USER MOD reduce.3.24.130724 H: found=0, std=0, add=218, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 218 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 Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 19 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 19 DT O3' : rot 180:sc= 0 USER MOD 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1.00 0.09 C ATOM 78 C6 DG A 3 -3.541 -2.497 0.953 1.00 0.11 C ATOM 79 O6 DG A 3 -2.618 -1.994 1.590 1.00 0.18 O ATOM 80 N1 DG A 3 -4.382 -1.695 0.194 1.00 0.11 N ATOM 81 C2 DG A 3 -5.450 -2.150 -0.550 1.00 0.13 C ATOM 82 N2 DG A 3 -6.142 -1.228 -1.218 1.00 0.18 N ATOM 83 N3 DG A 3 -5.803 -3.436 -0.625 1.00 0.14 N ATOM 84 C4 DG A 3 -4.992 -4.232 0.108 1.00 0.11 C ATOM 0 H5' DG A 3 -7.510 -7.452 3.095 1.00 0.28 H new ATOM 0 H5'' DG A 3 -6.551 -8.911 2.942 1.00 0.28 H new ATOM 0 H4' DG A 3 -7.981 -8.538 1.010 1.00 0.23 H new ATOM 0 H3' DG A 3 -5.145 -9.047 0.805 1.00 0.19 H new ATOM 0 H2' DG A 3 -4.553 -7.772 -1.075 1.00 0.21 H new ATOM 0 H2'' DG A 3 -6.097 -8.068 -1.849 1.00 0.21 H new ATOM 0 H1' DG A 3 -6.471 -5.881 -1.302 1.00 0.19 H new ATOM 0 H8 DG A 3 -3.900 -7.003 1.332 1.00 0.12 H new ATOM 0 H1 DG A 3 -4.196 -0.692 0.186 1.00 0.11 H new ATOM 0 H21 DG A 3 -6.943 -1.504 -1.786 1.00 0.18 H new ATOM 0 H22 DG A 3 -5.871 -0.246 -1.161 1.00 0.18 H new ATOM 96 P DT A 4 -5.746 -11.202 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-6.199 1.00 0.22 H new ATOM 0 H3' DG A 5 -3.345 -6.304 -7.443 1.00 0.23 H new ATOM 0 H2' DG A 5 -2.003 -5.017 -5.912 1.00 0.24 H new ATOM 0 H2'' DG A 5 -2.621 -3.708 -6.900 1.00 0.24 H new ATOM 0 H1' DG A 5 -4.265 -3.125 -5.385 1.00 0.21 H new ATOM 0 H8 DG A 5 -2.371 -5.617 -3.088 1.00 0.25 H new ATOM 0 H1 DG A 5 -1.579 0.615 -1.768 1.00 0.24 H new ATOM 0 H21 DG A 5 -3.550 1.145 -4.585 1.00 0.27 H new ATOM 0 H22 DG A 5 -2.635 1.847 -3.247 1.00 0.27 H new ATOM 161 P DG A 6 -3.942 -4.250 -9.260 1.00 0.23 P ATOM 162 OP1 DG A 6 -4.912 -4.370 -10.371 1.00 0.26 O ATOM 163 OP2 DG A 6 -2.608 -4.881 -9.376 1.00 0.27 O ATOM 164 O5' DG A 6 -3.730 -2.684 -8.946 1.00 0.26 O ATOM 165 C5' DG A 6 -4.833 -1.775 -9.003 1.00 0.23 C ATOM 166 C4' DG A 6 -4.361 -0.323 -9.057 1.00 0.27 C ATOM 167 O4' DG A 6 -3.591 -0.026 -7.886 1.00 0.32 O ATOM 168 C3' DG A 6 -3.483 -0.005 -10.268 1.00 0.28 C ATOM 169 O3' DG A 6 -3.848 1.274 -10.801 1.00 0.31 O ATOM 170 C2' DG A 6 -2.075 0.057 -9.698 1.00 0.28 C ATOM 171 C1' DG A 6 -2.346 0.548 -8.287 1.00 0.31 C ATOM 172 N9 DG A 6 -1.330 0.144 -7.298 1.00 0.29 N ATOM 173 C8 DG A 6 -0.820 -1.104 -7.054 1.00 0.28 C ATOM 174 N7 DG A 6 0.051 -1.140 -6.085 1.00 0.30 N ATOM 175 C5 DG A 6 0.129 0.180 -5.655 1.00 0.32 C ATOM 176 C6 DG A 6 0.917 0.756 -4.623 1.00 0.36 C ATOM 177 O6 DG A 6 1.711 0.198 -3.868 1.00 0.38 O ATOM 178 N1 DG A 6 0.697 2.123 -4.517 1.00 0.39 N ATOM 179 C2 DG A 6 -0.171 2.848 -5.305 1.00 0.40 C ATOM 180 N2 DG A 6 -0.244 4.155 -5.056 1.00 0.45 N ATOM 181 N3 DG A 6 -0.914 2.308 -6.276 1.00 0.36 N ATOM 182 C4 DG A 6 -0.713 0.975 -6.394 1.00 0.32 C ATOM 0 H5' DG A 6 -5.470 -1.919 -8.130 1.00 0.23 H new ATOM 0 H5'' DG A 6 -5.441 -1.994 -9.881 1.00 0.23 H new ATOM 0 H4' DG A 6 -5.266 0.280 -9.126 1.00 0.27 H new ATOM 0 H3' DG A 6 -3.581 -0.737 -11.070 1.00 0.28 H new ATOM 0 H2' DG A 6 -1.585 -0.916 -9.707 1.00 0.28 H new ATOM 0 H2'' DG A 6 -1.436 0.741 -10.256 1.00 0.28 H new ATOM 0 H1' DG A 6 -2.342 1.638 -8.311 1.00 0.31 H new ATOM 0 H8 DG A 6 -1.113 -1.979 -7.614 1.00 0.28 H new ATOM 0 H1 DG A 6 1.218 2.630 -3.801 1.00 0.39 H new ATOM 0 H21 DG A 6 -0.869 4.745 -5.606 1.00 0.45 H new ATOM 0 H22 DG A 6 0.325 4.566 -4.316 1.00 0.45 H new ATOM 194 P DT A 7 -5.044 1.405 -11.871 1.00 0.28 P ATOM 195 OP1 DT A 7 -5.023 0.204 -12.737 1.00 0.39 O ATOM 196 OP2 DT A 7 -4.975 2.752 -12.480 1.00 0.39 O ATOM 197 O5' DT A 7 -6.363 1.337 -10.949 1.00 0.26 O ATOM 198 C5' DT A 7 -7.634 1.026 -11.530 1.00 0.42 C ATOM 199 C4' DT A 7 -8.787 1.384 -10.596 1.00 0.46 C ATOM 200 O4' DT A 7 -10.027 1.016 -11.208 1.00 0.70 O ATOM 201 C3' DT A 7 -8.727 0.683 -9.234 1.00 0.48 C ATOM 202 O3' DT A 7 -8.776 1.663 -8.191 1.00 0.37 O ATOM 203 C2' DT A 7 -9.983 -0.187 -9.186 1.00 0.75 C ATOM 204 C1' DT A 7 -10.884 0.501 -10.197 1.00 0.82 C ATOM 205 N1 DT A 7 -11.861 -0.394 -10.845 1.00 1.07 N ATOM 206 C2 DT A 7 -12.848 -0.943 -10.048 1.00 1.18 C ATOM 207 O2 DT A 7 -12.922 -0.706 -8.844 1.00 1.07 O ATOM 208 N3 DT A 7 -13.750 -1.775 -10.686 1.00 1.43 N ATOM 209 C4 DT A 7 -13.749 -2.099 -12.031 1.00 1.58 C ATOM 210 O4 DT A 7 -14.602 -2.852 -12.495 1.00 1.81 O ATOM 211 C5 DT A 7 -12.682 -1.479 -12.784 1.00 1.47 C ATOM 212 C7 DT A 7 -12.564 -1.751 -14.280 1.00 1.64 C ATOM 213 C6 DT A 7 -11.791 -0.664 -12.185 1.00 1.22 C ATOM 0 H5' DT A 7 -7.675 -0.037 -11.767 1.00 0.42 H new ATOM 0 H5'' DT A 7 -7.746 1.567 -12.470 1.00 0.42 H new ATOM 0 H4' DT A 7 -8.705 2.457 -10.425 1.00 0.46 H new ATOM 0 H3' DT A 7 -7.815 0.100 -9.103 1.00 0.48 H new ATOM 0 H2' DT A 7 -9.774 -1.220 -9.463 1.00 0.75 H new ATOM 0 H2'' DT A 7 -10.427 -0.207 -8.191 1.00 0.75 H new ATOM 0 H1' DT A 7 -11.464 1.259 -9.670 1.00 0.82 H new ATOM 0 H3 DT A 7 -14.484 -2.188 -10.111 1.00 1.43 H new ATOM 0 H71 DT A 7 -12.124 -0.885 -14.774 1.00 1.64 H new ATOM 0 H72 DT A 7 -11.930 -2.623 -14.442 1.00 1.64 H new ATOM 0 H73 DT A 7 -13.554 -1.940 -14.695 1.00 1.64 H new ATOM 0 H6 DT A 7 -11.006 -0.215 -12.775 1.00 1.22 H new ATOM 226 P DG A 8 -10.135 2.471 -7.882 1.00 0.33 P ATOM 227 OP1 DG A 8 -11.010 1.606 -7.061 1.00 0.41 O ATOM 228 OP2 DG A 8 -10.639 3.036 -9.153 1.00 0.39 O ATOM 229 O5' DG A 8 -9.621 3.686 -6.959 1.00 0.27 O ATOM 230 C5' DG A 8 -9.228 3.451 -5.604 1.00 0.26 C ATOM 231 C4' DG A 8 -8.551 4.677 -4.998 1.00 0.25 C ATOM 232 O4' DG A 8 -8.138 4.380 -3.659 1.00 0.28 O ATOM 233 C3' DG A 8 -7.312 5.135 -5.763 1.00 0.22 C ATOM 234 O3' DG A 8 -7.267 6.564 -5.793 1.00 0.27 O ATOM 235 C2' DG A 8 -6.151 4.595 -4.945 1.00 0.23 C ATOM 236 C1' DG A 8 -6.730 4.601 -3.538 1.00 0.26 C ATOM 237 N9 DG A 8 -6.190 3.541 -2.668 1.00 0.26 N ATOM 238 C8 DG A 8 -6.428 2.192 -2.717 1.00 0.28 C ATOM 239 N7 DG A 8 -5.796 1.510 -1.805 1.00 0.29 N ATOM 240 C5 DG A 8 -5.086 2.471 -1.097 1.00 0.25 C ATOM 241 C6 DG A 8 -4.215 2.321 0.015 1.00 0.26 C ATOM 242 O6 DG A 8 -3.897 1.288 0.600 1.00 0.28 O ATOM 243 N1 DG A 8 -3.703 3.543 0.429 1.00 0.27 N ATOM 244 C2 DG A 8 -3.991 4.760 -0.152 1.00 0.27 C ATOM 245 N2 DG A 8 -3.400 5.827 0.389 1.00 0.32 N ATOM 246 N3 DG A 8 -4.811 4.904 -1.200 1.00 0.25 N ATOM 247 C4 DG A 8 -5.320 3.721 -1.616 1.00 0.24 C ATOM 0 H5' DG A 8 -8.547 2.601 -5.564 