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= -10.9! (180deg=-10.9!) 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 ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -10.022 3.281 2.514 1.00 0.62 O ATOM 2 C5' DT A 1 -9.353 2.270 1.758 1.00 0.58 C ATOM 3 C4' DT A 1 -8.199 1.656 2.550 1.00 0.41 C ATOM 4 O4' DT A 1 -7.253 2.672 2.884 1.00 0.33 O ATOM 5 C3' DT A 1 -8.631 0.991 3.864 1.00 0.37 C ATOM 6 O3' DT A 1 -8.210 -0.378 3.865 1.00 0.39 O ATOM 7 C2' DT A 1 -7.884 1.758 4.953 1.00 0.25 C ATOM 8 C1' DT A 1 -6.734 2.373 4.173 1.00 0.20 C ATOM 9 N1 DT A 1 -6.197 3.621 4.750 1.00 0.21 N ATOM 10 C2 DT A 1 -4.868 3.626 5.126 1.00 0.43 C ATOM 11 O2 DT A 1 -4.147 2.641 4.995 1.00 0.55 O ATOM 12 N3 DT A 1 -4.394 4.811 5.661 1.00 0.53 N 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0.18 O ATOM 165 C5' DG A 6 -4.489 -1.749 -8.074 1.00 0.16 C ATOM 166 C4' DG A 6 -4.597 -0.252 -8.342 1.00 0.15 C ATOM 167 O4' DG A 6 -3.925 0.469 -7.310 1.00 0.19 O ATOM 168 C3' DG A 6 -3.956 0.180 -9.649 1.00 0.13 C ATOM 169 O3' DG A 6 -4.560 1.397 -10.097 1.00 0.19 O ATOM 170 C2' DG A 6 -2.512 0.429 -9.244 1.00 0.15 C ATOM 171 C1' DG A 6 -2.673 0.955 -7.818 1.00 0.17 C ATOM 172 N9 DG A 6 -1.619 0.513 -6.882 1.00 0.16 N ATOM 173 C8 DG A 6 -1.218 -0.764 -6.575 1.00 0.21 C ATOM 174 N7 DG A 6 -0.279 -0.821 -5.674 1.00 0.24 N ATOM 175 C5 DG A 6 -0.035 0.511 -5.357 1.00 0.20 C ATOM 176 C6 DG A 6 0.888 1.071 -4.434 1.00 0.24 C ATOM 177 O6 DG A 6 1.682 0.488 -3.699 1.00 0.32 O ATOM 178 N1 DG A 6 0.816 2.458 -4.420 1.00 0.22 N ATOM 179 C2 DG A 6 -0.037 3.214 -5.198 1.00 0.17 C ATOM 180 N2 DG A 6 0.040 4.536 -5.048 1.00 0.19 N ATOM 181 N3 DG A 6 -0.906 2.687 -6.067 1.00 0.15 N ATOM 182 C4 DG A 6 -0.849 1.335 -6.093 1.00 0.16 C ATOM 0 H5' DG A 6 -3.447 -2.057 -8.154 1.00 0.16 H new ATOM 0 H5'' DG A 6 -4.806 -1.958 -7.052 1.00 0.16 H new ATOM 0 H4' DG A 6 -5.665 -0.039 -8.384 1.00 0.15 H new ATOM 0 H3' DG A 6 -4.061 -0.544 -10.457 1.00 0.13 H new ATOM 0 H2' DG A 6 -1.915 -0.482 -9.279 1.00 0.15 H new ATOM 0 H2'' DG A 6 -2.024 1.155 -9.895 1.00 0.15 H new ATOM 0 H1' DG A 6 -2.614 2.042 -7.878 1.00 0.17 H new ATOM 0 H8 DG A 6 -1.643 -1.642 -7.039 1.00 0.21 H new ATOM 0 H1 DG A 6 1.441 2.956 -3.786 1.00 0.22 H new ATOM 0 H21 DG A 6 -0.565 5.148 -5.596 1.00 0.19 H new ATOM 0 H22 DG A 6 0.704 4.936 -4.385 1.00 0.19 H new ATOM 194 P DT A 7 -4.795 1.669 -11.666 1.00 0.25 P ATOM 195 OP1 DT A 7 -3.504 1.486 -12.367 1.00 0.29 O ATOM 196 OP2 DT A 7 -5.540 2.939 -11.811 1.00 0.35 O ATOM 197 O5' DT A 7 -5.772 0.460 -12.089 1.00 0.28 O ATOM 198 C5' DT A 7 -6.863 0.079 -11.246 1.00 0.24 C ATOM 199 C4' DT A 7 -7.739 1.273 -10.880 1.00 0.30 C ATOM 200 O4' DT A 7 -8.406 1.753 -12.049 1.00 0.39 O ATOM 201 C3' DT A 7 -8.819 0.956 -9.838 1.00 0.35 C ATOM 202 O3' DT A 7 -8.684 1.849 -8.728 1.00 0.27 O ATOM 203 C2' DT A 7 -10.142 1.219 -10.554 1.00 0.52 C ATOM 204 C1' DT A 7 -9.715 2.157 -11.669 1.00 0.53 C ATOM 205 N1 DT A 7 -10.572 2.104 -12.870 1.00 0.59 N ATOM 206 C2 DT A 7 -11.620 3.001 -12.942 1.00 0.87 C ATOM 207 O2 DT A 7 -11.845 3.818 -12.052 1.00 1.04 O ATOM 208 N3 DT A 