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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115 C6 DT A 4 -4.455 -15.223 -5.787 1.00 0.45 C ATOM 0 H5' DT A 4 -5.860 -12.454 -2.947 1.00 0.21 H new ATOM 0 H5'' DT A 4 -4.247 -11.954 -2.480 1.00 0.21 H new ATOM 0 H4' DT A 4 -4.015 -10.673 -4.531 1.00 0.20 H new ATOM 0 H3' DT A 4 -6.838 -10.809 -4.814 1.00 0.19 H new ATOM 0 H2' DT A 4 -6.909 -12.913 -5.971 1.00 0.27 H new ATOM 0 H2'' DT A 4 -6.479 -11.893 -7.330 1.00 0.27 H new ATOM 0 H1' DT A 4 -4.186 -12.338 -7.140 1.00 0.29 H new ATOM 0 H3 DT A 4 -5.274 -16.226 -9.280 1.00 0.63 H new ATOM 0 H71 DT A 4 -3.417 -17.113 -4.301 1.00 0.64 H new ATOM 0 H72 DT A 4 -5.011 -17.874 -4.514 1.00 0.64 H new ATOM 0 H73 DT A 4 -3.625 -18.426 -5.484 1.00 0.64 H new ATOM 0 H6 DT A 4 -4.218 -14.918 -4.778 1.00 0.45 H new ATOM 128 P DG A 5 -6.704 -9.082 -6.985 1.00 0.18 P ATOM 129 OP1 DG A 5 -7.935 -9.005 -6.170 1.00 0.26 O ATOM 130 OP2 DG A 5 -6.756 -9.664 -8.344 1.00 0.25 O ATOM 131 O5' DG A 5 -6.081 -7.602 -7.093 1.00 0.21 O ATOM 132 C5' DG A 5 -5.746 -6.865 -5.913 1.00 0.21 C ATOM 133 C4' DG A 5 -5.693 -5.366 -6.185 1.00 0.23 C ATOM 134 O4' DG A 5 -5.361 -4.678 -4.980 1.00 0.22 O ATOM 135 C3' DG A 5 -4.661 -4.969 -7.242 1.00 0.27 C ATOM 136 O3' DG A 5 -5.317 -4.278 -8.310 1.00 0.33 O ATOM 137 C2' DG A 5 -3.700 -4.020 -6.524 1.00 0.25 C ATOM 138 C1' DG A 5 -4.502 -3.591 -5.305 1.00 0.23 C ATOM 139 N9 DG A 5 -3.676 -3.311 -4.118 1.00 0.23 N ATOM 140 C8 DG A 5 -3.089 -4.204 -3.264 1.00 0.25 C ATOM 141 N7 DG A 5 -2.402 -3.648 -2.306 1.00 0.25 N ATOM 142 C5 DG A 5 -2.544 -2.284 -2.542 1.00 0.22 C ATOM 143 C6 DG A 5 -2.016 -1.176 -1.824 1.00 0.22 C ATOM 144 O6 DG A 5 -1.304 -1.186 -0.823 1.00 0.23 O ATOM 145 N1 DG A 5 -2.398 0.029 -2.396 1.00 0.22 N ATOM 146 C2 DG A 5 -3.192 0.158 -3.518 1.00 0.23 C ATOM 147 N2 DG A 5 -3.454 1.402 -3.917 1.00 0.26 N ATOM 148 N3 DG A 5 -3.688 -0.883 -4.194 1.00 0.23 N ATOM 149 C4 DG A 5 -3.325 -2.068 -3.650 1.00 0.22 C ATOM 0 H5' DG A 5 -4.781 -7.201 -5.535 1.00 0.21 H new ATOM 0 H5'' DG A 5 -6.482 -7.069 -5.135 1.00 0.21 H new ATOM 0 H4' DG A 5 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ATOM 171 C1' DG A 6 -2.300 0.760 -8.072 1.00 0.26 C ATOM 172 N9 DG A 6 -1.361 0.330 -7.020 1.00 0.26 N ATOM 173 C8 DG A 6 -0.970 -0.940 -6.687 1.00 0.27 C ATOM 174 N7 DG A 6 -0.133 -0.993 -5.689 1.00 0.27 N ATOM 175 C5 DG A 6 0.046 0.340 -5.332 1.00 0.27 C ATOM 176 C6 DG A 6 0.851 0.907 -4.307 1.00 0.30 C ATOM 177 O6 DG A 6 1.575 0.330 -3.498 1.00 0.31 O ATOM 178 N1 DG A 6 0.747 2.291 -4.286 1.00 0.32 N ATOM 179 C2 DG A 6 -0.034 3.039 -5.144 1.00 0.33 C ATOM 180 N2 DG A 6 -0.006 4.361 -4.973 1.00 0.37 N ATOM 181 N3 DG A 6 -0.792 2.506 -6.108 1.00 0.30 N ATOM 182 C4 DG A 6 -0.702 1.157 -6.142 1.00 0.27 C ATOM 0 H5' DG A 6 -5.628 -1.455 -8.560 1.00 0.32 H new ATOM 0 H5'' DG A 6 -5.457 -1.305 -10.298 1.00 0.32 H new ATOM 0 H4' DG A 6 -4.939 0.774 -9.236 1.00 0.28 H new ATOM 0 H3' DG A 6 -3.040 -0.517 -10.982 1.00 0.26 H new ATOM 0 H2' DG A 6 -1.162 -0.366 -9.544 1.00 0.24 H new ATOM 0 H2'' DG A 6 -1.248 1.351 -9.882 1.00 0.24 H new ATOM 0 H1' DG A 6 -2.427 1.836 -7.950 1.00 0.26 H new ATOM 0 H8 DG A 6 -1.324 -1.819 -7.205 1.00 0.27 H new ATOM 0 H1 DG