USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 188 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 DT C7 :methyl 150:sc= -1.3 (180deg=0) USER MOD Set 1.2: B 12 DT C7 :methyl 150:sc= -1.25 (180deg=0) USER MOD Set 2.1: A 4 DT C7 :methyl -30:sc= -0.548 (180deg=0) USER MOD Set 2.2: B 16 DT C7 :methyl 150:sc= -0.569 (180deg=0) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 160:sc= 0.918 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl -30:sc= 0 (180deg=-0.505) USER MOD Single : B 16 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -9.392 6.169 1.228 1.00 0.00 O ATOM 2 C5' DT A 1 -9.757 4.815 1.036 1.00 0.00 C ATOM 3 C4' DT A 1 -11.269 4.615 1.078 1.00 0.00 C ATOM 4 O4' DT A 1 -11.850 4.938 -0.162 1.00 0.00 O ATOM 5 C3' DT A 1 -11.624 3.145 1.333 1.00 0.00 C ATOM 6 O3' DT A 1 -11.898 2.954 2.709 1.00 0.00 O ATOM 7 C2' DT A 1 -12.868 2.916 0.486 1.00 0.00 C ATOM 8 C1' DT A 1 -13.089 4.269 -0.202 1.00 0.00 C ATOM 9 N1 DT A 1 -13.487 4.107 -1.617 1.00 0.00 N ATOM 10 C2 DT A 1 -14.736 4.596 -2.014 1.00 0.00 C ATOM 11 O2 DT A 1 -15.549 5.104 -1.257 1.00 0.00 O ATOM 12 N3 DT A 1 -15.049 4.466 -3.367 1.00 0.00 N ATOM 13 C4 DT A 1 -14.228 3.885 -4.315 1.00 0.00 C ATOM 14 O4 DT A 1 -14.652 3.839 -5.472 1.00 0.00 O ATOM 15 C5 DT A 1 -12.934 3.392 -3.842 1.00 0.00 C ATOM 16 C7 DT A 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2.534 -0.462 2.005 1.00 0.00 H new ATOM 94 P DT A 4 -5.885 -5.913 -1.752 1.00 0.00 P ATOM 95 OP1 DT A 4 -7.158 -5.611 -1.063 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.559 -7.313 -2.094 1.00 0.00 O ATOM 97 O5' DT A 4 -5.730 -5.038 -3.101 1.00 0.00 O ATOM 98 C5' DT A 4 -4.492 -5.105 -3.778 1.00 0.00 C ATOM 99 C4' DT A 4 -4.366 -4.327 -5.094 1.00 0.00 C ATOM 100 O4' DT A 4 -3.242 -3.470 -4.951 1.00 0.00 O ATOM 101 C3' DT A 4 -4.000 -5.300 -6.236 1.00 0.00 C ATOM 102 O3' DT A 4 -4.188 -4.813 -7.558 1.00 0.00 O ATOM 103 C2' DT A 4 -2.507 -5.437 -6.023 1.00 0.00 C ATOM 104 C1' DT A 4 -2.184 -3.977 -5.751 1.00 0.00 C ATOM 105 N1 DT A 4 -0.853 -3.900 -5.106 1.00 0.00 N ATOM 106 C2 DT A 4 0.262 -3.765 -5.939 1.00 0.00 C ATOM 107 O2 DT A 4 0.195 -3.596 -7.154 1.00 0.00 O ATOM 108 N3 DT A 4 1.503 -3.873 -5.337 1.00 0.00 N ATOM 109 C4 DT A 4 1.727 -4.073 -3.988 1.00 0.00 C ATOM 110 O4 DT A 4 2.895 -4.164 -3.613 1.00 0.00 