 2 10.165 -5.884 4.538 14 2H5* G 2 H5'' G 2 8.431 -5.557 4.735 15 H4* G 2 H4' G 2 9.594 -5.359 2.354 16 H3* G 2 H3' G 2 6.834 -6.500 2.974 17 H2* G 2 H2' G 2 6.600 -7.150 0.667 18 2HO* G 2 2HO' G 2 8.898 -6.217 -0.400 19 H1* G 2 H1' G 2 9.157 -8.096 0.271 20 H8 G 2 H8 G 2 8.200 -9.051 3.785 21 H1 G 2 H1 G 2 5.554 -12.834 -0.675 22 1H2 G 2 H21 G 2 5.880 -11.974 -2.693 23 2H2 G 2 H22 G 2 6.654 -10.422 -2.926 24 1H5* A 3 H5' A 3 6.525 -4.740 -0.429 25 2H5* A 3 H5'' A 3 5.420 -3.357 -0.556 26 H4* A 3 H4' A 3 4.879 -4.785 -2.374 27 H3* A 3 H3' A 3 2.903 -5.155 -0.071 28 H2* A 3 H2' A 3 1.776 -6.822 -1.398 29 2HO* A 3 2HO' A 3 3.313 -6.620 -3.670 30 H1* A 3 H1' A 3 4.038 -8.045 -2.427 31 H8 A 3 H8 A 3 4.356 -7.002 1.266 32 1H6 A 3 H61 A 3 2.025 -12.598 2.550 33 2H6 A 3 H62 A 3 2.744 -11.153 3.226 34 H2 A 3 H2 A 3 1.811 -11.999 -1.869 35 1H5* A 4 H5' A 4 1.258 -5.174 -3.817 36 2H5* A 4 H5'' A 4 -0.249 -4.264 -4.045 37 H4* A 4 H4' A 4 -0.402 -6.618 -4.837 38 H3* A 4 H3' A 4 -2.193 -5.806 -2.489 39 H2* A 4 H2' A 4 -3.119 -8.030 -2.578 40 2HO* A 4 2HO' A 4 -2.281 -9.374 -4.474 41 H1* A 4 H1' A 4 -0.723 -9.361 -3.088 42 H8 A 4 H8 A 4 -0.341 -6.601 -0.460 43 1H6 A 4 H61 A 4 -2.145 -10.865 3.660 44 2H6 A 4 H62 A 4 -1.381 -9.303 3.457 45 H2 A 4 H2 A 4 -2.620 -12.607 -0.427 46 1H5* G 5 H5' G 5 -4.137 -7.765 -5.586 47 2H5* G 5 H5'' G 5 -5.815 -7.304 -5.944 48 H4* G 5 H4' G 5 -5.342 -9.767 -5.350 49 H3* G 5 H3' G 5 -7.516 -8.111 -3.985 50 H2* G 5 H2' G 5 -8.017 -9.987 -2.594 51 2HO* G 5 2HO' G 5 -8.188 -11.786 -3.694 52 H1* G 5 H1' G 5 -5.403 -11.055 -2.442 53 H8 G 5 H8 G 5 -5.098 -7.471 -1.499 54 H1 G 5 H1 G 5 -7.680 -11.072 3.149 55 1H2 G 5 H21 G 5 -8.332 -13.026 2.312 56 2H2 G 5 H22 G 5 -8.010 -13.476 0.654 57 1H5* U 6 H5' U 6 -9.689 -10.580 -4.135 58 2H5* U 6 H5'' U 6 -11.135 -10.471 -5.161 59 H4* U 6 H4' U 6 -12.116 -10.529 -3.059 60 H3* U 6 H3' U 6 -11.596 -7.608 -3.705 61 H2* U 6 H2' U 6 -11.881 -7.006 -1.450 62 2HO* U 6 2HO' U 6 -13.560 -7.987 -0.240 63 H1* U 6 H1' U 6 -11.809 -9.771 -0.383 64 H3 U 6 H3 U 6 -9.588 -7.788 3.041 65 H5 U 6 H5 U 6 -7.483 -6.453 -0.360 66 H6 U 6 H6 U 6 -9.102 -7.628 -1.737 67 1H5* U 7 H5' U 7 -14.639 -6.880 -6.224 68 2H5* U 7 H5'' U 7 -13.179 -6.426 -7.128 69 H4* U 7 H4' U 7 -13.733 -6.167 -4.166 70 H3* U 7 H3' U 7 -12.959 -4.219 -6.382 71 H2* U 7 H2' U 7 -11.595 -3.017 -4.842 72 2HO* U 7 2HO' U 7 -13.294 -4.243 -2.914 73 H1* U 7 H1' U 7 -10.841 -5.188 -3.182 74 H3 U 7 H3 U 7 -8.821 -4.987 -8.100 75 H5 U 7 H5 U 7 -6.650 -3.906 -4.649 76 H6 U 7 H6 U 7 -8.670 -4.273 -3.352 77 1H5* C 8 H5' C 8 -14.614 -0.809 -2.564 78 2H5* C 8 H5'' C 8 -13.700 -2.210 -3.150 79 H4* C 8 H4' C 8 -16.290 -3.046 -2.122 80 H3* C 8 H3' C 8 -14.561 -1.350 -0.265 81 H2* C 8 H2' C 8 -14.877 -2.964 1.456 82 2HO* C 8 2HO' C 8 -16.675 -4.668 0.603 83 H1* C 8 H1' C 8 -14.992 -5.262 -0.156 84 1H4 C 8 H41 C 8 -9.399 -4.814 2.983 85 2H4 C 8 H42 C 8 -8.653 -4.310 1.483 86 H5 C 8 H5 C 8 -9.977 -3.735 -0.515 87 H6 C 8 H6 C 8 -12.237 -3.656 -1.439 88 1H5* G 9 H5' G 9 -17.830 -1.415 1.667 89 2H5* G 9 H5'' G 9 -18.870 -0.015 2.006 90 H4* G 9 H4' G 9 -18.300 -0.712 4.154 91 H3* G 9 H3' G 9 -16.155 1.311 3.320 92 H2* G 9 H2' G 9 -15.139 0.942 5.475 93 2HO* G 9 2HO' G 9 -17.520 0.861 6.328 94 H1* G 9 H1' G 9 -15.606 -1.804 5.591 95 H8 G 9 H8 G 9 -14.391 -0.798 2.130 96 H1 G 9 H1 G 9 -9.701 -1.440 6.461 97 1H2 G 9 H21 G 9 -10.572 -1.743 8.485 98 2H2 G 9 H22 G 9 -12.289 -1.595 8.779 99 1H5* G 10 H5' G 10 -18.097 3.496 7.063 100 2H5* G 10 H5'' G 10 -17.421 5.121 6.828 101 H4* G 10 H4' G 10 -16.694 3.600 8.895 102 H3* G 10 H3' G 10 -14.861 5.403 7.232 103 H2* G 10 H2' G 10 -13.045 4.678 8.660 104 2HO* G 10 2HO' G 10 -13.700 3.216 10.490 105 H1* G 10 H1' G 10 -13.726 2.007 8.707 106 H8 G 10 H8 G 10 -14.503 3.143 5.217 107 H1 G 10 H1 G 10 -8.212 2.406 6.258 108 1H2 G 10 H21 G 10 -7.821 2.235 8.440 109 2H2 G 10 H22 G 10 -9.120 2.105 9.602 110 1H5* U 11 H5' U 11 -14.323 7.845 11.191 111 2H5* U 11 H5'' U 11 -13.722 9.329 10.420 112 H4* U 11 H4' U 11 -12.107 7.740 11.832 113 H3* U 11 H3' U 11 -11.397 9.176 9.227 114 H2* U 11 H2' U 11 -9.192 8.185 9.451 115 2HO* U 11 2HO' U 11 -9.324 6.785 11.689 116 H1* U 11 H1' U 11 -10.056 5.675 10.219 117 H3 U 11 H3 U 11 -8.372 5.549 5.926 118 H5 U 11 H5 U 11 -12.446 6.575 5.536 119 H6 U 11 H6 U 11 -12.533 6.839 7.949 120 1H5* C 12 H5' C 12 -8.694 11.662 12.155 121 2H5* C 12 H5'' C 12 -8.871 13.279 11.440 122 H4* C 12 H4' C 12 -6.517 12.295 11.459 123 H3* C 12 H3' C 12 -7.839 13.284 8.889 124 H2* C 12 H2' C 12 -5.857 12.637 7.680 125 2HO* C 12 2HO' C 12 -3.997 11.884 9.023 126 H1* C 12 H1' C 12 -5.417 10.237 8.970 127 1H4 C 12 H41 C 12 -8.770 8.922 3.719 128 2H4 C 12 H42 C 12 -10.264 9.062 4.617 129 H5 C 12 H5 C 12 -10.305 9.639 7.013 130 H6 C 12 H6 C 12 -8.948 10.409 8.893 131 1H5* U 13 H5' U 13 -4.528 16.553 8.730 132 2H5* U 13 H5'' U 13 -5.473 17.697 7.754 133 H4* U 13 H4' U 13 -3.405 16.424 6.696 134 H3* U 13 H3' U 13 -6.114 16.746 5.288 135 H2* U 13 H2' U 13 -4.983 15.716 3.382 136 2HO* U 13 2HO' U 13 -2.794 16.662 4.766 137 H1* U 13 H1' U 13 -3.721 13.753 4.895 138 H3 U 13 H3 U 13 -7.047 11.760 2.419 139 H5 U 13 H5 U 13 -8.950 13.212 5.894 140 H6 U 13 H6 U 13 -6.880 14.355 6.458 141 1H5* U 14 H5' U 14 -3.804 20.995 3.711 142 2H5* U 14 H5'' U 14 -5.320 21.839 3.349 143 H4* U 14 H4' U 14 -4.640 21.816 1.178 144 H3* U 14 H3' U 14 -6.100 19.538 1.239 145 H2* U 14 H2' U 14 -4.289 18.157 2.180 146 2HO* U 14 2HO' U 14 -4.360 18.000 -0.668 147 H1* U 14 H1' U 14 -2.428 19.271 0.029 148 H3 U 14 H3 U 14 0.991 19.557 3.506 149 H5 U 14 H5 U 14 -0.904 15.790 3.496 150 H6 U 14 H6 U 14 -2.530 16.684 1.950 151 1H5* C 15 H5' C 15 -6.640 17.152 -3.297 152 2H5* C 15 H5'' C 15 -7.901 17.513 -2.103 153 H4* C 15 H4' C 15 -6.043 15.146 -2.270 154 H3* C 15 H3' C 15 -8.737 15.229 -2.820 155 H2* C 15 H2' C 15 -9.369 16.103 -0.604 156 2HO* C 15 2HO' C 15 -10.447 14.392 0.275 157 H1* C 15 H1' C 15 -7.509 14.027 0.626 158 1H4 C 15 H41 C 15 -9.800 17.680 5.410 159 2H4 C 15 H42 C 15 -8.442 18.754 5.161 160 H5 C 15 H5 C 15 -7.008 18.605 3.161 161 H6 C 15 H6 C 15 -6.454 17.249 1.214 162 1H5* G 16 H5' G 16 -6.507 10.224 -1.556 163 2H5* G 16 H5'' G 16 -6.329 11.978 -1.763 164 H4* G 16 H4' G 16 -6.081 10.906 -4.361 165 H3* G 16 H3' G 16 -4.530 9.222 -2.325 166 H2* G 16 H2' G 16 -2.728 9.182 -3.946 167 2HO* G 16 2HO' G 16 -3.162 9.425 -6.014 168 H1* G 16 H1' G 16 -2.798 11.875 -4.450 169 H8 G 16 H8 G 16 -0.762 10.004 -2.914 170 H1 G 16 H1 G 16 -3.011 13.462 2.002 171 1H2 G 16 H21 G 16 -4.882 14.502 1.401 172 2H2 G 16 H22 G 16 -5.664 14.178 -0.131 173 1H5* G 17 H5' G 17 -2.306 6.361 -4.438 174 2H5* G 17 H5'' G 17 -2.642 4.996 -3.359 175 H4* G 17 H4' G 17 -0.854 6.938 -2.754 176 H3* G 17 H3' G 17 -2.660 5.331 -0.884 177 H2* G 17 H2' G 17 -1.850 6.647 0.967 178 2HO* G 17 2HO' G 17 0.117 7.507 -0.918 179 H1* G 17 H1' G 17 -1.999 9.091 -0.253 180 H8 G 17 H8 G 17 -4.701 6.793 -1.546 181 H1 G 17 H1 G 17 -6.205 9.706 3.969 182 1H2 G 17 H21 G 17 -4.409 10.722 4.796 183 2H2 G 17 H22 G 17 -2.908 10.815 3.901 184 1H5* A 18 H5' A 18 1.112 4.452 1.136 185 2H5* A 18 H5'' A 18 0.795 2.922 1.979 186 H4* A 18 H4' A 18 0.923 5.138 3.358 187 H3* A 18 H3' A 18 -1.317 3.069 3.670 188 H2* A 18 H2' A 18 -2.198 4.480 5.427 189 2HO* A 18 2HO' A 18 0.383 5.066 5.727 190 H1* A 18 H1' A 18 -1.781 6.892 4.123 191 H8 A 18 H8 A 18 -2.973 4.643 1.402 192 1H6 A 18 H61 A 18 -8.693 5.271 3.688 193 2H6 A 18 H62 A 18 -7.753 4.818 2.285 194 H2 A 18 H2 A 18 -5.831 6.977 6.664 195 1H5* C 19 H5' C 19 0.528 2.195 7.822 196 2H5* C 19 H5'' C 19 -0.113 0.552 8.020 197 H4* C 19 H4' C 19 -1.078 2.527 9.467 198 H3* C 19 H3' C 19 -2.791 0.414 8.067 199 H2* C 19 H2' C 19 -4.700 1.510 9.093 200 2HO* C 19 2HO' C 19 -3.428 3.472 10.475 201 H1* C 19 H1' C 19 -3.845 4.101 8.622 202 1H4 C 19 H41 C 19 -7.741 2.577 3.813 203 2H4 C 19 H42 C 19 -6.405 1.896 2.912 204 H5 C 19 H5 C 19 -4.110 1.850 3.808 205 H6 C 19 H6 C 19 -2.748 2.238 5.795 206 1H5* C 20 H5' C 20 -3.366 -0.337 12.312 207 2H5* C 20 H5'' C 20 -3.556 -2.057 12.709 208 H4* C 20 H4' C 20 -5.605 -0.698 13.148 209 H3* C 20 H3' C 20 -5.752 -2.939 11.073 210 H2* C 20 H2' C 20 -8.071 -2.384 10.745 211 2HO* C 20 2HO' C 20 -7.815 -1.635 13.335 212 H1* C 20 H1' C 20 -7.791 0.384 10.889 213 1H4 C 20 H41 C 20 -7.892 -1.162 4.707 214 2H4 C 20 H42 C 20 -6.155 -1.373 4.706 215 H5 C 20 H5 C 20 -4.802 -1.149 6.755 216 H6 C 20 H6 C 20 -4.895 -0.798 9.168 217 1H5* G 21 H5' G 21 -9.147 -3.271 12.826 218 2H5* G 21 H5'' G 21 -9.210 -4.662 13.928 219 H4* G 21 H4' G 21 -11.209 -4.976 12.815 220 H3* G 21 H3' G 21 -9.148 -6.309 10.986 221 H2* G 21 H2' G 21 -10.996 -6.808 9.510 222 2HO* G 21 2HO' G 21 -13.088 -5.813 10.873 223 H1* G 21 H1' G 21 -12.286 -4.370 9.776 224 H8 G 21 H8 G 21 -8.421 -4.371 9.551 225 H1 G 21 H1 G 21 -11.490 -3.974 3.924 226 1H2 G 21 H21 G 21 -13.673 -4.303 4.228 227 2H2 G 21 H22 G 21 -14.372 -4.405 5.828 228 1H5* G 22 H5' G 22 -11.492 -10.094 13.175 229 2H5* G 22 H5'' G 22 -10.136 -11.241 13.207 230 H4* G 22 H4' G 22 -12.204 -12.144 12.122 231 H3* G 22 H3' G 22 -9.632 -11.909 10.490 232 H2* G 22 H2' G 22 -10.817 -12.810 8.592 233 2HO* G 22 2HO' G 22 -12.635 -13.995 8.820 234 H1* G 22 H1' G 22 -13.151 -11.382 8.921 235 H8 G 22 H8 G 22 -10.369 -9.022 9.873 236 H1 G 22 H1 G 22 -10.971 -9.799 3.524 237 1H2 G 22 H21 G 22 -12.383 -11.459 3.094 238 2H2 G 22 H22 G 22 -13.066 -12.447 4.365 239 1H5* C 23 H5' C 23 -10.577 -15.991 9.925 240 2H5* C 23 H5'' C 23 -9.111 -16.987 10.006 241 H4* C 23 H4' C 23 -10.192 -17.088 7.782 242 H3* C 23 H3' C 23 -7.432 -15.768 7.904 243 H2* C 23 H2' C 23 -7.577 -15.484 5.522 244 2HO* C 23 2HO' C 23 -9.883 -17.146 5.472 245 H1* C 23 H1' C 23 -10.322 -14.936 5.406 246 1H4 C 23 H41 C 23 -7.303 -9.339 4.878 247 2H4 C 23 H42 C 23 -7.134 -9.229 6.616 248 H5 C 23 H5 C 23 -7.638 -11.130 8.106 249 H6 C 23 H6 C 23 -8.588 -13.376 8.204 250 1H5* U 24 H5' U 24 -6.930 -19.517 5.296 251 2H5* U 24 H5'' U 24 -5.198 -19.910 5.301 252 H4* U 24 H4' U 24 -6.407 -19.149 3.069 253 H3* U 24 H3' U 24 -3.640 -18.227 4.001 254 H2* U 24 H2' U 24 -3.523 -16.882 2.017 255 2HO* U 24 2HO' U 24 -5.873 -18.015 0.942 256 H1* U 24 H1' U 24 -6.240 -16.160 1.927 257 H3 U 24 H3 U 24 -3.489 -12.481 2.427 258 H5 U 24 H5 U 24 -4.328 -13.870 6.323 259 H6 U 24 H6 U 24 -5.321 -15.851 5.320 260 1H5* U 25 H5' U 25 -3.776 -20.035 -0.181 261 2H5* U 25 H5'' U 25 -2.157 -20.552 -0.696 262 H4* U 25 H4' U 25 -3.477 -18.757 -2.099 263 H3* U 25 H3' U 25 -0.513 -18.623 -1.372 264 H2* U 25 H2' U 25 -0.393 -16.492 -2.491 265 2HO* U 25 2HO' U 25 -2.639 -15.926 -3.543 266 H1* U 25 H1' U 25 -2.798 -15.471 -1.575 267 H3 U 25 H3 U 25 0.649 -13.229 0.492 268 H5 U 25 H5 U 25 0.015 -16.702 2.803 269 H6 U 25 H6 U 25 -1.482 -17.497 1.061 270 1H5* C 26 H5' C 26 -0.294 -17.024 -4.817 271 2H5* C 26 H5'' C 26 0.249 -18.210 -6.022 272 H4* C 26 H4' C 26 1.507 -16.290 -6.520 273 H3* C 26 H3' C 26 3.174 -18.113 -4.716 274 H2* C 26 H2' C 26 4.914 -16.463 -4.768 275 2HO* C 26 2HO' C 26 3.917 -14.684 -6.551 276 H1* C 26 H1' C 26 3.251 -14.189 -4.791 277 1H4 C 26 H41 C 26 5.446 -14.729 1.164 278 2H4 C 26 H42 C 26 4.227 -15.925 1.545 279 H5 C 26 H5 C 26 2.577 -16.690 -0.119 280 H6 C 26 H6 C 26 1.949 -16.605 -2.475 281 1H5* C 27 H5' C 27 6.681 -20.135 -5.724 282 2H5* C 27 H5'' C 27 5.989 -18.913 -4.637 283 H4* C 27 H4' C 27 8.220 -18.113 -6.480 284 H3* C 27 H3' C 27 8.543 -19.736 -3.917 285 H2* C 27 H2' C 27 10.488 -18.419 -3.424 286 2HO* C 27 2HO' C 27 10.453 -18.100 -6.147 287 H1* C 27 H1' C 27 9.345 -15.997 -4.100 288 1H4 C 27 H41 C 27 8.464 -17.108 2.160 289 2H4 C 27 H42 C 27 6.758 -17.304 1.824 290 H5 C 27 H5 C 27 5.898 -17.566 -0.472 291 H6 C 27 H6 C 27 6.491 -17.465 -2.837 292 H3T C 27 H3T C 27 9.407 -20.958 -5.422 Start of MODEL 12 1 1H5* G 1 H5' G 1 11.085 -17.464 6.782 2 2H5* G 1 H5'' G 1 10.178 -16.705 8.106 3 H4* G 1 H4' G 1 10.617 -15.108 6.286 4 H3* G 1 H3' G 1 7.713 -15.894 6.788 5 H2* G 1 H2' G 1 7.031 -14.613 4.913 6 2HO* G 1 2HO' G 1 8.668 -13.050 4.032 7 H1* G 1 H1' G 1 9.321 -14.932 3.309 8 H8 G 1 H8 G 1 6.391 -16.869 4.942 9 H1 G 1 H1 G 1 7.682 -18.428 -1.152 10 1H2 G 1 H21 G 1 9.577 -17.456 -1.796 11 2H2 G 1 H22 G 1 10.404 -16.291 -0.786 12 H5T G 1 H5T G 1 8.614 -18.042 7.777 13 1H5* G 2 H5' G 2 9.300 -11.161 7.445 14 2H5* G 2 H5'' G 2 7.856 -10.165 7.726 15 H4* G 2 H4' G 2 9.572 -9.454 5.877 16 H3* G 2 H3' G 2 6.536 -9.485 5.564 17 H2* G 2 H2' G 2 6.792 -8.836 3.257 18 2HO* G 2 2HO' G 2 8.847 -8.125 2.486 19 H1* G 2 H1' G 2 8.904 -10.490 2.638 20 H8 G 2 H8 G 2 6.684 -12.358 5.048 21 H1 G 2 H1 G 2 4.460 -12.336 -0.972 22 1H2 G 2 H21 G 2 5.672 -10.957 -2.223 23 2H2 G 2 H22 G 2 6.885 -9.904 -1.526 24 1H5* A 3 H5' A 3 7.786 -6.325 3.581 25 2H5* A 3 H5'' A 3 7.142 -4.768 4.139 26 H4* A 3 H4' A 3 6.769 -4.822 1.795 27 H3* A 3 H3' A 3 4.217 -5.506 3.332 28 H2* A 3 H2' A 3 3.094 -5.781 1.216 29 2HO* A 3 2HO' A 3 5.435 -4.601 0.071 30 H1* A 3 H1' A 3 5.123 -7.125 -0.091 31 H8 A 3 H8 A 3 4.650 -8.007 3.644 32 1H6 A 3 H61 A 3 0.933 -12.515 1.578 33 2H6 A 3 H62 A 3 1.609 -11.757 3.003 34 H2 A 3 H2 A 3 2.070 -9.962 -1.908 35 1H5* A 4 H5' A 4 3.381 -3.124 -0.205 36 2H5* A 4 H5'' A 4 1.890 -2.205 0.089 37 H4* A 4 H4' A 4 1.880 -4.011 -1.770 38 H3* A 4 H3' A 4 -0.263 -3.827 0.405 39 H2* A 4 H2' A 4 -1.338 -5.730 -0.609 40 2HO* A 4 2HO' A 4 0.265 -6.172 -2.741 41 H1* A 4 H1' A 4 0.969 -7.170 -1.171 42 H8 A 4 H8 A 4 1.034 -5.373 2.230 43 1H6 A 4 H61 A 4 -1.591 -10.517 4.478 44 2H6 A 4 H62 A 4 -0.821 -9.002 4.891 45 H2 A 4 H2 A 4 -1.437 -10.882 0.029 46 1H5* G 5 H5' G 5 -1.596 -4.522 -3.450 47 2H5* G 5 H5'' G 5 -3.109 -3.743 -3.955 48 H4* G 5 H4' G 5 -2.926 -6.317 -4.165 49 H3* G 5 H3' G 5 -5.280 -4.896 -2.834 50 H2* G 5 H2' G 5 -6.226 -7.029 -2.314 51 2HO* G 5 2HO' G 5 -4.377 -8.207 -4.142 52 H1* G 5 H1' G 5 -3.808 -8.434 -1.914 53 H8 G 5 H8 G 5 -3.512 -5.361 0.149 54 H1 G 5 H1 G 5 -7.584 -9.623 2.690 55 1H2 G 5 H21 G 5 -8.146 -11.138 1.162 56 2H2 G 5 H22 G 5 -7.366 -11.201 -0.402 57 1H5* U 6 H5' U 6 -7.566 -7.525 -4.171 58 2H5* U 6 H5'' U 6 -8.903 -6.748 -5.042 59 H4* U 6 H4' U 6 -9.778 -7.828 -3.054 60 H3* U 6 H3' U 6 -9.672 -4.781 -2.873 61 H2* U 6 H2' U 6 -10.414 -4.918 -0.625 62 2HO* U 6 2HO' U 6 -12.151 -6.483 -1.711 63 H1* U 6 H1' U 6 -9.567 -7.676 -0.181 64 H3 U 6 H3 U 6 -7.994 -5.709 3.607 65 H5 U 6 H5 U 6 -5.922 -3.721 0.517 66 H6 U 6 H6 U 6 -7.288 -4.938 -1.082 67 1H5* U 7 H5' U 7 -12.726 -1.830 -3.755 68 2H5* U 7 H5'' U 7 -11.400 -2.359 -4.810 69 H4* U 7 H4' U 7 -11.301 -3.204 -1.945 70 H3* U 7 H3' U 7 -10.985 -0.315 -2.828 71 H2* U 7 H2' U 7 -8.880 -0.146 -1.757 72 2HO* U 7 2HO' U 7 -9.263 -2.458 -0.210 73 H1* U 7 H1' U 7 -8.098 -2.883 -1.837 74 H3 U 7 H3 U 7 -7.814 -0.052 -6.328 75 H5 U 7 H5 U 7 -4.452 -1.017 -3.968 76 H6 U 7 H6 U 7 -5.967 -2.029 -2.358 77 1H5* C 8 H5' C 8 -13.361 -2.178 -1.531 78 2H5* C 8 H5'' C 8 -15.104 -1.863 -1.636 79 H4* C 8 H4' C 8 -15.291 -3.418 0.017 80 H3* C 8 H3' C 8 -14.078 -1.120 1.642 81 H2* C 8 H2' C 8 -13.962 -2.655 3.484 82 2HO* C 8 2HO' C 8 -16.108 -3.436 3.251 83 H1* C 8 H1' C 8 -13.330 -4.934 1.982 84 1H4 C 8 H41 C 8 -8.077 -2.824 4.949 85 2H4 C 8 H42 C 8 -7.573 -2.066 3.455 86 H5 C 8 H5 C 8 -9.097 -1.801 1.544 87 H6 C 8 H6 C 8 -11.288 -2.394 0.652 88 1H5* G 9 H5' G 9 -18.389 -0.669 3.657 89 2H5* G 9 H5'' G 9 -18.234 1.075 3.955 90 H4* G 9 H4' G 9 -18.294 -0.527 5.994 91 H3* G 9 H3' G 9 -16.134 1.619 5.642 92 H2* G 9 H2' G 9 -15.281 0.922 7.792 93 2HO* G 9 2HO' G 9 -17.404 0.811 8.757 94 H1* G 9 H1' G 9 -15.658 -1.811 7.409 95 H8 G 9 H8 G 9 -14.280 -0.463 4.183 96 H1 G 9 H1 G 9 -9.821 -1.085 8.761 97 1H2 G 9 H21 G 9 -10.792 -1.445 10.723 98 2H2 G 9 H22 G 9 -12.528 -1.589 10.889 99 1H5* G 10 H5' G 10 -17.954 3.517 9.512 100 2H5* G 10 H5'' G 10 -17.727 5.202 9.001 101 H4* G 10 H4' G 10 -16.468 4.509 11.090 102 H3* G 10 H3' G 10 -14.935 5.612 8.679 103 H2* G 10 H2' G 10 -12.932 5.435 10.033 104 2HO* G 10 2HO' G 10 -13.722 6.221 11.983 105 H1* G 10 H1' G 10 -13.489 2.950 11.078 106 H8 G 10 H8 G 10 -14.662 3.146 7.454 107 H1 G 10 H1 G 10 -8.416 1.859 8.141 108 1H2 G 10 H21 G 10 -7.784 2.258 10.233 109 2H2 G 10 H22 G 10 -8.948 2.598 11.493 110 1H5* U 11 H5' U 11 -14.321 9.462 11.534 111 2H5* U 11 H5'' U 11 -13.947 10.581 10.207 112 H4* U 11 H4' U 11 -12.107 9.948 12.007 113 H3* U 11 H3' U 11 -11.613 10.176 8.997 114 H2* U 11 H2' U 11 -9.285 9.693 9.520 115 2HO* U 11 2HO' U 11 -8.631 9.622 11.752 116 H1* U 11 H1' U 11 -9.802 7.666 11.318 117 H3 U 11 H3 U 11 -8.096 5.943 7.385 118 H5 U 11 H5 U 11 -12.279 6.115 6.866 119 H6 U 11 H6 U 11 -12.411 7.392 8.926 120 1H5* C 12 H5' C 12 -9.176 13.202 10.626 121 2H5* C 12 H5'' C 12 -9.368 14.813 9.905 122 H4* C 12 H4' C 12 -7.075 14.164 9.612 123 H3* C 12 H3' C 12 -8.707 13.867 7.044 124 H2* C 12 H2' C 12 -6.673 13.157 5.947 125 2HO* C 12 2HO' C 12 -4.807 13.929 6.603 126 H1* C 12 H1' C 12 -5.767 11.529 8.002 127 1H4 C 12 H41 C 12 -8.930 7.856 3.854 128 2H4 C 12 H42 C 12 -10.411 8.075 4.764 129 H5 C 12 H5 C 12 -10.610 9.757 6.559 130 H6 C 12 H6 C 12 -9.371 11.355 7.933 131 1H5* U 13 H5' U 13 -5.990 16.109 4.710 132 2H5* U 13 H5'' U 13 -7.181 16.990 3.730 133 H4* U 13 H4' U 13 -5.739 14.994 2.702 134 H3* U 13 H3' U 13 -8.708 15.521 2.164 135 H2* U 13 H2' U 13 -8.608 13.637 0.640 136 2HO* U 13 2HO' U 13 -6.629 12.692 0.097 137 H1* U 13 H1' U 13 -7.246 11.979 2.359 138 H3 U 13 H3 U 13 -11.818 11.064 1.906 139 H5 U 13 H5 U 13 -11.264 13.210 5.498 140 H6 U 13 H6 U 13 -8.991 13.681 4.772 141 1H5* U 14 H5' U 14 -5.126 17.023 -1.557 142 2H5* U 14 H5'' U 14 -6.305 17.088 -2.874 143 H4* U 14 H4' U 14 -4.324 16.384 -3.897 144 H3* U 14 H3' U 14 -6.362 14.469 -3.992 145 H2* U 14 H2' U 14 -5.451 12.954 -2.354 146 2HO* U 14 2HO' U 14 -3.682 12.379 -4.495 147 H1* U 14 H1' U 14 -2.607 13.583 -3.208 148 H3 U 14 H3 U 14 -0.982 11.499 0.482 149 H5 U 14 H5 U 14 -4.637 13.122 1.837 150 H6 U 14 H6 U 14 -5.005 13.972 -0.396 151 1H5* C 15 H5' C 15 -4.886 11.068 -5.442 152 2H5* C 15 H5'' C 15 -5.407 11.164 -7.135 153 H4* C 15 H4' C 15 -6.316 9.237 -5.638 154 H3* C 15 H3' C 15 -7.473 10.399 -7.901 155 H2* C 15 H2' C 15 -8.999 11.864 -6.799 156 2HO* C 15 2HO' C 15 -10.974 10.541 -6.346 157 H1* C 15 H1' C 15 -9.524 9.941 -4.534 158 1H4 C 15 H41 C 15 -11.732 15.795 -3.040 159 2H4 C 15 H42 C 15 -10.177 16.139 -2.315 160 H5 C 15 H5 C 15 -8.237 14.645 -2.603 161 H6 C 15 H6 C 15 -7.497 12.501 -3.460 162 1H5* G 16 H5' G 16 -7.299 5.979 -4.554 163 2H5* G 16 H5'' G 16 -7.183 6.847 -3.010 164 H4* G 16 H4' G 16 -5.238 6.812 -5.320 165 H3* G 16 H3' G 16 -5.013 6.311 -2.305 166 H2* G 16 H2' G 16 -2.711 7.033 -2.479 167 2HO* G 16 2HO' G 16 -3.207 6.618 -5.239 168 H1* G 16 H1' G 16 -3.213 9.226 -4.061 169 H8 G 16 H8 G 16 -2.048 9.097 -1.271 170 H1 G 16 H1 G 16 -7.955 10.975 0.367 171 1H2 G 16 H21 G 16 -9.377 10.555 -1.271 172 2H2 G 16 H22 G 16 -8.862 9.858 -2.790 173 1H5* G 17 H5' G 17 -2.211 4.770 -3.413 174 2H5* G 17 H5'' G 17 -1.263 3.359 -2.912 175 H4* G 17 H4' G 17 -0.438 5.123 -1.591 176 H3* G 17 H3' G 17 -2.522 3.601 0.062 177 H2* G 17 H2' G 17 -1.934 5.100 1.880 178 2HO* G 17 2HO' G 17 0.103 5.657 1.981 179 H1* G 17 H1' G 17 -1.889 7.403 0.348 180 H8 G 17 H8 G 17 -4.517 4.698 -0.481 181 H1 G 17 H1 G 17 -6.512 9.248 3.567 182 1H2 G 17 H21 G 17 -4.828 10.570 4.116 183 2H2 G 17 H22 G 17 -3.220 10.355 3.457 184 1H5* A 18 H5' A 18 1.191 3.047 2.757 185 2H5* A 18 H5'' A 18 0.580 1.776 3.836 186 H4* A 18 H4' A 18 0.940 4.286 4.687 187 H3* A 18 H3' A 18 -1.407 2.457 5.436 188 H2* A 18 H2' A 18 -2.151 4.270 6.861 189 2HO* A 18 2HO' A 18 -0.416 6.185 6.632 190 H1* A 18 H1' A 18 -1.608 6.302 5.043 191 H8 A 18 H8 A 18 -3.056 3.449 3.054 192 1H6 A 18 H61 A 18 -8.626 5.425 4.883 193 2H6 A 18 H62 A 18 -7.771 4.266 3.892 194 H2 A 18 H2 A 18 -5.551 7.538 7.347 195 1H5* C 19 H5' C 19 -0.577 3.931 8.708 196 2H5* C 19 H5'' C 19 0.049 2.870 9.984 197 H4* C 19 H4' C 19 -1.714 3.949 11.063 198 H3* C 19 H3' C 19 -2.903 1.402 9.858 199 H2* C 19 H2' C 19 -4.987 2.100 10.909 200 2HO* C 19 2HO' C 19 -3.854 2.819 12.866 201 H1* C 19 H1' C 19 -4.804 4.751 10.167 202 1H4 C 19 H41 C 19 -8.116 1.953 5.488 203 2H4 C 19 H42 C 19 -6.640 1.420 4.709 204 H5 C 19 H5 C 19 -4.442 1.571 5.827 205 H6 C 19 H6 C 19 -3.265 2.452 7.773 206 1H5* C 20 H5' C 20 -2.992 -0.039 14.416 207 2H5* C 20 H5'' C 20 -2.607 -1.741 14.089 208 H4* C 20 H4' C 20 -4.866 -1.282 15.178 209 H3* C 20 H3' C 20 -4.653 -2.847 12.558 210 H2* C 20 H2' C 20 -7.056 -3.113 12.633 211 2HO* C 20 2HO' C 20 -7.030 -3.526 14.962 212 H1* C 20 H1' C 20 -7.640 -0.521 13.377 213 1H4 C 20 H41 C 20 -7.895 -0.723 7.010 214 2H4 C 20 H42 C 20 -6.195 -0.323 6.905 215 H5 C 20 H5 C 20 -4.806 0.026 8.911 216 H6 C 20 H6 C 20 -4.745 -0.166 11.343 217 1H5* G 21 H5' G 21 -6.920 -5.880 15.141 218 2H5* G 21 H5'' G 21 -6.449 -7.387 14.330 219 H4* G 21 H4' G 21 -8.939 -6.682 14.265 220 H3* G 21 H3' G 21 -7.417 -7.431 11.717 221 H2* G 21 H2' G 21 -9.593 -7.232 10.626 222 2HO* G 21 2HO' G 21 -10.681 -8.230 12.517 223 H1* G 21 H1' G 21 -10.270 -4.863 11.843 224 H8 G 21 H8 G 21 -6.528 -4.879 11.199 225 H1 G 21 H1 G 21 -10.013 -3.488 5.993 226 1H2 G 21 H21 G 21 -12.153 -3.969 6.359 227 2H2 G 21 H22 G 21 -12.735 -4.419 7.948 228 1H5* G 22 H5' G 22 -10.161 -10.970 12.669 229 2H5* G 22 H5'' G 22 -9.294 -12.488 12.356 230 H4* G 22 H4' G 22 -11.366 -12.415 11.068 231 H3* G 22 H3' G 22 -8.796 -12.174 9.428 232 H2* G 22 H2' G 22 -10.167 -12.054 7.444 233 2HO* G 22 2HO' G 22 -11.641 -13.738 8.583 234 H1* G 22 H1' G 22 -12.088 -10.363 8.462 235 H8 G 22 H8 G 22 -8.742 -9.232 9.855 236 H1 G 22 H1 G 22 -9.825 -7.366 3.804 237 1H2 G 22 H21 G 22 -11.655 -8.353 3.023 238 2H2 G 22 H22 G 22 -12.475 -9.612 3.918 239 1H5* C 23 H5' C 23 -9.860 -16.556 7.919 240 2H5* C 23 H5'' C 23 -8.205 -16.994 7.446 241 H4* C 23 H4' C 23 -10.099 -16.594 5.620 242 H3* C 23 H3' C 23 -7.182 -15.686 5.428 243 H2* C 23 H2' C 23 -7.725 -14.742 3.273 244 2HO* C 23 2HO' C 23 -10.015 -15.207 2.520 245 H1* C 23 H1' C 23 -10.191 -13.694 3.984 246 1H4 C 23 H41 C 23 -5.910 -8.998 4.506 247 2H4 C 23 H42 C 23 -5.670 -9.389 6.194 248 H5 C 23 H5 C 23 -6.798 -11.293 7.275 249 H6 C 23 H6 C 23 -8.236 -13.227 6.893 250 1H5* U 24 H5' U 24 -7.788 -17.912 1.907 251 2H5* U 24 H5'' U 24 -6.290 -18.636 1.286 252 H4* U 24 H4' U 24 -7.341 -16.669 -0.032 253 H3* U 24 H3' U 24 -4.392 -16.772 0.772 254 H2* U 24 H2' U 24 -4.099 -14.630 -0.270 255 2HO* U 24 2HO' U 24 -6.452 -15.415 -1.628 256 H1* U 24 H1' U 24 -6.575 -13.532 0.442 257 H3 U 24 H3 U 24 -3.079 -11.204 2.371 258 H5 U 24 H5 U 24 -4.011 -14.344 5.032 259 H6 U 24 H6 U 24 -5.458 -15.271 3.314 260 1H5* U 25 H5' U 25 -5.073 -16.760 -3.681 261 2H5* U 25 H5'' U 25 -3.745 -17.421 -4.656 262 H4* U 25 H4' U 25 -4.431 -14.992 -5.109 263 H3* U 25 H3' U 25 -1.548 -15.817 -4.530 264 H2* U 25 H2' U 25 -0.893 -13.503 -4.681 265 2HO* U 25 2HO' U 25 -2.341 -11.947 -5.547 266 H1* U 25 H1' U 25 -3.035 -12.421 -3.313 267 H3 U 25 H3 U 25 0.813 -12.190 -0.769 268 H5 U 25 H5 U 25 -0.965 -15.907 0.137 269 H6 U 25 H6 U 25 -2.503 -15.536 -1.708 270 1H5* C 26 H5' C 26 -0.769 -13.070 -7.203 271 2H5* C 26 H5'' C 26 -0.153 -13.823 -8.686 272 H4* C 26 H4' C 26 1.403 -12.114 -8.118 273 H3* C 26 H3' C 26 2.436 -14.862 -7.260 274 H2* C 26 H2' C 26 4.389 -13.782 -6.383 275 2HO* C 26 2HO' C 26 5.174 -12.003 -7.294 276 H1* C 26 H1' C 26 3.125 -11.425 -5.484 277 1H4 C 26 H41 C 26 4.043 -14.921 -0.241 278 2H4 C 26 H42 C 26 2.751 -16.016 -0.681 279 H5 C 26 H5 C 26 1.416 -15.711 -2.730 280 H6 C 26 H6 C 26 1.241 -14.456 -4.815 281 1H5* C 27 H5' C 27 6.886 -15.529 -9.649 282 2H5* C 27 H5'' C 27 6.058 -16.422 -8.356 283 H4* C 27 H4' C 27 8.085 -14.186 -8.093 284 H3* C 27 H3' C 27 7.953 -17.082 -7.142 285 H2* C 27 H2' C 27 9.310 -16.449 -5.267 286 2HO* C 27 2HO' C 27 9.550 -13.775 -5.956 287 H1* C 27 H1' C 27 7.921 -14.133 -4.702 288 1H4 C 27 H41 C 27 5.342 -18.927 -1.322 289 2H4 C 27 H42 C 27 4.030 -19.002 -2.477 290 H5 C 27 H5 C 27 3.958 -17.566 -4.477 291 H6 C 27 H6 C 27 5.219 -15.963 -5.815 292 H3T C 27 H3T C 27 10.150 -16.932 -7.832 Start of MODEL 13 1 1H5* G 1 H5' G 1 8.841 -15.683 10.061 2 2H5* G 1 H5'' G 1 7.763 -14.696 11.068 3 H4* G 1 H4' G 1 8.462 -13.361 9.189 4 H3* G 1 H3' G 1 5.574 -14.326 9.005 5 H2* G 1 H2' G 1 5.386 -13.356 6.847 6 2HO* G 1 2HO' G 1 7.780 -11.943 6.921 7 H1* G 1 H1' G 1 8.046 -13.702 5.990 8 H8 G 1 H8 G 1 4.862 -15.631 7.051 9 H1 G 1 H1 G 1 7.856 -17.892 1.839 10 1H2 G 1 H21 G 1 9.812 -16.862 1.586 11 2H2 G 1 H22 G 1 10.270 -15.499 2.580 12 H5T G 1 H5T G 1 6.060 -15.856 10.422 13 1H5* G 2 H5' G 2 6.844 -9.515 9.308 14 2H5* G 2 H5'' G 2 5.380 -8.531 9.097 15 H4* G 2 H4' G 2 7.493 -7.996 7.655 16 H3* G 2 H3' G 2 4.632 -8.171 6.616 17 H2* G 2 H2' G 2 5.427 -7.867 4.367 18 2HO* G 2 2HO' G 2 7.693 -7.266 4.060 19 H1* G 2 H1' G 2 7.654 -9.481 4.511 20 H8 G 2 H8 G 2 4.952 -11.122 6.570 21 H1 G 2 H1 G 2 4.223 -11.994 0.253 22 1H2 G 2 H21 G 2 5.670 -10.730 -0.860 23 2H2 G 2 H22 G 2 6.672 -9.545 -0.052 24 1H5* A 3 H5' A 3 6.158 -4.410 4.546 25 2H5* A 3 H5'' A 3 4.722 -3.373 4.656 26 H4* A 3 H4' A 3 5.595 -3.914 2.307 27 H3* A 3 H3' A 3 2.684 -4.421 3.103 28 H2* A 3 H2' A 3 2.298 -5.211 0.864 29 2HO* A 3 2HO' A 3 3.524 -3.391 -0.040 30 H1* A 3 H1' A 3 4.721 -6.547 0.541 31 H8 A 3 H8 A 3 3.231 -7.172 3.998 32 1H6 A 3 H61 A 3 -0.055 -11.686 1.318 33 2H6 A 3 H62 A 3 0.505 -11.035 2.842 34 H2 A 3 H2 A 3 2.026 -9.400 -1.908 35 1H5* A 4 H5' A 4 2.456 -2.149 -0.996 36 2H5* A 4 H5'' A 4 0.976 -1.219 -0.679 37 H4* A 4 H4' A 4 0.982 -2.819 -2.700 38 H3* A 4 H3' A 4 -1.212 -2.857 -0.569 39 H2* A 4 H2' A 4 -2.270 -4.635 -1.797 40 2HO* A 4 2HO' A 4 -1.570 -5.114 -3.950 41 H1* A 4 H1' A 4 0.050 -6.000 -2.509 42 H8 A 4 H8 A 4 0.055 -4.680 1.100 43 1H6 A 4 H61 A 4 -2.585 -10.089 2.579 44 2H6 A 4 H62 A 4 -1.853 -8.629 3.208 45 H2 A 4 H2 A 4 -2.375 -9.829 -1.875 46 1H5* G 5 H5' G 5 -2.669 -3.389 -4.576 47 2H5* G 5 H5'' G 5 -4.219 -2.548 -4.790 48 H4* G 5 H4' G 5 -4.150 -5.080 -5.268 49 H3* G 5 H3' G 5 -6.218 -3.789 -3.426 50 H2* G 5 H2' G 5 -7.126 -5.958 -2.998 51 2HO* G 5 2HO' G 5 -6.534 -7.731 -4.437 52 H1* G 5 H1' G 5 -4.713 -7.415 -3.144 53 H8 G 5 H8 G 5 -4.418 -4.366 -0.897 54 H1 G 5 H1 G 5 -7.083 -9.469 1.942 55 1H2 G 5 H21 G 5 -7.626 -10.990 0.414 56 2H2 G 5 H22 G 5 -7.138 -10.828 -1.260 57 1H5* U 6 H5' U 6 -8.617 -6.623 -4.670 58 2H5* U 6 H5'' U 6 -9.976 -5.810 -5.471 59 H4* U 6 H4' U 6 -10.937 -7.037 -3.680 60 H3* U 6 H3' U 6 -10.570 -4.107 -2.875 61 H2* U 6 H2' U 6 -11.458 -4.660 -0.732 62 2HO* U 6 2HO' U 6 -12.549 -6.937 -0.725 63 H1* U 6 H1' U 6 -10.592 -7.406 -0.713 64 H3 U 6 H3 U 6 -8.616 -6.002 3.129 65 H5 U 6 H5 U 6 -6.937 -3.477 0.199 66 H6 U 6 H6 U 6 -8.419 -4.501 -1.428 67 1H5* U 7 H5' U 7 -13.933 -1.283 -4.108 68 2H5* U 7 H5'' U 7 -12.225 -1.532 -4.521 69 H4* U 7 H4' U 7 -13.064 -3.373 -2.430 70 H3* U 7 H3' U 7 -13.609 -0.420 -1.917 71 H2* U 7 H2' U 7 -12.530 -0.613 0.215 72 2HO* U 7 2HO' U 7 -13.569 -2.495 0.899 73 H1* U 7 H1' U 7 -10.486 -2.359 -0.530 74 H3 U 7 H3 U 7 -10.440 2.284 -3.105 75 H5 U 7 H5 U 7 -8.023 1.485 0.259 76 H6 U 7 H6 U 7 -9.159 -0.654 0.473 77 1H5* C 8 H5' C 8 -14.625 -4.034 0.148 78 2H5* C 8 H5'' C 8 -16.173 -4.892 0.008 79 H4* C 8 H4' C 8 -16.253 -5.352 2.245 80 H3* C 8 H3' C 8 -15.037 -2.582 2.724 81 H2* C 8 H2' C 8 -14.363 -3.389 4.884 82 2HO* C 8 2HO' C 8 -15.582 -5.845 4.830 83 H1* C 8 H1' C 8 -13.772 -6.020 4.081 84 1H4 C 8 H41 C 8 -8.274 -2.886 4.902 85 2H4 C 8 H42 C 8 -8.233 -2.523 3.191 86 H5 C 8 H5 C 8 -10.187 -2.871 1.732 87 H6 C 8 H6 C 8 -12.428 -3.828 1.608 88 1H5* G 9 H5' G 9 -17.038 -3.105 6.101 89 2H5* G 9 H5'' G 9 -18.453 -2.038 6.226 90 H4* G 9 H4' G 9 -17.476 -1.605 8.272 91 H3* G 9 H3' G 9 -15.996 0.279 6.356 92 H2* G 9 H2' G 9 -14.730 1.003 8.277 93 2HO* G 9 2HO' G 9 -16.935 0.704 9.531 94 H1* G 9 H1' G 9 -14.424 -1.516 9.413 95 H8 G 9 H8 G 9 -14.053 -1.201 5.567 96 H1 G 9 H1 G 9 -8.620 -0.539 8.925 97 1H2 G 9 H21 G 9 -9.065 -0.594 11.104 98 2H2 G 9 H22 G 9 -10.706 -0.590 11.708 99 1H5* G 10 H5' G 10 -17.736 3.304 9.705 100 2H5* G 10 H5'' G 10 -17.576 4.777 8.729 101 H4* G 10 H4' G 10 -16.246 4.595 10.959 102 H3* G 10 H3' G 10 -14.936 5.449 8.319 103 H2* G 10 H2' G 10 -12.930 5.816 9.631 104 2HO* G 10 2HO' G 10 -13.005 5.814 11.891 105 H1* G 10 H1' G 10 -13.123 3.489 11.101 106 H8 G 10 H8 G 10 -14.248 3.139 7.438 107 H1 G 10 H1 G 10 -7.962 2.296 8.409 108 1H2 G 10 H21 G 10 -7.434 2.838 10.495 109 2H2 G 10 H22 G 10 -8.650 3.289 11.671 110 1H5* U 11 H5' U 11 -14.226 9.407 10.922 111 2H5* U 11 H5'' U 11 -13.762 10.446 9.559 112 H4* U 11 H4' U 11 -12.010 9.762 11.459 113 H3* U 11 H3' U 11 -11.417 9.978 8.463 114 H2* U 11 H2' U 11 -9.127 9.399 9.041 115 2HO* U 11 2HO' U 11 -9.358 9.113 11.725 116 H1* U 11 H1' U 11 -9.777 7.372 10.802 117 H3 U 11 H3 U 11 -8.185 5.365 6.995 118 H5 U 11 H5 U 11 -12.200 6.322 6.120 119 H6 U 11 H6 U 11 -12.286 7.548 8.216 120 1H5* C 12 H5' C 12 -8.957 13.755 9.657 121 2H5* C 12 H5'' C 12 -8.994 14.587 8.089 122 H4* C 12 H4' C 12 -6.759 13.485 8.967 123 H3* C 12 H3' C 12 -7.825 13.339 6.104 124 H2* C 12 H2' C 12 -5.913 11.980 5.539 125 2HO* C 12 2HO' C 12 -4.732 12.144 8.064 126 H1* C 12 H1' C 12 -5.919 10.412 7.821 127 1H4 C 12 H41 C 12 -9.144 7.232 3.345 128 2H4 C 12 H42 C 12 -10.650 7.911 3.926 129 H5 C 12 H5 C 12 -10.725 9.515 5.802 130 H6 C 12 H6 C 12 -9.368 10.901 7.285 131 1H5* U 13 H5' U 13 -4.483 16.193 4.642 132 2H5* U 13 H5'' U 13 -5.470 16.859 3.325 133 H4* U 13 H4' U 13 -3.499 15.159 2.818 134 H3* U 13 H3' U 13 -6.260 15.152 1.498 135 H2* U 13 H2' U 13 -5.546 13.229 0.228 136 2HO* U 13 2HO' U 13 -3.162 14.434 0.541 137 H1* U 13 H1' U 13 -4.174 11.955 2.290 138 H3 U 13 H3 U 13 -7.977 9.599 1.128 139 H5 U 13 H5 U 13 -9.140 12.315 4.140 140 H6 U 13 H6 U 13 -6.964 13.377 3.917 141 1H5* U 14 H5' U 14 -3.494 17.359 -2.075 142 2H5* U 14 H5'' U 14 -4.843 18.321 -2.703 143 H4* U 14 H4' U 14 -4.459 17.192 -4.640 144 H3* U 14 H3' U 14 -6.438 15.673 -3.361 145 H2* U 14 H2' U 14 -4.969 13.921 -2.562 146 2HO* U 14 2HO' U 14 -4.888 12.921 -5.142 147 H1* U 14 H1' U 14 -3.337 14.158 -5.122 148 H3 U 14 H3 U 14 -0.078 11.419 -3.605 149 H5 U 14 H5 U 14 -1.535 13.157 -0.049 150 H6 U 14 H6 U 14 -3.136 14.398 -1.388 151 1H5* C 15 H5' C 15 -6.824 12.041 -5.548 152 2H5* C 15 H5'' C 15 -8.492 12.341 -6.074 153 H4* C 15 H4' C 15 -7.747 10.530 -4.113 154 H3* C 15 H3' C 15 -10.214 11.078 -5.171 155 H2* C 15 H2' C 15 -10.486 13.194 -3.913 156 2HO* C 15 2HO' C 15 -12.260 12.666 -2.825 157 H1* C 15 H1' C 15 -9.607 11.691 -1.416 158 1H4 C 15 H41 C 15 -10.456 17.983 -0.115 159 2H4 C 15 H42 C 15 -8.743 18.188 -0.402 160 H5 C 15 H5 C 15 -7.348 16.384 -1.332 161 H6 C 15 H6 C 15 -7.293 14.046 -1.982 162 1H5* G 16 H5' G 16 -8.635 6.276 -2.809 163 2H5* G 16 H5'' G 16 -7.199 6.906 -1.975 164 H4* G 16 H4' G 16 -7.502 6.025 -4.848 165 H3* G 16 H3' G 16 -5.513 5.410 -2.602 166 H2* G 16 H2' G 16 -3.914 4.893 -4.346 167 2HO* G 16 2HO' G 16 -5.917 5.449 -6.283 168 H1* G 16 H1' G 16 -4.416 7.160 -5.807 169 H8 G 16 H8 G 16 -1.981 6.214 -4.017 170 H1 G 16 H1 G 16 -4.108 11.132 -0.488 171 1H2 G 16 H21 G 16 -6.156 11.699 -1.135 172 2H2 G 16 H22 G 16 -7.056 10.740 -2.287 173 1H5* G 17 H5' G 17 -3.166 2.132 -3.765 174 2H5* G 17 H5'' G 17 -3.202 1.294 -2.203 175 H4* G 17 H4' G 17 -1.643 3.465 -2.680 176 H3* G 17 H3' G 17 -2.989 2.588 -0.077 177 H2* G 17 H2' G 17 -2.164 4.604 0.969 178 2HO* G 17 2HO' G 17 -0.172 4.274 -0.668 179 H1* G 17 H1' G 17 -2.833 6.326 -1.042 180 H8 G 17 H8 G 17 -5.286 3.474 -0.993 181 H1 G 17 H1 G 17 -6.587 8.023 3.334 182 1H2 G 17 H21 G 17 -4.871 9.416 3.509 183 2H2 G 17 H22 G 17 -3.505 9.337 2.417 184 1H5* A 18 H5' A 18 0.152 3.669 1.137 185 2H5* A 18 H5'' A 18 1.362 2.670 1.964 186 H4* A 18 H4' A 18 0.918 4.319 3.553 187 H3* A 18 H3' A 18 -1.054 2.040 4.134 188 H2* A 18 H2' A 18 -1.786 3.378 6.012 189 2HO* A 18 2HO' A 18 0.770 4.261 5.840 190 H1* A 18 H1' A 18 -1.724 5.817 4.666 191 H8 A 18 H8 A 18 -3.162 3.091 2.422 192 1H6 A 18 H61 A 18 -8.561 4.109 5.278 193 2H6 A 18 H62 A 18 -7.796 3.398 3.875 194 H2 A 18 H2 A 18 -5.409 