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 16:sc= 0.961 USER MOD Single : A 2 DT C7 :methyl 150:sc= -2.84 (180deg=-2.84) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.077 (180deg=-0.077) 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= 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ATOM 171 C1' DG A 6 -1.949 0.608 -8.274 1.00 0.21 C ATOM 172 N9 DG A 6 -1.038 0.130 -7.218 1.00 0.20 N ATOM 173 C8 DG A 6 -0.629 -1.150 -6.953 1.00 0.22 C ATOM 174 N7 DG A 6 0.172 -1.248 -5.929 1.00 0.22 N ATOM 175 C5 DG A 6 0.305 0.061 -5.481 1.00 0.20 C ATOM 176 C6 DG A 6 1.056 0.577 -4.391 1.00 0.22 C ATOM 177 O6 DG A 6 1.761 -0.037 -3.591 1.00 0.24 O ATOM 178 N1 DG A 6 0.919 1.955 -4.285 1.00 0.21 N ATOM 179 C2 DG A 6 0.152 2.740 -5.123 1.00 0.21 C ATOM 180 N2 DG A 6 0.144 4.047 -4.866 1.00 0.23 N ATOM 181 N3 DG A 6 -0.556 2.255 -6.147 1.00 0.20 N ATOM 182 C4 DG A 6 -0.433 0.913 -6.265 1.00 0.20 C ATOM 0 H5' DG A 6 -5.306 -1.542 -8.428 1.00 0.21 H new ATOM 0 H5'' DG A 6 -5.186 -1.551 -10.177 1.00 0.21 H new ATOM 0 H4' DG A 6 -4.778 0.650 -9.331 1.00 0.19 H new ATOM 0 H3' DG A 6 -3.054 -0.536 -11.168 1.00 0.24 H new ATOM 0 H2' DG A 6 -1.193 -0.891 -9.659 1.00 0.25 H new ATOM 0 H2'' DG A 6 -0.865 0.757 -10.156 1.00 0.25 H new ATOM 0 H1' DG A 6 -1.877 1.696 -8.273 1.00 0.21 H new ATOM 0 H8 DG A 6 -0.942 -2.001 -7.539 1.00 0.22 H new ATOM 0 H1 DG A 6 1.423 2.422 -3.531 1.00 0.21 H new ATOM 0 H21 DG A 6 -0.404 4.678 -5.450 1.00 0.23 H new ATOM 0 H22 DG A 6 0.686 4.416 -4.085 1.00 0.23 H new ATOM 194 P DT A 7 -4.552 1.871 -11.621 1.00 0.32 P ATOM 195 OP1 DT A 7 -4.975 0.718 -12.447 1.00 0.52 O ATOM 196 OP2 DT A 7 -4.399 3.206 -12.241 1.00 0.38 O ATOM 197 O5' DT A 7 -5.572 2.004 -10.383 1.00 0.34 O ATOM 198 C5' DT A 7 -6.720 2.852 -10.478 1.00 0.34 C ATOM 199 C4' DT A 7 -8.014 2.076 -10.248 1.00 0.32 C ATOM 200 O4' DT A 7 -8.138 1.045 -11.231 1.00 0.24 O ATOM 201 C3' DT A 7 -8.101 1.405 -8.872 1.00 0.33 C ATOM 202 O3' DT A 7 -9.350 1.742 -8.259 1.00 0.43 O ATOM 203 C2' DT A 7 -8.066 -0.089 -9.175 1.00 0.31 C ATOM 204 C1' DT A 7 -8.627 -0.125 -10.584 1.00 0.23 C ATOM 205 N1 DT A 7 -8.207 -1.293 -11.380 1.00 0.18 N ATOM 206 C2 DT A 7 -9.023 -2.408 -11.351 1.00 0.29 C ATOM 207 O2 DT A 7 -10.056 -2.445 -10.687 1.00 0.37 O ATOM 208 N3 DT A 7 -8.607 -3.484 -12.113 1.00 0.29 N ATOM 209 C4 DT A 7 -7.463 -3.538 -12.891 1.00 0.24 C ATOM 210 O4 DT A 7 -7.187 -4.550 -13.532 1.00 0.32 O ATOM 211 C5 DT A 7 -6.674 -2.327 -12.859 1.00 0.17 C ATOM 212 C7 DT A 7 -5.387 -2.249 -13.674 1.00 0.23 C ATOM 213 C6 DT A 7 -7.059 -1.265 -12.124 1.00 0.12 C ATOM 0 H5' DT A 7 -6.746 3.320 -11.462 1.00 0.34 H new ATOM 0 H5'' DT A 7 -6.642 3.655 -9.745 1.00 0.34 H