A 6 1.289 2.794 -3.583 1.00 0.32 H new ATOM 0 H21 DG A 6 -0.563 4.965 -5.577 1.00 0.37 H new ATOM 0 H22 DG A 6 0.572 4.768 -4.238 1.00 0.37 H new ATOM 194 P DT A 7 -3.761 2.858 -10.168 1.00 0.33 P ATOM 195 OP1 DT A 7 -3.981 3.929 -11.166 1.00 0.40 O ATOM 196 OP2 DT A 7 -2.717 3.021 -9.133 1.00 0.37 O ATOM 197 O5' DT A 7 -5.160 2.558 -9.429 1.00 0.36 O ATOM 198 C5' DT A 7 -6.391 2.521 -10.163 1.00 0.37 C ATOM 199 C4' DT A 7 -6.963 3.920 -10.381 1.00 0.34 C ATOM 200 O4' DT A 7 -6.148 4.635 -11.310 1.00 0.22 O ATOM 201 C3' DT A 7 -8.393 3.927 -10.936 1.00 0.46 C ATOM 202 O3' DT A 7 -9.232 4.693 -10.065 1.00 0.62 O ATOM 203 C2' DT A 7 -8.284 4.625 -12.290 1.00 0.35 C ATOM 204 C1' DT A 7 -7.005 5.425 -12.125 1.00 0.19 C ATOM 205 N1 DT A 7 -6.297 5.709 -13.389 1.00 0.23 N ATOM 206 C2 DT A 7 -6.593 6.898 -14.028 1.00 0.27 C ATOM 207 O2 DT A 7 -7.411 7.697 -13.578 1.00 0.24 O ATOM 208 N3 DT A 7 -5.913 7.137 -15.209 1.00 0.51 N ATOM 209 C4 DT A 7 -4.978 6.301 -15.795 1.00 0.67 C ATOM 210 O4 DT A 7 -4.433 6.614 -16.851 1.00 0.88 O ATOM 211 C5 DT A 7 -4.735 5.083 -15.055 1.00 0.59 C ATOM 212 C7 DT A 7 -3.727 4.071 -15.588 1.00 0.79 C ATOM 213 C6 DT A 7 -5.385 4.827 -13.902 1.00 0.40 C ATOM 0 H5' DT A 7 -7.117 1.911 -9.625 1.00 0.37 H new ATOM 0 H5'' DT A 7 -6.225 2.042 -11.128 1.00 0.37 H new ATOM 0 H4' DT A 7 -6.978 4.385 -9.395 1.00 0.34 H new ATOM 0 H3' DT A 7 -8.816 2.926 -11.021 1.00 0.46 H new ATOM 0 H2' DT A 7 -8.218 3.913 -13.113 1.00 0.35 H new ATOM 0 H2'' DT A 7 -9.143 5.265 -12.491 1.00 0.35 H new ATOM 0 H1' DT A 7 -7.265 6.394 -11.699 1.00 0.19 H new ATOM 0 H3 DT A 7 -6.120 8.011 -15.693 1.00 0.51 H new ATOM 0 H71 DT A 7 -3.273 3.536 -14.754 1.00 0.79 H new ATOM 0 H72 DT A 7 -4.235 3.361 -16.241 1.00 0.79 H new ATOM 0 H73 DT A 7 -2.952 4.591 -16.151 1.00 0.79 H new ATOM 0 H6 DT A 7 -5.182 3.908 -13.373 1.00 0.40 H new ATOM 226 P DG A 8 -9.670 4.108 -8.630 1.00 0.65 P ATOM 227 OP1 DG A 8 -10.597 2.975 -8.855 1.00 0.90 O ATOM 228 OP2 DG A 8 -10.084 5.242 -7.776 1.00 1.23 O ATOM 229 O5' DG A 8 -8.286 3.521 -8.053 1.00 0.56 O ATOM 230 C5' DG A 8 -8.203 3.045 -6.707 1.00 0.43 C ATOM 231 C4' DG A 8 -8.099 4.196 -5.711 1.00 0.28 C ATOM 232 O4' DG A 8 -7.967 3.670 -4.385 1.00 0.36 O ATOM 233 C3' DG A 8 -6.905 5.116 -5.958 1.00 0.25 C ATOM 234 O3' DG A 8 -7.310 6.479 -5.790 1.00 0.29 O ATOM 235 C2' DG A 8 -5.904 4.731 -4.878 1.00 0.22 C ATOM 236 C1' DG A 8 -6.817 4.246 -3.763 1.00 0.27 C ATOM 237 N9 DG A 8 -6.218 3.212 -2.897 1.00 0.28 N ATOM 238 C8 DG A 8 -6.385 1.853 -2.950 1.00 0.33 C ATOM 239 N7 DG A 8 -5.717 1.200 -2.040 1.00 0.34 N ATOM 240 C5 DG A 8 -5.058 2.199 -1.330 1.00 0.28 C ATOM 241 C6 DG A 8 -4.178 2.094 -0.218 1.00 0.28 C ATOM 242 O6 DG A 8 -3.805 1.078 0.365 1.00 0.32 O ATOM 243 N1 DG A 8 -3.732 3.341 0.197 1.00 0.25 N ATOM 244 C2 DG A 8 -4.085 4.541 -0.382 1.00 0.25 C ATOM 245 N2 DG A 8 -3.551 5.637 0.160 1.00 0.29 N ATOM 246 N3 DG A 8 -4.912 4.643 -1.428 1.00 0.25 N ATOM 247 C4 DG A 8 -5.358 3.435 -1.847 1.00 0.25 C ATOM 0 H5' DG A 8 -7.335 2.394 -6.603 1.00 0.43 H new ATOM 0 H5'' DG A 8 -9.082 2.443 -6.478 1.00 0.43 H new ATOM 0 H4' DG A 8 -9.009 4.783 -5.836 1.00 0.28 H new ATOM 0 H3' DG A 8 -6.492 5.018 -6.962 1.00 0.25 H new ATOM 0 H2' DG A 8 -5.220 