O ATOM 111 C5 DT A 4 0.517 -4.192 -3.168 1.00 0.00 C ATOM 112 C7 DT A 4 0.614 -4.401 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-5.943 -0.735 -2.962 1.00 0.00 C ATOM 169 N9 DG A 6 -4.851 -0.598 -3.931 1.00 0.00 N ATOM 170 C8 DG A 6 -4.974 -0.704 -5.280 1.00 0.00 C ATOM 171 N7 DG A 6 -3.855 -0.610 -5.951 1.00 0.00 N ATOM 172 C5 DG A 6 -2.893 -0.546 -4.919 1.00 0.00 C ATOM 173 C6 DG A 6 -1.451 -0.570 -4.946 1.00 0.00 C ATOM 174 O6 DG A 6 -0.674 -0.583 -5.897 1.00 0.00 O ATOM 175 N1 DG A 6 -0.882 -0.649 -3.689 1.00 0.00 N ATOM 176 C2 DG A 6 -1.582 -0.718 -2.527 1.00 0.00 C ATOM 177 N2 DG A 6 -0.866 -0.814 -1.433 1.00 0.00 N ATOM 178 N3 DG A 6 -2.911 -0.685 -2.451 1.00 0.00 N ATOM 179 C4 DG A 6 -3.505 -0.603 -3.681 1.00 0.00 C ATOM 0 H5' DG A 6 -7.597 -1.724 -5.739 1.00 0.00 H new ATOM 0 H5'' DG A 6 -7.490 -3.402 -5.247 1.00 0.00 H new ATOM 0 H4' DG A 6 -8.266 -2.815 -3.069 1.00 0.00 H new ATOM 0 H3' DG A 6 -9.143 -0.266 -3.859 1.00 0.00 H new ATOM 0 H2' DG A 6 -7.025 0.719 -4.150 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.211 0.937 -2.421 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.582 -0.500 -1.961 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.928 -0.855 -5.764 1.00 0.00 H new ATOM 0 H1 DG A 6 0.136 -0.656 -3.630 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.327 -0.870 -0.525 1.00 0.00 H new ATOM 0 H22 DG A 6 0.152 -0.833 -1.490 1.00 0.00 H new ATOM 191 P DC A 7 -9.627 0.217 -1.031 1.00 0.00 P ATOM 192 OP1 DC A 7 -10.665 -0.497 -0.248 1.00 0.00 O ATOM 193 OP2 DC A 7 -9.980 1.399 -1.844 1.00 0.00 O ATOM 194 O5' DC A 7 -8.393 0.560 -0.059 1.00 0.00 O ATOM 195 C5' DC A 7 -7.854 1.864 0.027 1.00 0.00 C ATOM 196 C4' DC A 7 -6.421 1.895 0.571 1.00 0.00 C ATOM 197 O4' DC A 7 -5.460 1.212 -0.202 1.00 0.00 O ATOM 198 C3' DC A 7 -5.992 3.355 0.664 1.00 0.00 C ATOM 199 O3' DC A 7 -6.473 3.932 1.861 1.00 0.00 O ATOM 200 C2' DC A 7 -4.482 3.248 0.586 1.00 0.00 C ATOM 201 C1' DC A 7 -4.230 1.917 -0.123 1.00 0.00 C ATOM 202 N1 DC A 7 -3.794 2.215 -1.503 1.00 0.00 N ATOM 203 C2 DC A 7 -2.442 2.327 -1.809 1.00 0.00 C ATOM 204 O2 DC A 7 -1.585 2.189 -0.938 1.00 0.00 O ATOM 205 N3 DC A 7 -2.057 2.599 -3.082 1.00 0.00 N ATOM 206 C4 DC A 7 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ATOM 0 H2' DT A 8 -3.085 6.841 7.270 1.00 0.00 H