new ATOM 0 H4' DT A 7 -8.813 2.814 -10.315 1.00 0.32 H new ATOM 0 H3' DT A 7 -7.302 1.714 -8.199 1.00 0.33 H new ATOM 0 H2' DT A 7 -7.055 -0.494 -9.125 1.00 0.31 H new ATOM 0 H2'' DT A 7 -8.674 -0.664 -8.476 1.00 0.31 H new ATOM 0 H1' DT A 7 -9.713 -0.183 -10.513 1.00 0.23 H new ATOM 0 H3 DT A 7 -9.198 -4.315 -12.101 1.00 0.29 H new ATOM 0 H71 DT A 7 -5.211 -1.217 -13.978 1.00 0.23 H new ATOM 0 H72 DT A 7 -4.551 -2.597 -13.068 1.00 0.23 H new ATOM 0 H73 DT A 7 -5.479 -2.878 -14.560 1.00 0.23 H new ATOM 0 H6 DT A 7 -6.449 -0.374 -12.122 1.00 0.12 H new ATOM 226 P DG A 8 -9.668 1.290 -6.747 1.00 0.45 P ATOM 227 OP1 DG A 8 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0.21 N ATOM 247 C4 DG A 8 -5.474 3.421 -1.411 1.00 0.21 C ATOM 0 H5' DG A 8 -10.406 3.561 -5.076 1.00 0.28 H new ATOM 0 H5'' DG A 8 -9.750 4.140 -6.595 1.00 0.28 H new ATOM 0 H4' DG A 8 -9.083 5.539 -4.739 1.00 0.21 H new ATOM 0 H3' DG A 8 -7.227 4.498 -6.640 1.00 0.21 H new ATOM 0 H2' DG A 8 -5.785 3.390 -5.102 1.00 0.27 H new ATOM 0 H2'' DG A 8 -5.252 5.020 -4.744 1.00 0.27 H new ATOM 0 H1' DG A 8 -6.623 5.233 -2.882 1.00 0.22 H new ATOM 0 H8 DG A 8 -6.993 1.405 -3.413 1.00 0.24 H new ATOM 0 H1 DG A 8 -3.406 3.279 1.571 1.00 0.23 H new ATOM 0 H21 DG A 8 -4.020 6.496 0.407 1.00 0.21 H new ATOM 0 H22 DG A 8 -3.243 5.465 1.613 1.00 0.21 H new ATOM 259 P DG A 9 -5.884 6.973 -6.609 1.00 0.28 P ATOM 260 OP1 DG A 9 -6.336 8.258 -7.187 1.00 0.37 O ATOM 261 OP2 DG A 9 -5.344 5.916 -7.492 1.00 0.35 O ATOM 262 O5' DG A 9 -4.786 7.290 -5.474 1.00 0.21 O ATOM 263 C5' DG A 9 -4.938 8.421 -4.612 1.00 0.19 C ATOM 264 C4' DG A 9 -3.685 8.660 -3.775 1.00 0.17 C ATOM 265 O4' DG A 9 -3.438 7.519 -2.949 1.00 0.20 O ATOM 266 C3' DG A 9 -2.422 8.903 -4.608 1.00 0.20 C ATOM 267 O3' DG A 9 -1.802 10.124 -4.188 1.00 0.23 O ATOM 268 C2' DG A 9 -1.509 7.723 -4.287 1.00 0.21 C ATOM 269 C1' DG A 9 -2.036 7.275 -2.934 1.00 0.21 C ATOM 270 N9 DG A 9 -1.834 5.842 -2.652 1.00 0.22 N ATOM 271 C8 DG A 9 -2.358 4.758 -3.307 1.00 0.26 C ATOM 272 N7 DG A 9 -1.991 3.611 -2.810 1.00 0.28 N ATOM 273 C5 DG A 9 -1.163 3.956 -1.747 1.00 0.25 C ATOM 274 C6 DG A 9 -0.466 3.123 -0.830 1.00 0.26 C ATOM 275 O6 DG A 9 -0.446 1.895 -0.778 1.00 0.30 O ATOM 276 N1 DG A 9 0.258 3.872 0.089 1.00 0.23 N ATOM 277 C2 DG A 9 0.306 5.251 0.122 1.00 0.20 C ATOM 278 N2 DG A 9 1.059 5.792 1.080 1.00 0.20 N ATOM 279 N3 DG A 9 -0.349 6.035 -0.739 1.00 0.20 N ATOM 280 C4 DG A 9 -1.060 5.320 -1.643 1.00 0.21 C ATOM 0 H5' DG A 9 -5.792 8.265 -3.953 1.00 0.19 H new ATOM 0 H5'' DG A 9 -5.153 9.308 -5.208 1.00 0.19 H new ATOM 0 H4' DG A 9 -3.884 9.560 -3.193 1.00 0.17 H new ATOM 0 H3' DG A 9 -2.633 8.984 -5.674 1.00 0.20 H new ATOM 0 