3.952 -5.214 1.00 0.22 H new ATOM 0 H2'' DG A 8 -5.293 5.578 -4.566 1.00 0.22 H new ATOM 0 H1' DG A 8 -7.037 5.104 -3.127 1.00 0.27 H new ATOM 0 H8 DG A 8 -7.014 1.366 -3.680 1.00 0.33 H new ATOM 0 H1 DG A 8 -3.094 3.372 0.992 1.00 0.25 H new ATOM 0 H21 DG A 8 -3.773 6.556 -0.223 1.00 0.29 H new ATOM 0 H22 DG A 8 -2.920 5.556 0.958 1.00 0.29 H new ATOM 259 P DG A 9 -6.452 7.672 -6.450 1.00 0.29 P ATOM 260 OP1 DG A 9 -7.364 8.804 -6.726 1.00 0.43 O ATOM 261 OP2 DG A 9 -5.636 7.101 -7.544 1.00 0.32 O ATOM 262 O5' DG A 9 -5.462 8.100 -5.256 1.00 0.25 O ATOM 263 C5' DG A 9 -4.136 8.549 -5.543 1.00 0.20 C ATOM 264 C4' DG A 9 -3.352 8.831 -4.264 1.00 0.21 C ATOM 265 O4' DG A 9 -3.415 7.687 -3.409 1.00 0.24 O ATOM 266 C3' DG A 9 -1.872 9.144 -4.506 1.00 0.23 C ATOM 267 O3' DG A 9 -1.518 10.350 -3.819 1.00 0.26 O ATOM 268 C2' DG A 9 -1.124 7.963 -3.897 1.00 0.29 C ATOM 269 C1' DG A 9 -2.120 7.455 -2.867 1.00 0.23 C ATOM 270 N9 DG A 9 -2.009 6.012 -2.580 1.00 0.19 N ATOM 271 C8 DG A 9 -2.593 4.961 -3.238 1.00 0.20 C ATOM 272 N7 DG A 9 -2.298 3.794 -2.738 1.00 0.22 N ATOM 273 C5 DG A 9 -1.457 4.092 -1.670 1.00 0.20 C ATOM 274 C6 DG A 9 -0.814 3.220 -0.748 1.00 0.24 C ATOM 275 O6 DG A 9 -0.866 1.993 -0.697 1.00 0.29 O ATOM 276 N1 DG A 9 -0.054 3.928 0.173 1.00 0.24 N ATOM 277 C2 DG A 9 0.073 5.303 0.206 1.00 0.23 C ATOM 278 N2 DG A 9 0.846 5.805 1.167 1.00 0.29 N ATOM 279 N3 DG A 9 -0.530 6.121 -0.661 1.00 0.21 N ATOM 280 C4 DG A 9 -1.275 5.447 -1.566 1.00 0.18 C ATOM 0 H5' DG A 9 -4.180 9.453 -6.151 1.00 0.20 H new ATOM 0 H5'' DG A 9 -3.615 7.794 -6.132 1.00 0.20 H new ATOM 0 H4' DG A 9 -3.812 9.711 -3.815 1.00 0.21 H new ATOM 0 H3' DG A 9 -1.639 9.283 -5.562 1.00 0.23 H new ATOM 0 H2' DG A 9 -0.884 7.204 -4.642 1.00 0.29 H new ATOM 0 H2'' DG A 9 -0.183 8.268 -3.439 1.00 0.29 H new ATOM 0 H1' DG A 9 -1.925 7.977 -1.930 1.00 0.23 H new ATOM 0 H8 DG A 9 -3.239 5.088 -4.094 1.00 0.20 H new ATOM 0 H1 DG A 9 0.449 3.392 0.880 1.00 0.24 H new ATOM 0 H21 DG A 9 0.977 6.814 1.241 1.00 0.29 H new ATOM 0 H22 DG A 9 1.307 5.181 1.829 1.00 0.29 H new ATOM 292 P DG A 10 -0.181 11.153 -4.221 1.00 0.32 P ATOM 293 OP1 DG A 10 -0.304 12.541 -3.726 1.00 0.42 O ATOM 294 OP2 DG A 10 0.092 10.905 -5.655 1.00 0.40 O ATOM 295 O5' DG A 10 0.956 10.410 -3.357 1.00 0.27 O ATOM 296 C5' DG A 10 1.327 10.901 -2.066 1.00 0.37 C ATOM 297 C4' DG A 10 2.526 10.143 -1.504 1.00 0.40 C ATOM 298 O4' DG A 10 2.177 8.775 -1.317 1.00 0.39 O ATOM 299 C3' DG A 10 3.756 10.171 -2.418 1.00 0.37 C ATOM 300 O3' DG A 10 4.813 10.907 -1.786 1.00 0.41 O ATOM 301 C2' DG A 10 4.168 8.705 -2.582 1.00 0.33 C ATOM 302 C1' DG A 10 3.351 7.998 -1.510 1.00 0.38 C ATOM 303 N9 DG A 10 2.931 6.635 -1.877 1.00 0.35 N ATOM 304 C8 DG A 10 2.098 6.242 -2.892 1.00 0.35 C ATOM 305 N7 DG A 10 1.923 4.954 -2.964 1.00 0.34 N ATOM 306 C5 DG A 10 2.692 4.451 -1.920 1.00 0.35 C ATOM 307 C6 DG A 10 2.893 3.109 -1.505 1.00 0.37 C ATOM 308 O6 DG A 10 2.419 2.083 -1.989 1.00 0.39 O ATOM 309 N1 DG A 10 3.743 3.038 -0.409 1.00 0.38 N ATOM 310 C2 DG A 10 4.329 4.122 0.211 1.00 0.39 C ATOM 311 N2 DG A 10 5.118 3.854 1.251 1.00 0.42 N ATOM 312 N3 DG A 10 4.141 5.387 -0.181 1.00 0.37 N ATOM 313 C4 DG A 10 3.313 5.475 -1.248 1.00 0.35 C ATOM 0 H5' DG A 10 