new ATOM 0 H2'' DT A 8 -3.845 5.703 8.365 1.00 0.00 H new ATOM 0 HO3' DT A 8 -5.984 7.096 7.556 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.334 4.170 7.532 1.00 0.00 H new ATOM 0 H3 DT A 8 1.383 6.515 6.207 1.00 0.00 H new ATOM 0 H71 DT A 8 -1.537 4.889 1.967 1.00 0.00 H new ATOM 0 H72 DT A 8 -1.301 6.652 1.892 1.00 0.00 H new ATOM 0 H73 DT A 8 0.100 5.561 1.773 1.00 0.00 H new ATOM 0 H6 DT A 8 -2.653 4.980 4.030 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 8.500 3.119 7.332 1.00 0.00 O ATOM 256 C5' DT B 9 9.192 1.886 7.452 1.00 0.00 C ATOM 257 C4' DT B 9 10.706 2.087 7.543 1.00 0.00 C ATOM 258 O4' DT B 9 10.998 2.806 8.718 1.00 0.00 O ATOM 259 C3' DT B 9 11.473 0.762 7.669 1.00 0.00 C ATOM 260 O3' DT B 9 12.132 0.413 6.473 1.00 0.00 O ATOM 261 C2' DT B 9 12.541 1.021 8.721 1.00 0.00 C ATOM 262 C1' DT B 9 12.326 2.496 9.060 1.00 0.00 C ATOM 263 N1 DT B 9 12.470 2.744 10.509 1.00 0.00 N ATOM 264 C2 DT B 9 13.451 3.648 10.925 1.00 0.00 C ATOM 265 O2 DT B 9 14.196 4.256 10.163 1.00 0.00 O ATOM 266 N3 DT B 9 13.566 3.843 12.293 1.00 0.00 N ATOM 267 C4 DT B 9 12.791 3.225 13.257 1.00 0.00 C ATOM 268 O4 DT B 9 13.020 3.503 14.432 1.00 0.00 O ATOM 269 C5 DT B 9 11.769 2.299 12.760 1.00 0.00 C ATOM 270 C7 DT B 9 10.841 1.577 13.708 1.00 0.00 C ATOM 271 C6 DT B 9 11.643 2.107 11.415 1.00 0.00 C ATOM 0 H5' DT B 9 8.961 1.255 6.594 1.00 0.00 H new ATOM 0 H5'' DT B 9 8.842 1.358 8.339 1.00 0.00 H new ATOM 0 H4' DT B 9 11.007 2.602 6.631 1.00 0.00 H new ATOM 0 H3' DT B 9 10.784 -0.046 7.915 1.00 0.00 H new ATOM 0 H2' DT B 9 12.413 0.382 9.594 1.00 0.00 H new ATOM 0 H2'' DT B 9 13.543 0.836 8.335 1.00 0.00 H new ATOM 0 HO5' DT B 9 7.537 2.949 7.275 1.00 0.00 H new ATOM 0 H1' DT B 9 13.061 3.096 8.523 1.00 0.00 H new ATOM 0 H3 DT B 9 14.281 4.496 12.614 1.00 0.00 H new ATOM 0 H71 DT B 9 9.888 1.391 13.213 1.00 0.00 H new ATOM 0 H72 DT B 9 11.288 0.628 14.002 1.00 0.00 H new ATOM 0 H73 DT B 9 10.676 2.191 14.594 1.00 0.00 H new ATOM 0 H6 DT B 9 10.877 1.440 11.049 1.00 0.00 H new ATOM 285 P DC B 10 11.445 -0.548 5.389 1.00 0.00 P ATOM 286 OP1 DC B 10 10.754 -1.648 6.097 1.00 0.00 O ATOM 287 OP2 DC B 10 12.458 -0.860 4.362 1.00 0.00 O ATOM 288 O5' DC B 10 10.323 0.386 4.727 1.00 0.00 O ATOM 289 C5' DC B 10 9.958 0.192 3.377 1.00 0.00 C ATOM 290 C4' DC B 10 8.685 