H2' DG A 9 -1.583 6.934 -5.035 1.00 0.21 H new ATOM 0 H2'' DG A 9 -0.461 8.019 -4.239 1.00 0.21 H new ATOM 0 H1' DG A 9 -1.492 7.823 -2.165 1.00 0.21 H new ATOM 0 H8 DG A 9 -3.016 4.847 -4.159 1.00 0.26 H new ATOM 0 H1 DG A 9 0.795 3.365 0.793 1.00 0.23 H new ATOM 0 H21 DG A 9 1.135 6.806 1.157 1.00 0.20 H new ATOM 0 H22 DG A 9 1.559 5.192 1.736 1.00 0.20 H new ATOM 292 P DG A 10 -0.405 10.595 -4.837 1.00 0.29 P ATOM 293 OP1 DG A 10 -0.410 12.071 -4.930 1.00 0.40 O ATOM 294 OP2 DG A 10 -0.160 9.781 -6.048 1.00 0.36 O ATOM 295 O5' DG A 10 0.667 10.164 -3.715 1.00 0.23 O ATOM 296 C5' DG A 10 0.722 10.853 -2.463 1.00 0.21 C ATOM 297 C4' DG A 10 1.870 10.349 -1.595 1.00 0.17 C ATOM 298 O4' DG A 10 1.704 8.950 -1.350 1.00 0.16 O ATOM 299 C3' DG A 10 3.254 10.542 -2.223 1.00 0.16 C ATOM 300 O3' DG A 10 4.110 11.220 -1.295 1.00 0.18 O ATOM 301 C2' DG A 10 3.773 9.128 -2.467 1.00 0.14 C ATOM 302 C1' DG A 10 2.977 8.321 -1.455 1.00 0.14 C ATOM 303 N9 DG A 10 2.750 6.918 -1.848 1.00 0.14 N ATOM 304 C8 DG A 10 2.034 6.435 -2.912 1.00 0.15 C ATOM 305 N7 DG A 10 2.010 5.135 -2.986 1.00 0.17 N ATOM 306 C5 DG A 10 2.765 4.722 -1.894 1.00 0.15 C ATOM 307 C6 DG A 10 3.090 3.410 -1.459 1.00 0.17 C ATOM 308 O6 DG A 10 2.764 2.336 -1.964 1.00 0.20 O ATOM 309 N1 DG A 10 3.874 3.433 -0.313 1.00 0.17 N ATOM 310 C2 DG A 10 4.293 4.577 0.336 1.00 0.16 C ATOM 311 N2 DG A 10 5.043 4.398 1.424 1.00 0.17 N ATOM 312 N3 DG A 10 3.987 5.813 -0.072 1.00 0.15 N ATOM 313 C4 DG A 10 3.223 5.808 -1.190 1.00 0.14 C ATOM 0 H5' DG A 10 -0.221 10.721 -1.933 1.00 0.21 H new ATOM 0 H5'' DG A 10 0.841 11.922 -2.640 1.00 0.21 H new ATOM 0 H4' DG A 10 1.831 10.940 -0.680 1.00 0.17 H new ATOM 0 H3' DG A 10 3.219 11.133 -3.138 1.00 0.16 H new ATOM 0 H2' DG A 10 3.589 8.796 -3.489 1.00 0.14 H new ATOM 0 H2'' DG A 10 4.847 9.052 -2.296 1.00 0.14 H new ATOM 0 H1' DG A 10 3.545 8.298 -0.525 1.00 0.14 H new ATOM 0 H8 DG A 10 1.535 7.075 -3.625 1.00 0.15 H new ATOM 0 H1 DG A 10 4.162 2.536 0.079 1.00 0.17 H new ATOM 0 H21 DG A 10 5.383 5.205 1.947 1.00 0.17 H new ATOM 0 H22 DG A 10 5.276 3.454 1.733 1.00 0.17 H new ATOM 325 P DT A 11 4.290 12.819 -1.371 1.00 0.21 P ATOM 326 OP1 DT A 11 3.293 13.352 -2.326 1.00 0.24 O ATOM 327 OP2 DT A 11 5.728 13.114 -1.566 1.00 0.23 O ATOM 328 O5' DT A 11 3.875 13.299 0.109 1.00 0.23 O ATOM 329 C5' DT A 11 2.540 13.117 0.583 1.00 0.21 C ATOM 330 C4' DT A 11 2.161 14.168 1.623 1.00 0.20 C ATOM 331 O4' DT A 11 2.269 15.472 1.051 1.00 0.25 O ATOM 332 C3' DT A 11 0.729 14.025 2.153 1.00 0.18 C ATOM 333 O3' DT A 11 0.764 13.859 3.574 1.00 0.25 O ATOM 334 C2' DT A 11 0.047 15.348 1.804 1.00 0.19 C ATOM 335 C1' DT A 11 1.235 16.274 1.606 1.00 0.19 C ATOM 336 N1 DT A 