1.00 0.26 H new ATOM 0 H5'' DG A 8 -10.103 3.187 -5.011 1.00 0.26 H new ATOM 0 H4' DG A 8 -9.290 5.477 -5.039 1.00 0.25 H new ATOM 0 H3' DG A 8 -7.296 4.786 -6.796 1.00 0.22 H new ATOM 0 H2' DG A 8 -5.858 3.594 -5.262 1.00 0.23 H new ATOM 0 H2'' DG A 8 -5.266 5.226 -5.025 1.00 0.23 H new ATOM 0 H1' DG A 8 -6.472 5.557 -3.082 1.00 0.26 H new ATOM 0 H8 DG A 8 -7.081 1.736 -3.446 1.00 0.28 H new ATOM 0 H1 DG A 8 -3.064 3.541 1.224 1.00 0.27 H new ATOM 0 H21 DG A 8 -3.573 6.756 0.004 1.00 0.32 H new ATOM 0 H22 DG A 8 -2.775 5.714 1.187 1.00 0.32 H new ATOM 259 P DG A 9 -6.075 7.323 -6.564 1.00 0.29 P ATOM 260 OP1 DG A 9 -6.565 8.657 -6.981 1.00 0.42 O ATOM 261 OP2 DG A 9 -5.515 6.396 -7.572 1.00 0.34 O ATOM 262 O5' DG A 9 -4.980 7.529 -5.404 1.00 0.32 O ATOM 263 C5' DG A 9 -5.168 8.527 -4.398 1.00 0.35 C ATOM 264 C4' DG A 9 -3.918 8.702 -3.542 1.00 0.32 C ATOM 265 O4' DG A 9 -3.650 7.496 -2.830 1.00 0.32 O ATOM 266 C3' DG A 9 -2.659 9.040 -4.349 1.00 0.32 C ATOM 267 O3' DG A 9 -2.142 10.301 -3.914 1.00 0.33 O ATOM 268 C2' DG A 9 -1.664 7.927 -4.016 1.00 0.34 C ATOM 269 C1' DG A 9 -2.240 7.351 -2.733 1.00 0.34 C ATOM 270 N9 DG A 9 -1.949 5.920 -2.523 1.00 0.33 N ATOM 271 C8 DG A 9 -2.409 4.841 -3.232 1.00 0.37 C ATOM 272 N7 DG A 9 -1.984 3.693 -2.786 1.00 0.37 N ATOM 273 C5 DG A 9 -1.183 4.033 -1.701 1.00 0.31 C ATOM 274 C6 DG A 9 -0.448 3.197 -0.817 1.00 0.30 C ATOM 275 O6 DG A 9 -0.364 1.970 -0.819 1.00 0.32 O ATOM 276 N1 DG A 9 0.230 3.940 0.141 1.00 0.26 N ATOM 277 C2 DG A 9 0.205 5.315 0.239 1.00 0.25 C ATOM 278 N2 DG A 9 0.923 5.850 1.226 1.00 0.25 N ATOM 279 N3 DG A 9 -0.487 6.103 -0.592 1.00 0.28 N ATOM 280 C4 DG A 9 -1.154 5.394 -1.532 1.00 0.30 C ATOM 0 H5' DG A 9 -6.009 8.250 -3.763 1.00 0.35 H new ATOM 0 H5'' DG A 9 -5.423 9.476 -4.869 1.00 0.35 H new ATOM 0 H4' DG A 9 -4.132 9.539 -2.877 1.00 0.32 H new ATOM 0 H3' DG A 9 -2.854 9.108 -5.419 1.00 0.32 H new ATOM 0 H2' DG A 9 -1.609 7.180 -4.808 1.00 0.34 H new ATOM 0 H2'' DG A 9 -0.655 8.313 -3.871 1.00 0.34 H new ATOM 0 H1' DG A 9 -1.788 7.882 -1.896 1.00 0.34 H new ATOM 0 H8 DG A 9 -3.065 4.934 -4.085 1.00 0.37 H new ATOM 0 H1 DG A 9 0.789 3.429 0.824 1.00 0.26 H new ATOM 0 H21 DG A 9 0.945 6.862 1.350 1.00 0.25 H new ATOM 0 H22 DG A 9 1.451 5.247 1.857 1.00 0.25 H new ATOM 292 P DG A 10 -0.749 10.859 -4.498 1.00 0.33 P ATOM 293 OP1 DG A 10 -0.770 12.337 -4.420 1.00 0.40 O ATOM 294 OP2 DG A 10 -0.491 10.191 -5.794 1.00 0.38 O ATOM 295 O5' DG A 10 0.321 10.313 -3.427 1.00 0.25 O ATOM 296 C5' DG A 10 0.319 10.807 -2.086 1.00 0.26 C ATOM 297 C4' DG A 10 1.461 10.210 -1.270 1.00 0.22 C ATOM 298 O4' DG A 10 1.307 8.791 -1.199 1.00 0.28 O ATOM 299 C3' DG A 10 2.852 10.488 -1.858 1.00 0.18 C ATOM 300 O3' DG A 10 3.719 11.005 -0.839 1.00 0.23 O ATOM 301 C2' DG A 10 3.351 9.118 -2.308 1.00 0.20 C ATOM 302 C1' DG A 10 2.590 8.201 -1.371 1.00 0.20 C ATOM 303 N9 DG A 10 2.391 6.830 -1.877 1.00 0.23 N ATOM 304 C8 DG A 10 1.721 6.414 -2.997 1.00 0.30 C ATOM 305 N7 DG A 10 1.710 5.120 -3.158 1.00 0.38 N ATOM 306 C5 DG A 10 2.426 4.641 -2.066 1.00 0.33 C ATOM 307 C6 DG A 10 2.747 3.305 -1.700 1.00 0.39 C ATOM 308 O6 DG A 10 2.454 2.263 -2.283 1.00 0.49 O ATOM 309 N1 DG A 10 3.484 3.263 -0.524 1.00 0.34 N ATOM 310 C2 DG A 10 3.865 4.366 0.210 1.00 0.28 C ATOM 