7 -12.405 2.925 -14.079 1.00 0.93 N ATOM 209 C4 DT A 7 -12.233 2.044 -15.131 1.00 0.74 C ATOM 210 O4 DT A 7 -12.993 2.064 -16.096 1.00 0.83 O ATOM 211 C5 DT A 7 -11.112 1.145 -14.967 1.00 0.47 C ATOM 212 C7 DT A 7 -10.807 0.119 -16.053 1.00 0.31 C ATOM 213 C6 DT A 7 -10.333 1.199 -13.868 1.00 0.41 C ATOM 0 H5' DT A 7 -6.476 -0.381 -10.336 1.00 0.24 H new ATOM 0 H5'' DT A 7 -7.467 -0.674 -11.752 1.00 0.24 H new ATOM 0 H4' DT A 7 -7.063 2.013 -10.451 1.00 0.30 H new ATOM 0 H3' DT A 7 -8.750 -0.064 -9.459 1.00 0.35 H new ATOM 0 H2' DT A 7 -10.587 0.302 -10.940 1.00 0.52 H new ATOM 0 H2'' DT A 7 -10.879 1.677 -9.895 1.00 0.52 H new ATOM 0 H1' DT A 7 -9.779 3.178 -11.292 1.00 0.53 H new ATOM 0 H3 DT A 7 -13.184 3.580 -14.148 1.00 0.93 H new ATOM 0 H71 DT A 7 -9.736 -0.083 -16.072 1.00 0.31 H new ATOM 0 H72 DT A 7 -11.347 -0.804 -15.843 1.00 0.31 H new ATOM 0 H73 DT A 7 -11.120 0.510 -17.021 1.00 0.31 H new ATOM 0 H6 DT A 7 -9.503 0.514 -13.773 1.00 0.41 H new ATOM 226 P DG A 8 -9.597 1.667 -7.415 1.00 0.29 P ATOM 227 OP1 DG A 8 -9.431 0.281 -6.921 1.00 0.39 O ATOM 228 OP2 DG A 8 -10.951 2.184 -7.716 1.00 0.27 O ATOM 229 O5' DG A 8 -8.900 2.664 -6.360 1.00 0.27 O ATOM 230 C5' DG A 8 -9.388 3.999 -6.189 1.00 0.19 C ATOM 231 C4' DG A 8 -8.406 4.857 -5.397 1.00 0.18 C ATOM 232 O4' DG A 8 -8.125 4.229 -4.144 1.00 0.22 O ATOM 233 C3' DG A 8 -7.065 5.079 -6.106 1.00 0.16 C ATOM 234 O3' DG A 8 -6.811 6.483 -6.218 1.00 0.17 O ATOM 235 C2' DG A 8 -6.026 4.440 -5.188 1.00 0.16 C ATOM 236 C1' DG A 8 -6.747 4.430 -3.852 1.00 0.16 C ATOM 237 N9 DG A 8 -6.314 3.354 -2.941 1.00 0.19 N ATOM 238 C8 DG A 8 -6.608 2.017 -2.995 1.00 0.23 C ATOM 239 N7 DG A 8 -6.059 1.315 -2.043 1.00 0.25 N ATOM 240 C5 DG A 8 -5.349 2.255 -1.303 1.00 0.22 C ATOM 241 C6 DG A 8 -4.548 2.082 -0.141 1.00 0.23 C ATOM 242 O6 DG A 8 -4.305 1.044 0.470 1.00 0.25 O ATOM 243 N1 DG A 8 -4.009 3.287 0.290 1.00 0.20 N ATOM 244 C2 DG A 8 -4.214 4.508 -0.318 1.00 0.17 C ATOM 245 N2 DG A 8 -3.612 5.556 0.244 1.00 0.17 N ATOM 246 N3 DG A 8 -4.967 4.672 -1.410 1.00 0.16 N ATOM 247 C4 DG A 8 -5.500 3.506 -1.845 1.00 0.18 C ATOM 0 H5' DG A 8 -10.348 3.973 -5.673 1.00 0.19 H new ATOM 0 H5'' DG A 8 -9.563 4.451 -7.165 1.00 0.19 H new ATOM 0 H4' DG A 8 -8.890 5.826 -5.278 1.00 0.18 H new ATOM 0 H3' DG A 8 -7.048 4.654 -7.109 1.00 0.16 H new ATOM 0 H2' DG A 8 -5.757 3.435 -5.514 1.00 0.16 H new ATOM 0 H2'' DG A 8 -5.104 5.020 -5.150 1.00 0.16 H new ATOM 0 H1' DG A 8 -6.530 5.369 -3.344 1.00 0.16 H new ATOM 0 H8 DG A 8 -7.238 1.583 -3.758 1.00 0.23 H new ATOM 0 H1 DG A 8 -3.416 3.268 1.120 1.00 0.20 H new ATOM 0 H21 DG A 8 -3.725 6.486 -0.159 1.00 0.17 H new ATOM 0 H22 DG A 8 -3.038 5.428 1.077 1.00 0.17 H new ATOM 259 P DG A 9 -5.465 7.015 -6.924 1.00 0.21 P ATOM 260 OP1 DG A 9 -5.752 8.329 -7.541 1.00 0.30 O ATOM 261 OP2 DG A 9 -4.914 5.918 -7.751 1.00 0.24 O ATOM 262 O5' DG A 9 -4.477 7.249 -5.674 1.00 0.23 O ATOM 263 C5' DG A 9 -4.656 8.372 -4.808 1.00 0.23 C ATOM 264 C4' DG A 9 -3.418 8.626 -3.953 1.00 0.21 C ATOM 265 O4' DG A 9 -3.170 7.491 -3.116 1.00 0.19 O ATOM 266 C3' DG A 9 -2.145 8.875 -4.769 