11 0.983 17.395 0.682 1.00 0.22 N ATOM 337 C2 DT A 11 0.466 18.558 1.220 1.00 0.15 C ATOM 338 O2 DT A 11 0.221 18.672 2.419 1.00 0.29 O ATOM 339 N3 DT A 11 0.242 19.591 0.328 1.00 0.19 N ATOM 340 C4 DT A 11 0.485 19.560 -1.034 1.00 0.36 C ATOM 341 O4 DT A 11 0.247 20.540 -1.737 1.00 0.43 O ATOM 342 C5 DT A 11 1.024 18.304 -1.504 1.00 0.52 C ATOM 343 C7 DT A 11 1.342 18.132 -2.986 1.00 0.81 C ATOM 344 C6 DT A 11 1.253 17.282 -0.654 1.00 0.45 C ATOM 0 H5' DT A 11 2.441 12.123 1.018 1.00 0.21 H new ATOM 0 H5'' DT A 11 1.846 13.169 -0.256 1.00 0.21 H new ATOM 0 H4' DT A 11 2.850 14.020 2.455 1.00 0.20 H new ATOM 0 H3' DT A 11 0.208 13.168 1.727 1.00 0.18 H new ATOM 0 H2' DT A 11 -0.562 15.268 0.904 1.00 0.19 H new ATOM 0 H2'' DT A 11 -0.609 15.692 2.603 1.00 0.19 H new ATOM 0 H1' DT A 11 1.480 16.723 2.569 1.00 0.19 H new ATOM 0 H3 DT A 11 -0.138 20.457 0.710 1.00 0.19 H new ATOM 0 H71 DT A 11 2.171 17.433 -3.102 1.00 0.81 H new ATOM 0 H72 DT A 11 0.465 17.744 -3.504 1.00 0.81 H new ATOM 0 H73 DT A 11 1.618 19.096 -3.413 1.00 0.81 H new ATOM 0 H6 DT A 11 1.658 16.356 -1.036 1.00 0.45 H new ATOM 357 P DG A 12 -0.472 13.171 4.343 1.00 0.28 P ATOM 358 OP1 DG A 12 -1.699 13.937 4.028 1.00 0.30 O ATOM 359 OP2 DG A 12 -0.076 12.954 5.753 1.00 0.40 O ATOM 360 O5' DG A 12 -0.573 11.736 3.619 1.00 0.33 O ATOM 361 C5' DG A 12 0.579 10.897 3.517 1.00 0.36 C ATOM 362 C4' DG A 12 0.801 10.082 4.788 1.00 0.29 C ATOM 363 O4' DG A 12 -0.245 9.114 4.918 1.00 0.25 O ATOM 364 C3' DG A 12 2.133 9.331 4.808 1.00 0.27 C ATOM 365 O3' DG A 12 2.783 9.540 6.065 1.00 0.26 O ATOM 366 C2' DG A 12 1.755 7.865 4.657 1.00 0.25 C ATOM 367 C1' DG A 12 0.330 7.835 5.187 1.00 0.23 C ATOM 368 N9 DG A 12 -0.521 6.822 4.539 1.00 0.24 N ATOM 369 C8 DG A 12 -1.463 6.998 3.561 1.00 0.27 C ATOM 370 N7 DG A 12 -2.031 5.893 3.166 1.00 0.27 N ATOM 371 C5 DG A 12 -1.420 4.910 3.940 1.00 0.24 C ATOM 372 C6 DG A 12 -1.628 3.504 3.954 1.00 0.24 C ATOM 373 O6 DG A 12 -2.405 2.841 3.269 1.00 0.27 O ATOM 374 N1 DG A 12 -0.808 2.877 4.882 1.00 0.23 N ATOM 375 C2 DG A 12 0.099 3.522 5.699 1.00 0.21 C ATOM 376 N2 DG A 12 0.798 2.750 6.531 1.00 0.22 N ATOM 377 N3 DG A 12 0.295 4.844 5.686 1.00 0.21 N ATOM 378 C4 DG A 12 -0.496 5.471 4.784 1.00 0.23 C ATOM 0 H5' DG A 12 1.459 11.510 3.320 1.00 0.36 H new ATOM 0 H5'' DG A 12 0.464 10.223 2.668 1.00 0.36 H new ATOM 0 H4' DG A 12 0.807 10.797 5.611 1.00 0.29 H new ATOM 0 H3' DG A 12 2.813 9.665 4.024 1.00 0.27 H new ATOM 0 H2' DG A 12 1.809 7.537 3.619 1.00 0.25 H new ATOM 0 H2'' DG A 12 2.415 7.215 5.231 1.00 0.25 H new ATOM 0 H1' DG A 12 0.377 7.588 6.248 1.00 0.23 H new ATOM 0 H8 DG A 12 -1.713 7.966 3.153 1.00 0.27 H new ATOM 0 H1 DG A 12 -0.881 