0.483 10.807 -1.383 1.00 0.37 H new ATOM 0 H5'' DG A 10 1.565 11.962 -2.134 1.00 0.37 H new ATOM 0 H4' DG A 10 2.782 10.643 -0.570 1.00 0.40 H new ATOM 0 H3' DG A 10 3.547 10.647 -3.376 1.00 0.37 H new ATOM 0 H2' DG A 10 3.937 8.330 -3.579 1.00 0.33 H new ATOM 0 H2'' DG A 10 5.239 8.567 -2.430 1.00 0.33 H new ATOM 0 H1' DG A 10 3.975 7.905 -0.621 1.00 0.38 H new ATOM 0 H8 DG A 10 1.629 6.938 -3.571 1.00 0.35 H new ATOM 0 H1 DG A 10 3.950 2.113 -0.033 1.00 0.38 H new ATOM 0 H21 DG A 10 5.579 4.614 1.750 1.00 0.42 H new ATOM 0 H22 DG A 10 5.260 2.889 1.548 1.00 0.42 H new ATOM 325 P DT A 11 5.403 10.460 -0.354 1.00 0.45 P ATOM 326 OP1 DT A 11 6.722 11.108 -0.179 1.00 0.63 O ATOM 327 OP2 DT A 11 5.285 8.991 -0.237 1.00 0.80 O ATOM 328 O5' DT A 11 4.373 11.135 0.683 1.00 0.29 O ATOM 329 C5' DT A 11 4.584 11.013 2.093 1.00 0.37 C ATOM 330 C4' DT A 11 4.041 12.221 2.850 1.00 0.43 C ATOM 331 O4' DT A 11 4.674 13.409 2.375 1.00 0.37 O ATOM 332 C3' DT A 11 2.529 12.425 2.701 1.00 0.56 C ATOM 333 O3' DT A 11 1.915 12.369 3.993 1.00 0.44 O ATOM 334 C2' DT A 11 2.375 13.830 2.118 1.00 0.75 C ATOM 335 C1' DT A 11 3.720 14.461 2.437 1.00 0.53 C ATOM 336 N1 DT A 11 4.142 15.510 1.490 1.00 0.42 N ATOM 337 C2 DT A 11 3.814 16.816 1.802 1.00 0.91 C ATOM 338 O2 DT A 11 3.193 17.110 2.821 1.00 1.49 O ATOM 339 N3 DT A 11 4.226 17.778 0.896 1.00 0.79 N ATOM 340 C4 DT A 11 4.927 17.547 -0.275 1.00 0.38 C ATOM 341 O4 DT A 11 5.245 18.480 -1.010 1.00 0.44 O ATOM 342 C5 DT A 11 5.225 16.153 -0.516 1.00 0.66 C ATOM 343 C7 DT A 11 5.994 15.757 -1.772 1.00 1.38 C ATOM 344 C6 DT A 11 4.834 15.198 0.352 1.00 0.54 C ATOM 0 H5' DT A 11 5.650 10.906 2.294 1.00 0.37 H new ATOM 0 H5'' DT A 11 4.099 10.107 2.457 1.00 0.37 H new ATOM 0 H4' DT A 11 4.253 12.024 3.901 1.00 0.43 H new ATOM 0 H3' DT A 11 2.065 11.666 2.072 1.00 0.56 H new ATOM 0 H2' DT A 11 2.181 13.806 1.046 1.00 0.75 H new ATOM 0 H2'' DT A 11 1.551 14.374 2.579 1.00 0.75 H new ATOM 0 H1' DT A 11 3.642 14.944 3.411 1.00 0.53 H new ATOM 0 H3 DT A 11 3.991 18.747 1.111 1.00 0.79 H new ATOM 0 H71 DT A 11 6.578 14.858 -1.573 1.00 1.38 H new ATOM 0 H72 DT A 11 5.292 15.561 -2.582 1.00 1.38 H new ATOM 0 H73 DT A 11 6.663 16.568 -2.060 1.00 1.38 H new ATOM 0 H6 DT A 11 5.072 14.165 0.144 1.00 0.54 H new ATOM 357 P DG A 12 0.458 13.010 4.237 1.00 0.38 P ATOM 358 OP1 DG A 12 -0.367 12.756 3.034 1.00 0.52 O ATOM 359 OP2 DG A 12 0.638 14.394 4.729 1.00 0.49 O ATOM 360 O5' DG A 12 -0.125 12.118 5.444 1.00 0.22 O ATOM 361 C5' DG A 12 -0.766 10.868 5.179 1.00 0.27 C ATOM 362 C4' DG A 12 0.067 9.687 5.673 1.00 0.24 C ATOM 363 O4' DG A 12 -0.630 8.469 5.405 1.00 0.31 O ATOM 364 C3' DG A 12 1.446 9.580 5.011 1.00 0.21 C ATOM 365 O3' DG A 12 2.456 9.509 6.022 1.00 0.19 O ATOM 366 C2' DG A 12 1.402 8.266 4.234 1.00 0.23 C ATOM 367 C1' DG A 12 0.317 7.500 4.970 1.00 0.23 C ATOM 368 N9 DG A 12 -0.398 6.515 4.137 1.00 0.26 N ATOM 369 C8 DG A 12 -1.212 6.737 3.057 1.00 0.30 C ATOM 370 N7 DG A 12 -1.703 5.649 2.532 1.00 0.31 N ATOM 371 C5 DG A 12 -1.177 4.631 3.320 1.00 0.27 C ATOM 372 C6 DG A 12 -1.359 3.225 3.229 1.00 0.27 C ATOM 373 O6 DG A 12 -2.034 2.594 2.419 1.00 0.30 O ATOM 374 N1 DG A 12 -0.650 2.555 4.217 1.00 0.25 N ATOM 375 C2 DG A 12 0.136 3.159 