1.00 0.21 C ATOM 267 O3' DG A 9 -1.488 10.050 -4.281 1.00 0.19 O ATOM 268 C2' DG A 9 -1.277 7.649 -4.507 1.00 0.22 C ATOM 269 C1' DG A 9 -1.773 7.210 -3.142 1.00 0.20 C ATOM 270 N9 DG A 9 -1.598 5.772 -2.865 1.00 0.20 N ATOM 271 C8 DG A 9 -2.175 4.702 -3.499 1.00 0.25 C ATOM 272 N7 DG A 9 -1.829 3.546 -3.007 1.00 0.27 N ATOM 273 C5 DG A 9 -0.960 3.870 -1.971 1.00 0.23 C ATOM 274 C6 DG A 9 -0.263 3.019 -1.070 1.00 0.24 C ATOM 275 O6 DG A 9 -0.281 1.791 -1.012 1.00 0.28 O ATOM 276 N1 DG A 9 0.510 3.749 -0.177 1.00 0.21 N ATOM 277 C2 DG A 9 0.604 5.124 -0.151 1.00 0.19 C ATOM 278 N2 DG A 9 1.402 5.645 0.783 1.00 0.22 N ATOM 279 N3 DG A 9 -0.052 5.926 -0.996 1.00 0.17 N ATOM 280 C4 DG A 9 -0.811 5.231 -1.875 1.00 0.19 C ATOM 0 H5' DG A 9 -5.516 8.200 -4.161 1.00 0.23 H new ATOM 0 H5'' DG A 9 -4.876 9.259 -5.402 1.00 0.23 H new ATOM 0 H4' DG A 9 -3.636 9.526 -3.379 1.00 0.21 H new ATOM 0 H3' DG A 9 -2.345 9.023 -5.830 1.00 0.21 H new ATOM 0 H2' DG A 9 -1.420 6.877 -5.263 1.00 0.22 H new ATOM 0 H2'' DG A 9 -0.215 7.893 -4.498 1.00 0.22 H new ATOM 0 H1' DG A 9 -1.192 7.741 -2.388 1.00 0.20 H new ATOM 0 H8 DG A 9 -2.855 4.808 -4.331 1.00 0.25 H new ATOM 0 H1 DG A 9 1.050 3.227 0.513 1.00 0.21 H new ATOM 0 H21 DG A 9 1.513 6.657 0.853 1.00 0.22 H new ATOM 0 H22 DG A 9 1.901 5.032 1.427 1.00 0.22 H new ATOM 292 P DG A 10 -0.103 10.547 -4.937 1.00 0.19 P ATOM 293 OP1 DG A 10 -0.153 12.019 -5.067 1.00 0.26 O ATOM 294 OP2 DG A 10 0.170 9.710 -6.126 1.00 0.23 O ATOM 295 O5' DG A 10 0.976 10.177 -3.801 1.00 0.19 O ATOM 296 C5' DG A 10 1.038 10.927 -2.585 1.00 0.24 C ATOM 297 C4' DG A 10 2.223 10.503 -1.723 1.00 0.20 C ATOM 298 O4' DG A 10 2.094 9.119 -1.381 1.00 0.23 O ATOM 299 C3' DG A 10 3.579 10.678 -2.411 1.00 0.17 C ATOM 300 O3' DG A 10 4.515 11.242 -1.485 1.00 0.22 O ATOM 301 C2' DG A 10 3.999 9.262 -2.775 1.00 0.17 C ATOM 302 C1' DG A 10 3.321 8.451 -1.684 1.00 0.17 C ATOM 303 N9 DG A 10 2.988 7.069 -2.077 1.00 0.17 N ATOM 304 C8 DG A 10 2.195 6.640 -3.107 1.00 0.21 C ATOM 305 N7 DG A 10 2.086 5.344 -3.187 1.00 0.22 N ATOM 306 C5 DG A 10 2.864 4.877 -2.133 1.00 0.20 C ATOM 307 C6 DG A 10 3.127 3.544 -1.719 1.00 0.23 C ATOM 308 O6 DG A 10 2.711 2.497 -2.213 1.00 0.28 O ATOM 309 N1 DG A 10 3.963 3.511 -0.612 1.00 0.25 N ATOM 310 C2 DG A 10 4.483 4.622 0.020 1.00 0.23 C ATOM 311 N2 DG A 10 5.270 4.391 1.071 1.00 0.28 N ATOM 312 N3 DG A 10 4.236 5.877 -0.368 1.00 0.18 N ATOM 313 C4 DG A 10 3.422 5.927 -1.447 1.00 0.17 C ATOM 0 H5' DG A 10 0.113 10.790 -2.025 1.00 0.24 H new ATOM 0 H5'' DG A 10 1.117 11.989 -2.816 1.00 0.24 H new ATOM 0 H4' DG A 10 2.202 11.152 -0.847 1.00 0.20 H new ATOM 0 H3' DG A 10 3.535 11.337 -3.278 1.00 0.17 H new ATOM 0 H2' DG A 10 3.657 8.976 -3.770 1.00 0.17 H new ATOM 0 H2'' DG A 10 5.082 9.140 -2.763 1.00 0.17 H new ATOM 0 H1' DG A 10 4.013 8.381 -0.845 1.00 0.17 H new ATOM 0 H8 DG A 10 1.704 7.315 -3.792 1.00 0.21 H new ATOM 0 H1 DG A 10 4.212 2.596 -0.237 1.00 0.25 H new ATOM 0 H21 DG A 10 5.684 5.172 1.579 1.00 0.28 H new ATOM 0 H22 DG A 10 5.458 3.433 1.367 1.00 0.28 H new ATOM 325 P DT A 11 4.202 12.648 -0.766 1.00 0.29 P