1.863 4.967 1.00 0.23 H new ATOM 0 H21 DG A 12 1.484 3.168 7.160 1.00 0.22 H new ATOM 0 H22 DG A 12 0.647 1.741 6.539 1.00 0.22 H new ATOM 390 P DG A 13 4.384 9.417 6.178 1.00 0.31 P ATOM 391 OP1 DG A 13 4.810 10.032 7.455 1.00 0.34 O ATOM 392 OP2 DG A 13 4.974 9.883 4.904 1.00 0.44 O ATOM 393 O5' DG A 13 4.613 7.826 6.284 1.00 0.27 O ATOM 394 C5' DG A 13 4.585 7.171 7.555 1.00 0.26 C ATOM 395 C4' DG A 13 5.016 5.712 7.443 1.00 0.23 C ATOM 396 O4' DG A 13 4.074 4.994 6.645 1.00 0.23 O ATOM 397 C3' DG A 13 6.395 5.522 6.799 1.00 0.26 C ATOM 398 O3' DG A 13 7.228 4.759 7.677 1.00 0.35 O ATOM 399 C2' DG A 13 6.124 4.729 5.523 1.00 0.20 C ATOM 400 C1' DG A 13 4.793 4.070 5.838 1.00 0.17 C ATOM 401 N9 DG A 13 3.967 3.770 4.653 1.00 0.17 N ATOM 402 C8 DG A 13 3.386 4.643 3.770 1.00 0.20 C ATOM 403 N7 DG A 13 2.695 4.062 2.830 1.00 0.23 N ATOM 404 C5 DG A 13 2.825 2.706 3.108 1.00 0.20 C ATOM 405 C6 DG A 13 2.287 1.582 2.423 1.00 0.22 C ATOM 406 O6 DG A 13 1.575 1.569 1.421 1.00 0.26 O ATOM 407 N1 DG A 13 2.659 0.391 3.031 1.00 0.20 N ATOM 408 C2 DG A 13 3.450 0.289 4.156 1.00 0.19 C ATOM 409 N2 DG A 13 3.702 -0.945 4.593 1.00 0.23 N ATOM 410 N3 DG A 13 3.955 1.345 4.801 1.00 0.18 N ATOM 411 C4 DG A 13 3.603 2.517 4.223 1.00 0.17 C ATOM 0 H5' DG A 13 3.578 7.223 7.970 1.00 0.26 H new ATOM 0 H5'' DG A 13 5.243 7.693 8.249 1.00 0.26 H new ATOM 0 H4' DG A 13 5.065 5.339 8.466 1.00 0.23 H new ATOM 0 H3' DG A 13 6.898 6.468 6.598 1.00 0.26 H new ATOM 0 H2' DG A 13 6.063 5.374 4.647 1.00 0.20 H new ATOM 0 H2'' DG A 13 6.906 3.996 5.325 1.00 0.20 H new ATOM 0 H1' DG A 13 4.998 3.114 6.319 1.00 0.17 H new ATOM 0 H8 DG A 13 3.491 5.715 3.846 1.00 0.20 H new ATOM 0 H1 DG A 13 2.321 -0.476 2.613 1.00 0.20 H new ATOM 0 H21 DG A 13 4.281 -1.084 5.421 1.00 0.23 H new ATOM 0 H22 DG A 13 3.316 -1.750 4.099 1.00 0.23 H new ATOM 423 P DG A 14 8.715 4.336 7.227 1.00 0.41 P ATOM 424 OP1 DG A 14 9.573 4.297 8.432 1.00 0.54 O ATOM 425 OP2 DG A 14 9.104 5.176 6.072 1.00 0.45 O ATOM 426 O5' DG A 14 8.511 2.827 6.705 1.00 0.34 O ATOM 427 C5' DG A 14 8.297 1.761 7.635 1.00 0.32 C ATOM 428 C4' DG A 14 8.293 0.403 6.938 1.00 0.23 C ATOM 429 O4' DG A 14 7.221 0.354 5.992 1.00 0.23 O ATOM 430 C3' DG A 14 9.587 0.096 6.177 1.00 0.21 C ATOM 431 O3' DG A 14 10.048 -1.213 6.528 1.00 0.22 O ATOM 432 C2' DG A 14 9.180 0.122 4.708 1.00 0.25 C ATOM 433 C1' DG A 14 7.709 -0.241 4.794 1.00 0.16 C ATOM 434 N9 DG A 14 6.892 0.260 3.674 1.00 0.16 N ATOM 435 C8 DG A 14 6.638 1.557 3.311 1.00 0.19 C ATOM 436 N7 DG A 14 5.864 1.672 2.267 1.00 0.21 N ATOM 437 C5 DG A 14 5.585 0.356 1.910 1.00 0.18 C ATOM 438 C6 DG A 14 4.790 -0.149 0.846 1.00 0.20 C ATOM 439 O6 DG A 14 4.164 0.481 -0.005 