6.431 7.435 195 1H5* C 19 H5' C 19 0.683 3.090 7.847 196 2H5* C 19 H5'' C 19 1.118 1.610 8.727 197 H4* C 19 H4' C 19 -0.328 2.999 10.107 198 H3* C 19 H3' C 19 -1.739 0.497 9.054 199 H2* C 19 H2' C 19 -3.590 1.199 10.472 200 2HO* C 19 2HO' C 19 -1.737 1.998 12.050 201 H1* C 19 H1' C 19 -3.405 3.906 9.846 202 1H4 C 19 H41 C 19 -7.847 1.592 5.894 203 2H4 C 19 H42 C 19 -6.624 0.910 4.846 204 H5 C 19 H5 C 19 -4.251 0.809 5.496 205 H6 C 19 H6 C 19 -2.614 1.539 7.149 206 1H5* C 20 H5' C 20 -1.148 -1.315 13.378 207 2H5* C 20 H5'' C 20 -1.012 -2.997 12.828 208 H4* C 20 H4' C 20 -3.075 -2.332 14.245 209 H3* C 20 H3' C 20 -3.302 -3.829 11.582 210 H2* C 20 H2' C 20 -5.689 -3.889 11.956 211 2HO* C 20 2HO' C 20 -5.986 -2.660 14.299 212 H1* C 20 H1' C 20 -5.923 -1.284 12.877 213 1H4 C 20 H41 C 20 -7.243 -1.147 6.646 214 2H4 C 20 H42 C 20 -5.553 -0.905 6.265 215 H5 C 20 H5 C 20 -3.819 -0.797 8.017 216 H6 C 20 H6 C 20 -3.377 -1.108 10.397 217 1H5* G 21 H5' G 21 -5.256 -7.149 14.320 218 2H5* G 21 H5'' G 21 -4.872 -8.509 13.247 219 H4* G 21 H4' G 21 -7.362 -7.935 13.656 220 H3* G 21 H3' G 21 -6.217 -8.269 10.837 221 H2* G 21 H2' G 21 -8.498 -7.972 10.066 222 2HO* G 21 2HO' G 21 -9.046 -8.664 12.742 223 H1* G 21 H1' G 21 -9.146 -5.933 11.833 224 H8 G 21 H8 G 21 -5.608 -5.628 10.392 225 H1 G 21 H1 G 21 -10.224 -3.254 6.618 226 1H2 G 21 H21 G 21 -12.220 -3.844 7.401 227 2H2 G 21 H22 G 21 -12.404 -4.646 8.945 228 1H5* G 22 H5' G 22 -8.276 -12.656 11.760 229 2H5* G 22 H5'' G 22 -7.476 -13.641 10.517 230 H4* G 22 H4' G 22 -10.071 -13.376 10.448 231 H3* G 22 H3' G 22 -8.224 -13.058 8.034 232 H2* G 22 H2' G 22 -10.158 -12.538 6.691 233 2HO* G 22 2HO' G 22 -11.329 -14.256 8.204 234 H1* G 22 H1' G 22 -11.424 -10.899 8.518 235 H8 G 22 H8 G 22 -7.886 -9.926 9.025 236 H1 G 22 H1 G 22 -10.132 -7.954 3.339 237 1H2 G 22 H21 G 22 -12.081 -8.924 2.914 238 2H2 G 22 H22 G 22 -12.762 -10.140 3.972 239 1H5* C 23 H5' C 23 -10.186 -16.689 6.079 240 2H5* C 23 H5'' C 23 -8.703 -17.304 5.323 241 H4* C 23 H4' C 23 -10.560 -16.326 3.796 242 H3* C 23 H3' C 23 -7.615 -15.516 3.590 243 H2* C 23 H2' C 23 -8.242 -14.072 1.761 244 2HO* C 23 2HO' C 23 -9.784 -14.705 0.459 245 H1* C 23 H1' C 23 -10.625 -13.157 2.856 246 1H4 C 23 H41 C 23 -6.267 -8.698 4.144 247 2H4 C 23 H42 C 23 -5.779 -9.548 5.595 248 H5 C 23 H5 C 23 -6.810 -11.687 6.270 249 H6 C 23 H6 C 23 -8.317 -13.473 5.564 250 1H5* U 24 H5' U 24 -8.314 -17.415 -0.275 251 2H5* U 24 H5'' U 24 -6.925 -18.413 -0.748 252 H4* U 24 H4' U 24 -7.358 -16.496 -2.295 253 H3* U 24 H3' U 24 -4.698 -16.591 -0.789 254 H2* U 24 H2' U 24 -4.085 -14.543 -1.867 255 2HO* U 24 2HO' U 24 -6.301 -14.864 -3.632 256 H1* U 24 H1' U 24 -6.645 -13.377 -1.926 257 H3 U 24 H3 U 24 -3.835 -10.741 0.586 258 H5 U 24 H5 U 24 -5.153 -13.785 3.192 259 H6 U 24 H6 U 24 -6.145 -14.897 1.272 260 1H5* U 25 H5' U 25 -3.723 -16.850 -5.552 261 2H5* U 25 H5'' U 25 -2.052 -17.453 -5.505 262 H4* U 25 H4' U 25 -2.619 -15.139 -6.661 263 H3* U 25 H3' U 25 -0.213 -15.724 -4.868 264 H2* U 25 H2' U 25 0.448 -13.416 -5.113 265 2HO* U 25 2HO' U 25 -0.639 -13.717 -7.486 266 H1* U 25 H1' U 25 -2.064 -12.302 -4.842 267 H3 U 25 H3 U 25 0.366 -11.466 -1.019 268 H5 U 25 H5 U 25 -1.331 -15.287 -0.463 269 H6 U 25 H6 U 25 -2.047 -15.224 -2.786 270 1H5* C 26 H5' C 26 1.424 -13.770 -7.467 271 2H5* C 26 H5'' C 26 2.632 -14.484 -8.554 272 H4* C 26 H4' C 26 3.740 -12.634 -7.623 273 H3* C 26 H3' C 26 4.463 -15.121 -5.993 274 H2* C 26 H2' C 26 5.807 -13.712 -4.586 275 2HO* C 26 2HO' C 26 5.510 -11.426 -6.168 276 H1* C 26 H1' C 26 4.119 -11.457 -4.640 277 1H4 C 26 H41 C 26 3.013 -14.314 0.951 278 2H4 C 26 H42 C 26 1.992 -15.510 0.185 279 H5 C 26 H5 C 26 1.681 -15.610 -2.255 280 H6 C 26 H6 C 26 2.325 -14.605 -4.383 281 1H5* C 27 H5' C 27 8.006 -13.578 -5.594 282 2H5* C 27 H5'' C 27 8.958 -14.289 -6.915 283 H4* C 27 H4' C 27 10.422 -14.558 -5.137 284 H3* C 27 H3' C 27 8.625 -17.028 -5.031 285 H2* C 27 H2' C 27 9.925 -17.759 -3.161 286 2HO* C 27 2HO' C 27 11.736 -15.606 -3.542 287 H1* C 27 H1' C 27 10.173 -15.214 -2.008 288 1H4 C 27 H41 C 27 5.498 -18.212 1.116 289 2H4 C 27 H42 C 27 4.327 -17.668 -0.064 290 H5 C 27 H5 C 27 4.969 -16.296 -2.010 291 H6 C 27 H6 C 27 6.857 -15.406 -3.273 292 H3T C 27 H3T C 27 11.260 -17.382 -5.476 Start of MODEL 14 1 1H5* G 1 H5' G 1 6.593 -13.430 11.045 2 2H5* G 1 H5'' G 1 6.356 -11.694 10.757 3 H4* G 1 H4' G 1 8.545 -12.332 9.941 4 H3* G 1 H3' G 1 6.511 -11.815 7.709 5 H2* G 1 H2' G 1 8.320 -12.230 6.138 6 2HO* G 1 2HO' G 1 10.380 -12.839 7.672 7 H1* G 1 H1' G 1 9.261 -14.485 7.369 8 H8 G 1 H8 G 1 5.459 -14.094 7.742 9 H1 G 1 H1 G 1 7.333 -17.191 2.442 10 1H2 G 1 H21 G 1 9.528 -16.991 2.180 11 2H2 G 1 H22 G 1 10.543 -16.272 3.411 12 H5T G 1 H5T G 1 4.755 -13.589 10.062 13 1H5* G 2 H5' G 2 9.796 -10.431 5.930 14 2H5* G 2 H5'' G 2 9.440 -8.787 5.369 15 H4* G 2 H4' G 2 10.072 -10.216 3.492 16 H3* G 2 H3' G 2 7.102 -9.452 3.512 17 H2* G 2 H2' G 2 6.968 -10.578 1.384 18 2HO* G 2 2HO' G 2 9.164 -9.502 0.878 19 H1* G 2 H1' G 2 8.780 -12.641 2.028 20 H8 G 2 H8 G 2 6.485 -12.652 4.917 21 H1 G 2 H1 G 2 3.639 -14.844 -0.397 22 1H2 G 2 H21 G 2 4.885 -14.381 -2.175 23 2H2 G 2 H22 G 2 6.373 -13.467 -2.052 24 1H5* A 3 H5' A 3 8.199 -8.182 -0.069 25 2H5* A 3 H5'' A 3 7.965 -6.449 -0.373 26 H4* A 3 H4' A 3 6.795 -7.448 -2.132 27 H3* A 3 H3' A 3 4.783 -6.980 0.131 28 H2* A 3 H2' A 3 3.114 -7.951 -1.301 29 2HO* A 3 2HO' A 3 4.060 -8.398 -3.612 30 H1* A 3 H1' A 3 4.782 -9.889 -2.485 31 H8 A 3 H8 A 3 4.915 -9.481 1.362 32 1H6 A 3 H61 A 3 0.509 -13.842 1.449 33 2H6 A 3 H62 A 3 1.646 -12.937 2.422 34 H2 A 3 H2 A 3 1.295 -12.757 -2.812 35 1H5* A 4 H5' A 4 3.300 -6.018 -4.119 36 2H5* A 4 H5'' A 4 2.201 -4.645 -3.886 37 H4* A 4 H4' A 4 1.248 -6.676 -5.103 38 H3* A 4 H3' A 4 -0.114 -5.558 -2.600 39 H2* A 4 H2' A 4 -1.796 -7.251 -2.875 40 2HO* A 4 2HO' A 4 -0.885 -7.116 -5.526 41 H1* A 4 H1' A 4 -0.091 -9.282 -3.810 42 H8 A 4 H8 A 4 0.955 -7.209 -0.710 43 1H6 A 4 H61 A 4 -1.622 -11.800 2.558 44 2H6 A 4 H62 A 4 -0.791 -10.264 2.655 45 H2 A 4 H2 A 4 -2.483 -12.536 -1.764 46 1H5* G 5 H5' G 5 -2.538 -6.288 -6.108 47 2H5* G 5 H5'' G 5 -4.026 -5.327 -6.233 48 H4* G 5 H4' G 5 -4.227 -7.910 -6.217 49 H3* G 5 H3' G 5 -5.889 -6.061 -4.447 50 H2* G 5 H2' G 5 -6.889 -7.975 -3.430 51 2HO* G 5 2HO' G 5 -6.460 -8.965 -5.948 52 H1* G 5 H1' G 5 -4.669 -9.714 -3.594 53 H8 G 5 H8 G 5 -3.792 -6.329 -2.094 54 H1 G 5 H1 G 5 -6.263 -10.519 2.095 55 1H2 G 5 H21 G 5 -7.148 -12.246 1.004 56 2H2 G 5 H22 G 5 -6.943 -12.446 -0.722 57 1H5* U 6 H5' U 6 -8.675 -8.824 -4.675 58 2H5* U 6 H5'' U 6 -10.035 -8.065 -5.530 59 H4* U 6 H4' U 6 -10.965 -8.646 -3.455 60 H3* U 6 H3' U 6 -9.985 -5.757 -3.309 61 H2* U 6 H2' U 6 -10.609 -5.704 -1.012 62 2HO* U 6 2HO' U 6 -12.086 -7.888 -0.654 63 H1* U 6 H1' U 6 -10.301 -8.527 -0.514 64 H3 U 6 H3 U 6 -7.492 -7.060 2.727 65 H5 U 6 H5 U 6 -6.021 -5.141 -0.729 66 H6 U 6 H6 U 6 -7.846 -6.143 -1.977 67 1H5* U 7 H5' U 7 -12.563 -3.386 -4.999 68 2H5* U 7 H5'' U 7 -10.960 -2.797 -5.487 69 H4* U 7 H4' U 7 -11.664 -4.112 -2.843 70 H3* U 7 H3' U 7 -11.531 -1.236 -3.606 71 H2* U 7 H2' U 7 -9.367 -0.939 -2.693 72 2HO* U 7 2HO' U 7 -10.286 -0.264 -0.838 73 H1* U 7 H1' U 7 -9.505 -3.609 -1.249 74 H3 U 7 H3 U 7 -5.248 -1.826 -0.434 75 H5 U 7 H5 U 7 -5.247 -3.369 -4.357 76 H6 U 7 H6 U 7 -7.651 -3.640 -4.165 77 1H5* C 8 H5' C 8 -13.761 -3.578 -1.995 78 2H5* C 8 H5'' C 8 -15.533 -3.638 -2.033 79 H4* C 8 H4' C 8 -15.427 -4.681 -0.022 80 H3* C 8 H3' C 8 -14.332 -1.968 0.897 81 H2* C 8 H2' C 8 -13.889 -3.025 3.008 82 2HO* C 8 2HO' C 8 -15.082 -5.453 2.494 83 H1* C 8 H1' C 8 -13.183 -5.537 1.969 84 1H4 C 8 H41 C 8 -7.913 -2.524 3.936 85 2H4 C 8 H42 C 8 -7.636 -1.961 2.303 86 H5 C 8 H5 C 8 -9.299 -2.235 0.515 87 H6 C 8 H6 C 8 -11.481 -3.188 -0.044 88 1H5* G 9 H5' G 9 -17.413 -2.408 3.616 89 2H5* G 9 H5'' G 9 -18.609 -1.095 3.576 90 H4* G 9 H4' G 9 -17.840 -0.992 5.776 91 H3* G 9 H3' G 9 -16.052 0.895 4.150 92 H2* G 9 H2' G 9 -14.903 1.377 6.213 93 2HO* G 9 2HO' G 9 -17.232 0.226 7.370 94 H1* G 9 H1' G 9 -14.943 -1.220 7.220 95 H8 G 9 H8 G 9 -14.105 -0.779 3.472 96 H1 G 9 H1 G 9 -9.069 -0.615 7.453 97 1H2 G 9 H21 G 9 -9.773 -0.567 9.560 98 2H2 G 9 H22 G 9 -11.464 -0.740 9.974 99 1H5* G 10 H5' G 10 -17.849 3.338 7.667 100 2H5* G 10 H5'' G 10 -17.383 5.014 7.310 101 H4* G 10 H4' G 10 -16.323 3.673 9.365 102 H3* G 10 H3' G 10 -14.849 5.609 7.503 103 H2* G 10 H2' G 10 -12.866 5.166 8.826 104 2HO* G 10 2HO' G 10 -14.565 3.708 10.600 105 H1* G 10 H1' G 10 -13.207 2.439 8.984 106 H8 G 10 H8 G 10 -14.370 3.534 5.555 107 H1 G 10 H1 G 10 -7.994 3.148 6.095 108 1H2 G 10 H21 G 10 -7.415 3.018 8.233 109 2H2 G 10 H22 G 10 -8.608 2.791 9.495 110 1H5* U 11 H5' U 11 -14.353 8.194 11.459 111 2H5* U 11 H5'' U 11 -13.983 9.721 10.631 112 H4* U 11 H4' U 11 -12.133 8.424 12.051 113 H3* U 11 H3' U 11 -11.668 9.855 9.391 114 H2* U 11 H2' U 11 -9.334 9.202 9.645 115 2HO* U 11 2HO' U 11 -9.094 7.882 11.828 116 H1* U 11 H1' U 11 -9.837 6.615 10.440 117 H3 U 11 H3 U 11 -8.229 6.723 6.110 118 H5 U 11 H5 U 11 -12.427 7.043 5.806 119 H6 U 11 H6 U 11 -12.502 7.357 8.214 120 1H5* C 12 H5' C 12 -9.192 11.807 12.045 121 2H5* C 12 H5'' C 12 -9.381 13.563 12.241 122 H4* C 12 H4' C 12 -7.123 13.252 11.598 123 H3* C 12 H3' C 12 -8.828 14.025 9.184 124 H2* C 12 H2' C 12 -6.838 13.904 7.828 125 2HO* C 12 2HO' C 12 -4.802 13.413 9.218 126 H1* C 12 H1' C 12 -5.772 11.622 9.007 127 1H4 C 12 H41 C 12 -8.849 9.579 3.836 128 2H4 C 12 H42 C 12 -10.394 9.660 4.657 129 H5 C 12 H5 C 12 -10.591 10.392 7.008 130 H6 C 12 H6 C 12 -9.385 11.371 8.893 131 1H5* U 13 H5' U 13 -5.925 16.708 7.860 132 2H5* U 13 H5'' U 13 -6.972 18.050 7.357 133 H4* U 13 H4' U 13 -5.770 16.663 5.524 134 H3* U 13 H3' U 13 -8.751 17.323 5.468 135 H2* U 13 H2' U 13 -8.913 16.101 3.400 136 2HO* U 13 2HO' U 13 -6.456 15.272 2.932 137 H1* U 13 H1' U 13 -7.349 13.960 4.131 138 H3 U 13 H3 U 13 -11.771 12.665 4.028 139 H5 U 13 H5 U 13 -11.135 14.264 7.882 140 H6 U 13 H6 U 13 -8.958 15.036 7.117 141 1H5* U 14 H5' U 14 -5.509 19.907 2.027 142 2H5* U 14 H5'' U 14 -6.868 20.618 1.143 143 H4* U 14 H4' U 14 -5.378 20.185 -0.576 144 H3* U 14 H3' U 14 -7.550 18.447 -0.711 145 H2* U 14 H2' U 14 -6.463 16.474 0.141 146 2HO* U 14 2HO' U 14 -5.687 15.307 -1.643 147 H1* U 14 H1' U 14 -3.831 17.211 -1.184 148 H3 U 14 H3 U 14 -1.727 14.017 1.272 149 H5 U 14 H5 U 14 -4.778 15.368 3.863 150 H6 U 14 H6 U 14 -5.456 16.913 2.139 151 1H5* C 15 H5' C 15 -6.836 15.377 -3.525 152 2H5* C 15 H5'' C 15 -8.095 15.922 -4.647 153 H4* C 15 H4' C 15 -8.296 13.708 -2.995 154 H3* C 15 H3' C 15 -10.048 14.690 -4.871 155 H2* C 15 H2' C 15 -10.887 16.502 -3.414 156 2HO* C 15 2HO' C 15 -12.435 