ATOM 326 OP1 DT A 11 2.920 13.163 -1.296 1.00 0.38 O ATOM 327 OP2 DT A 11 5.419 13.486 -0.838 1.00 0.34 O ATOM 328 O5' DT A 11 3.975 12.219 0.770 1.00 0.40 O ATOM 329 C5' DT A 11 5.076 12.180 1.681 1.00 0.52 C ATOM 330 C4' DT A 11 4.630 11.787 3.087 1.00 0.51 C ATOM 331 O4' DT A 11 5.743 11.874 3.985 1.00 0.69 O ATOM 332 C3' DT A 11 3.519 12.675 3.654 1.00 0.49 C ATOM 333 O3' DT A 11 2.543 11.857 4.309 1.00 0.37 O ATOM 334 C2' DT A 11 4.231 13.550 4.676 1.00 0.74 C ATOM 335 C1' DT A 11 5.351 12.631 5.130 1.00 0.80 C ATOM 336 N1 DT A 11 6.544 13.335 5.637 1.00 0.99 N ATOM 337 C2 DT A 11 6.417 14.027 6.825 1.00 1.06 C ATOM 338 O2 DT A 11 5.359 14.069 7.449 1.00 0.97 O ATOM 339 N3 DT A 11 7.554 14.674 7.276 1.00 1.25 N ATOM 340 C4 DT A 11 8.787 14.686 6.647 1.00 1.39 C ATOM 341 O4 DT A 11 9.735 15.296 7.137 1.00 1.55 O ATOM 342 C5 DT A 11 8.824 13.937 5.412 1.00 1.30 C ATOM 343 C7 DT A 11 10.123 13.865 4.615 1.00 1.45 C ATOM 344 C6 DT A 11 7.729 13.298 4.953 1.00 1.11 C ATOM 0 H5' DT A 11 5.558 13.157 1.712 1.00 0.52 H new ATOM 0 H5'' DT A 11 5.820 11.469 1.323 1.00 0.52 H new ATOM 0 H4' DT A 11 4.242 10.772 3.001 1.00 0.51 H new ATOM 0 H3' DT A 11 3.003 13.256 2.889 1.00 0.49 H new ATOM 0 H2' DT A 11 4.610 14.472 4.234 1.00 0.74 H new ATOM 0 H2'' DT A 11 3.576 13.836 5.499 1.00 0.74 H new ATOM 0 H1' DT A 11 4.974 12.028 5.956 1.00 0.80 H new ATOM 0 H3 DT A 11 7.476 15.190 8.153 1.00 1.25 H new ATOM 0 H71 DT A 11 10.166 12.920 4.074 1.00 1.45 H new ATOM 0 H72 DT A 11 10.161 14.691 3.905 1.00 1.45 H new ATOM 0 H73 DT A 11 10.972 13.932 5.296 1.00 1.45 H new ATOM 0 H6 DT A 11 7.788 12.746 4.027 1.00 1.11 H new ATOM 357 P DG A 12 1.200 12.510 4.910 1.00 0.31 P ATOM 358 OP1 DG A 12 0.224 12.660 3.807 1.00 0.36 O ATOM 359 OP2 DG A 12 1.581 13.688 5.721 1.00 0.46 O ATOM 360 O5' DG A 12 0.662 11.364 5.906 1.00 0.20 O ATOM 361 C5' DG A 12 -0.129 10.279 5.412 1.00 0.16 C ATOM 362 C4' DG A 12 0.496 8.929 5.751 1.00 0.11 C ATOM 363 O4' DG A 12 -0.405 7.880 5.399 1.00 0.13 O ATOM 364 C3' DG A 12 1.815 8.652 5.017 1.00 0.13 C ATOM 365 O3' DG A 12 2.868 8.482 5.971 1.00 0.15 O ATOM 366 C2' DG A 12 1.581 7.337 4.272 1.00 0.13 C ATOM 367 C1' DG A 12 0.380 6.765 5.005 1.00 0.12 C ATOM 368 N9 DG A 12 -0.462 5.878 4.184 1.00 0.15 N ATOM 369 C8 DG A 12 -1.312 6.206 3.161 1.00 0.18 C ATOM 370 N7 DG A 12 -1.915 5.181 2.624 1.00 0.21 N ATOM 371 C5 DG A 12 -1.431 4.094 3.345 1.00 0.19 C ATOM 372 C6 DG A 12 -1.728 2.710 3.216 1.00 0.22 C ATOM 373 O6 DG A 12 -2.490 2.164 2.422 1.00 0.27 O ATOM 374 N1 DG A 12 -1.023 1.950 4.141 1.00 0.22 N ATOM 375 C2 DG A 12 -0.143 2.456 5.074 1.00 0.20 C ATOM 376 N2 DG A 12 0.441 1.568 5.879 1.00 0.25 N ATOM 377 N3 DG A 12 0.137 3.756 5.197 1.00 0.17 N ATOM 378 C4 DG A 12 -0.542 4.512 4.304 1.00 0.16 C ATOM 0 H5' DG A 12 -0.237 10.369 4.331 1.00 0.16 H new ATOM 0 H5'' DG A 12 -1.131 10.334 5.838 1.00 0.16 H new ATOM 0 H4' DG A 12 0.701 8.964 6.821 1.00 0.11 H new ATOM 0 H3' DG A 12 2.097 9.465 4.347 1.00 0.13 H new ATOM 0 H2' DG A 12 1.374 7.499 3.214 1.00 0.13 H new ATOM 0 H2'' DG A 12 2.446 6.676 4.330 1.00 0.13 H new ATOM 0 H1' DG