0.934 2.979 1.00 0.00 C ATOM 291 O4' DC B 10 7.527 0.339 3.543 1.00 0.00 O ATOM 292 C3' DC B 10 8.640 2.421 3.316 1.00 0.00 C ATOM 293 O3' DC B 10 8.939 3.136 2.125 1.00 0.00 O ATOM 294 C2' DC B 10 7.199 2.587 3.801 1.00 0.00 C ATOM 295 C1' DC B 10 6.483 1.283 3.458 1.00 0.00 C ATOM 296 N1 DC B 10 5.351 0.917 4.344 1.00 0.00 N ATOM 297 C2 DC B 10 4.160 0.435 3.776 1.00 0.00 C ATOM 298 O2 DC B 10 4.025 0.289 2.558 1.00 0.00 O ATOM 299 N3 DC B 10 3.104 0.116 4.569 1.00 0.00 N ATOM 300 C4 DC B 10 3.223 0.275 5.877 1.00 0.00 C ATOM 301 N4 DC B 10 2.200 -0.090 6.608 1.00 0.00 N ATOM 302 C5 DC B 10 4.408 0.768 6.503 1.00 0.00 C ATOM 303 C6 DC B 10 5.451 1.080 5.700 1.00 0.00 C ATOM 0 H5' DC B 10 9.820 -0.874 3.196 1.00 0.00 H new ATOM 0 H5'' DC B 10 10.776 0.521 2.737 1.00 0.00 H new ATOM 0 H4' DC B 10 8.699 0.848 1.892 1.00 0.00 H new ATOM 0 H3' DC B 10 9.346 2.786 4.062 1.00 0.00 H new ATOM 0 H2' DC B 10 7.169 2.778 4.874 1.00 0.00 H new ATOM 0 H2'' DC B 10 6.719 3.435 3.313 1.00 0.00 H new ATOM 0 H1' DC B 10 5.992 1.351 2.487 1.00 0.00 H new ATOM 0 H41 DC B 10 2.236 0.010 7.622 1.00 0.00 H new ATOM 0 H42 DC B 10 1.367 -0.474 6.163 1.00 0.00 H new ATOM 0 H5 DC B 10 4.469 0.887 7.575 1.00 0.00 H new ATOM 0 H6 DC B 10 6.366 1.459 6.130 1.00 0.00 H new ATOM 315 P DG B 11 8.795 4.736 1.974 1.00 0.00 P ATOM 316 OP1 DG B 11 9.784 5.190 0.973 1.00 0.00 O ATOM 317 OP2 DG B 11 8.737 5.348 3.321 1.00 0.00 O ATOM 318 O5' DG B 11 7.332 4.827 1.309 1.00 0.00 O ATOM 319 C5' DG B 11 7.102 4.284 0.020 1.00 0.00 C ATOM 320 C4' DG B 11 5.614 4.200 -0.313 1.00 0.00 C ATOM 321 O4' DG B 11 4.972 3.264 0.516 1.00 0.00 O ATOM 322 C3' DG B 11 4.899 5.530 -0.133 1.00 0.00 C ATOM 323 O3' DG B 11 5.192 6.305 -1.282 1.00 0.00 O ATOM 324 C2' DG B 11 3.464 5.040 0.019 1.00 0.00 C ATOM 325 C1' DG B 11 3.604 3.604 0.531 1.00 0.00 C ATOM 326 N9 DG B 11 3.172 3.502 1.925 1.00 0.00 N ATOM 327 C8 DG B 11 3.878 3.896 3.013 1.00 0.00 C ATOM 328 N7 DG B 11 3.268 3.703 4.154 1.00 0.00 N ATOM 329 C5 DG B 11 2.033 3.156 3.768 1.00 0.00 C ATOM 330 C6 DG B 11 0.873 2.744 4.523 1.00 0.00 C ATOM 331 O6 DG B 11 0.658 2.758 5.732 1.00 0.00 O ATOM 332 N1 DG B 11 -0.153 2.283 3.716 1.00 0.00 N ATOM 333 C2 DG B 11 -0.093 2.221 2.363 1.00 0.00 C ATOM 334 N2 DG B 11 -1.186 1.849 1.755 1.00 0.00 N ATOM 335 N3 DG B 11 