5.176 1.00 0.23 C ATOM 376 N2 DG A 12 0.740 2.345 6.043 1.00 0.26 N ATOM 377 N3 DG A 12 0.308 4.482 5.264 1.00 0.23 N ATOM 378 C4 DG A 12 -0.376 5.152 4.306 1.00 0.25 C ATOM 0 H5' DG A 12 -0.938 10.768 4.107 1.00 0.27 H new ATOM 0 H5'' DG A 12 -1.743 10.851 5.662 1.00 0.27 H new ATOM 0 H4' DG A 12 0.218 9.856 6.739 1.00 0.24 H new ATOM 0 H3' DG A 12 1.672 10.433 4.372 1.00 0.21 H new ATOM 0 H2' DG A 12 1.152 8.421 3.184 1.00 0.23 H new ATOM 0 H2'' DG A 12 2.359 7.744 4.260 1.00 0.23 H new ATOM 0 H1' DG A 12 0.789 6.939 5.776 1.00 0.23 H new ATOM 0 H8 DG A 12 -1.427 7.724 2.675 1.00 0.30 H new ATOM 0 H1 DG A 12 -0.715 1.537 4.235 1.00 0.25 H new ATOM 0 H21 DG A 12 1.335 2.731 6.776 1.00 0.26 H new ATOM 0 H22 DG A 12 0.607 1.336 5.973 1.00 0.26 H new ATOM 390 P DG A 13 4.005 9.330 5.616 1.00 0.15 P ATOM 391 OP1 DG A 13 4.830 10.079 6.590 1.00 0.23 O ATOM 392 OP2 DG A 13 4.138 9.610 4.169 1.00 0.15 O ATOM 393 O5' DG A 13 4.255 7.757 5.848 1.00 0.16 O ATOM 394 C5' DG A 13 4.422 7.235 7.171 1.00 0.22 C ATOM 395 C4' DG A 13 4.976 5.812 7.146 1.00 0.24 C ATOM 396 O4' DG A 13 4.057 4.951 6.465 1.00 0.27 O ATOM 397 C3' DG A 13 6.329 5.689 6.439 1.00 0.27 C ATOM 398 O3' DG A 13 7.228 4.931 7.257 1.00 0.34 O ATOM 399 C2' DG A 13 6.022 4.923 5.158 1.00 0.36 C ATOM 400 C1' DG A 13 4.789 4.130 5.555 1.00 0.25 C ATOM 401 N9 DG A 13 3.893 3.805 4.430 1.00 0.22 N ATOM 402 C8 DG A 13 3.287 4.661 3.549 1.00 0.25 C ATOM 403 N7 DG A 13 2.536 4.069 2.667 1.00 0.28 N ATOM 404 C5 DG A 13 2.647 2.720 2.981 1.00 0.26 C ATOM 405 C6 DG A 13 2.047 1.591 2.361 1.00 0.29 C ATOM 406 O6 DG A 13 1.282 1.568 1.398 1.00 0.34 O ATOM 407 N1 DG A 13 2.421 0.409 2.985 1.00 0.27 N ATOM 408 C2 DG A 13 3.267 0.321 4.072 1.00 0.25 C ATOM 409 N2 DG A 13 3.513 -0.905 4.533 1.00 0.27 N ATOM 410 N3 DG A 13 3.833 1.384 4.658 1.00 0.22 N ATOM 411 C4 DG A 13 3.478 2.547 4.060 1.00 0.22 C ATOM 0 H5' DG A 13 3.464 7.244 7.690 1.00 0.22 H new ATOM 0 H5'' DG A 13 5.097 7.879 7.735 1.00 0.22 H new ATOM 0 H4' DG A 13 5.113 5.529 8.190 1.00 0.24 H new ATOM 0 H3' DG A 13 6.794 6.656 6.244 1.00 0.27 H new ATOM 0 H2' DG A 13 5.825 5.591 4.320 1.00 0.36 H new ATOM 0 H2'' DG A 13 6.847 4.275 4.862 1.00 0.36 H new ATOM 0 H1' DG A 13 5.123 3.181 5.974 1.00 0.25 H new ATOM 0 H8 DG A 13 3.421 5.732 3.583 1.00 0.25 H new ATOM 0 H1 DG A 13 2.042 -0.461 2.612 1.00 0.27 H new ATOM 0 H21 DG A 13 4.131 -1.034 5.334 1.00 0.27 H new ATOM 0 H22 DG A 13 3.084 -1.714 4.084 1.00 0.27 H new ATOM 423 P DG A 14 8.742 4.660 6.780 1.00 0.40 P ATOM 424 OP1 DG A 14 9.651 5.012 7.894 1.00 0.51 O ATOM 425 OP2 DG A 14 8.929 5.284 5.451 1.00 0.42 O ATOM 426 O5' DG A 14 8.770 3.061 6.595 1.00 0.40 O ATOM 427 C5' DG A 14 8.600 2.200 7.725 1.00 0.41 C ATOM 428 C4' DG A 14 8.536 0.732 7.313 1.00 0.34 C ATOM 429 O4' DG A 14 7.493 0.546 6.348 1.00 0.30 O ATOM 430 C3' DG A 14 9.827 0.204 6.684 1.00 0.35 C ATOM 431 O3' DG A 14 10.072 -1.129 7.145 1.00 0.35 O ATOM 432 C2' DG A 14 9.517 0.182 5.196 1.00 0.35 C ATOM 433 C1' DG A 14 8.035 -0.140 5.220 1.00 0.30 C ATOM 434 N9 DG A 14 7.294 0.298 4.023 1.00 0.25 N ATOM 435 C8 DG A 14 7.111 1.567 3.543 1.00 0.28 C ATOM 436 N7 DG A 14 6.379 1.627 2.466 1.00 0.25 N ATOM 437 C5 DG A 14 6.052 0.299 2.211 1.00 0.19 C ATOM 438 