A 12 0.743 6.157 5.833 1.00 0.12 H new ATOM 0 H8 DG A 12 -1.469 7.222 2.829 1.00 0.18 H new ATOM 0 H1 DG A 12 -1.168 0.940 4.129 1.00 0.22 H new ATOM 0 H21 DG A 12 1.102 1.881 6.590 1.00 0.25 H new ATOM 0 H22 DG A 12 0.227 0.575 5.784 1.00 0.25 H new ATOM 390 P DG A 13 4.380 8.217 5.480 1.00 0.23 P ATOM 391 OP1 DG A 13 4.821 9.387 4.688 1.00 0.29 O ATOM 392 OP2 DG A 13 4.446 6.863 4.891 1.00 0.28 O ATOM 393 O5' DG A 13 5.207 8.204 6.861 1.00 0.29 O ATOM 394 C5' DG A 13 4.994 7.180 7.839 1.00 0.32 C ATOM 395 C4' DG A 13 5.507 5.818 7.369 1.00 0.30 C ATOM 396 O4' DG A 13 4.576 5.217 6.476 1.00 0.27 O ATOM 397 C3' DG A 13 6.847 5.871 6.626 1.00 0.31 C ATOM 398 O3' DG A 13 7.871 5.312 7.457 1.00 0.37 O ATOM 399 C2' DG A 13 6.643 4.988 5.385 1.00 0.30 C ATOM 400 C1' DG A 13 5.316 4.303 5.681 1.00 0.26 C ATOM 401 N9 DG A 13 4.509 3.976 4.487 1.00 0.23 N ATOM 402 C8 DG A 13 4.066 4.810 3.494 1.00 0.21 C ATOM 403 N7 DG A 13 3.344 4.217 2.585 1.00 0.19 N ATOM 404 C5 DG A 13 3.306 2.891 3.002 1.00 0.19 C ATOM 405 C6 DG A 13 2.666 1.768 2.408 1.00 0.19 C ATOM 406 O6 DG A 13 1.992 1.730 1.382 1.00 0.19 O ATOM 407 N1 DG A 13 2.876 0.612 3.148 1.00 0.21 N ATOM 408 C2 DG A 13 3.611 0.540 4.313 1.00 0.23 C ATOM 409 N2 DG A 13 3.704 -0.663 4.878 1.00 0.26 N ATOM 410 N3 DG A 13 4.212 1.595 4.873 1.00 0.24 N ATOM 411 C4 DG A 13 4.017 2.732 4.165 1.00 0.22 C ATOM 0 H5' DG A 13 3.929 7.108 8.062 1.00 0.32 H new ATOM 0 H5'' DG A 13 5.496 7.455 8.766 1.00 0.32 H new ATOM 0 H4' DG A 13 5.639 5.245 8.287 1.00 0.30 H new ATOM 0 H3' DG A 13 7.144 6.887 6.365 1.00 0.31 H new ATOM 0 H2' DG A 13 6.599 5.578 4.470 1.00 0.30 H new ATOM 0 H2'' DG A 13 7.452 4.268 5.262 1.00 0.30 H new ATOM 0 H1' DG A 13 5.530 3.350 6.164 1.00 0.26 H new ATOM 0 H8 DG A 13 4.295 5.865 3.467 1.00 0.21 H new ATOM 0 H1 DG A 13 2.454 -0.250 2.804 1.00 0.21 H new ATOM 0 H21 DG A 13 4.234 -0.781 5.741 1.00 0.26 H new ATOM 0 H22 DG A 13 3.245 -1.466 4.447 1.00 0.26 H new ATOM 423 P DG A 14 9.338 5.016 6.862 1.00 0.42 P ATOM 424 OP1 DG A 14 10.318 5.121 7.967 1.00 0.58 O ATOM 425 OP2 DG A 14 9.515 5.830 5.640 1.00 0.44 O ATOM 426 O5' DG A 14 9.233 3.470 6.427 1.00 0.37 O ATOM 427 C5' DG A 14 9.082 2.446 7.415 1.00 0.41 C ATOM 428 C4' DG A 14 8.935 1.069 6.775 1.00 0.40 C ATOM 429 O4' DG A 14 7.815 1.075 5.893 1.00 0.37 O ATOM 430 C3' DG A 14 10.155 0.636 5.952 1.00 0.41 C ATOM 431 O3' DG A 14 10.739 -0.542 6.527 1.00 0.39 O ATOM 432 C2' DG A 14 9.607 0.322 4.559 1.00 0.44 C ATOM 433 C1' DG A 14 8.111 0.212 4.804 1.00 0.42 C ATOM 434 N9 DG A 14 7.277 0.628 3.661 1.00 0.41 N ATOM 435 C8 DG A 14 7.043 1.891 3.185 1.00 0.41 C ATOM 436 N7 DG A 14 6.244 1.928 2.157 1.00 0.42 N ATOM 437 C5 DG A 14 5.923 0.594 1.933 1.00 0.42 C ATOM 438 C6 DG A 14 5.085 0.013 0.942 1.00 0.44 C ATOM 439 O6 DG A 14 4.450 0.578 0.054 1.00 0.46 O ATOM 440 N1 DG A 14 5.032 -1.369 1.068 1.00 0.45 N ATOM 441 C2 DG A 14 5.702 -2.103 2.026 1.00 0.44 C ATOM 442 N2 DG A 14 5.530 -3.424 1.988 1.00 0.46 N ATOM 443 N3 DG A 14 6.489 -1.557 2.957 1.00 0.43 N ATOM 444 C4 DG A 14 6.552 -0.210 2.850 1.00 0.42 C ATOM 0 H5' DG A 14 8.207 2.658 