0.953 2.580 1.625 1.00 0.00 N ATOM 336 C4 DG B 11 1.980 3.038 2.395 1.00 0.00 C ATOM 0 H5' DG B 11 7.542 3.288 -0.037 1.00 0.00 H new ATOM 0 H5'' DG B 11 7.606 4.898 -0.726 1.00 0.00 H new ATOM 0 H4' DG B 11 5.560 3.902 -1.360 1.00 0.00 H new ATOM 0 H3' DG B 11 5.165 6.181 0.700 1.00 0.00 H new ATOM 0 H2' DG B 11 2.905 5.659 0.721 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.930 5.073 -0.931 1.00 0.00 H new ATOM 0 H1' DG B 11 2.998 2.953 -0.100 1.00 0.00 H new ATOM 0 H8 DG B 11 4.863 4.333 2.944 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.011 1.969 4.169 1.00 0.00 H new ATOM 0 H21 DG B 11 -1.206 1.782 0.737 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.020 1.625 2.297 1.00 0.00 H new ATOM 348 P DT B 12 4.370 7.603 -1.737 1.00 0.00 P ATOM 349 OP1 DT B 12 5.302 8.511 -2.453 1.00 0.00 O ATOM 350 OP2 DT B 12 3.577 8.110 -0.598 1.00 0.00 O ATOM 351 O5' DT B 12 3.388 6.948 -2.832 1.00 0.00 O ATOM 352 C5' DT B 12 3.917 6.165 -3.900 1.00 0.00 C ATOM 353 C4' DT B 12 3.136 6.303 -5.216 1.00 0.00 C ATOM 354 O4' DT B 12 1.890 5.658 -5.098 1.00 0.00 O ATOM 355 C3' DT B 12 2.876 7.781 -5.533 1.00 0.00 C ATOM 356 O3' DT B 12 2.982 8.159 -6.890 1.00 0.00 O ATOM 357 C2' DT B 12 1.449 7.969 -5.055 1.00 0.00 C ATOM 358 C1' DT B 12 0.874 6.593 -5.377 1.00 0.00 C ATOM 359 N1 DT B 12 -0.277 6.291 -4.494 1.00 0.00 N ATOM 360 C2 DT B 12 -1.571 6.403 -5.008 1.00 0.00 C ATOM 361 O2 DT B 12 -1.832 6.684 -6.174 1.00 0.00 O ATOM 362 N3 DT B 12 -2.613 6.205 -4.116 1.00 0.00 N ATOM 363 C4 DT B 12 -2.472 5.907 -2.772 1.00 0.00 C ATOM 364 O4 DT B 12 -3.503 5.813 -2.099 1.00 0.00 O ATOM 365 C5 DT B 12 -1.087 5.780 -2.303 1.00 0.00 C ATOM 366 C7 DT B 12 -0.757 5.482 -0.867 1.00 0.00 C ATOM 367 C6 DT B 12 -0.059 5.990 -3.169 1.00 0.00 C ATOM 0 H5' DT B 12 3.924 5.117 -3.601 1.00 0.00 H new ATOM 0 H5'' DT B 12 4.954 6.455 -4.072 1.00 0.00 H new ATOM 0 H4' DT B 12 3.729 5.852 -6.012 1.00 0.00 H new ATOM 0 H3' DT B 12 3.633 8.403 -5.056 1.00 0.00 H new ATOM 0 H2' DT B 12 1.394 8.205 -3.992 1.00 0.00 H new ATOM 0 H2'' DT B 12 0.934 8.770 -5.586 1.00 0.00 H new ATOM 0 H1' DT B 12 0.542 6.558 -6.415 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.562 6.286 -4.480 1.00 0.00 H new ATOM 0 H71 DT B 12 0.179 4.926 -0.817 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.654 