311 N2 DG A 10 4.570 4.127 1.314 1.00 0.29 N ATOM 312 N3 DG A 10 3.565 5.621 -0.132 1.00 0.23 N ATOM 313 C4 DG A 10 2.847 5.682 -1.276 1.00 0.25 C ATOM 0 H5' DG A 10 -0.633 10.569 -1.611 1.00 0.26 H new ATOM 0 H5'' DG A 10 0.407 11.893 -2.097 1.00 0.26 H new ATOM 0 H4' DG A 10 1.405 10.684 -0.290 1.00 0.22 H new ATOM 0 H3' DG A 10 2.826 11.217 -2.668 1.00 0.18 H new ATOM 0 H2' DG A 10 3.120 8.920 -3.355 1.00 0.20 H new ATOM 0 H2'' DG A 10 4.430 9.017 -2.195 1.00 0.20 H new ATOM 0 H1' DG A 10 3.173 8.103 -0.455 1.00 0.20 H new ATOM 0 H8 DG A 10 1.245 7.097 -3.685 1.00 0.30 H new ATOM 0 H1 DG A 10 3.765 2.346 -0.177 1.00 0.34 H new ATOM 0 H21 DG A 10 4.881 4.903 1.899 1.00 0.29 H new ATOM 0 H22 DG A 10 4.799 3.168 1.575 1.00 0.29 H new ATOM 325 P DT A 11 3.257 12.234 0.096 1.00 0.47 P ATOM 326 OP1 DT A 11 2.358 13.107 -0.693 1.00 0.37 O ATOM 327 OP2 DT A 11 4.461 12.803 0.742 1.00 1.11 O ATOM 328 O5' DT A 11 2.380 11.492 1.224 1.00 0.98 O ATOM 329 C5' DT A 11 1.258 12.139 1.829 1.00 0.69 C ATOM 330 C4' DT A 11 1.687 13.310 2.710 1.00 0.37 C ATOM 331 O4' DT A 11 2.159 14.383 1.890 1.00 0.49 O ATOM 332 C3' DT A 11 0.559 13.871 3.586 1.00 0.28 C ATOM 333 O3' DT A 11 1.013 13.959 4.942 1.00 0.29 O ATOM 334 C2' DT A 11 0.311 15.271 3.038 1.00 0.41 C ATOM 335 C1' DT A 11 1.664 15.603 2.435 1.00 0.37 C ATOM 336 N1 DT A 11 1.618 16.603 1.353 1.00 0.38 N ATOM 337 C2 DT A 11 1.436 17.924 1.717 1.00 0.64 C ATOM 338 O2 DT A 11 1.312 18.267 2.890 1.00 0.87 O ATOM 339 N3 DT A 11 1.400 18.839 0.680 1.00 0.68 N ATOM 340 C4 DT A 11 1.530 18.550 -0.666 1.00 0.45 C ATOM 341 O4 DT A 11 1.482 19.445 -1.508 1.00 0.50 O ATOM 342 C5 DT A 11 1.717 17.145 -0.951 1.00 0.27 C ATOM 343 C7 DT A 11 1.874 16.686 -2.397 1.00 0.39 C ATOM 344 C6 DT A 11 1.754 16.233 0.042 1.00 0.28 C ATOM 0 H5' DT A 11 0.702 11.418 2.428 1.00 0.69 H new ATOM 0 H5'' DT A 11 0.582 12.497 1.052 1.00 0.69 H new ATOM 0 H4' DT A 11 2.463 12.915 3.365 1.00 0.37 H new ATOM 0 H3' DT A 11 -0.338 13.251 3.570 1.00 0.28 H new ATOM 0 H2' DT A 11 -0.485 15.285 2.293 1.00 0.41 H new ATOM 0 H2'' DT A 11 0.027 15.974 3.821 1.00 0.41 H new ATOM 0 H1' DT A 11 2.289 16.034 3.217 1.00 0.37 H new ATOM 0 H3 DT A 11 1.265 19.818 0.932 1.00 0.68 H new ATOM 0 H71 DT A 11 2.501 15.795 -2.430 1.00 0.39 H new ATOM 0 H72 DT A 11 0.894 16.456 -2.814 1.00 0.39 H new ATOM 0 H73 DT A 11 2.340 17.479 -2.982 1.00 0.39 H new ATOM 0 H6 DT A 11 1.894 15.190 -0.202 1.00 0.28 H new ATOM 357 P DG A 12 1.613 12.665 5.690 1.00 0.29 P ATOM 358 OP1 DG A 12 2.493 13.129 6.784 1.00 0.42 O ATOM 359 OP2 DG A 12 2.143 11.745 4.659 1.00 0.38 O ATOM 360 O5' DG A 12 0.303 11.991 6.343 1.00 0.28 O ATOM 361 C5' DG A 12 -0.323 10.859 5.732 1.00 0.21 C ATOM 362 C4' DG A 12 0.377 9.554 6.108 1.00 0.21 C ATOM 363 O4' DG A 12 -0.398 8.445 5.653 1.00 0.19 O ATOM 364 C3' DG A 12 1.779 9.399 5.503 1.00 0.22 C ATOM 365 O3' DG A 12 2.741 9.267 6.554 1.00 0.32 O ATOM 366 C2' DG A 12 1.717 8.103 4.694 1.00 0.22 C ATOM 367 C1' DG A 12 0.509 7.410 5.298 1.00 0.21 C ATOM 368 N9 DG A 12 -0.191 6.489 4.382 1.00 0.21 N ATOM 369 C8 DG A 12 -0.955 6.785 3.283 1.00 0.22 C ATOM 370 N7 DG A 12 -1.454 5.737 2.688 1.00 0.25 N ATOM 371 C5 DG A 12 -0.988 4.667 3.447 1.00 0.24 C ATOM 372 C6 DG A 12 -1.203 3.271 3.284 1.00 0.28 C ATOM 