C6 DG A 14 5.271 -0.261 1.163 1.00 0.19 C ATOM 439 O6 DG A 14 4.702 0.319 0.241 1.00 0.21 O ATOM 440 N1 DG A 14 5.189 -1.643 1.272 1.00 0.21 N ATOM 441 C2 DG A 14 5.785 -2.394 2.266 1.00 0.20 C ATOM 442 N2 DG A 14 5.598 -3.713 2.206 1.00 0.25 N ATOM 443 N3 DG A 14 6.519 -1.868 3.250 1.00 0.18 N ATOM 444 C4 DG A 14 6.609 -0.522 3.159 1.00 0.19 C ATOM 0 H5' DG A 14 7.686 2.470 8.253 1.00 0.41 H new ATOM 0 H5'' DG A 14 9.426 2.347 8.421 1.00 0.41 H new ATOM 0 H4' DG A 14 8.357 0.180 8.236 1.00 0.34 H new ATOM 0 H3' DG A 14 10.703 0.804 6.930 1.00 0.35 H new ATOM 0 H2' DG A 14 9.724 1.139 4.716 1.00 0.35 H new ATOM 0 H2'' DG A 14 10.096 -0.573 4.664 1.00 0.35 H new ATOM 0 H1' DG A 14 7.931 -1.224 5.261 1.00 0.30 H new ATOM 0 H8 DG A 14 7.535 2.441 4.015 1.00 0.28 H new ATOM 0 H1 DG A 14 4.648 -2.141 0.565 1.00 0.21 H new ATOM 0 H21 DG A 14 6.014 -4.320 2.913 1.00 0.25 H new ATOM 0 H22 DG A 14 5.039 -4.115 1.453 1.00 0.25 H new ATOM 456 P DT A 15 10.271 -1.434 8.715 1.00 0.38 P ATOM 457 OP1 DT A 15 11.267 -0.478 9.248 1.00 0.45 O ATOM 458 OP2 DT A 15 10.483 -2.889 8.881 1.00 0.44 O ATOM 459 O5' DT A 15 8.832 -1.060 9.334 1.00 0.37 O ATOM 460 C5' DT A 15 7.754 -2.002 9.307 1.00 0.34 C ATOM 461 C4' DT A 15 7.694 -2.829 10.589 1.00 0.30 C ATOM 462 O4' DT A 15 8.792 -3.732 10.638 1.00 0.21 O ATOM 463 C3' DT A 15 7.759 -1.993 11.871 1.00 0.41 C ATOM 464 O3' DT A 15 6.491 -2.031 12.532 1.00 0.46 O ATOM 465 C2' DT A 15 8.819 -2.680 12.740 1.00 0.42 C ATOM 466 C1' DT A 15 9.046 -3.996 12.009 1.00 0.29 C ATOM 467 N1 DT A 15 10.418 -4.527 12.120 1.00 0.30 N ATOM 468 C2 DT A 15 11.005 -4.518 13.371 1.00 0.39 C ATOM 469 O2 DT A 15 10.425 -4.083 14.363 1.00 0.47 O ATOM 470 N3 DT A 15 12.289 -5.026 13.441 1.00 0.46 N ATOM 471 C4 DT A 15 13.023 -5.536 12.384 1.00 0.45 C ATOM 472 O4 DT A 15 14.161 -5.966 12.559 1.00 0.55 O ATOM 473 C5 DT A 15 12.327 -5.504 11.117 1.00 0.32 C ATOM 474 C7 DT A 15 13.019 -6.036 9.867 1.00 0.33 C ATOM 475 C6 DT A 15 11.075 -5.013 11.023 1.00 0.25 C ATOM 0 H5' DT A 15 7.873 -2.666 8.451 1.00 0.34 H new ATOM 0 H5'' DT A 15 6.811 -1.472 9.171 1.00 0.34 H new ATOM 0 H4' DT A 15 6.731 -3.339 10.553 1.00 0.30 H new ATOM 0 H3' DT A 15 8.002 -0.949 11.675 1.00 0.41 H new ATOM 0 H2' DT A 15 9.733 -2.090 12.806 1.00 0.42 H new ATOM 0 H2'' DT A 15 8.467 -2.838 13.759 1.00 0.42 H new ATOM 0 H1' DT A 15 8.393 -4.746 12.455 1.00 0.29 H new ATOM 0 H3 DT A 15 12.737 -5.025 14.357 1.00 0.46 H new ATOM 0 H71 DT A 15 12.273 -6.432 9.179 1.00 0.33 H new ATOM 0 H72 DT A 15 13.567 -5.228 9.382 1.00 0.33 H new ATOM 0 H73 DT A 15 13.713 -6.829 10.145 1.00 0.33 H new ATOM 0 H6 DT A 15 10.581 -5.003 10.063 1.00 0.25 H new ATOM 488 P DG A 16 5.843 -3.432 12.993 1.00 0.41 P ATOM 489 OP1 DG A 16 4.751 -3.142 13.948 1.00 0.53 O ATOM 490 OP2 DG A 16 6.938 -4.345 13.384 1.00 0.45 O ATOM 491 O5' DG A 16 5.185 -3.986 11.632 1.00 0.23 O ATOM 492 C5' DG A 16 4.055 -3.330 11.048 1.00 0.22 C ATOM 493 C4' DG A 16 3.390 -4.201 9.986 1.00 0.18 C ATOM 494 O4' DG A 16 2.306 -3.485 9.382 1.00 0.24 O ATOM 495 C3' DG A 16 4.333 -4.630 8.857 1.00 0.21 C ATOM 496 O3' DG A 16 4.245 -6.049 8.680 1.00 0.21 O ATOM 497 C2' DG A 16 3.792 -3.920 7.621 1.00 0.20 C ATOM 498 C1' DG A 16 2.329 -3.757 7.986 1.00 