14.175 -3.557 157 H1* C 15 H1' C 15 -11.147 14.438 -1.189 158 1H4 C 15 H41 C 15 -12.625 20.333 1.045 159 2H4 C 15 H42 C 15 -10.940 20.518 1.472 160 H5 C 15 H5 C 15 -9.242 18.835 0.868 161 H6 C 15 H6 C 15 -8.872 16.680 -0.189 162 1H5* G 16 H5' G 16 -7.915 10.120 -4.346 163 2H5* G 16 H5'' G 16 -7.627 10.364 -2.610 164 H4* G 16 H4' G 16 -5.993 11.318 -4.964 165 H3* G 16 H3' G 16 -5.367 9.796 -2.378 166 H2* G 16 H2' G 16 -3.134 10.713 -2.523 167 2HO* G 16 2HO' G 16 -3.873 11.794 -5.061 168 H1* G 16 H1' G 16 -3.913 13.279 -3.143 169 H8 G 16 H8 G 16 -2.400 12.237 -0.723 170 H1 G 16 H1 G 16 -8.100 13.026 2.101 171 1H2 G 16 H21 G 16 -9.711 13.081 0.578 172 2H2 G 16 H22 G 16 -9.356 13.132 -1.136 173 1H5* G 17 H5' G 17 -2.677 8.977 -4.259 174 2H5* G 17 H5'' G 17 -1.627 7.558 -4.408 175 H4* G 17 H4' G 17 -0.704 8.792 -2.629 176 H3* G 17 H3' G 17 -2.506 6.611 -1.451 177 H2* G 17 H2' G 17 -1.775 7.395 0.725 178 2HO* G 17 2HO' G 17 0.168 8.217 0.932 179 H1* G 17 H1' G 17 -1.982 10.097 0.150 180 H8 G 17 H8 G 17 -4.598 7.670 -1.328 181 H1 G 17 H1 G 17 -6.234 10.347 4.256 182 1H2 G 17 H21 G 17 -4.551 11.545 5.049 183 2H2 G 17 H22 G 17 -3.011 11.646 4.224 184 1H5* A 18 H5' A 18 1.308 6.534 1.019 185 2H5* A 18 H5'' A 18 1.305 4.841 1.551 186 H4* A 18 H4' A 18 1.060 6.719 3.337 187 H3* A 18 H3' A 18 -0.828 4.305 3.206 188 H2* A 18 H2' A 18 -1.850 5.190 5.206 189 2HO* A 18 2HO' A 18 0.432 6.907 5.333 190 H1* A 18 H1' A 18 -1.700 7.882 4.458 191 H8 A 18 H8 A 18 -2.859 5.555 1.634 192 1H6 A 18 H61 A 18 -8.566 6.385 3.882 193 2H6 A 18 H62 A 18 -7.626 5.762 2.547 194 H2 A 18 H2 A 18 -5.686 8.251 6.744 195 1H5* C 19 H5' C 19 0.490 4.544 7.327 196 2H5* C 19 H5'' C 19 0.666 2.876 7.910 197 H4* C 19 H4' C 19 -0.984 4.229 9.214 198 H3* C 19 H3' C 19 -2.029 1.777 7.717 199 H2* C 19 H2' C 19 -4.182 2.267 8.683 200 2HO* C 19 2HO' C 19 -4.295 3.860 10.415 201 H1* C 19 H1' C 19 -3.988 5.062 8.524 202 1H4 C 19 H41 C 19 -7.628 3.322 3.586 203 2H4 C 19 H42 C 19 -6.224 2.810 2.672 204 H5 C 19 H5 C 19 -3.987 2.624 3.702 205 H6 C 19 H6 C 19 -2.683 3.098 5.710 206 1H5* C 20 H5' C 20 -1.938 0.544 12.278 207 2H5* C 20 H5'' C 20 -1.466 -1.168 12.271 208 H4* C 20 H4' C 20 -3.624 -0.730 13.449 209 H3* C 20 H3' C 20 -3.644 -2.516 10.966 210 H2* C 20 H2' C 20 -6.017 -2.812 11.297 211 2HO* C 20 2HO' C 20 -6.828 -2.747 13.261 212 H1* C 20 H1' C 20 -6.600 -0.180 11.892 213 1H4 C 20 H41 C 20 -7.478 -0.911 5.618 214 2H4 C 20 H42 C 20 -5.820 -0.443 5.312 215 H5 C 20 H5 C 20 -4.261 0.121 7.137 216 H6 C 20 H6 C 20 -3.954 0.126 9.558 217 1H5* G 21 H5' G 21 -5.630 -4.685 13.838 218 2H5* G 21 H5'' G 21 -5.197 -6.405 13.886 219 H4* G 21 H4' G 21 -7.562 -6.212 13.425 220 H3* G 21 H3' G 21 -5.946 -7.001 10.947 221 H2* G 21 H2' G 21 -8.070 -7.171 9.802 222 2HO* G 21 2HO' G 21 -8.908 -8.044 12.073 223 H1* G 21 H1' G 21 -9.218 -4.913 10.938 224 H8 G 21 H8 G 21 -5.506 -4.640 9.919 225 H1 G 21 H1 G 21 -9.706 -3.230 5.274 226 1H2 G 21 H21 G 21 -11.765 -3.755 5.932 227 2H2 G 21 H22 G 21 -12.107 -4.260 7.571 228 1H5* G 22 H5' G 22 -8.317 -10.375 12.699 229 2H5* G 22 H5'' G 22 -7.568 -11.985 12.714 230 H4* G 22 H4' G 22 -9.745 -12.121 11.651 231 H3* G 22 H3' G 22 -7.376 -12.398 9.742 232 H2* G 22 H2' G 22 -8.943 -12.645 7.928 233 2HO* G 22 2HO' G 22 -11.007 -12.817 9.896 234 H1* G 22 H1' G 22 -10.743 -10.705 8.745 235 H8 G 22 H8 G 22 -7.306 -9.332 9.461 236 H1 G 22 H1 G 22 -8.926 -9.032 3.251 237 1H2 G 22 H21 G 22 -10.751 -10.244 2.884 238 2H2 G 22 H22 G 22 -11.578 -11.091 4.172 239 1H5* C 23 H5' C 23 -9.872 -14.972 8.438 240 2H5* C 23 H5'' C 23 -9.342 -16.666 8.452 241 H4* C 23 H4' C 23 -10.040 -16.322 6.238 242 H3* C 23 H3' C 23 -7.015 -15.860 6.367 243 H2* C 23 H2' C 23 -7.092 -15.405 4.008 244 2HO* C 23 2HO' C 23 -9.695 -15.922 3.460 245 H1* C 23 H1' C 23 -9.542 -14.048 4.002 246 1H4 C 23 H41 C 23 -5.168 -9.410 3.936 247 2H4 C 23 H42 C 23 -4.603 -9.825 5.539 248 H5 C 23 H5 C 23 -5.546 -11.705 6.822 249 H6 C 23 H6 C 23 -7.134 -13.552 6.760 250 1H5* U 24 H5' U 24 -8.014 -19.249 3.340 251 2H5* U 24 H5'' U 24 -6.477 -19.997 2.864 252 H4* U 24 H4' U 24 -7.955 -18.630 1.115 253 H3* U 24 H3' U 24 -4.902 -18.593 1.338 254 H2* U 24 H2' U 24 -4.894 -17.022 -0.502 255 2HO* U 24 2HO' U 24 -7.552 -16.828 -1.000 256 H1* U 24 H1' U 24 -6.997 -15.475 0.378 257 H3 U 24 H3 U 24 -3.113 -13.090 0.979 258 H5 U 24 H5 U 24 -3.451 -15.549 4.390 259 H6 U 24 H6 U 24 -5.301 -16.684 3.296 260 1H5* U 25 H5' U 25 -5.403 -19.994 -3.208 261 2H5* U 25 H5'' U 25 -3.873 -20.888 -3.295 262 H4* U 25 H4' U 25 -4.245 -18.839 -4.872 263 H3* U 25 H3' U 25 -1.702 -19.289 -3.227 264 H2* U 25 H2' U 25 -0.833 -17.265 -4.224 265 2HO* U 25 2HO' U 25 -2.620 -17.981 -6.177 266 H1* U 25 H1' U 25 -3.167 -15.786 -4.021 267 H3 U 25 H3 U 25 -0.258 -14.088 -0.911 268 H5 U 25 H5 U 25 -1.900 -17.525 0.902 269 H6 U 25 H6 U 25 -2.948 -18.054 -1.226 270 1H5* C 26 H5' C 26 0.547 -19.768 -7.276 271 2H5* C 26 H5'' C 26 1.887 -20.714 -6.595 272 H4* C 26 H4' C 26 2.258 -18.212 -7.402 273 H3* C 26 H3' C 26 3.416 -19.465 -4.860 274 H2* C 26 H2' C 26 4.456 -17.339 -4.410 275 2HO* C 26 2HO' C 26 3.647 -16.292 -6.905 276 H1* C 26 H1' C 26 2.328 -15.740 -5.263 277 1H4 C 26 H41 C 26 1.913 -16.091 1.089 278 2H4 C 26 H42 C 26 1.045 -17.605 0.981 279 H5 C 26 H5 C 26 0.569 -18.695 -1.177 280 H6 C 26 H6 C 26 0.979 -18.603 -3.580 281 1H5* C 27 H5' C 27 6.836 -17.697 -5.986 282 2H5* C 27 H5'' C 27 7.884 -18.959 -6.668 283 H4* C 27 H4' C 27 9.298 -17.841 -5.172 284 H3* C 27 H3' C 27 8.023 -20.146 -3.622 285 H2* C 27 H2' C 27 9.387 -19.496 -1.768 286 2HO* C 27 2HO' C 27 10.838 -17.481 -2.615 287 H1* C 27 H1' C 27 9.088 -16.735 -2.188 288 1H4 C 27 H41 C 27 5.034 -18.350 2.459 289 2H4 C 27 H42 C 27 3.815 -18.780 1.279 290 H5 C 27 H5 C 27 4.230 -18.654 -1.144 291 H6 C 27 H6 C 27 5.930 -18.262 -2.850 292 H3T C 27 H3T C 27 9.465 -21.003 -4.972 Start of MODEL 15 1 1H5* G 1 H5' G 1 11.127 -7.689 8.655 2 2H5* G 1 H5'' G 1 10.032 -6.456 9.314 3 H4* G 1 H4' G 1 9.878 -6.150 6.993 4 H3* G 1 H3' G 1 7.573 -7.909 7.939 5 H2* G 1 H2' G 1 6.905 -8.252 5.693 6 2HO* G 1 2HO' G 1 8.587 -6.188 4.744 7 H1* G 1 H1' G 1 9.436 -8.123 4.464 8 H8 G 1 H8 G 1 7.334 -10.170 6.996 9 H1 G 1 H1 G 1 10.541 -13.609 2.624 10 1H2 G 1 H21 G 1 11.927 -12.286 1.493 11 2H2 G 1 H22 G 1 11.895 -10.546 1.678 12 H5T G 1 H5T G 1 8.618 -7.968 9.870 13 1H5* G 2 H5' G 2 6.934 -3.497 5.676 14 2H5* G 2 H5'' G 2 5.187 -3.264 5.451 15 H4* G 2 H4' G 2 6.794 -2.939 3.412 16 H3* G 2 H3' G 2 4.157 -4.467 3.375 17 H2* G 2 H2' G 2 4.573 -5.140 1.104 18 2HO* G 2 2HO' G 2 6.012 -2.810 1.143 19 H1* G 2 H1' G 2 7.262 -5.701 1.345 20 H8 G 2 H8 G 2 5.603 -6.760 4.563 21 H1 G 2 H1 G 2 4.780 -10.956 -0.225 22 1H2 G 2 H21 G 2 5.383 -10.036 -2.153 23 2H2 G 2 H22 G 2 6.161 -8.470 -2.225 24 1H5* A 3 H5' A 3 4.270 -2.840 -0.057 25 2H5* A 3 H5'' A 3 3.056 -1.595 -0.409 26 H4* A 3 H4' A 3 2.975 -3.075 -2.253 27 H3* A 3 H3' A 3 0.730 -3.747 -0.284 28 H2* A 3 H2' A 3 0.058 -5.502 -1.791 29 2HO* A 3 2HO' A 3 1.468 -5.457 -3.899 30 H1* A 3 H1' A 3 2.622 -6.343 -2.497 31 H8 A 3 H8 A 3 2.276 -5.571 1.239 32 1H6 A 3 H61 A 3 0.358 -11.436 1.825 33 2H6 A 3 H62 A 3 0.910 -10.016 2.684 34 H2 A 3 H2 A 3 0.689 -10.523 -2.534 35 1H5* A 4 H5' A 4 -0.500 -4.380 -4.194 36 2H5* A 4 H5'' A 4 -1.939 -3.391 -4.512 37 H4* A 4 H4' A 4 -2.381 -5.637 -5.267 38 H3* A 4 H3' A 4 -3.807 -5.015 -2.625 39 H2* A 4 H2' A 4 -4.796 -7.206 -2.804 40 2HO* A 4 2HO' A 4 -4.308 -8.362 -4.919 41 H1* A 4 H1' A 4 -2.517 -8.489 -3.822 42 H8 A 4 H8 A 4 -2.027 -6.032 -0.875 43 1H6 A 4 H61 A 4 -2.809 -11.010 2.734 44 2H6 A 4 H62 A 4 -2.272 -9.346 2.689 45 H2 A 4 H2 A 4 -3.564 -12.237 -1.495 46 1H5* G 5 H5' G 5 -6.083 -6.740 -5.728 47 2H5* G 5 H5'' G 5 -7.812 -6.339 -5.771 48 H4* G 5 H4' G 5 -7.036 -8.850 -5.569 49 H3* G 5 H3' G 5 -9.306 -7.554 -3.984 50 H2* G 5 H2' G 5 -9.601 -9.619 -2.815 51 2HO* G 5 2HO' G 5 -7.994 -10.878 -4.812 52 H1* G 5 H1' G 5 -6.899 -10.448 -2.821 53 H8 G 5 H8 G 5 -6.695 -7.053 -1.452 54 H1 G 5 H1 G 5 -9.443 -11.119 2.687 55 1H2 G 5 H21 G 5 -10.125 -12.942 1.614 56 2H2 G 5 H22 G 5 -9.722 -13.230 -0.064 57 1H5* U 6 H5' U 6 -11.321 -10.275 -4.246 58 2H5* U 6 H5'' U 6 -12.856 -10.039 -5.105 59 H4* U 6 H4' U 6 -13.546 -10.444 -2.905 60 H3* U 6 H3' U 6 -13.304 -7.423 -3.286 61 H2* U 6 H2' U 6 -13.714 -7.131 -0.975 62 2HO* U 6 2HO' U 6 -15.010 -8.769 0.143 63 H1* U 6 H1' U 6 -13.015 -9.879 -0.207 64 H3 U 6 H3 U 6 -10.925 -7.622 3.142 65 H5 U 6 H5 U 6 -9.186 -6.026 -0.357 66 H6 U 6 H6 U 6 -10.728 -7.374 -1.655 67 1H5* U 7 H5' U 7 -16.456 -4.615 -4.423 68 2H5* U 7 H5'' U 7 -15.210 -5.332 -5.466 69 H4* U 7 H4' U 7 -14.965 -5.698 -2.501 70 H3* U 7 H3' U 7 -14.457 -3.056 -3.950 71 H2* U 7 H2' U 7 -12.419 -2.826 -2.701 72 2HO* U 7 2HO' U 7 -13.221 -3.309 -0.664 73 H1* U 7 H1' U 7 -11.669 -5.515 -2.710 74 H3 U 7 H3 U 7 -12.008 -3.194 -7.482 75 H5 U 7 H5 U 7 -8.360 -3.845 -5.468 76 H6 U 7 H6 U 7 -9.638 -4.696 -3.582 77 1H5* C 8 H5' C 8 -16.657 -4.660 -1.318 78 2H5* C 8 H5'' C 8 -18.426 -4.742 -1.406 79 H4* C 8 H4' C 8 -18.623 -4.541 0.849 80 H3* C 8 H3' C 8 -16.521 -2.314 0.683 81 H2* C 8 H2' C 8 -16.260 -2.584 3.058 82 2HO* C 8 2HO' C 8 -18.766 -3.928 2.854 83 H1* C 8 H1' C 8 -16.598 -5.385 3.088 84 1H4 C 8 H41 C 8 -10.383 -4.224 3.842 85 2H4 C 8 H42 C 8 -10.160 -4.131 2.109 86 H5 C 8 H5 C 8 -12.032 -4.399 0.530 87 H6 C 8 H6 C 8 -14.456 -4.578 0.338 88 1H5* G 9 H5' G 9 -18.737 -1.653 3.882 89 2H5* G 9 H5'' G 9 -19.619 -0.112 3.877 90 H4* G 9 H4' G 9 -18.636 -0.084 5.986 91 H3* G 9 H3' G 9 -16.610 1.252 4.111 92 H2* G 9 H2' G 9 -15.198 1.522 6.036 93 2HO* G 9 2HO' G 9 -16.426 0.769 8.139 94 H1* G 9 H1' G 9 -15.840 -0.920 7.262 95 H8 G 9 H8 G 9 -14.992 -0.675 3.468 96 H1 G 9 H1 G 9 -10.082 -2.136 7.337 97 1H2 G 9 H21 G 9 -10.758 -2.127 9.456 98 2H2 G 9 H22 G 9 -12.351 -1.566 9.911 99 1H5* G 10 H5' G 10 -17.536 4.003 7.939 100 2H5* G 10 H5'' G 10 -16.725 5.516 7.486 101 H4* G 10 H4' G 10 -15.924 4.066 9.588 102 H3* G 10 H3' G 10 -14.123 5.555 7.606 103 H2* G 10 H2' G 10 -12.240 4.744 8.902 104 2HO* G 10 2HO' G 10 -14.282 4.189 10.793 105 H1* G 10 H1' G 10 -13.144 2.164 9.172 106 H8 G 10 H8 G 10 -14.144 3.576 5.770 107 H1 G 10 H1 G 10 -8.146 1.324 6.018 108 1H2 G 10 H21 G 10 -7.536 1.013 8.130 109 2H2 G 10 H22 G 10 -8.690 1.117 9.443 110 1H5* U 11 H5' U 11 -12.847 7.911 11.585 111 2H5* U 11 H5'' U 11 -12.324 9.383 10.743 112 H4* U 11 H4' U 11 -10.578 7.963 12.099 113 H3* U 11 H3' U 11 -10.067 9.079 9.302 114 H2* U 11 H2' U 11 -7.832 8.132 9.528 115 2HO* U 11 2HO' U 11 -8.551 7.582 12.238 116 H1* U 11 H1' U 11 -8.638 5.719 10.571 117 H3 U 11 H3 U 11 -7.294 5.148 6.197 118 H5 U 11 H5 U 11 -11.371 6.238 6.012 119 H6 U 11 H6 U 11 -11.263 6.754 8.382 120 1H5* C 12 H5' C 12 -7.242 10.793 11.662 121 2H5* C 12 H5'' C 12 -7.174 12.559 11.842 122 H4* C 12 H4' C 12 -5.013 12.011 11.116 123 H3* C 12 H3' C 12 -6.704 12.738 8.676 124 H2* C 12 H2' C 12 -4.759 12.322 7.313 125 2HO* C 12 2HO' C 12 -3.466 13.331 9.254 126 H1* C 12 H1' C 12 -3.916 10.035 8.642 127 1H4 C 12 H41 C 12 -7.355 7.967 3.710 128 2H4 C 12 H42 C 12 -8.850 8.236 4.580 129 H5 C 12 H5 C 12 -8.899 9.218 6.840 130 H6 C 12 H6 C 12 -7.540 10.207 8.612 131 1H5* U 13 H5' U 13 -4.153 16.339 7.640 132 2H5* U 13 H5'' U 13 -5.445 17.075 6.669 133 H4* U 13 H4' U 13 -3.388 15.801 5.531 134 H3* U 13 H3' U 13 -6.311 15.775 4.629 135 H2* U 13 H2' U 13 -5.664 14.241 2.865 136 2HO* U 13 2HO' U 13 -3.047 13.916 3.429 137 H1* U 13 H1' U 13 -4.207 12.556 4.427 138 H3 U 13 H3 U 13 -8.467 10.777 3.754 139 H5 U 13 H5 U 13 -8.693 13.112 7.256 140 H6 U 13 H6 U 13 -6.474 13.959 6.747 141 1H5* U 14 H5' U 14 -5.732 16.351 -0.166 142 2H5* U 14 H5'' U 14 -4.609 15.943 1.136 143 H4* U 14 H4' U 14 -4.892 18.746 0.052 144 H3* U 14 H3' U 14 -3.804 16.702 -1.544 145 H2* U 14 H2' U 14 -1.835 16.277 -0.284 146 2HO* U 14 2HO' U 14 -0.191 17.579 -1.078 147 H1* U 14 H1' U 14 -1.590 19.119 0.696 148 H3 U 14 H3 U 14 1.789 17.079 3.062 149 H5 U 14 H5 U 14 -1.714 14.996 4.186 150 H6 U 14 H6 U 14 -2.917 16.317 2.573 151 1H5* C 15 H5' C 15 -3.162 16.856 -5.612 152 2H5* C 15 H5'' C 15 -4.901 16.773 -5.268 153 H4* C 15 H4' C 15 -3.561 14.590 -5.922 154 H3* C 15 H3' C 15 -6.034 14.790 -4.706 155 H2* C 15 H2' C 15 -5.048 14.972 -2.450 156 2HO* C 15 2HO' C 15 -6.536 12.997 -2.966 157 H1* C 15 H1' C 15 -3.327 12.600 -3.350 158 1H4 C 15 H41 C 15 0.566 13.784 1.568 159 2H4 C 15 H42 C 15 -0.870 13.874 2.563 160 H5 C 15 H5 C 15 -3.115 14.211 1.581 161 H6 C 15 H6 C 15 -4.398 14.100 -0.461 162 1H5* G 16 H5' G 16 -5.772 8.966 -4.021 163 2H5* G 16 H5'' G 16 -5.527 10.566 -3.288 164 H4* G 16 H4' G 16 -3.611 9.956 -5.446 165 H3* G 16 H3' G 16 -3.594 8.248 -2.893 166 H2* G 16 H2' G 16 -1.173 8.329 -3.102 167 2HO* G 16 2HO' G 16 -0.237 8.715 -4.992 168 H1* G 16 H1' G 16 -1.091 11.036 -3.602 169 H8 G 16 H8 G 16 0.158 9.556 -1.360 170 H1 G 16 H1 G 16 -4.938 11.636 1.902 171 1H2 G 16 H21 G 16 -6.597 12.112 0.517 172 2H2 G 16 H22 G 16 -6.371 12.135 -1.220 173 1H5* G 17 H5' G 17 -1.350 6.544 -4.689 174 2H5* G 17 H5'' G 17 -0.853 4.848 -4.752 175 H4* G 17 H4' G 17 0.394 5.830 -2.986 176 H3* G 17 H3' G 17 -1.986 4.295 -1.811 177 H2* G 17 H2' G 17 -1.015 4.818 0.360 178 2HO* G 17 2HO' G 17 1.237 4.815 -1.069 179 H1* G 17 H1' G 17 -0.493 7.464 -0.211 180 H8 G 17 H8 G 17 -3.634 6.044 -1.850 181 H1 G 17 H1 G 17 -4.616 8.444 4.004 182 1H2 G 17 H21 G 17 -2.695 8.961 4.948 183 2H2 G 17 H22 G 17 -1.160 8.722 4.139 184 1H5* A 18 H5' A 18 1.593 2.954 0.679 185 2H5* A 18 H5'' A 18 0.953 1.412 1.282 186 H4* A 18 H4' A 18 1.374 3.451 2.928 187 H3* A 18 H3' A 18 -1.096 1.634 2.996 188 H2* A 18 H2' A 18 -1.769 2.907 4.937 189 2HO* A 18 2HO' A 18 0.708 2.882 5.507 190 H1* A 18 H1' A 18 -0.900 5.389 3.981 191 H8 A 18 H8 A 18 -2.749 3.561 1.227 192 1H6 A 18 H61 A 18 -7.939 5.800 3.723 193 2H6 A 18 H62 A 18 -7.267 4.864 2.408 194 H2 A 18 H2 A 18 -4.612 6.540 6.619 195 1H5* C 19 H5' C 19 0.326 1.648 6.968 196 2H5* C 19 H5'' C 19 0.295 -0.004 7.616 197 H4* C 19 H4' C 19 -1.028 1.542 9.006 198 H3* C 19 H3' C 19 -2.635 -0.584 7.503 199 H2* C 19 H2' C 19 -4.580 0.288 8.658 200 2HO* C 19 2HO' C 19 -3.244 0.509 10.673 201 H1* C 19 H1' C 19 -3.930 2.966 8.373 202 1H4 C 19 H41 C 19 -7.808 1.603 3.498 203 2H4 C 19 H42 C 19 -6.452 1.051 2.537 204 H5 C 19 H5 C 19 -4.216 0.682 3.518 205 H6 C 19 H6 C 19 -2.857 0.979 5.523 206 1H5* C 20 H5' C 20 -2.409 -2.281 12.001 207 2H5* C 20 H5'' C 20 -2.704 -4.017 11.779 208 H4* C 20 H4' C 20 -4.415 -2.630 13.154 209 H3* C 20 H3' C 20 -5.187 -4.554 10.909 210 H2* C 20 H2' C 20 -7.498 -3.980 11.307 211 2HO* C 20 2HO' C 20 -6.748 -3.818 13.763 212 H1* C 20 H1' C 20 -7.122 -1.259 11.601 213 1H4 C 20 H41 C 20 -8.555 -2.385 5.477 214 2H4 C 20 H42 C 20 -6.853 -2.369 5.078 215 H5 C 20 H5 C 20 -5.104 -2.112 6.792 216 H6 C 20 H6 C 20 -4.677 -1.967 9.189 217 1H5* G 21 H5' G 21 -7.606 -5.690 13.725 218 2H5* G 21 H5'' G 21 -7.474 -7.360 14.314 219 H4* G 21 H4' G 21 -9.703 -7.281 13.654 220 H3* G 21 H3' G 21 -8.175 -8.144 11.144 221 H2* G 21 H2' G 21 -10.356 -8.280 10.096 222 2HO* G 21 2HO' G 21 -11.972 -8.936 11.291 223 H1* G 21 H1' G 21 -11.375 -5.961 11.243 224 H8 G 21 H8 G 21 -7.708 -5.914 10.001 225 H1 G 21 H1 G 21 -12.106 -4.326 5.603 226 1H2 G 21 H21 G 21 -14.147 -4.703 6.407 227 2H2 G 21 H22 G 21 -14.411 -5.153 8.076 228 1H5* G 22 H5' G 22 -10.597 -11.686 12.737 229 2H5* G 22 H5'' G 22 -9.557 -13.119 12.860 230 H4* G 22 H4' G 22 -11.493 -13.843 11.703 231 H3* G 22 H3' G 22 -9.201 -13.285 9.763 232 H2* G 22 H2' G 22 -10.669 -13.849 7.938 233 2HO* G 22 2HO' G 22 -12.838 -14.717 8.560 234 H1* G 22 H1' G 22 -12.929 -12.580 8.880 235 H8 G 22 H8 G 22 -9.842 -10.477 9.668 236 H1 G 22 H1 G 22 -12.074 -9.777 3.678 237 1H2 G 22 H21 G 22 -13.631 -11.307 3.268 238 2H2 G 22 H22 G 22 -14.114 -12.485 4.466 239 1H5* C 23 H5' C 23 -10.354 -16.867 8.441 240 2H5* C 23 H5'' C 23 -9.142 -18.147 8.647 241 H4* C 23 H4' C 23 -9.674 -18.266 6.369 242 H3* C 23 H3' C 23 -7.195 -16.501 6.686 243 H2* C 23 H2' C 23 -7.215 -16.192 4.295 244 2HO* C 23 2HO' C 23 -8.306 -18.650 4.400 245 H1* C 23 H1' C 23 -9.958 -15.940 3.994 246 1H4 C 23 H41 C 23 -7.891 -9.929 4.394 247 2H4 C 23 H42 C 23 -7.537 -10.098 6.099 248 H5 C 23 H5 C 23 -7.981 -12.188 7.328 249 H6 C 23 H6 C 23 -8.618 -14.531 7.093 250 1H5* U 24 H5' U 24 -5.834 -20.172 4.137 251 2H5* U 24 H5'' U 24 -4.059 -20.167 4.204 252 H4* U 24 H4' U 24 -5.319 -19.715 1.922 253 H3* U 24 H3' U 24 -2.883 -18.169 2.945 254 H2* U 24 H2' U 24 -3.012 -16.813 0.972 255 2HO* U 24 2HO' U 24 -4.803 -17.768 -0.603 256 H1* U 24 H1' U 24 -5.821 -16.762 0.761 257 H3 U 24 H3 U 24 -4.264 -12.480 1.394 258 H5 U 24 H5 U 24 -4.472 -14.182 5.248 259 H6 U 24 H6 U 24 -4.920 -16.328 4.194 260 1H5* U 25 H5' U 25 -2.049 -20.112 -1.332 261 2H5* U 25 H5'' U 25 -0.277 -20.175 -1.429 262 H4* U 25 H4' U 25 -1.622 -18.899 -3.277 263 H3* U 25 H3' U 25 0.882 -17.836 -1.887 264 H2* U 25 H2' U 25 0.670 -15.812 -3.183 265 2HO* U 25 2HO' U 25 0.188 -16.860 -5.169 266 H1* U 25 H1' U 25 -2.065 -15.529 -2.951 267 H3 U 25 H3 U 25 -0.100 -12.322 -0.314 268 H5 U 25 H5 U 25 -0.128 -15.822 2.041 269 H6 U 25 H6 U 25 -0.865 -17.048 0.075 270 1H5* C 26 H5' C 26 2.209 -17.112 -6.225 271 2H5* C 26 H5'' C 26 3.895 -17.637 -6.050 272 H4* C 26 H4' C 26 3.436 -15.186 -6.752 273 H3* C 26 H3' C 26 5.325 -15.945 -4.467 274 H2* C 26 H2' C 26 5.740 -13.607 -4.132 275 2HO* C 26 2HO' C 26 5.484 -12.136 -5.752 276 H1* C 26 H1' C 26 3.143 -12.695 -4.738 277 1H4 C 26 H41 C 26 3.685 -12.545 1.609 278 2H4 C 26 H42 C 26 3.309 -14.250 1.715 279 H5 C 26 H5 C 26 2.902 -15.632 -0.283 280 H6 C 26 H6 C 26 2.952 -15.659 -2.721 281 1H5* C 27 H5' C 27 7.434 -12.737 -5.500 282 2H5* C 27 H5'' C 27 8.610 -13.428 -6.634 283 H4* C 27 H4' C 27 9.955 -12.077 -5.291 284 H3* C 27 H3' C 27 9.897 -14.812 -3.929 285 H2* C 27 H2' C 27 11.405 -13.914 -2.309 286 2HO* C 27 2HO' C 27 12.550 -12.026 -2.682 287 H1* C 27 H1' C 27 10.180 -11.387 -2.189 288 1H4 C 27 H41 C 27 8.321 -14.998 2.783 289 2H4 C 27 H42 C 27 6.740 -15.088 2.040 290 H5 C 27 H5 C 27 6.356 -14.436 -0.306 291 H6 C 27 H6 C 27 7.354 -13.357 -2.254 292 H3T C 27 H3T C 27 11.717 -15.076 -5.083 Start of MODEL 16 1 1H5* G 1 H5' G 1 8.384 -10.001 10.755 2 2H5* G 1 H5'' G 1 7.555 -8.433 10.829 3 H4* G 1 H4' G 1 9.285 -8.132 9.246 4 H3* G 1 H3' G 1 6.664 -8.747 7.781 5 H2* G 1 H2' G 1 7.914 -8.436 5.719 6 2HO* G 1 2HO' G 1 9.870 -7.389 7.496 7 H1* G 1 H1' G 1 10.049 -9.980 6.461 8 H8 G 1 H8 G 1 6.804 -11.264 8.039 9 H1 G 1 H1 G 1 7.909 -13.459 2.110 10 1H2 G 1 H21 G 1 9.593 -12.354 1.189 11 2H2 G 1 H22 G 1 10.546 -11.196 2.093 12 H5T G 1 H5T G 1 5.817 -9.343 10.125 13 1H5* G 2 H5' G 2 8.612 -6.132 5.389 14 2H5* G 2 H5'' G 2 7.492 -4.838 4.927 15 H4* G 2 H4' G 2 8.470 -5.996 2.972 16 H3* G 2 H3' G 2 5.449 -6.383 3.337 17 H2* G 2 H2' G 2 5.528 -7.504 1.199 18 2HO* G 2 2HO' G 2 8.075 -6.236 0.976 19 H1* G 2 H1' G 2 8.039 -8.731 1.622 20 H8 G 2 H8 G 2 6.361 -9.712 4.691 21 H1 G 2 H1 G 2 3.584 -12.477 -0.384 22 1H2 G 2 H21 G 2 4.283 -11.502 -2.256 23 2H2 G 2 H22 G 2 5.288 -10.070 -2.231 24 1H5* A 3 H5' A 3 5.827 -5.200 -0.383 25 2H5* A 3 H5'' A 3 4.858 -3.782 -0.834 26 H4* A 3 H4' A 3 4.288 -5.458 -2.405 27 H3* A 3 H3' A 3 2.163 -5.377 -0.198 28 H2* A 3 H2' A 3 1.009 -7.098 -1.420 29 2HO* A 3 2HO' A 3 2.326 -5.875 -3.508 30 H1* A 3 H1' A 3 3.310 -8.476 -2.280 31 H8 A 3 H8 A 3 3.211 -7.454 1.441 32 1H6 A 3 H61 A 3 0.564 -12.978 2.366 33 2H6 A 3 H62 A 3 1.135 -11.516 3.138 34 H2 A 3 H2 A 3 0.887 -12.330 -2.041 35 1H5* A 4 H5' A 4 0.616 -5.787 -4.367 36 2H5* A 4 H5'' A 4 -0.807 -4.731 -4.468 37 H4* A 4 H4' A 4 -1.206 -7.078 -5.264 38 H3* A 4 H3' A 4 -2.822 -6.077 -2.859 39 H2* A 4 H2' A 4 -3.976 -8.188 -2.919 40 2HO* A 4 2HO' A 4 -2.949 -9.384 -5.082 41 H1* A 4 H1' A 4 -1.742 -9.751 -3.603 42 H8 A 4 H8 A 4 -1.255 -7.111 -0.832 43 1H6 A 4 H61 A 4 -2.900 -11.624 3.079 44 2H6 A 4 H62 A 4 -2.172 -10.039 2.948 45 H2 A 4 H2 A 4 -3.452 -13.140 -1.085 46 1H5* G 5 H5' G 5 -4.954 -8.017 -6.095 47 2H5* G 5 H5'' G 5 -6.596 -7.386 -6.333 48 H4* G 5 H4' G 5 -6.296 -9.933 -5.984 49 H3* G 5 H3' G 5 -8.316 -8.244 -4.435 50 H2* G 5 H2' G 5 -8.943 -10.195 -3.207 51 2HO* G 5 2HO' G 5 -7.621 -12.146 -4.536 52 H1* G 5 H1' G 5 -6.418 -11.469 -3.201 53 H8 G 5 H8 G 5 -6.098 -7.898 -1.996 54 H1 G 5 H1 G 5 -8.147 -12.003 2.497 55 1H2 G 5 H21 G 5 -8.778 -13.912 1.544 56 2H2 G 5 H22 G 5 -8.502 -14.229 -0.154 57 1H5* U 6 H5' U 6 -10.563 -11.417 -4.383 58 2H5* U 6 H5'' U 6 -12.054 -11.001 -5.254 59 H4* U 6 H4' U 6 -12.736 -11.555 -3.044 60 H3* U 6 H3' U 6 -12.600 -8.547 -3.482 61 H2* U 6 H2' U 6 -12.897 -8.157 -1.174 62 2HO* U 6 2HO' U 6 -14.388 -9.294 -0.042 63 H1* U 6 H1' U 6 -12.186 -10.855 -0.273 64 H3 U 6 H3 U 6 -9.790 -8.583 2.835 65 H5 U 6 H5 U 6 -8.505 -6.867 -0.796 66 H6 U 6 H6 U 6 -10.119 -8.268 -1.947 67 1H5* U 7 H5' U 7 -16.121 -7.473 -4.273 68 2H5* U 7 H5'' U 7 -15.332 -6.292 -5.337 69 H4* U 7 H4' U 7 -14.516 -7.239 -2.595 70 H3* U 7 H3' U 7 -14.827 -4.507 -3.932 71 H2* U 7 H2' U 7 -13.028 -3.686 -2.601 72 2HO* U 7 2HO' U 7 -12.643 -4.459 -0.588 73 H1* U 7 H1' U 7 -11.583 -6.125 -2.343 74 H3 U 7 H3 U 7 -11.552 -3.699 -7.075 75 H5 U 7 H5 U 7 -8.326 -3.539 -4.361 76 H6 U 7 H6 U 7 -9.693 -4.777 -2.778 77 1H5* C 8 H5' C 8 -15.913 -6.809 -0.796 78 2H5* C 8 H5'' C 8 -17.295 -7.795 -0.287 79 H4* C 8 H4' C 8 -17.940 -6.165 1.365 80 H3* C 8 H3' C 8 -15.766 -4.386 0.137 