8.030 1.00 0.41 H new ATOM 0 H5'' DG A 14 9.946 2.449 8.079 1.00 0.41 H new ATOM 0 H4' DG A 14 8.816 0.368 7.601 1.00 0.40 H new ATOM 0 H3' DG A 14 10.927 1.405 5.925 1.00 0.41 H new ATOM 0 H2' DG A 14 9.843 1.110 3.844 1.00 0.44 H new ATOM 0 H2'' DG A 14 10.021 -0.604 4.161 1.00 0.44 H new ATOM 0 H1' DG A 14 7.881 -0.837 4.989 1.00 0.42 H new ATOM 0 H8 DG A 14 7.481 2.776 3.622 1.00 0.41 H new ATOM 0 H1 DG A 14 4.454 -1.881 0.402 1.00 0.45 H new ATOM 0 H21 DG A 14 5.999 -4.019 2.670 1.00 0.46 H new ATOM 0 H22 DG A 14 4.929 -3.840 1.277 1.00 0.46 H new ATOM 456 P DT A 15 9.844 -1.834 6.897 1.00 0.39 P ATOM 457 OP1 DT A 15 10.757 -2.980 7.103 1.00 0.48 O ATOM 458 OP2 DT A 15 8.743 -1.939 5.918 1.00 0.41 O ATOM 459 O5' DT A 15 9.216 -1.433 8.325 1.00 0.42 O ATOM 460 C5' DT A 15 10.032 -1.442 9.500 1.00 0.42 C ATOM 461 C4' DT A 15 9.353 -2.171 10.656 1.00 0.35 C ATOM 462 O4' DT A 15 10.275 -2.311 11.742 1.00 0.37 O ATOM 463 C3' DT A 15 8.113 -1.455 11.206 1.00 0.32 C ATOM 464 O3' DT A 15 7.052 -2.407 11.367 1.00 0.37 O ATOM 465 C2' DT A 15 8.564 -0.937 12.568 1.00 0.30 C ATOM 466 C1' DT A 15 9.598 -1.982 12.952 1.00 0.31 C ATOM 467 N1 DT A 15 10.607 -1.524 13.942 1.00 0.41 N ATOM 468 C2 DT A 15 11.943 -1.781 13.665 1.00 0.49 C ATOM 469 O2 DT A 15 12.305 -2.369 12.649 1.00 0.50 O ATOM 470 N3 DT A 15 12.854 -1.341 14.608 1.00 0.63 N ATOM 471 C4 DT A 15 12.556 -0.680 15.785 1.00 0.71 C ATOM 472 O4 DT A 15 13.451 -0.334 16.553 1.00 0.85 O ATOM 473 C5 DT A 15 11.144 -0.456 15.993 1.00 0.65 C ATOM 474 C7 DT A 15 10.679 0.264 17.254 1.00 0.80 C ATOM 475 C6 DT A 15 10.231 -0.872 15.092 1.00 0.50 C ATOM 0 H5' DT A 15 10.253 -0.417 9.797 1.00 0.42 H new ATOM 0 H5'' DT A 15 10.985 -1.922 9.277 1.00 0.42 H new ATOM 0 H4' DT A 15 9.035 -3.131 10.248 1.00 0.35 H new ATOM 0 H3' DT A 15 7.747 -0.660 10.556 1.00 0.32 H new ATOM 0 H2' DT A 15 8.993 0.063 12.507 1.00 0.30 H new ATOM 0 H2'' DT A 15 7.742 -0.889 13.283 1.00 0.30 H new ATOM 0 H1' DT A 15 9.082 -2.816 13.427 1.00 0.31 H new ATOM 0 H3 DT A 15 13.840 -1.521 14.417 1.00 0.63 H new ATOM 0 H71 DT A 15 9.758 0.808 17.044 1.00 0.80 H new ATOM 0 H72 DT A 15 10.497 -0.465 18.043 1.00 0.80 H new ATOM 0 H73 DT A 15 11.449 0.965 17.578 1.00 0.80 H new ATOM 0 H6 DT A 15 9.183 -0.689 15.278 1.00 0.50 H new ATOM 488 P DG A 16 5.570 -1.933 11.793 1.00 0.39 P ATOM 489 OP1 DG A 16 5.190 -0.779 10.950 1.00 0.43 O ATOM 490 OP2 DG A 16 5.530 -1.814 13.267 1.00 0.46 O ATOM 491 O5' DG A 16 4.663 -3.193 11.363 1.00 0.37 O ATOM 492 C5' DG A 16 3.401 -2.994 10.720 1.00 0.31 C ATOM 493 C4' DG A 16 2.906 -4.276 10.056 1.00 0.21 C ATOM 494 O4' DG A 16 1.678 -4.015 9.365 1.00 0.22 O ATOM 495 C3' DG A 16 3.886 -4.856 9.041 1.00 0.21 C ATOM 496 O3' DG A 16 3.882 -6.285 9.130 1.00 0.18 O ATOM 497 C2' DG A 16 3.333 -4.414 7.695 1.00 0.25 C ATOM 498 C1' DG A 16 1.839 -4.307 7.973 1.00 0.23 C ATOM 499 N9 DG A 16 1.172 -3.228 7.217 1.00 0.24 N ATOM 500 C8 DG A 16 1.317 -1.873 7.359 1.00 0.27 C ATOM 501 N7 DG A 16 0.591 -1.173 6.537 1.00 0.29 N ATOM 502 C5 DG A 16 -0.089 -2.129 5.790 1.00 0.27 C ATOM 503 C6 DG A 16 -1.027 -1.960 4.737 