0.20 C ATOM 499 N9 DG A 16 1.646 -2.650 7.288 1.00 0.21 N ATOM 500 C8 DG A 16 1.772 -1.299 7.489 1.00 0.22 C ATOM 501 N7 DG A 16 1.032 -0.574 6.697 1.00 0.23 N ATOM 502 C5 DG A 16 0.364 -1.511 5.914 1.00 0.23 C ATOM 503 C6 DG A 16 -0.583 -1.316 4.870 1.00 0.27 C ATOM 504 O6 DG A 16 -1.023 -0.258 4.428 1.00 0.29 O ATOM 505 N1 DG A 16 -1.012 -2.524 4.339 1.00 0.29 N ATOM 506 C2 DG A 16 -0.588 -3.768 4.757 1.00 0.28 C ATOM 507 N2 DG A 16 -1.116 -4.816 4.124 1.00 0.33 N ATOM 508 N3 DG A 16 0.302 -3.953 5.738 1.00 0.25 N ATOM 509 C4 DG A 16 0.733 -2.784 6.268 1.00 0.22 C ATOM 0 H5' DG A 16 4.371 -2.387 10.601 1.00 0.22 H new ATOM 0 H5'' DG A 16 3.332 -3.087 11.826 1.00 0.22 H new ATOM 0 H4' DG A 16 3.056 -5.097 10.510 1.00 0.18 H new ATOM 0 H3' DG A 16 5.376 -4.383 9.057 1.00 0.21 H new ATOM 0 H2' DG A 16 4.282 -2.961 7.451 1.00 0.20 H new ATOM 0 H2'' DG A 16 3.926 -4.512 6.716 1.00 0.20 H new ATOM 0 H1' DG A 16 1.800 -4.664 7.694 1.00 0.20 H new ATOM 0 H8 DG A 16 2.426 -0.874 8.236 1.00 0.22 H new ATOM 0 H1 DG A 16 -1.694 -2.489 3.581 1.00 0.29 H new ATOM 0 H21 DG A 16 -0.842 -5.762 4.388 1.00 0.33 H new ATOM 0 H22 DG A 16 -1.794 -4.671 3.376 1.00 0.33 H new ATOM 521 P DG A 17 5.207 -6.809 7.636 1.00 0.25 P ATOM 522 OP1 DG A 17 6.222 -7.566 8.403 1.00 0.33 O ATOM 523 OP2 DG A 17 5.638 -5.833 6.609 1.00 0.30 O ATOM 524 O5' DG A 17 4.208 -7.864 6.941 1.00 0.27 O ATOM 525 C5' DG A 17 3.086 -7.399 6.190 1.00 0.19 C ATOM 526 C4' DG A 17 2.847 -8.246 4.944 1.00 0.20 C ATOM 527 O4' DG A 17 1.964 -7.550 4.063 1.00 0.20 O ATOM 528 C3' DG A 17 4.107 -8.544 4.146 1.00 0.23 C ATOM 529 O3' DG A 17 3.952 -9.779 3.441 1.00 0.29 O ATOM 530 C2' DG A 17 4.183 -7.389 3.162 1.00 0.20 C ATOM 531 C1' DG A 17 2.709 -7.055 2.938 1.00 0.18 C ATOM 532 N9 DG A 17 2.434 -5.608 2.818 1.00 0.18 N ATOM 533 C8 DG A 17 2.990 -4.561 3.512 1.00 0.21 C ATOM 534 N7 DG A 17 2.539 -3.392 3.157 1.00 0.24 N ATOM 535 C5 DG A 17 1.618 -3.677 2.157 1.00 0.24 C ATOM 536 C6 DG A 17 0.807 -2.797 1.391 1.00 0.28 C ATOM 537 O6 DG A 17 0.748 -1.571 1.450 1.00 0.31 O ATOM 538 N1 DG A 17 0.015 -3.493 0.486 1.00 0.28 N ATOM 539 C2 DG A 17 0.004 -4.864 0.336 1.00 0.26 C ATOM 540 N2 DG A 17 -0.825 -5.352 -0.587 1.00 0.28 N ATOM 541 N3 DG A 17 0.767 -5.693 1.055 1.00 0.22 N ATOM 542 C4 DG A 17 1.545 -5.032 1.942 1.00 0.20 C ATOM 0 H5' DG A 17 3.249 -6.361 5.898 1.00 0.19 H new ATOM 0 H5'' DG A 17 2.195 -7.417 6.818 1.00 0.19 H new ATOM 0 H4' DG A 17 2.438 -9.189 5.306 1.00 0.20 H new ATOM 0 H3' DG A 17 4.999 -8.637 4.765 1.00 0.23 H new ATOM 0 H2' DG A 17 4.734 -6.542 3.571 1.00 0.20 H new ATOM 0 H2'' DG A 17 4.680 -7.676 2.236 1.00 0.20 H new ATOM 0 H1' DG A 17 2.419 -7.518 1.995 1.00 0.18 H new ATOM 0 H8 DG A 17 3.734 -4.695 4.283 1.00 0.21 H new ATOM 0 H1 DG A 17 -0.606 -2.949 -0.113 1.00 0.28 H new ATOM 0 H21 DG A 17 -0.878 -6.358 -0.744 1.00 0.28 H new ATOM 0 H22 DG A 17 -1.407 -4.719 -1.136 1.00 0.28 H new ATOM 554 P DG A 18 5.012 -10.213 2.308 1.00 0.35 P ATOM 555 OP1 DG A 18 5.021 -11.690 2.220 1.00 0.46 O ATOM 556 OP2 DG A 18 6.275 -9.482 2.553 1.00 0.40 O ATOM 557 O5' DG A 18 4.347 -9.632 0.962 1.00 0.34 O ATOM 558 C5' DG A 18 3.173 -10.237 0.414 1.00 0.38 C ATOM 559 C4' DG A 18 2.769 -9.585 -0.905 1.00 0.38 C