1.00 0.24 O ATOM 440 N1 DG A 14 4.771 -1.537 0.840 1.00 0.19 N ATOM 441 C2 DG A 14 5.433 -2.342 1.745 1.00 0.18 C ATOM 442 N2 DG A 14 5.296 -3.657 1.579 1.00 0.21 N ATOM 443 N3 DG A 14 6.181 -1.867 2.746 1.00 0.16 N ATOM 444 C4 DG A 14 6.210 -0.515 2.766 1.00 0.15 C ATOM 0 H5' DG A 14 7.347 1.910 8.149 1.00 0.32 H new ATOM 0 H5'' DG A 14 9.077 1.778 8.396 1.00 0.32 H new ATOM 0 H4' DG A 14 8.183 -0.337 7.730 1.00 0.23 H new ATOM 0 H3' DG A 14 10.387 0.802 6.402 1.00 0.21 H new ATOM 0 H2' DG A 14 9.335 1.102 4.257 1.00 0.25 H new ATOM 0 H2'' DG A 14 9.745 -0.595 4.113 1.00 0.25 H new ATOM 0 H1' DG A 14 7.630 -1.328 4.767 1.00 0.16 H new ATOM 0 H8 DG A 14 7.042 2.407 3.841 1.00 0.19 H new ATOM 0 H1 DG A 14 4.226 -1.997 0.111 1.00 0.19 H new ATOM 0 H21 DG A 14 5.762 -4.303 2.217 1.00 0.21 H new ATOM 0 H22 DG A 14 4.726 -4.018 0.814 1.00 0.21 H new ATOM 456 P DT A 15 10.452 -1.561 8.048 1.00 0.30 P ATOM 457 OP1 DT A 15 11.014 -0.339 8.667 1.00 0.56 O ATOM 458 OP2 DT A 15 11.238 -2.814 8.043 1.00 0.67 O ATOM 459 O5' DT A 15 9.025 -1.861 8.733 1.00 0.45 O ATOM 460 C5' DT A 15 8.943 -2.217 10.116 1.00 0.33 C ATOM 461 C4' DT A 15 8.563 -3.685 10.301 1.00 0.23 C ATOM 462 O4' DT A 15 9.584 -4.525 9.749 1.00 0.44 O ATOM 463 C3' DT A 15 8.383 -4.101 11.765 1.00 0.15 C ATOM 464 O3' DT A 15 7.153 -4.822 11.904 1.00 0.26 O ATOM 465 C2' DT A 15 9.562 -5.029 12.036 1.00 0.20 C ATOM 466 C1' DT A 15 9.796 -5.608 10.651 1.00 0.26 C ATOM 467 N1 DT A 15 11.160 -6.149 10.426 1.00 0.40 N ATOM 468 C2 DT A 15 11.808 -5.794 9.252 1.00 0.69 C ATOM 469 O2 DT A 15 11.289 -5.071 8.406 1.00 0.86 O ATOM 470 N3 DT A 15 13.077 -6.316 9.076 1.00 0.87 N ATOM 471 C4 DT A 15 13.746 -7.148 9.955 1.00 0.83 C ATOM 472 O4 DT A 15 14.878 -7.553 9.695 1.00 1.04 O ATOM 473 C5 DT A 15 12.998 -7.467 11.149 1.00 0.63 C ATOM 474 C7 DT A 15 13.620 -8.378 12.202 1.00 0.81 C ATOM 475 C6 DT A 15 11.759 -6.974 11.348 1.00 0.45 C ATOM 0 H5' DT A 15 8.206 -1.585 10.611 1.00 0.33 H new ATOM 0 H5'' DT A 15 9.902 -2.026 10.598 1.00 0.33 H new ATOM 0 H4' DT A 15 7.606 -3.802 9.792 1.00 0.23 H new ATOM 0 H3' DT A 15 8.351 -3.254 12.451 1.00 0.15 H new ATOM 0 H2' DT A 15 10.433 -4.491 12.411 1.00 0.20 H new ATOM 0 H2'' DT A 15 9.322 -5.798 12.770 1.00 0.20 H new ATOM 0 H1' DT A 15 9.124 -6.455 10.512 1.00 0.26 H new ATOM 0 H3 DT A 15 13.565 -6.063 8.217 1.00 0.87 H new ATOM 0 H71 DT A 15 13.236 -8.111 13.187 1.00 0.81 H new ATOM 0 H72 DT A 15 13.366 -9.415 11.982 1.00 0.81 H new ATOM 0 H73 DT A 15 14.704 -8.260 12.191 1.00 0.81 H new ATOM 0 H6 DT A 15 11.226 -7.233 12.251 1.00 0.45 H new ATOM 488 P DG A 16 5.749 -4.038 11.990 1.00 0.30 P ATOM 489 OP1 DG A 16 5.790 -3.143 13.168 1.00 0.30 O ATOM 490 OP2 