373 O6 DG A 12 -1.862 2.698 2.421 1.00 0.34 O ATOM 374 N1 DG A 12 -0.551 2.538 4.265 1.00 0.28 N ATOM 375 C2 DG A 12 0.213 3.075 5.279 1.00 0.26 C ATOM 376 N2 DG A 12 0.762 2.208 6.129 1.00 0.31 N ATOM 377 N3 DG A 12 0.416 4.387 5.435 1.00 0.24 N ATOM 378 C4 DG A 12 -0.213 5.119 4.486 1.00 0.22 C ATOM 0 H5' DG A 12 -0.313 10.978 4.649 1.00 0.21 H new ATOM 0 H5'' DG A 12 -1.368 10.812 6.038 1.00 0.21 H new ATOM 0 H4' DG A 12 0.476 9.581 7.193 1.00 0.21 H new ATOM 0 H3' DG A 12 2.066 10.254 4.892 1.00 0.22 H new ATOM 0 H2' DG A 12 1.588 8.293 3.629 1.00 0.22 H new ATOM 0 H2'' DG A 12 2.625 7.510 4.804 1.00 0.22 H new ATOM 0 H1' DG A 12 0.853 6.801 6.134 1.00 0.21 H new ATOM 0 H8 DG A 12 -1.128 7.795 2.941 1.00 0.22 H new ATOM 0 H1 DG A 12 -0.644 1.523 4.233 1.00 0.28 H new ATOM 0 H21 DG A 12 1.338 2.545 6.900 1.00 0.31 H new ATOM 0 H22 DG A 12 0.606 1.207 6.008 1.00 0.31 H new ATOM 390 P DG A 13 4.304 9.082 6.210 1.00 0.34 P ATOM 391 OP1 DG A 13 5.094 9.766 7.257 1.00 0.41 O ATOM 392 OP2 DG A 13 4.506 9.434 4.787 1.00 0.36 O ATOM 393 O5' DG A 13 4.518 7.495 6.371 1.00 0.32 O ATOM 394 C5' DG A 13 4.632 6.905 7.670 1.00 0.33 C ATOM 395 C4' DG A 13 5.133 5.465 7.590 1.00 0.31 C ATOM 396 O4' DG A 13 4.200 4.672 6.845 1.00 0.33 O ATOM 397 C3' DG A 13 6.496 5.322 6.907 1.00 0.28 C ATOM 398 O3' DG A 13 7.297 4.381 7.632 1.00 0.30 O ATOM 399 C2' DG A 13 6.156 4.762 5.535 1.00 0.25 C ATOM 400 C1' DG A 13 4.921 3.940 5.855 1.00 0.27 C ATOM 401 N9 DG A 13 4.019 3.721 4.709 1.00 0.26 N ATOM 402 C8 DG A 13 3.433 4.650 3.888 1.00 0.28 C ATOM 403 N7 DG A 13 2.672 4.133 2.963 1.00 0.25 N ATOM 404 C5 DG A 13 2.760 2.763 3.185 1.00 0.23 C ATOM 405 C6 DG A 13 2.146 1.686 2.489 1.00 0.25 C ATOM 406 O6 DG A 13 1.388 1.736 1.523 1.00 0.28 O ATOM 407 N1 DG A 13 2.500 0.460 3.035 1.00 0.26 N ATOM 408 C2 DG A 13 3.339 0.286 4.114 1.00 0.25 C ATOM 409 N2 DG A 13 3.562 -0.972 4.494 1.00 0.28 N ATOM 410 N3 DG A 13 3.917 1.296 4.770 1.00 0.24 N ATOM 411 C4 DG A 13 3.583 2.501 4.252 1.00 0.23 C ATOM 0 H5' DG A 13 3.662 6.926 8.167 1.00 0.33 H new ATOM 0 H5'' DG A 13 5.316 7.496 8.280 1.00 0.33 H new ATOM 0 H4' DG A 13 5.234 5.130 8.622 1.00 0.31 H new ATOM 0 H3' DG A 13 7.053 6.258 6.857 1.00 0.28 H new ATOM 0 H2' DG A 13 5.951 5.548 4.808 1.00 0.25 H new ATOM 0 H2'' DG A 13 6.962 4.153 5.127 1.00 0.25 H new ATOM 0 H1' DG A 13 5.252 2.952 6.176 1.00 0.27 H new ATOM 0 H8 DG A 13 3.587 5.713 3.997 1.00 0.28 H new ATOM 0 H1 DG A 13 2.109 -0.377 2.604 1.00 0.26 H new ATOM 0 H21 DG A 13 4.174 -1.164 5.287 1.00 0.28 H new ATOM 0 H22 DG A 13 3.120 -1.742 3.992 1.00 0.28 H new ATOM 423 P DG A 14 8.905 4.422 7.529 1.00 0.28 P ATOM 424 OP1 DG A 14 9.458 3.484 8.532 1.00 0.34 O ATOM 425 OP2 DG A 14 9.334 5.838 7.530 1.00 0.28 O ATOM 426 O5' DG A 14 9.186 3.813 6.065 1.00 0.33 O ATOM 427 C5' DG A 14 9.796 2.528 5.912 1.00 0.26 C ATOM 428 C4' DG A 14 8.927 1.413 6.490 1.00 0.26 C ATOM 429 O4' DG A 14 7.635 1.443 5.876 1.00 0.30 O ATOM 430 C3' DG A 14 9.489 0.015 6.258 1.00 0.24 C ATOM 431 O3' DG A 14 9.088 -0.845 7.329 1.00 0.28 O ATOM 432 C2' DG A 14 8.811 -0.416 4.970 1.00 0.23 C ATOM 433 C1' DG A 14 7.443 0.233 5.131 1.00 0.24 C ATOM 434 N9 DG A 14 6.786 0.597 3.862 1.00 0.23 N ATOM 435 C8 DG A 14 6.569 1.846 3.346 1.00 0.27 C ATOM 436 N7 