ATOM 560 O4' DG A 18 2.491 -8.200 -0.688 1.00 0.37 O ATOM 561 C3' DG A 18 3.846 -9.669 -1.993 1.00 0.39 C ATOM 562 O3' DG A 18 3.288 -10.260 -3.171 1.00 0.51 O ATOM 563 C2' DG A 18 4.228 -8.219 -2.276 1.00 0.30 C ATOM 564 C1' DG A 18 3.001 -7.465 -1.794 1.00 0.29 C ATOM 565 N9 DG A 18 3.280 -6.093 -1.333 1.00 0.22 N ATOM 566 C8 DG A 18 4.087 -5.685 -0.305 1.00 0.20 C ATOM 567 N7 DG A 18 4.130 -4.393 -0.148 1.00 0.20 N ATOM 568 C5 DG A 18 3.293 -3.906 -1.144 1.00 0.22 C ATOM 569 C6 DG A 18 2.947 -2.566 -1.465 1.00 0.27 C ATOM 570 O6 DG A 18 3.325 -1.532 -0.919 1.00 0.31 O ATOM 571 N1 DG A 18 2.071 -2.510 -2.541 1.00 0.31 N ATOM 572 C2 DG A 18 1.587 -3.607 -3.225 1.00 0.32 C ATOM 573 N2 DG A 18 0.754 -3.354 -4.235 1.00 0.39 N ATOM 574 N3 DG A 18 1.912 -4.868 -2.923 1.00 0.29 N ATOM 575 C4 DG A 18 2.766 -4.940 -1.876 1.00 0.23 C ATOM 0 H5' DG A 18 2.353 -10.154 1.128 1.00 0.38 H new ATOM 0 H5'' DG A 18 3.351 -11.301 0.255 1.00 0.38 H new ATOM 0 H4' DG A 18 1.895 -10.136 -1.252 1.00 0.38 H new ATOM 0 H3' DG A 18 4.702 -10.271 -1.689 1.00 0.39 H new ATOM 0 H2' DG A 18 5.127 -7.922 -1.736 1.00 0.30 H new ATOM 0 H2'' DG A 18 4.421 -8.048 -3.335 1.00 0.30 H new ATOM 0 H1' DG A 18 2.309 -7.376 -2.631 1.00 0.29 H new ATOM 0 H8 DG A 18 4.638 -6.373 0.319 1.00 0.20 H new ATOM 0 H1 DG A 18 1.762 -1.588 -2.849 1.00 0.31 H new ATOM 0 H21 DG A 18 0.363 -4.123 -4.779 1.00 0.39 H new ATOM 0 H22 DG A 18 0.508 -2.391 -4.464 1.00 0.39 H new ATOM 587 P DT A 19 2.045 -9.568 -3.926 1.00 0.55 P ATOM 588 OP1 DT A 19 1.161 -8.964 -2.904 1.00 0.57 O ATOM 589 OP2 DT A 19 1.492 -10.542 -4.895 1.00 0.71 O ATOM 590 O5' DT A 19 2.746 -8.379 -4.752 1.00 0.42 O ATOM 591 C5' DT A 19 3.600 -8.669 -5.864 1.00 0.40 C ATOM 592 C4' DT A 19 3.743 -7.466 -6.792 1.00 0.27 C ATOM 593 O4' DT A 19 4.342 -6.377 -6.077 1.00 0.15 O ATOM 594 C3' DT A 19 4.612 -7.731 -8.024 1.00 0.24 C ATOM 595 O3' DT A 19 4.038 -7.145 -9.198 1.00 0.25 O ATOM 596 C2' DT A 19 5.932 -7.066 -7.668 1.00 0.21 C ATOM 597 C1' DT A 19 5.445 -5.891 -6.840 1.00 0.17 C ATOM 598 N1 DT A 19 6.446 -5.345 -5.902 1.00 0.34 N ATOM 599 C2 DT A 19 6.853 -4.039 -6.099 1.00 0.50 C ATOM 600 O2 DT A 19 6.412 -3.348 -7.016 1.00 0.56 O ATOM 601 N3 DT A 19 7.788 -3.552 -5.205 1.00 0.65 N ATOM 602 C4 DT A 19 8.343 -4.250 -4.146 1.00 0.68 C ATOM 603 O4 DT A 19 9.170 -3.717 -3.409 1.00 0.84 O ATOM 604 C5 DT A 19 7.857 -5.605 -4.017 1.00 0.54 C ATOM 605 C7 DT A 19 8.385 -6.487 -2.891 1.00 0.64 C ATOM 606 C6 DT A 19 6.946 -6.102 -4.877 1.00 0.39 C ATOM 0 H5' DT A 19 3.197 -9.514 -6.422 1.00 0.40 H new ATOM 0 H5'' DT A 19 4.583 -8.967 -5.500 1.00 0.40 H new ATOM 0 H4' DT A 19 2.734 -7.237 -7.134 1.00 0.27 H new ATOM 0 H3' DT A 19 4.716 -8.792 -8.252 1.00 0.24 H new ATOM 0 H2' DT A 19 6.588 -7.727 -7.102 1.00 0.21 H new ATOM 0 H2'' DT A 19 6.486 -6.748 -8.551 1.00 0.21 H new ATOM 0 HO3' DT A 19 4.614 -7.328 -9.970 1.00 0.25 H new ATOM 0 H1' DT A 19 5.199 -5.077 -7.522 1.00 0.17 H new ATOM 0 H3 DT A 19 8.098 -2.589 -5.338 1.00 0.65 H new ATOM 0 H71 DT A 19 7.615 -7.200 -2.596 1.00 0.64 H new ATOM 0 H72 DT A 19 9.267 -7.027 -3.235 1.00 0.64 H new ATOM 0 H73 DT A 19 8.651 -5.865 -2.036 1.00 0.64 H new ATOM 0 H6 DT A 19 6.603 -7.119 -4.755 1.00 0.39 H new TER 620 DT A 19