81 H2* C 8 H2' C 8 -15.401 -3.513 2.348 82 2HO* C 8 2HO' C 8 -16.959 -3.602 3.909 83 H1* C 8 H1' C 8 -15.833 -5.939 3.722 84 1H4 C 8 H41 C 8 -9.511 -5.122 3.578 85 2H4 C 8 H42 C 8 -9.436 -5.571 1.888 86 H5 C 8 H5 C 8 -11.461 -5.866 0.518 87 H6 C 8 H6 C 8 -13.895 -5.983 0.574 88 1H5* G 9 H5' G 9 -18.870 -2.133 2.736 89 2H5* G 9 H5'' G 9 -18.732 -0.412 2.321 90 H4* G 9 H4' G 9 -18.302 -1.171 4.785 91 H3* G 9 H3' G 9 -16.443 0.713 3.240 92 H2* G 9 H2' G 9 -15.110 0.842 5.236 93 2HO* G 9 2HO' G 9 -15.943 0.368 7.234 94 H1* G 9 H1' G 9 -15.427 -1.829 6.022 95 H8 G 9 H8 G 9 -14.631 -1.304 2.300 96 H1 G 9 H1 G 9 -9.501 -1.544 6.153 97 1H2 G 9 H21 G 9 -10.155 -1.545 8.283 98 2H2 G 9 H22 G 9 -11.843 -1.462 8.731 99 1H5* G 10 H5' G 10 -17.699 2.823 7.283 100 2H5* G 10 H5'' G 10 -17.155 4.488 6.993 101 H4* G 10 H4' G 10 -16.045 2.953 8.885 102 H3* G 10 H3' G 10 -14.574 4.920 7.049 103 H2* G 10 H2' G 10 -12.557 4.293 8.243 104 2HO* G 10 2HO' G 10 -13.018 4.124 10.337 105 H1* G 10 H1' G 10 -13.062 1.584 8.276 106 H8 G 10 H8 G 10 -14.258 2.965 4.954 107 H1 G 10 H1 G 10 -7.916 2.046 5.232 108 1H2 G 10 H21 G 10 -7.280 1.761 7.341 109 2H2 G 10 H22 G 10 -8.445 1.554 8.631 110 1H5* U 11 H5' U 11 -14.001 7.465 11.069 111 2H5* U 11 H5'' U 11 -13.558 8.977 10.249 112 H4* U 11 H4' U 11 -11.772 7.586 11.662 113 H3* U 11 H3' U 11 -11.229 8.978 8.992 114 H2* U 11 H2' U 11 -8.926 8.236 9.298 115 2HO* U 11 2HO' U 11 -9.783 8.128 11.929 116 H1* U 11 H1' U 11 -9.564 5.677 10.087 117 H3 U 11 H3 U 11 -7.850 5.730 5.795 118 H5 U 11 H5 U 11 -12.014 6.276 5.390 119 H6 U 11 H6 U 11 -12.141 6.529 7.801 120 1H5* C 12 H5' C 12 -9.005 12.070 11.909 121 2H5* C 12 H5'' C 12 -9.243 13.544 10.950 122 H4* C 12 H4' C 12 -6.823 12.743 11.341 123 H3* C 12 H3' C 12 -7.922 13.359 8.552 124 H2* C 12 H2' C 12 -5.694 12.879 7.709 125 2HO* C 12 2HO' C 12 -4.453 13.897 9.273 126 H1* C 12 H1' C 12 -5.307 10.608 9.197 127 1H4 C 12 H41 C 12 -7.809 8.827 3.606 128 2H4 C 12 H42 C 12 -9.356 8.611 4.392 129 H5 C 12 H5 C 12 -9.793 9.410 6.679 130 H6 C 12 H6 C 12 -8.781 10.434 8.659 131 1H5* U 13 H5' U 13 -6.149 17.769 8.483 132 2H5* U 13 H5'' U 13 -7.151 18.080 7.051 133 H4* U 13 H4' U 13 -4.504 17.376 6.946 134 H3* U 13 H3' U 13 -6.711 16.788 4.896 135 H2* U 13 H2' U 13 -4.974 15.684 3.603 136 2HO* U 13 2HO' U 13 -3.404 17.402 4.489 137 H1* U 13 H1' U 13 -3.968 14.240 5.707 138 H3 U 13 H3 U 13 -6.723 11.580 3.047 139 H5 U 13 H5 U 13 -9.176 13.198 6.068 140 H6 U 13 H6 U 13 -7.316 14.623 6.711 141 1H5* U 14 H5' U 14 -6.579 18.691 1.204 142 2H5* U 14 H5'' U 14 -5.207 18.452 2.289 143 H4* U 14 H4' U 14 -6.147 21.022 1.000 144 H3* U 14 H3' U 14 -4.221 19.287 -0.011 145 H2* U 14 H2' U 14 -2.590 19.520 1.739 146 2HO* U 14 2HO' U 14 -2.152 20.952 -0.373 147 H1* U 14 H1' U 14 -3.222 22.440 2.189 148 H3 U 14 H3 U 14 -0.877 22.241 6.082 149 H5 U 14 H5 U 14 -2.718 18.438 5.880 150 H6 U 14 H6 U 14 -3.670 19.111 3.776 151 1H5* C 15 H5' C 15 -3.694 19.535 -4.197 152 2H5* C 15 H5'' C 15 -5.467 19.585 -4.112 153 H4* C 15 H4' C 15 -4.476 17.353 -4.793 154 H3* C 15 H3' C 15 -6.777 17.606 -3.340 155 H2* C 15 H2' C 15 -5.563 17.777 -1.188 156 2HO* C 15 2HO' C 15 -7.241 16.152 -1.139 157 H1* C 15 H1' C 15 -4.047 15.279 -2.101 158 1H4 C 15 H41 C 15 0.333 17.170 2.236 159 2H4 C 15 H42 C 15 -1.003 17.322 3.355 160 H5 C 15 H5 C 15 -3.346 17.094 2.640 161 H6 C 15 H6 C 15 -4.814 16.734 0.751 162 1H5* G 16 H5' G 16 -6.888 11.902 -3.021 163 2H5* G 16 H5'' G 16 -5.761 11.913 -1.649 164 H4* G 16 H4' G 16 -5.232 12.679 -4.529 165 H3* G 16 H3' G 16 -3.940 10.705 -2.578 166 H2* G 16 H2' G 16 -1.934 10.949 -3.934 167 2HO* G 16 2HO' G 16 -3.703 12.389 -5.658 168 H1* G 16 H1' G 16 -2.042 13.688 -3.965 169 H8 G 16 H8 G 16 -0.047 11.782 -2.638 170 H1 G 16 H1 G 16 -3.145 13.674 2.644 171 1H2 G 16 H21 G 16 -5.100 14.581 2.086 172 2H2 G 16 H22 G 16 -5.704 14.526 0.447 173 1H5* G 17 H5' G 17 -1.383 8.062 -4.934 174 2H5* G 17 H5'' G 17 -1.878 6.592 -4.080 175 H4* G 17 H4' G 17 -0.025 8.343 -3.111 176 H3* G 17 H3' G 17 -1.985 6.559 -1.578 177 H2* G 17 H2' G 17 -1.116 7.511 0.471 178 2HO* G 17 2HO' G 17 0.713 8.991 0.304 179 H1* G 17 H1' G 17 -1.170 10.115 -0.349 180 H8 G 17 H8 G 17 -3.946 8.301 -2.091 181 H1 G 17 H1 G 17 -5.414 9.867 3.953 182 1H2 G 17 H21 G 17 -3.599 10.532 5.024 183 2H2 G 17 H22 G 17 -2.074 10.778 4.200 184 1H5* A 18 H5' A 18 1.150 6.528 0.639 185 2H5* A 18 H5'' A 18 1.696 4.920 1.155 186 H4* A 18 H4' A 18 1.187 6.301 3.101 187 H3* A 18 H3' A 18 -0.838 4.055 2.603 188 H2* A 18 H2' A 18 -1.918 4.760 4.637 189 2HO* A 18 2HO' A 18 0.618 5.921 5.113 190 H1* A 18 H1' A 18 -1.498 7.512 4.283 191 H8 A 18 H8 A 18 -2.780 6.002 1.052 192 1H6 A 18 H61 A 18 -8.448 6.691 3.432 193 2H6 A 18 H62 A 18 -7.535 6.189 2.028 194 H2 A 18 H2 A 18 -5.496 7.399 6.713 195 1H5* C 19 H5' C 19 -0.032 3.987 6.320 196 2H5* C 19 H5'' C 19 0.663 2.511 7.021 197 H4* C 19 H4' C 19 -1.152 2.970 8.430 198 H3* C 19 H3' C 19 -2.133 1.022 6.288 199 H2* C 19 H2' C 19 -4.270 1.087 7.403 200 2HO* C 19 2HO' C 19 -2.656 1.937 9.546 201 H1* C 19 H1' C 19 -4.222 3.818 8.044 202 1H4 C 19 H41 C 19 -7.832 3.415 2.799 203 2H4 C 19 H42 C 19 -6.427 3.153 1.789 204 H5 C 19 H5 C 19 -4.192 2.722 2.742 205 H6 C 19 H6 C 19 -2.891 2.674 4.806 206 1H5* C 20 H5' C 20 -1.623 -1.187 10.514 207 2H5* C 20 H5'' C 20 -1.762 -2.935 10.235 208 H4* C 20 H4' C 20 -3.473 -1.732 11.819 209 H3* C 20 H3' C 20 -4.172 -3.786 9.672 210 H2* C 20 H2' C 20 -6.505 -3.486 10.200 211 2HO* C 20 2HO' C 20 -6.989 -3.162 12.232 212 H1* C 20 H1' C 20 -6.468 -0.739 10.455 213 1H4 C 20 H41 C 20 -8.090 -2.091 4.429 214 2H4 C 20 H42 C 20 -6.422 -1.912 3.933 215 H5 C 20 H5 C 20 -4.628 -1.387 5.542 216 H6 C 20 H6 C 20 -4.088 -1.165 7.912 217 1H5* G 21 H5' G 21 -6.107 -4.864 12.644 218 2H5* G 21 H5'' G 21 -5.913 -6.400 13.514 219 H4* G 21 H4' G 21 -8.146 -6.569 12.965 220 H3* G 21 H3' G 21 -6.716 -7.576 10.448 221 H2* G 21 H2' G 21 -8.901 -7.862 9.482 222 2HO* G 21 2HO' G 21 -9.944 -8.906 11.148 223 H1* G 21 H1' G 21 -10.059 -5.573 10.630 224 H8 G 21 H8 G 21 -6.547 -5.461 8.953 225 H1 G 21 H1 G 21 -11.493 -3.872 5.180 226 1H2 G 21 H21 G 21 -13.400 -4.084 6.305 227 2H2 G 21 H22 G 21 -13.455 -4.823 7.889 228 1H5* G 22 H5' G 22 -8.562 -11.169 12.947 229 2H5* G 22 H5'' G 22 -7.600 -12.640 12.689 230 H4* G 22 H4' G 22 -9.991 -13.010 12.209 231 H3* G 22 H3' G 22 -8.068 -13.172 9.836 232 H2* G 22 H2' G 22 -9.970 -13.713 8.444 233 2HO* G 22 2HO' G 22 -12.051 -13.756 10.021 234 H1* G 22 H1' G 22 -11.704 -11.856 9.520 235 H8 G 22 H8 G 22 -8.363 -10.140 9.450 236 H1 G 22 H1 G 22 -11.104 -10.535 3.656 237 1H2 G 22 H21 G 22 -12.884 -11.864 3.750 238 2H2 G 22 H22 G 22 -13.270 -12.789 5.184 239 1H5* C 23 H5' C 23 -9.707 -16.828 9.402 240 2H5* C 23 H5'' C 23 -8.529 -18.151 9.517 241 H4* C 23 H4' C 23 -9.548 -18.364 7.381 242 H3* C 23 H3' C 23 -6.816 -17.003 7.137 243 H2* C 23 H2' C 23 -7.187 -16.919 4.753 244 2HO* C 23 2HO' C 23 -9.005 -18.966 5.392 245 H1* C 23 H1' C 23 -9.879 -16.252 4.853 246 1H4 C 23 H41 C 23 -6.821 -10.713 4.114 247 2H4 C 23 H42 C 23 -6.369 -10.679 5.805 248 H5 C 23 H5 C 23 -7.039 -12.460 7.376 249 H6 C 23 H6 C 23 -8.045 -14.677 7.551 250 1H5* U 24 H5' U 24 -6.469 -20.737 4.635 251 2H5* U 24 H5'' U 24 -4.741 -21.126 4.500 252 H4* U 24 H4' U 24 -6.052 -20.389 2.364 253 H3* U 24 H3' U 24 -3.329 -19.258 3.186 254 H2* U 24 H2' U 24 -3.412 -17.848 1.251 255 2HO* U 24 2HO' U 24 -4.203 -19.805 0.004 256 H1* U 24 H1' U 24 -6.181 -17.355 1.277 257 H3 U 24 H3 U 24 -3.974 -13.365 1.866 258 H5 U 24 H5 U 24 -4.054 -15.173 5.678 259 H6 U 24 H6 U 24 -4.904 -17.190 4.621 260 1H5* U 25 H5' U 25 -3.255 -20.959 -1.265 261 2H5* U 25 H5'' U 25 -1.523 -21.038 -1.649 262 H4* U 25 H4' U 25 -3.185 -19.460 -3.020 263 H3* U 25 H3' U 25 -0.312 -18.833 -2.187 264 H2* U 25 H2' U 25 -0.574 -16.641 -3.159 265 2HO* U 25 2HO' U 25 -1.955 -16.293 -4.764 266 H1* U 25 H1' U 25 -3.129 -16.146 -2.227 267 H3 U 25 H3 U 25 -0.325 -13.489 0.234 268 H5 U 25 H5 U 25 -0.048 -17.300 2.022 269 H6 U 25 H6 U 25 -1.356 -18.178 0.172 270 1H5* C 26 H5' C 26 0.501 -17.734 -6.483 271 2H5* C 26 H5'' C 26 1.877 -18.829 -6.725 272 H4* C 26 H4' C 26 2.411 -16.403 -7.090 273 H3* C 26 H3' C 26 3.895 -17.931 -4.893 274 H2* C 26 H2' C 26 5.112 -15.921 -4.420 275 2HO* C 26 2HO' C 26 5.692 -15.424 -6.543 276 H1* C 26 H1' C 26 3.012 -14.107 -4.931 277 1H4 C 26 H41 C 26 3.604 -14.556 1.403 278 2H4 C 26 H42 C 26 2.499 -15.913 1.425 279 H5 C 26 H5 C 26 1.688 -16.985 -0.638 280 H6 C 26 H6 C 26 1.747 -16.900 -3.076 281 1H5* C 27 H5' C 27 8.530 -18.303 -5.427 282 2H5* C 27 H5'' C 27 7.360 -17.951 -4.140 283 H4* C 27 H4' C 27 9.214 -15.915 -5.426 284 H3* C 27 H3' C 27 9.370 -17.409 -2.771 285 H2* C 27 H2' C 27 10.350 -15.438 -1.814 286 2HO* C 27 2HO' C 27 10.310 -14.090 -4.292 287 H1* C 27 H1' C 27 8.577 -13.672 -2.979 288 1H4 C 27 H41 C 27 6.299 -15.354 2.762 289 2H4 C 27 H42 C 27 5.165 -16.424 1.968 290 H5 C 27 H5 C 27 5.361 -17.007 -0.415 291 H6 C 27 H6 C 27 6.541 -16.503 -2.490 292 H3T C 27 H3T C 27 11.658 -17.117 -3.407 Start of MODEL 17 1 1H5* G 1 H5' G 1 13.703 -8.120 4.959 2 2H5* G 1 H5'' G 1 12.878 -7.135 6.185 3 H4* G 1 H4' G 1 11.968 -6.497 4.075 4 H3* G 1 H3' G 1 10.098 -8.337 5.632 5 H2* G 1 H2' G 1 8.610 -8.390 3.792 6 2HO* G 1 2HO' G 1 8.744 -6.726 2.157 7 H1* G 1 H1' G 1 10.482 -8.131 1.708 8 H8 G 1 H8 G 1 9.444 -10.467 4.626 9 H1 G 1 H1 G 1 10.334 -13.321 -1.057 10 1H2 G 1 H21 G 1 11.079 -11.837 -2.537 11 2H2 G 1 H22 G 1 11.544 -10.218 -2.063 12 H5T G 1 H5T G 1 12.499 -9.863 5.543 13 1H5* G 2 H5' G 2 8.998 -3.803 4.137 14 2H5* G 2 H5'' G 2 7.387 -3.371 4.747 15 H4* G 2 H4' G 2 7.881 -2.913 2.261 16 H3* G 2 H3' G 2 5.420 -4.427 3.241 17 H2* G 2 H2' G 2 4.763 -4.806 0.957 18 2HO* G 2 2HO' G 2 5.924 -3.670 -0.746 19 H1* G 2 H1' G 2 7.253 -5.393 -0.067 20 H8 G 2 H8 G 2 7.010 -6.837 3.422 21 H1 G 2 H1 G 2 4.189 -10.451 -1.073 22 1H2 G 2 H21 G 2 4.144 -9.357 -3.006 23 2H2 G 2 H22 G 2 4.613 -7.675 -3.124 24 1H5* A 3 H5' A 3 4.109 -1.643 0.280 25 2H5* A 3 H5'' A 3 2.506 -0.988 0.674 26 H4* A 3 H4' A 3 2.609 -2.241 -1.500 27 H3* A 3 H3' A 3 0.740 -3.241 0.707 28 H2* A 3 H2' A 3 0.034 -4.983 -0.802 29 2HO* A 3 2HO' A 3 1.306 -3.353 -2.769 30 H1* A 3 H1' A 3 2.534 -5.539 -1.879 31 H8 A 3 H8 A 3 2.640 -4.919 1.903 32 1H6 A 3 H61 A 3 1.432 -10.969 2.475 33 2H6 A 3 H62 A 3 1.966 -9.529 3.313 34 H2 A 3 H2 A 3 1.090 -9.899 -1.849 35 1H5* A 4 H5' A 4 -0.839 -3.345 -2.995 36 2H5* A 4 H5'' A 4 -2.485 -2.715 -3.211 37 H4* A 4 H4' A 4 -2.236 -4.983 -4.154 38 H3* A 4 H3' A 4 -4.080 -4.706 -1.727 39 H2* A 4 H2' A 4 -4.547 -7.058 -1.929 40 2HO* A 4 2HO' A 4 -3.550 -6.631 -4.547 41 H1* A 4 H1' A 4 -1.960 -7.864 -2.603 42 H8 A 4 