DG A 16 4.657 -5.027 11.851 1.00 0.49 O ATOM 491 O5' DG A 16 5.775 -3.126 10.664 1.00 0.31 O ATOM 492 C5' DG A 16 4.599 -2.433 10.235 1.00 0.38 C ATOM 493 C4' DG A 16 3.646 -3.356 9.483 1.00 0.27 C ATOM 494 O4' DG A 16 2.513 -2.614 9.044 1.00 0.27 O ATOM 495 C3' DG A 16 4.265 -4.002 8.242 1.00 0.21 C ATOM 496 O3' DG A 16 4.394 -5.412 8.458 1.00 0.17 O ATOM 497 C2' DG A 16 3.269 -3.739 7.107 1.00 0.20 C ATOM 498 C1' DG A 16 2.045 -3.199 7.837 1.00 0.21 C ATOM 499 N9 DG A 16 1.315 -2.153 7.096 1.00 0.23 N ATOM 500 C8 DG A 16 1.370 -0.794 7.265 1.00 0.30 C ATOM 501 N7 DG A 16 0.607 -0.128 6.448 1.00 0.32 N ATOM 502 C5 DG A 16 -0.002 -1.112 5.678 1.00 0.25 C ATOM 503 C6 DG A 16 -0.939 -0.985 4.618 1.00 0.25 C ATOM 504 O6 DG A 16 -1.421 0.044 4.147 1.00 0.30 O ATOM 505 N1 DG A 16 -1.302 -2.224 4.108 1.00 0.19 N ATOM 506 C2 DG A 16 -0.824 -3.437 4.560 1.00 0.16 C ATOM 507 N2 DG A 16 -1.291 -4.522 3.942 1.00 0.17 N ATOM 508 N3 DG A 16 0.060 -3.558 5.557 1.00 0.15 N ATOM 509 C4 DG A 16 0.425 -2.358 6.067 1.00 0.20 C ATOM 0 H5' DG A 16 4.882 -1.599 9.592 1.00 0.38 H new ATOM 0 H5'' DG A 16 4.089 -2.010 11.101 1.00 0.38 H new ATOM 0 H4' DG A 16 3.384 -4.146 10.186 1.00 0.27 H new ATOM 0 H3' DG A 16 5.253 -3.602 8.015 1.00 0.21 H new ATOM 0 H2' DG A 16 3.659 -3.019 6.388 1.00 0.20 H new ATOM 0 H2'' DG A 16 3.039 -4.650 6.554 1.00 0.20 H new ATOM 0 H1' DG A 16 1.354 -4.030 7.980 1.00 0.21 H new ATOM 0 H8 DG A 16 1.991 -0.318 8.010 1.00 0.30 H new ATOM 0 H1 DG A 16 -1.973 -2.239 3.340 1.00 0.19 H new ATOM 0 H21 DG A 16 -0.976 -5.448 4.230 1.00 0.17 H new ATOM 0 H22 DG A 16 -1.963 -4.426 3.181 1.00 0.17 H new ATOM 521 P DG A 17 5.466 -6.269 7.614 1.00 0.23 P ATOM 522 OP1 DG A 17 5.900 -7.415 8.443 1.00 0.32 O ATOM 523 OP2 DG A 17 6.472 -5.335 7.063 1.00 0.28 O ATOM 524 O5' DG A 17 4.585 -6.836 6.392 1.00 0.29 O ATOM 525 C5' DG A 17 3.736 -7.973 6.574 1.00 0.26 C ATOM 526 C4' DG A 17 3.183 -8.476 5.243 1.00 0.22 C ATOM 527 O4' DG A 17 2.384 -7.452 4.638 1.00 0.23 O ATOM 528 C3' DG A 17 4.265 -8.852 4.233 1.00 0.21 C ATOM 529 O3' DG A 17 3.828 -9.976 3.460 1.00 0.20 O ATOM 530 C2' DG A 17 4.361 -7.622 3.349 1.00 0.18 C ATOM 531 C1' DG A 17 2.915 -7.158 3.343 1.00 0.18 C ATOM 532 N9 DG A 17 2.744 -5.713 3.105 1.00 0.19 N ATOM 533 C8 DG A 17 3.333 -4.661 3.755 1.00 0.22 C ATOM 534 N7 DG A 17 2.967 -3.492 3.310 1.00 0.25 N ATOM 535 C5 DG A 17 2.069 -3.788 2.289 1.00 0.23 C ATOM 536 C6 DG A 17 1.341 -2.914 1.436 1.00 0.27 C ATOM 537 O6 DG A 17 1.347 -1.686 1.416 1.00 0.30 O ATOM 538 N1 DG A 17 0.547 -3.622 0.543 1.00 0.28 N ATOM 539 C2 DG A 17 0.462 -4.998 0.477 1.00 0.27 C ATOM 540 N2 DG A 17 -0.355 -5.495 -0.450 1.00 0.32 N ATOM 541 N3 DG A 17 1.146 -5.819 