DG A 14 5.928 1.846 2.214 1.00 0.28 N ATOM 437 C5 DG A 14 5.704 0.499 1.954 1.00 0.24 C ATOM 438 C6 DG A 14 5.046 -0.115 0.855 1.00 0.24 C ATOM 439 O6 DG A 14 4.517 0.424 -0.116 1.00 0.27 O ATOM 440 N1 DG A 14 5.038 -1.499 0.977 1.00 0.24 N ATOM 441 C2 DG A 14 5.593 -2.204 2.025 1.00 0.27 C ATOM 442 N2 DG A 14 5.490 -3.531 1.965 1.00 0.34 N ATOM 443 N3 DG A 14 6.210 -1.625 3.062 1.00 0.26 N ATOM 444 C4 DG A 14 6.228 -0.276 2.957 1.00 0.23 C ATOM 0 H5' DG A 14 10.767 2.526 6.408 1.00 0.26 H new ATOM 0 H5'' DG A 14 9.977 2.336 4.855 1.00 0.26 H new ATOM 0 H4' DG A 14 8.888 1.599 7.563 1.00 0.26 H new ATOM 0 H3' DG A 14 10.577 -0.017 6.206 1.00 0.24 H new ATOM 0 H2' DG A 14 9.337 -0.055 4.086 1.00 0.23 H new ATOM 0 H2'' DG A 14 8.745 -1.500 4.881 1.00 0.23 H new ATOM 0 H1' DG A 14 6.799 -0.497 5.622 1.00 0.24 H new ATOM 0 H8 DG A 14 6.900 2.750 3.835 1.00 0.27 H new ATOM 0 H1 DG A 14 4.587 -2.035 0.235 1.00 0.24 H new ATOM 0 H21 DG A 14 5.881 -4.107 2.710 1.00 0.34 H new ATOM 0 H22 DG A 14 5.020 -3.971 1.174 1.00 0.34 H new ATOM 456 P DT A 15 9.845 -2.242 7.585 1.00 0.28 P ATOM 457 OP1 DT A 15 10.887 -2.401 6.546 1.00 0.33 O ATOM 458 OP2 DT A 15 8.822 -3.296 7.772 1.00 0.49 O ATOM 459 O5' DT A 15 10.575 -1.991 8.998 1.00 0.25 O ATOM 460 C5' DT A 15 9.814 -1.950 10.209 1.00 0.24 C ATOM 461 C4' DT A 15 9.126 -3.284 10.483 1.00 0.27 C ATOM 462 O4' DT A 15 10.112 -4.314 10.615 1.00 0.38 O ATOM 463 C3' DT A 15 8.283 -3.299 11.763 1.00 0.22 C ATOM 464 O3' DT A 15 6.996 -3.862 11.474 1.00 0.20 O ATOM 465 C2' DT A 15 9.055 -4.218 12.704 1.00 0.27 C ATOM 466 C1' DT A 15 9.745 -5.141 11.714 1.00 0.36 C ATOM 467 N1 DT A 15 10.969 -5.801 12.235 1.00 0.48 N ATOM 468 C2 DT A 15 12.111 -5.755 11.448 1.00 0.60 C ATOM 469 O2 DT A 15 12.137 -5.201 10.352 1.00 0.62 O ATOM 470 N3 DT A 15 13.231 -6.382 11.965 1.00 0.74 N ATOM 471 C4 DT A 15 13.311 -7.040 13.179 1.00 0.77 C ATOM 472 O4 DT A 15 14.364 -7.564 13.539 1.00 0.92 O ATOM 473 C5 DT A 15 12.079 -7.039 13.931 1.00 0.66 C ATOM 474 C7 DT A 15 12.029 -7.734 15.287 1.00 0.74 C ATOM 475 C6 DT A 15 10.971 -6.437 13.453 1.00 0.53 C ATOM 0 H5' DT A 15 9.066 -1.160 10.143 1.00 0.24 H new ATOM 0 H5'' DT A 15 10.469 -1.699 11.043 1.00 0.24 H new ATOM 0 H4' DT A 15 8.459 -3.448 9.637 1.00 0.27 H new ATOM 0 H3' DT A 15 8.123 -2.307 12.185 1.00 0.22 H new ATOM 0 H2' DT A 15 9.767 -3.671 13.322 1.00 0.27 H new ATOM 0 H2'' DT A 15 8.396 -4.760 13.382 1.00 0.27 H new ATOM 0 H1' DT A 15 9.061 -5.952 11.463 1.00 0.36 H new ATOM 0 H3 DT A 15 14.078 -6.357 11.397 1.00 0.74 H new ATOM 0 H71 DT A 15 11.302 -7.233 15.926 1.00 0.74 H new ATOM 0 H72 DT A 15 11.736 -8.775 15.152 1.00 0.74 H new ATOM 0 H73 DT A 15 13.013 -7.692 15.754 1.00 0.74 H new ATOM 0 H6 DT A 15 10.065 -6.455 14.041 1.00 0.53 H new ATOM 488 P DG A 16 5.745 -3.617 12.461 1.00 0.22 P ATOM 489 OP1 DG A 16 5.490 -2.162 12.535 1.00 0.32 O ATOM 490 OP2 DG A 16 5.971 -4.392 13.703 1.00 0.25 O ATOM 491 O5' DG A 16 4.527 -4.302 11.660 1.00 0.25 O ATOM 492 C5' DG A 16 3.563 -3.500 10.969 1.00 0.24 C ATOM 493 C4' DG A 16 2.918 -4.270 9.820 1.00 0.24 C ATOM 494 O4' DG A 16 1.905 -3.477 9.217 1.00 0.22 O ATOM 495 C3' DG A 16 3.898 -4.653 8.709 1.00 0.28 C ATOM 496 O3' DG A 16 4.127 -6.065 8.743 1.00 0.37 O ATOM 497 C2' DG A 16 3.193 -4.267 7.401 1.00 0.28 C ATOM 498 C1' DG A 16 1.788 -3.892 7.862 1.00 0.22 C ATOM 499 N9 DG A 16 1.181 -2.779 7.105 1.00 0.18 N ATOM 500 C8 DG A 16 1.387 -1.432 7.253 1.00 0.17 C ATOM 501 N7 DG A 16 0.697 -0.696 6.429 1.00 0.18 N ATOM 502 C5 DG A 16 -0.023 -1.619 5.677 1.00 0.14 C ATOM 503 C6 DG A 16 -0.949 -1.405 4.621 1.00 0.15 C ATOM 504 O6 DG A 16 -1.319 -0.338 4.135 1.00 0.21 O ATOM 505 N1 DG A 16 -1.449 -2.604 4.132 1.00 0.14 N ATOM 506 C2 DG A 16 -1.105 -3.854 4.598 1.00 0.18 C ATOM 507 N2 DG A 16 -1.694 -4.890 3.998 1.00 0.22 N ATOM 508 N3 DG A 16 -0.233 -4.059 5.593 1.00 0.20 N ATOM 509 C4 DG A 16 0.266 -2.898 6.083 1.00 0.16 C ATOM 0 H5' DG A 16 4.045 -2.602 10.582 1.00 0.24 H new ATOM 0 H5'' DG A 16 2.793 -3.172 11.667 1.00 0.24 H new ATOM 0 H4' DG A 16 2.525 -5.183 10.267 1.00 0.24 H new ATOM 0 H3' DG A 16 4.862 -4.155 8.814 1.00 0.28 H new ATOM 0 H2' DG A 16 3.691 -3.433 6.906 1.00 0.28 H new ATOM 0 H2'' DG A 16 3.177 -5.095 6.692 1.00 0.28 H new ATOM 0 H1' DG A 16 1.146 -4.760 7.712 1.00 0.22 H new ATOM 0 H8 DG A 16 2.062 -1.018 7.988 1.00 0.17 H new ATOM 0 H1 DG A 16 -2.123 -2.556 3.368 1.00 0.14 H new ATOM 0 H21 DG A 16 -1.481 -5.841 4.298 1.00 0.22 H new ATOM 0 H22 DG A 16 -2.357 -4.730 3.240 1.00 0.22 H new ATOM 521 P DG A 17 5.385 -6.704 7.966 1.00 0.48 P ATOM 522 OP1 DG A 17 5.847 -7.889 8.723 1.00 0.65 O ATOM 523 OP2 DG A 17 6.336 -5.615 7.650 1.00 0.57 O ATOM 524 O5' DG A 17 4.728 -7.213 6.589 1.00 0.33 O ATOM 525 C5' DG A 17 3.936 -8.403 6.558 1.00 0.32 C ATOM 526 C4' DG A 17 3.477 -8.730 5.141 1.00 0.30 C ATOM 527 O4' DG A 17 2.670 -7.656 4.642 1.00 0.31 O ATOM 528 C3' DG A 17 4.628 -8.924 4.153 1.00 0.29 C ATOM 529 O3' DG A 17 4.314 -9.997 3.255 1.00 0.28 O ATOM 530 C2' DG A 17 4.669 -7.610 3.391 1.00 0.29 C ATOM 531 C1' DG A 17 3.198 -7.240 3.382 1.00 0.29 C ATOM 532 N9 DG A 17 2.934 -5.797 3.231 1.00 0.27 N ATOM 533 C8 DG A 17 3.489 -4.744 3.910 1.00 0.26 C ATOM 534 N7 DG A 17 3.044 -3.578 3.532 1.00 0.26 N ATOM 535 C5 DG A 17 2.128 -3.879 2.529 1.00 0.25 C ATOM 536 C6 DG A 17 1.322 -3.013 1.740 1.00 0.27 C ATOM 537 O6 DG A 17 1.261 -1.786 1.775 1.00 0.30 O ATOM 538 N1 DG A 17 0.536 -3.725 0.844 1.00 0.28 N ATOM 539 C2 DG A 17 0.526 -5.100 0.720 1.00 0.30 C ATOM 540 N2 DG A 17 -0.295 -5.608 -0.196 1.00 0.34 N ATOM 541 N3 DG A 17 1.283 -5.913 1.461 1.00 0.29 N ATOM 542 C4 DG A 17 2.055 -5.236 2.340 1.00 0.26 C ATOM 0 H5' DG A 17 3.067 -8.280 7.204 1.00 0.32 H new ATOM 0 H5'' DG A 17 4.514 -9.237 6.956 1.00 0.32 H new ATOM 0 H4' DG A 17 2.927 -9.668 5.214 1.00 0.30 H new ATOM 0 H3' DG A 17 5.574 -9.168 4.636 1.00 0.29 H new ATOM 0 H2' DG A 17 5.281 -6.860 3.893 1.00 0.29 H new ATOM 0 H2'' DG A 17 5.071 -7.728 2.385 1.00 0.29 H new ATOM 0 H1' DG A 17 2.737 -7.725 2.522 1.00 0.29 H new ATOM 0 H8 DG A 17 4.228 -4.869 4.688 1.00 0.26 H new ATOM 0 H1 DG A 17 -0.081 -3.192 0.231 1.00 0.28 H new ATOM 0 H21 DG A 17 -0.345 -6.618 -0.332 1.00 0.34 H new ATOM 0 H22 DG A 17 -0.874 -4.988 -0.762 1.00 0.34 H new ATOM 554 P DG A 18 5.326 -10.390 2.065 1.00 0.31 P ATOM 555 OP1 DG A 18 5.869 -11.740 2.342 1.00 0.34 O ATOM 556 OP2 DG A 18 6.250 -9.255 1.848 1.00 0.33 O ATOM 557 O5' DG A 18 4.347 -10.494 0.789 1.00 0.33 O ATOM 558 C5' DG A 18 3.604 -9.353 0.354 1.00 0.33 C ATOM 559 C4' DG A 18 