6.417 -0.316 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.557 4.887 -0.426 1.00 0.00 H new ATOM 0 H6 DT B 12 0.956 5.919 -2.807 1.00 0.00 H new ATOM 380 P DT B 13 4.130 9.191 -7.385 1.00 0.00 P ATOM 381 OP1 DT B 13 4.829 9.775 -6.199 1.00 0.00 O ATOM 382 OP2 DT B 13 3.521 10.066 -8.407 1.00 0.00 O ATOM 383 O5' DT B 13 5.186 8.234 -8.133 1.00 0.00 O ATOM 384 C5' DT B 13 5.710 7.080 -7.504 1.00 0.00 C ATOM 385 C4' DT B 13 5.223 5.788 -8.185 1.00 0.00 C ATOM 386 O4' DT B 13 3.830 5.803 -8.432 1.00 0.00 O ATOM 387 C3' DT B 13 5.967 5.535 -9.496 1.00 0.00 C ATOM 388 O3' DT B 13 6.867 4.435 -9.433 1.00 0.00 O ATOM 389 C2' DT B 13 4.873 5.151 -10.476 1.00 0.00 C ATOM 390 C1' DT B 13 3.556 5.263 -9.706 1.00 0.00 C ATOM 391 N1 DT B 13 2.655 6.189 -10.424 1.00 0.00 N ATOM 392 C2 DT B 13 1.530 5.707 -11.096 1.00 0.00 C ATOM 393 O2 DT B 13 1.139 4.542 -11.044 1.00 0.00 O ATOM 394 N3 DT B 13 0.856 6.623 -11.892 1.00 0.00 N ATOM 395 C4 DT B 13 1.258 7.929 -12.129 1.00 0.00 C ATOM 396 O4 DT B 13 0.581 8.596 -12.907 1.00 0.00 O ATOM 397 C5 DT B 13 2.477 8.351 -11.429 1.00 0.00 C ATOM 398 C7 DT B 13 3.073 9.726 -11.647 1.00 0.00 C ATOM 399 C6 DT B 13 3.098 7.467 -10.596 1.00 0.00 C ATOM 0 H5' DT B 13 5.414 7.072 -6.455 1.00 0.00 H new ATOM 0 H5'' DT B 13 6.799 7.116 -7.528 1.00 0.00 H new ATOM 0 H4' DT B 13 5.438 4.979 -7.487 1.00 0.00 H new ATOM 0 H3' DT B 13 6.555 6.415 -9.758 1.00 0.00 H new ATOM 0 H2' DT B 13 4.876 5.813 -11.342 1.00 0.00 H new ATOM 0 H2'' DT B 13 5.022 4.138 -10.849 1.00 0.00 H new ATOM 0 H1' DT B 13 3.089 4.282 -9.616 1.00 0.00 H new ATOM 0 H3 DT B 13 -0.006 6.310 -12.339 1.00 0.00 H new ATOM 0 H71 DT B 13 2.849 10.063 -12.659 1.00 0.00 H new ATOM 0 H72 DT B 13 2.646 10.426 -10.929 1.00 0.00 H new ATOM 0 H73 DT B 13 4.153 9.680 -11.510 1.00 0.00 H new ATOM 0 H6 DT B 13 3.973 7.792 -10.053 1.00 0.00 H new ATOM 412 P DG B 14 8.165 4.383 -8.477 1.00 0.00 P ATOM 413 OP1 DG B 14 8.709 5.751 -8.364 1.00 0.00 O ATOM 414 OP2 DG B 14 9.040 3.294 -8.966 1.00 0.00 O ATOM 415 O5' DG B 14 7.560 3.937 -7.038 1.00 0.00 O ATOM 416 C5' DG B 14 7.779 4.694 -5.855 1.00 0.00 C ATOM 417 C4' DG B 14 7.680 3.842 -4.582 1.00 0.00 C ATOM 418 O4' DG B 14 6.407 3.879 -3.968 1.00 0.00 O ATOM 419 C3' DG B 14 8.190 2.408 -4.695 1.00 0.00 C ATOM 420 O3' DG B 14 9.047 2.132 -3.586 