1.00 0.29 C ATOM 504 O6 DG A 16 -1.445 -0.912 4.249 1.00 0.31 O ATOM 505 N1 DG A 16 -1.475 -3.181 4.254 1.00 0.29 N ATOM 506 C2 DG A 16 -1.074 -4.414 4.722 1.00 0.29 C ATOM 507 N2 DG A 16 -1.620 -5.474 4.124 1.00 0.34 N ATOM 508 N3 DG A 16 -0.191 -4.577 5.714 1.00 0.28 N ATOM 509 C4 DG A 16 0.259 -3.393 6.199 1.00 0.26 C ATOM 0 H5' DG A 16 3.492 -2.207 9.972 1.00 0.31 H new ATOM 0 H5'' DG A 16 2.668 -2.655 11.452 1.00 0.31 H new ATOM 0 H4' DG A 16 2.782 -5.001 10.861 1.00 0.21 H new ATOM 0 H3' DG A 16 4.912 -4.523 9.201 1.00 0.21 H new ATOM 0 H2' DG A 16 3.756 -3.462 7.375 1.00 0.25 H new ATOM 0 H2'' DG A 16 3.549 -5.138 6.910 1.00 0.25 H new ATOM 0 H1' DG A 16 1.385 -5.250 7.670 1.00 0.23 H new ATOM 0 H8 DG A 16 1.976 -1.426 8.089 1.00 0.27 H new ATOM 0 H1 DG A 16 -2.154 -3.165 3.493 1.00 0.29 H new ATOM 0 H21 DG A 16 -1.366 -6.415 4.423 1.00 0.34 H new ATOM 0 H22 DG A 16 -2.292 -5.343 3.368 1.00 0.34 H new ATOM 521 P DG A 17 5.041 -7.145 8.417 1.00 0.17 P ATOM 522 OP1 DG A 17 5.171 -8.434 9.132 1.00 0.24 O ATOM 523 OP2 DG A 17 6.225 -6.273 8.247 1.00 0.22 O ATOM 524 O5' DG A 17 4.419 -7.436 6.963 1.00 0.18 O ATOM 525 C5' DG A 17 3.423 -8.447 6.792 1.00 0.18 C ATOM 526 C4' DG A 17 2.941 -8.516 5.347 1.00 0.19 C ATOM 527 O4' DG A 17 2.320 -7.280 4.990 1.00 0.23 O ATOM 528 C3' DG A 17 4.064 -8.770 4.333 1.00 0.19 C ATOM 529 O3' DG A 17 3.733 -9.908 3.530 1.00 0.23 O ATOM 530 C2' DG A 17 4.092 -7.515 3.465 1.00 0.22 C ATOM 531 C1' DG A 17 2.686 -6.977 3.651 1.00 0.21 C ATOM 532 N9 DG A 17 2.563 -5.519 3.464 1.00 0.19 N ATOM 533 C8 DG A 17 3.220 -4.509 4.118 1.00 0.19 C ATOM 534 N7 DG A 17 2.888 -3.313 3.713 1.00 0.20 N ATOM 535 C5 DG A 17 1.944 -3.548 2.718 1.00 0.18 C ATOM 536 C6 DG A 17 1.223 -2.626 1.909 1.00 0.20 C ATOM 537 O6 DG A 17 1.282 -1.399 1.914 1.00 0.23 O ATOM 538 N1 DG A 17 0.370 -3.280 1.030 1.00 0.21 N ATOM 539 C2 DG A 17 0.227 -4.650 0.940 1.00 0.20 C ATOM 540 N2 DG A 17 -0.643 -5.095 0.036 1.00 0.23 N ATOM 541 N3 DG A 17 0.902 -5.515 1.698 1.00 0.19 N ATOM 542 C4 DG A 17 1.740 -4.896 2.560 1.00 0.18 C ATOM 0 H5' DG A 17 2.578 -8.242 7.449 1.00 0.18 H new ATOM 0 H5'' DG A 17 3.830 -9.414 7.088 1.00 0.18 H new ATOM 0 H4' DG A 17 2.249 -9.357 5.305 1.00 0.19 H new ATOM 0 H3' DG A 17 5.025 -8.966 4.810 1.00 0.19 H new ATOM 0 H2' DG A 17 4.849 -6.805 3.798 1.00 0.22 H new ATOM 0 H2'' DG A 17 4.307 -7.744 2.421 1.00 0.22 H new ATOM 0 H1' DG A 17 2.047 -7.435 2.896 1.00 0.21 H new ATOM 0 H8 DG A 17 3.946 -4.687 4.897 1.00 0.19 H new ATOM 0 H1 DG A 17 -0.193 -2.705 0.404 1.00 0.21 H new ATOM 0 H21 DG A 17 -0.793 -6.098 -0.078 1.00 0.23 H new ATOM 0 H22 DG A 17 -1.160 -4.433 -0.543 1.00 0.23 H new ATOM 554 P DG A 18 4.657 -10.319 2.277 1.00 0.28 P ATOM 555 OP1 DG A 18 4.536 -11.780 2.071 1.00 0.36 O ATOM 556 OP2 DG A 18 5.992 -9.711 2.468 1.00 0.32 O ATOM 557 O5' DG A 18 3.935 -9.575 1.046 1.00 0.27 O ATOM 558 C5' DG A 18 2.693 -10.062 0.532 1.00 0.24 C ATOM 559 C4' DG A 18 2.310 -9.365 -0.769 1.00 0.21 C ATOM 560 O4' DG A 18 2.132 -7.969 -0.532 1.00 0.22 O ATOM 561 C3' DG A 18 3.360 -9.504 -1.878 1.00 0.22 C ATOM 562 O3' DG A 18 2.776 -10.166 -3.005 1.00 0.28 O ATOM 563 C2' DG A 18 3.726 -8.068 -2.258 1.00 0.26 C ATOM 564 C1' DG A 18 2.558 -7.274 -1.696 1.00 0.25 C ATOM 565 N9 DG A 18 2.901 -5.896 -1.299 1.00 0.26 N ATOM 566 C8 DG A 18 3.747 -5.477 -0.306 1.00 0.26 C ATOM 567 N7 DG A 18 3.839 -4.182 -0.203 1.00 0.28 N ATOM 568 C5 DG A 18 2.995 -3.704 -1.199 1.00 0.30 C ATOM 569 C6 DG A 18 2.688 -2.367 -1.566 1.00 0.33 C ATOM 570 O6 DG A 18 3.113 -1.324 -1.072 1.00 0.37 O ATOM 571 N1 DG A 18 1.789 -2.323 -2.623 1.00 0.35 N ATOM 572 C2 DG A 18 1.251 -3.428 -3.250 1.00 0.35 C ATOM 573 N2 DG A 18 0.402 -3.185 -4.249 1.00 0.38 N ATOM 574 N3 DG A 18 1.538 -4.687 -2.906 1.00 0.32 N ATOM 575 C4 DG A 18 2.415 -4.748 -1.875 1.00 0.30 C ATOM 0 H5' DG A 18 1.908 -9.909 1.272 1.00 0.24 H new ATOM 0 H5'' DG A 18 2.765 -11.136 0.362 1.00 0.24 H new ATOM 0 H4' DG A 18 1.394 -9.851 -1.104 1.00 0.21 H new ATOM 0 H3' DG A 18 4.228 -10.081 -1.560 1.00 0.22 H new ATOM 0 H2' DG A 18 4.675 -7.761 -1.819 1.00 0.26 H new ATOM 0 H2'' DG A 18 3.820 -7.945 -3.337 1.00 0.26 H new ATOM 0 H1' DG A 18 1.799 -7.191 -2.474 1.00 0.25 H new ATOM 0 H8 DG A 18 4.288 -6.159 0.333 1.00 0.26 H new ATOM 0 H1 DG A 18 1.505 -1.404 -2.962 1.00 0.35 H new ATOM 0 H21 DG A 18 -0.029 -3.961 -4.752 1.00 0.38 H new ATOM 0 H22 DG A 18 0.184 -2.223 -4.510 1.00 0.38 H new ATOM 587 P DT A 19 3.689 -10.617 -4.252 1.00 0.32 P ATOM 588 OP1 DT A 19 2.933 -11.614 -5.043 1.00 0.44 O ATOM 589 OP2 DT A 19 5.038 -10.950 -3.741 1.00 0.32 O ATOM 590 O5' DT A 19 3.800 -9.265 -5.120 1.00 0.36 O ATOM 591 C5' DT A 19 2.649 -8.737 -5.784 1.00 0.44 C ATOM 592 C4' DT A 19 3.032 -7.921 -7.016 1.00 0.62 C ATOM 593 O4' DT A 19 3.820 -6.790 -6.620 1.00 0.62 O ATOM 594 C3' DT A 19 3.851 -8.704 -8.048 1.00 0.74 C ATOM 595 O3' DT A 19 3.389 -8.444 -9.378 1.00 0.94 O ATOM 596 C2' DT A 19 5.263 -8.178 -7.845 1.00 0.70 C ATOM 597 C1' DT A 19 4.978 -6.743 -7.449 1.00 0.69 C ATOM 598 N1 DT A 19 6.061 -6.088 -6.690 1.00 0.61 N ATOM 599 C2 DT A 19 6.685 -5.006 -7.281 1.00 0.80 C ATOM 600 O2 DT A 19 6.364 -4.592 -8.392 1.00 1.02 O ATOM 601 N3 DT A 19 7.696 -4.413 -6.546 1.00 0.75 N ATOM 602 C4 DT A 19 8.129 -4.804 -5.291 1.00 0.57 C ATOM 603 O4 DT A 19 9.041 -4.203 -4.727 1.00 0.62 O ATOM 604 C5 DT A 19 7.419 -5.942 -4.753 1.00 0.41 C ATOM 605 C7 DT A 19 7.794 -6.479 -3.376 1.00 0.43 C ATOM 606 C6 DT A 19 6.429 -6.538 -5.450 1.00 0.41 C ATOM 0 H5' DT A 19 2.086 -8.110 -5.093 1.00 0.44 H new ATOM 0 H5'' DT A 19 1.992 -9.555 -6.079 1.00 0.44 H new ATOM 0 H4' DT A 19 2.089 -7.630 -7.480 1.00 0.62 H new ATOM 0 H3' DT A 19 3.776 -9.784 -7.921 1.00 0.74 H new ATOM 0 H2' DT A 19 5.799 -8.722 -7.068 1.00 0.70 H new ATOM 0 H2'' DT A 19 5.863 -8.245 -8.752 1.00 0.70 H new ATOM 0 HO3' DT A 19 3.929 -8.954 -10.017 1.00 0.94 H new ATOM 0 H1' DT A 19 4.859 -6.158 -8.361 1.00 0.69 H new ATOM 0 H3 DT A 19 8.166 -3.613 -6.969 1.00 0.75 H new ATOM 0 H71 DT A 19 6.915 -6.919 -2.905 1.00 0.43 H new ATOM 0 H72 DT A 19 8.568 -7.239 -3.480 1.00 0.43 H new ATOM 0 H73 DT A 19 8.167 -5.663 -2.757 1.00 0.43 H new ATOM 0 H6 DT A 19 5.917 -7.387 -5.021 1.00 0.41 H new TER 620 DT A 19