H8 A 4 -2.054 -5.245 0.193 43 1H6 A 4 H61 A 4 -2.705 -10.038 4.066 44 2H6 A 4 H62 A 4 -2.315 -8.338 3.947 45 H2 A 4 H2 A 4 -2.970 -11.595 -0.115 46 1H5* G 5 H5' G 5 -5.538 -7.017 -4.864 47 2H5* G 5 H5'' G 5 -7.275 -6.875 -5.199 48 H4* G 5 H4' G 5 -6.348 -9.227 -4.757 49 H3* G 5 H3' G 5 -8.731 -8.109 -3.197 50 H2* G 5 H2' G 5 -8.828 -10.188 -2.010 51 2HO* G 5 2HO' G 5 -8.378 -12.011 -3.015 52 H1* G 5 H1' G 5 -6.050 -10.697 -1.968 53 H8 G 5 H8 G 5 -6.571 -7.189 -0.767 54 H1 G 5 H1 G 5 -8.034 -11.617 3.646 55 1H2 G 5 H21 G 5 -8.071 -13.637 2.704 56 2H2 G 5 H22 G 5 -7.931 -13.845 0.974 57 1H5* U 6 H5' U 6 -10.336 -10.965 -3.645 58 2H5* U 6 H5'' U 6 -11.803 -11.114 -4.635 59 H4* U 6 H4' U 6 -12.689 -11.641 -2.565 60 H3* U 6 H3' U 6 -12.760 -8.586 -2.676 61 H2* U 6 H2' U 6 -13.451 -8.568 -0.405 62 2HO* U 6 2HO' U 6 -14.940 -10.588 -1.328 63 H1* U 6 H1' U 6 -12.355 -11.176 0.278 64 H3 U 6 H3 U 6 -10.696 -8.739 3.733 65 H5 U 6 H5 U 6 -9.106 -6.820 0.330 66 H6 U 6 H6 U 6 -10.418 -8.330 -1.046 67 1H5* U 7 H5' U 7 -15.490 -6.980 -4.566 68 2H5* U 7 H5'' U 7 -14.034 -6.186 -5.201 69 H4* U 7 H4' U 7 -14.484 -7.043 -2.320 70 H3* U 7 H3' U 7 -14.664 -4.326 -3.689 71 H2* U 7 H2' U 7 -13.339 -3.355 -1.989 72 2HO* U 7 2HO' U 7 -14.359 -3.595 -0.155 73 H1* U 7 H1' U 7 -12.179 -5.823 -0.958 74 H3 U 7 H3 U 7 -9.851 -3.208 -4.959 75 H5 U 7 H5 U 7 -8.402 -3.151 -0.998 76 H6 U 7 H6 U 7 -10.343 -4.461 -0.347 77 1H5* C 8 H5' C 8 -16.382 -6.932 -0.979 78 2H5* C 8 H5'' C 8 -17.904 -7.756 -0.594 79 H4* C 8 H4' C 8 -18.716 -5.802 0.599 80 H3* C 8 H3' C 8 -16.125 -4.455 -0.333 81 H2* C 8 H2' C 8 -16.138 -3.268 1.758 82 2HO* C 8 2HO' C 8 -17.986 -2.875 2.847 83 H1* C 8 H1' C 8 -17.190 -5.386 3.309 84 1H4 C 8 H41 C 8 -10.988 -5.264 4.733 85 2H4 C 8 H42 C 8 -10.535 -5.796 3.129 86 H5 C 8 H5 C 8 -12.197 -6.205 1.357 87 H6 C 8 H6 C 8 -14.564 -6.074 0.783 88 1H5* G 9 H5' G 9 -19.362 -1.730 1.678 89 2H5* G 9 H5'' G 9 -19.051 -0.138 0.960 90 H4* G 9 H4' G 9 -19.040 -0.292 3.520 91 H3* G 9 H3' G 9 -16.661 0.890 1.992 92 H2* G 9 H2' G 9 -15.662 1.336 4.131 93 2HO* G 9 2HO' G 9 -16.895 1.429 6.006 94 H1* G 9 H1' G 9 -16.596 -0.979 5.427 95 H8 G 9 H8 G 9 -14.988 -1.212 1.905 96 H1 G 9 H1 G 9 -10.959 -2.003 6.844 97 1H2 G 9 H21 G 9 -12.023 -1.616 8.758 98 2H2 G 9 H22 G 9 -13.710 -1.157 8.804 99 1H5* G 10 H5' G 10 -18.398 3.886 5.270 100 2H5* G 10 H5'' G 10 -17.641 5.429 4.823 101 H4* G 10 H4' G 10 -17.177 4.351 7.188 102 H3* G 10 H3' G 10 -15.038 5.596 5.382 103 H2* G 10 H2' G 10 -13.463 5.113 7.160 104 2HO* G 10 2HO' G 10 -15.849 4.809 8.649 105 H1* G 10 H1' G 10 -14.368 2.568 7.672 106 H8 G 10 H8 G 10 -14.576 3.373 3.937 107 H1 G 10 H1 G 10 -8.788 1.406 5.897 108 1H2 G 10 H21 G 10 -8.706 1.386 8.118 109 2H2 G 10 H22 G 10 -10.133 1.656 9.095 110 1H5* U 11 H5' U 11 -14.950 8.986 8.815 111 2H5* U 11 H5'' U 11 -14.013 10.162 7.873 112 H4* U 11 H4' U 11 -12.981 8.931 10.015 113 H3* U 11 H3' U 11 -11.489 9.568 7.416 114 H2* U 11 H2' U 11 -9.542 8.593 8.492 115 2HO* U 11 2HO' U 11 -10.919 9.379 10.715 116 H1* U 11 H1' U 11 -10.870 6.438 9.611 117 H3 U 11 H3 U 11 -8.170 4.946 6.195 118 H5 U 11 H5 U 11 -11.748 6.190 4.337 119 H6 U 11 H6 U 11 -12.451 7.106 6.475 120 1H5* C 12 H5' C 12 -9.370 12.660 10.223 121 2H5* C 12 H5'' C 12 -8.952 13.937 9.062 122 H4* C 12 H4' C 12 -7.022 12.631 10.180 123 H3* C 12 H3' C 12 -7.237 13.043 7.156 124 H2* C 12 H2' C 12 -5.169 11.808 6.927 125 2HO* C 12 2HO' C 12 -5.011 12.073 9.769 126 H1* C 12 H1' C 12 -5.784 9.805 8.708 127 1H4 C 12 H41 C 12 -7.622 7.882 2.897 128 2H4 C 12 H42 C 12 -9.262 8.370 3.263 129 H5 C 12 H5 C 12 -9.849 9.581 5.323 130 H6 C 12 H6 C 12 -8.966 10.540 7.386 131 1H5* U 13 H5' U 13 -3.975 16.541 7.761 132 2H5* U 13 H5'' U 13 -4.568 17.519 6.402 133 H4* U 13 H4' U 13 -2.219 16.368 6.240 134 H3* U 13 H3' U 13 -4.323 16.314 4.015 135 H2* U 13 H2' U 13 -2.729 15.061 2.695 136 2HO* U 13 2HO' U 13 -1.001 16.452 4.242 137 H1* U 13 H1' U 13 -1.839 13.418 4.750 138 H3 U 13 H3 U 13 -4.389 11.129 1.606 139 H5 U 13 H5 U 13 -7.023 12.347 4.666 140 H6 U 13 H6 U 13 -5.229 13.718 5.564 141 1H5* U 14 H5' U 14 -1.305 19.946 2.341 142 2H5* U 14 H5'' U 14 -2.595 20.806 1.483 143 H4* U 14 H4' U 14 -1.347 20.403 -0.372 144 H3* U 14 H3' U 14 -3.097 18.214 -0.288 145 H2* U 14 H2' U 14 -1.504 16.617 0.593 146 2HO* U 14 2HO' U 14 -0.428 16.580 -1.988 147 H1* U 14 H1' U 14 0.704 17.927 -1.038 148 H3 U 14 H3 U 14 3.963 15.555 1.007 149 H5 U 14 H5 U 14 1.008 15.808 4.005 150 H6 U 14 H6 U 14 -0.370 17.063 2.449 151 1H5* C 15 H5' C 15 -1.673 15.523 -3.318 152 2H5* C 15 H5'' C 15 -3.110 15.654 -4.351 153 H4* C 15 H4' C 15 -2.474 13.439 -2.844 154 H3* C 15 H3' C 15 -4.595 13.872 -4.521 155 H2* C 15 H2' C 15 -5.815 15.298 -2.903 156 2HO* C 15 2HO' C 15 -7.566 14.015 -2.399 157 H1* C 15 H1' C 15 -5.261 13.159 -0.805 158 1H4 C 15 H41 C 15 -8.321 18.148 1.937 159 2H4 C 15 H42 C 15 -6.749 18.818 2.305 160 H5 C 15 H5 C 15 -4.669 17.860 1.396 161 H6 C 15 H6 C 15 -3.722 16.021 0.129 162 1H5* G 16 H5' G 16 -4.017 8.670 -2.047 163 2H5* G 16 H5'' G 16 -3.288 10.280 -2.219 164 H4* G 16 H4' G 16 -2.684 8.693 -4.560 165 H3* G 16 H3' G 16 -1.959 7.395 -1.877 166 H2* G 16 H2' G 16 0.124 6.742 -2.948 167 2HO* G 16 2HO' G 16 -1.402 7.242 -5.210 168 H1* G 16 H1' G 16 0.616 9.213 -4.037 169 H8 G 16 H8 G 16 1.983 7.564 -1.718 170 H1 G 16 H1 G 16 -0.431 12.463 1.654 171 1H2 G 16 H21 G 16 -1.980 13.514 0.464 172 2H2 G 16 H22 G 16 -2.554 12.883 -1.063 173 1H5* G 17 H5' G 17 0.363 4.274 -2.955 174 2H5* G 17 H5'' G 17 -0.137 3.110 -1.715 175 H4* G 17 H4' G 17 1.460 5.229 -1.177 176 H3* G 17 H3' G 17 -0.602 3.842 0.587 177 H2* G 17 H2' G 17 -0.353 5.545 2.260 178 2HO* G 17 2HO' G 17 1.402 7.126 1.964 179 H1* G 17 H1' G 17 -0.271 7.726 0.598 180 H8 G 17 H8 G 17 -2.552 5.100 -0.846 181 H1 G 17 H1 G 17 -5.349 8.785 3.604 182 1H2 G 17 H21 G 17 -3.806 9.974 4.673 183 2H2 G 17 H22 G 17 -2.137 10.003 4.148 184 1H5* A 18 H5' A 18 1.581 4.341 3.283 185 2H5* A 18 H5'' A 18 2.499 2.981 3.964 186 H4* A 18 H4' A 18 1.362 3.648 5.859 187 H3* A 18 H3' A 18 -0.638 1.820 4.422 188 H2* A 18 H2' A 18 -2.172 2.301 6.211 189 2HO* A 18 2HO' A 18 0.227 2.950 7.544 190 H1* A 18 H1' A 18 -1.450 4.994 6.538 191 H8 A 18 H8 A 18 -1.974 3.745 2.918 192 1H6 A 18 H61 A 18 -7.846 5.560 3.691 193 2H6 A 18 H62 A 18 -6.715 4.810 2.588 194 H2 A 18 H2 A 18 -5.758 5.946 7.621 195 1H5* C 19 H5' C 19 -0.358 0.947 8.724 196 2H5* C 19 H5'' C 19 -0.879 -0.722 9.031 197 H4* C 19 H4' C 19 -2.232 1.223 10.096 198 H3* C 19 H3' C 19 -3.554 -1.062 8.558 199 H2* C 19 H2' C 19 -5.661 -0.022 9.110 200 2HO* C 19 2HO' C 19 -4.204 1.616 10.941 201 H1* C 19 H1' C 19 -4.795 2.632 8.857 202 1H4 C 19 H41 C 19 -7.930 1.372 3.456 203 2H4 C 19 H42 C 19 -6.618 0.378 2.863 204 H5 C 19 H5 C 19 -4.547 0.035 4.155 205 H6 C 19 H6 C 19 -3.478 0.386 6.320 206 1H5* C 20 H5' C 20 -4.379 -1.796 13.070 207 2H5* C 20 H5'' C 20 -4.579 -3.540 13.334 208 H4* C 20 H4' C 20 -6.593 -2.061 13.862 209 H3* C 20 H3' C 20 -6.782 -4.445 11.960 210 H2* C 20 H2' C 20 -9.096 -3.923 11.610 211 2HO* C 20 2HO' C 20 -9.363 -1.886 13.429 212 H1* C 20 H1' C 20 -8.864 -1.138 11.651 213 1H4 C 20 H41 C 20 -9.253 -2.870 5.538 214 2H4 C 20 H42 C 20 -7.511 -3.002 5.446 215 H5 C 20 H5 C 20 -6.059 -2.580 7.400 216 H6 C 20 H6 C 20 -6.036 -2.175 9.809 217 1H5* G 21 H5' G 21 -9.797 -5.447 14.433 218 2H5* G 21 H5'' G 21 -9.540 -6.985 15.281 219 H4* G 21 H4' G 21 -11.491 -7.500 14.161 220 H3* G 21 H3' G 21 -9.286 -8.088 12.123 221 H2* G 21 H2' G 21 -11.013 -8.612 10.545 222 2HO* G 21 2HO' G 21 -13.262 -8.496 11.968 223 H1* G 21 H1' G 21 -12.876 -6.683 11.404 224 H8 G 21 H8 G 21 -9.085 -6.068 10.665 225 H1 G 21 H1 G 21 -13.180 -4.360 6.027 226 1H2 G 21 H21 G 21 -15.267 -4.812 6.659 227 2H2 G 21 H22 G 21 -15.612 -5.712 8.119 228 1H5* G 22 H5' G 22 -11.430 -11.924 13.484 229 2H5* G 22 H5'' G 22 -10.238 -13.122 14.030 230 H4* G 22 H4' G 22 -11.625 -14.386 12.640 231 H3* G 22 H3' G 22 -9.283 -13.360 10.967 232 H2* G 22 H2' G 22 -10.275 -14.415 9.037 233 2HO* G 22 2HO' G 22 -12.057 -15.657 10.898 234 H1* G 22 H1' G 22 -12.882 -13.679 9.536 235 H8 G 22 H8 G 22 -10.490 -10.887 10.568 236 H1 G 22 H1 G 22 -11.945 -10.936 4.311 237 1H2 G 22 H21 G 22 -13.061 -12.789 3.808 238 2H2 G 22 H22 G 22 -13.398 -14.024 5.001 239 1H5* C 23 H5' C 23 -8.512 -17.805 10.363 240 2H5* C 23 H5'' C 23 -6.760 -17.812 10.080 241 H4* C 23 H4' C 23 -8.350 -18.392 8.106 242 H3* C 23 H3' C 23 -6.068 -16.362 7.880 243 H2* C 23 H2' C 23 -6.686 -16.107 5.561 244 2HO* C 23 2HO' C 23 -8.239 -18.469 5.984 245 H1* C 23 H1' C 23 -9.445 -16.227 5.945 246 1H4 C 23 H41 C 23 -7.871 -10.058 5.461 247 2H4 C 23 H42 C 23 -7.676 -9.963 7.197 248 H5 C 23 H5 C 23 -7.610 -11.978 8.619 249 H6 C 23 H6 C 23 -7.963 -14.393 8.655 250 1H5* U 24 H5' U 24 -4.997 -19.686 5.088 251 2H5* U 24 H5'' U 24 -3.246 -19.691 4.802 252 H4* U 24 H4' U 24 -4.882 -19.053 2.850 253 H3* U 24 H3' U 24 -2.335 -17.511 3.561 254 H2* U 24 H2' U 24 -2.850 -15.998 1.772 255 2HO* U 24 2HO' U 24 -4.693 -16.703 0.323 256 H1* U 24 H1' U 24 -5.643 -16.020 2.080 257 H3 U 24 H3 U 24 -3.782 -11.828 2.742 258 H5 U 24 H5 U 24 -3.787 -13.745 6.500 259 H6 U 24 H6 U 24 -4.416 -15.801 5.371 260 1H5* U 25 H5' U 25 -2.848 -18.680 -0.323 261 2H5* U 25 H5'' U 25 -1.568 -19.429 -1.299 262 H4* U 25 H4' U 25 -2.691 -17.630 -2.537 263 H3* U 25 H3' U 25 0.219 -17.117 -1.752 264 H2* U 25 H2' U 25 0.061 -14.978 -2.864 265 2HO* U 25 2HO' U 25 -1.516 -14.548 -4.345 266 H1* U 25 H1' U 25 -2.443 -14.294 -1.935 267 H3 U 25 H3 U 25 0.634 -11.678 0.254 268 H5 U 25 H5 U 25 0.547 -15.311 2.395 269 H6 U 25 H6 U 25 -0.840 -16.233 0.627 270 1H5* C 26 H5' C 26 0.137 -16.731 -6.093 271 2H5* C 26 H5'' C 26 1.699 -17.198 -6.797 272 H4* C 26 H4' C 26 0.943 -14.728 -7.002 273 H3* C 26 H3' C 26 3.709 -15.565 -6.002 274 H2* C 26 H2' C 26 4.236 -13.250 -5.694 275 2HO* C 26 2HO' C 26 1.909 -12.413 -7.063 276 H1* C 26 H1' C 26 1.652 -12.383 -4.947 277 1H4 C 26 H41 C 26 5.144 -12.457 0.371 278 2H4 C 26 H42 C 26 4.804 -14.157 0.604 279 H5 C 26 H5 C 26 3.421 -15.445 -0.982 280 H6 C 26 H6 C 26 2.326 -15.386 -3.161 281 1H5* C 27 H5' C 27 7.428 -14.342 -9.060 282 2H5* C 27 H5'' C 27 7.025 -14.908 -7.427 283 H4* C 27 H4' C 27 7.248 -12.002 -8.287 284 H3* C 27 H3' C 27 9.122 -13.823 -6.712 285 H2* C 27 H2' C 27 9.753 -11.913 -5.402 286 2HO* C 27 2HO' C 27 9.125 -10.615 -7.651 287 H1* C 27 H1' C 27 7.181 -10.966 -5.059 288 1H4 C 27 H41 C 27 8.557 -14.850 -0.153 289 2H4 C 27 H42 C 27 7.560 -16.084 -0.891 290 H5 C 27 H5 C 27 6.460 -15.751 -3.071 291 H6 C 27 H6 C 27 6.301 -14.275 -5.009 292 H3T C 27 H3T C 27 10.630 -12.573 -7.922
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