1.00 0.00 O ATOM 421 C2' DG B 14 6.864 1.678 -4.660 1.00 0.00 C ATOM 422 C1' DG B 14 5.892 2.572 -3.870 1.00 0.00 C ATOM 423 N9 DG B 14 4.599 2.664 -4.552 1.00 0.00 N ATOM 424 C8 DG B 14 4.476 3.027 -5.849 1.00 0.00 C ATOM 425 N7 DG B 14 3.259 3.028 -6.309 1.00 0.00 N ATOM 426 C5 DG B 14 2.498 2.744 -5.164 1.00 0.00 C ATOM 427 C6 DG B 14 1.074 2.710 -4.957 1.00 0.00 C ATOM 428 O6 DG B 14 0.145 2.857 -5.748 1.00 0.00 O ATOM 429 N1 DG B 14 0.728 2.509 -3.636 1.00 0.00 N ATOM 430 C2 DG B 14 1.615 2.359 -2.617 1.00 0.00 C ATOM 431 N2 DG B 14 1.066 2.187 -1.433 1.00 0.00 N ATOM 432 N3 DG B 14 2.941 2.367 -2.763 1.00 0.00 N ATOM 433 C4 DG B 14 3.319 2.568 -4.065 1.00 0.00 C ATOM 0 H5' DG B 14 7.049 5.502 -5.805 1.00 0.00 H new ATOM 0 H5'' DG B 14 8.764 5.157 -5.902 1.00 0.00 H new ATOM 0 H4' DG B 14 8.386 4.346 -3.922 1.00 0.00 H new ATOM 0 H3' DG B 14 8.796 2.146 -5.562 1.00 0.00 H new ATOM 0 H2' DG B 14 6.493 1.499 -5.669 1.00 0.00 H new ATOM 0 H2'' DG B 14 6.970 0.704 -4.182 1.00 0.00 H new ATOM 0 H1' DG B 14 5.782 2.177 -2.860 1.00 0.00 H new ATOM 0 H8 DG B 14 5.326 3.296 -6.458 1.00 0.00 H new ATOM 0 H1 DG B 14 -0.265 2.470 -3.408 1.00 0.00 H new ATOM 0 H21 DG B 14 1.656 2.066 -0.610 1.00 0.00 H new ATOM 0 H22 DG B 14 0.050 2.175 -1.339 1.00 0.00 H new ATOM 445 P DC B 15 9.558 0.653 -3.173 1.00 0.00 P ATOM 446 OP1 DC B 15 10.734 0.902 -2.311 1.00 0.00 O ATOM 447 OP2 DC B 15 9.731 -0.173 -4.394 1.00 0.00 O ATOM 448 O5' DC B 15 8.329 0.109 -2.269 1.00 0.00 O ATOM 449 C5' DC B 15 7.952 0.775 -1.068 1.00 0.00 C ATOM 450 C4' DC B 15 6.683 0.218 -0.408 1.00 0.00 C ATOM 451 O4' DC B 15 5.494 0.647 -1.024 1.00 0.00 O ATOM 452 C3' DC B 15 6.656 -1.308 -0.327 1.00 0.00 C ATOM 453 O3' DC B 15 7.386 -1.760 0.799 1.00 0.00 O ATOM 454 C2' DC B 15 5.162 -1.589 -0.237 1.00 0.00 C ATOM 455 C1' DC B 15 4.493 -0.333 -0.799 1.00 0.00 C ATOM 456 N1 DC B 15 3.894 -0.623 -2.118 1.00 0.00 N ATOM 457 C2 DC B 15 2.524 -0.811 -2.243 1.00 0.00 C ATOM 458 O2 DC B 15 1.812 -0.907 -1.244 1.00 0.00 O ATOM 459 N3 DC B 15 1.950 -0.875 -3.476 1.00 0.00 N ATOM 460 C4 DC B 15 2.739 -0.811 -4.541 1.00 0.00 C ATOM 461 N4 DC B 15 2.151 -0.816 -5.712 1.00 0.00 N ATOM 462 C5 DC B 15 4.165 -0.719 -4.458 1.00 0.00 C ATOM 463 C6 DC B 15 4.699 -0.626 -3.216 1.00 0.00 C ATOM 0 H5' DC B 15 7.800 1.832 -1.285 1.00 