3.196 -9.466 -1.112 1.00 0.35 C ATOM 560 O4' DG A 18 2.533 -8.267 -1.515 1.00 0.37 O ATOM 561 C3' DG A 18 4.367 -9.652 -2.063 1.00 0.34 C ATOM 562 O3' DG A 18 3.931 -10.347 -3.237 1.00 0.41 O ATOM 563 C2' DG A 18 4.755 -8.229 -2.417 1.00 0.29 C ATOM 564 C1' DG A 18 3.413 -7.500 -2.353 1.00 0.33 C ATOM 565 N9 DG A 18 3.505 -6.143 -1.781 1.00 0.31 N ATOM 566 C8 DG A 18 4.194 -5.727 -0.672 1.00 0.31 C ATOM 567 N7 DG A 18 4.095 -4.449 -0.436 1.00 0.32 N ATOM 568 C5 DG A 18 3.282 -3.981 -1.463 1.00 0.35 C ATOM 569 C6 DG A 18 2.826 -2.662 -1.730 1.00 0.40 C ATOM 570 O6 DG A 18 3.059 -1.633 -1.099 1.00 0.43 O ATOM 571 N1 DG A 18 2.025 -2.620 -2.863 1.00 0.43 N ATOM 572 C2 DG A 18 1.701 -3.711 -3.644 1.00 0.42 C ATOM 573 N2 DG A 18 0.917 -3.473 -4.694 1.00 0.46 N ATOM 574 N3 DG A 18 2.130 -4.952 -3.394 1.00 0.38 N ATOM 575 C4 DG A 18 2.914 -5.012 -2.291 1.00 0.34 C ATOM 0 H5' DG A 18 4.203 -8.454 0.496 1.00 0.33 H new ATOM 0 H5'' DG A 18 2.713 -9.243 0.972 1.00 0.33 H new ATOM 0 H4' DG A 18 2.557 -10.347 -1.171 1.00 0.35 H new ATOM 0 H3' DG A 18 5.187 -10.228 -1.635 1.00 0.34 H new ATOM 0 H2' DG A 18 5.476 -7.817 -1.711 1.00 0.29 H new ATOM 0 H2'' DG A 18 5.206 -8.165 -3.407 1.00 0.29 H new ATOM 0 H1' DG A 18 3.052 -7.400 -3.376 1.00 0.33 H new ATOM 0 H8 DG A 18 4.768 -6.398 -0.049 1.00 0.31 H new ATOM 0 H1 DG A 18 1.647 -1.714 -3.139 1.00 0.43 H new ATOM 0 H21 DG A 18 0.642 -4.239 -5.309 1.00 0.46 H new ATOM 0 H22 DG A 18 0.591 -2.525 -4.883 1.00 0.46 H new ATOM 587 P DT A 19 4.995 -10.828 -4.346 1.00 0.42 P ATOM 588 OP1 DT A 19 4.368 -11.899 -5.154 1.00 0.52 O ATOM 589 OP2 DT A 19 6.289 -11.075 -3.672 1.00 0.42 O ATOM 590 O5' DT A 19 5.153 -9.524 -5.278 1.00 0.37 O ATOM 591 C5' DT A 19 4.028 -9.005 -5.990 1.00 0.40 C ATOM 592 C4' DT A 19 4.454 -8.219 -7.228 1.00 0.48 C ATOM 593 O4' DT A 19 5.132 -7.020 -6.830 1.00 0.41 O ATOM 594 C3' DT A 19 5.401 -8.988 -8.156 1.00 0.53 C ATOM 595 O3' DT A 19 5.015 -8.841 -9.527 1.00 0.70 O ATOM 596 C2' DT A 19 6.753 -8.340 -7.894 1.00 0.41 C ATOM 597 C1' DT A 19 6.331 -6.917 -7.593 1.00 0.40 C ATOM 598 N1 DT A 19 7.306 -6.137 -6.807 1.00 0.32 N ATOM 599 C2 DT A 19 7.881 -5.038 -7.418 1.00 0.45 C ATOM 600 O2 DT A 19 7.608 -4.715 -8.572 1.00 0.64 O ATOM 601 N3 DT A 19 8.782 -4.320 -6.654 1.00 0.44 N ATOM 602 C4 DT A 19 9.154 -4.604 -5.351 1.00 0.40 C ATOM 603 O4 DT A 19 9.967 -3.896 -4.763 1.00 0.50 O ATOM 604 C5 DT A 19 8.503 -5.770 -4.795 1.00 0.37 C ATOM 605 C7 DT A 19 8.818 -6.194 -3.366 1.00 0.56 C ATOM 606 C6 DT A 19 7.620 -6.486 -5.521 1.00 0.27 C ATOM 0 H5' DT A 19 3.447 -8.359 -5.331 1.00 0.40 H new ATOM 0 H5'' DT A 19 3.376 -9.826 -6.287 1.00 0.40 H new ATOM 0 H4' DT A 19 3.534 -8.015 -7.775 1.00 0.48 H new ATOM 0 H3' DT A 19 5.400 -10.062 -7.968 1.00 0.53 H new ATOM 0 H2' DT A 19 7.277 -8.801 -7.057 1.00 0.41 H new ATOM 0 H2'' DT A 19 7.415 -8.401 -8.758 1.00 0.41 H new ATOM 0 HO3' DT A 19 5.637 -9.340 -10.097 1.00 0.70 H new ATOM 0 H1' DT A 19 6.224 -6.390 -8.541 1.00 0.40 H new ATOM 0 H3 DT A 19 9.213 -3.505 -7.091 1.00 0.44 H new ATOM 0 H71 DT A 19 7.946 -6.683 -2.931 1.00 0.56 H new ATOM 0 H72 DT A 19 9.659 -6.887 -3.369 1.00 0.56 H new ATOM 0 H73 DT A 19 9.074 -5.315 -2.774 1.00 0.56 H new ATOM 0 H6 DT A 19 7.151 -7.352 -5.079 1.00 0.27 H new TER 620 DT A 19