0.00 H new ATOM 0 H5'' DC B 15 8.776 0.711 -0.357 1.00 0.00 H new ATOM 0 H4' DC B 15 6.728 0.627 0.601 1.00 0.00 H new ATOM 0 H3' DC B 15 7.124 -1.825 -1.165 1.00 0.00 H new ATOM 0 H2' DC B 15 4.890 -2.473 -0.814 1.00 0.00 H new ATOM 0 H2'' DC B 15 4.856 -1.773 0.793 1.00 0.00 H new ATOM 0 H1' DC B 15 3.733 0.004 -0.094 1.00 0.00 H new ATOM 0 H41 DC B 15 2.710 -0.769 -6.564 1.00 0.00 H new ATOM 0 H42 DC B 15 1.134 -0.867 -5.772 1.00 0.00 H new ATOM 0 H5 DC B 15 4.785 -0.723 -5.342 1.00 0.00 H new ATOM 0 H6 DC B 15 5.770 -0.554 -3.096 1.00 0.00 H new ATOM 475 P DT B 16 7.495 -3.316 1.204 1.00 0.00 P ATOM 476 OP1 DT B 16 8.853 -3.557 1.744 1.00 0.00 O ATOM 477 OP2 DT B 16 7.002 -4.153 0.090 1.00 0.00 O ATOM 478 O5' DT B 16 6.479 -3.453 2.450 1.00 0.00 O ATOM 479 C5' DT B 16 6.600 -2.565 3.551 1.00 0.00 C ATOM 480 C4' DT B 16 5.825 -2.962 4.813 1.00 0.00 C ATOM 481 O4' DT B 16 4.466 -2.637 4.663 1.00 0.00 O ATOM 482 C3' DT B 16 5.863 -4.455 5.167 1.00 0.00 C ATOM 483 O3' DT B 16 6.951 -4.876 5.970 1.00 0.00 O ATOM 484 C2' DT B 16 4.594 -4.609 5.993 1.00 0.00 C ATOM 485 C1' DT B 16 3.724 -3.416 5.584 1.00 0.00 C ATOM 486 N1 DT B 16 2.477 -3.888 4.940 1.00 0.00 N ATOM 487 C2 DT B 16 1.391 -4.205 5.763 1.00 0.00 C ATOM 488 O2 DT B 16 1.421 -4.122 6.990 1.00 0.00 O ATOM 489 N3 DT B 16 0.245 -4.654 5.131 1.00 0.00 N ATOM 490 C4 DT B 16 0.090 -4.793 3.762 1.00 0.00 C ATOM 491 O4 DT B 16 -0.999 -5.173 3.343 1.00 0.00 O ATOM 492 C5 DT B 16 1.273 -4.460 2.963 1.00 0.00 C ATOM 493 C7 DT B 16 1.265 -4.533 1.457 1.00 0.00 C ATOM 494 C6 DT B 16 2.411 -4.042 3.574 1.00 0.00 C ATOM 0 H5' DT B 16 6.264 -1.577 3.236 1.00 0.00 H new ATOM 0 H5'' DT B 16 7.656 -2.476 3.808 1.00 0.00 H new ATOM 0 H4' DT B 16 6.323 -2.411 5.611 1.00 0.00 H new ATOM 0 H3' DT B 16 5.956 -5.049 4.258 1.00 0.00 H new ATOM 0 H2' DT B 16 4.095 -5.555 5.782 1.00 0.00 H new ATOM 0 H2'' DT B 16 4.811 -4.594 7.061 1.00 0.00 H new ATOM 0 HO3' DT B 16 6.880 -5.839 6.138 1.00 0.00 H new ATOM 0 H1' DT B 16 3.456 -2.829 6.462 1.00 0.00 H new ATOM 0 H3 DT B 16 -0.549 -4.903 5.721 1.00 0.00 H new ATOM 0 H71 DT B 16 1.959 -3.796 1.053 1.00 0.00 H new ATOM 0 H72 DT B 16 1.570 -5.530 1.139 1.00 0.00 H new ATOM 0 H73 DT B 16 0.260 -4.326 1.088 1.00 0.00 H new ATOM 0 H6 DT B 16 3.283 -3.826 2.975 1.00 0.00 H new TER 508 DT B 16