1.279 1.00 0.24 N ATOM 542 C4 DG A 17 1.926 -5.146 2.157 1.00 0.21 C ATOM 0 H5' DG A 17 2.911 -7.710 7.236 1.00 0.26 H new ATOM 0 H5'' DG A 17 4.295 -8.771 7.062 1.00 0.26 H new ATOM 0 H4' DG A 17 2.608 -9.371 5.480 1.00 0.22 H new ATOM 0 H3' DG A 17 5.215 -9.124 4.693 1.00 0.21 H new ATOM 0 H2' DG A 17 5.034 -6.870 3.760 1.00 0.18 H new ATOM 0 H2'' DG A 17 4.722 -7.860 2.349 1.00 0.18 H new ATOM 0 H1' DG A 17 2.407 -7.670 2.526 1.00 0.18 H new ATOM 0 H8 DG A 17 4.037 -4.789 4.564 1.00 0.22 H new ATOM 0 H1 DG A 17 -0.017 -3.084 -0.115 1.00 0.28 H new ATOM 0 H21 DG A 17 -0.461 -6.505 -0.548 1.00 0.32 H new ATOM 0 H22 DG A 17 -0.875 -4.866 -1.062 1.00 0.32 H new ATOM 554 P DG A 18 4.724 -10.533 2.242 1.00 0.20 P ATOM 555 OP1 DG A 18 5.216 -11.880 2.603 1.00 0.29 O ATOM 556 OP2 DG A 18 5.686 -9.477 1.854 1.00 0.26 O ATOM 557 O5' DG A 18 3.646 -10.692 1.055 1.00 0.19 O ATOM 558 C5' DG A 18 2.944 -9.549 0.560 1.00 0.17 C ATOM 559 C4' DG A 18 2.504 -9.739 -0.889 1.00 0.22 C ATOM 560 O4' DG A 18 1.913 -8.530 -1.369 1.00 0.25 O ATOM 561 C3' DG A 18 3.646 -10.067 -1.837 1.00 0.24 C ATOM 562 O3' DG A 18 3.150 -10.814 -2.953 1.00 0.35 O ATOM 563 C2' DG A 18 4.116 -8.699 -2.298 1.00 0.22 C ATOM 564 C1' DG A 18 2.826 -7.883 -2.269 1.00 0.24 C ATOM 565 N9 DG A 18 3.014 -6.497 -1.798 1.00 0.18 N ATOM 566 C8 DG A 18 3.742 -6.048 -0.726 1.00 0.16 C ATOM 567 N7 DG A 18 3.726 -4.754 -0.582 1.00 0.17 N ATOM 568 C5 DG A 18 2.931 -4.309 -1.631 1.00 0.16 C ATOM 569 C6 DG A 18 2.554 -2.986 -1.987 1.00 0.19 C ATOM 570 O6 DG A 18 2.858 -1.931 -1.433 1.00 0.26 O ATOM 571 N1 DG A 18 1.743 -2.973 -3.113 1.00 0.19 N ATOM 572 C2 DG A 18 1.342 -4.094 -3.812 1.00 0.19 C ATOM 573 N2 DG A 18 0.560 -3.884 -4.870 1.00 0.22 N ATOM 574 N3 DG A 18 1.697 -5.339 -3.478 1.00 0.19 N ATOM 575 C4 DG A 18 2.489 -5.369 -2.382 1.00 0.17 C ATOM 0 H5' DG A 18 3.584 -8.669 0.633 1.00 0.17 H new ATOM 0 H5'' DG A 18 2.070 -9.361 1.184 1.00 0.17 H new ATOM 0 H4' DG A 18 1.808 -10.578 -0.878 1.00 0.22 H new ATOM 0 H3' DG A 18 4.435 -10.662 -1.377 1.00 0.24 H new ATOM 0 H2' DG A 18 4.874 -8.285 -1.633 1.00 0.22 H new ATOM 0 H2'' DG A 18 4.552 -8.734 -3.296 1.00 0.22 H new ATOM 0 H1' DG A 18 2.454 -7.832 -3.292 1.00 0.24 H new ATOM 0 H8 DG A 18 4.280 -6.708 -0.061 1.00 0.16 H new ATOM 0 H1 DG A 18 1.419 -2.066 -3.450 1.00 0.19 H new ATOM 0 H21 DG A 18 0.232 -4.673 -5.426 1.00 0.22 H new ATOM 0 H22 DG A 18 0.290 -2.934 -5.124 1.00 0.22 H new ATOM 587 P DT A 19 4.172 -11.541 -3.964 1.00 0.47 P ATOM 588 OP1 DT A 19 3.385 -12.399 -4.877 1.00 0.56 O ATOM 589 OP2 DT A 19 5.274 -12.125 -3.168 1.00 0.50 O ATOM 590 O5' DT A 19 4.765 -10.310 -4.818 1.00 0.48 O ATOM 591 C5' DT A 19 3.967 -9.673 -5.818 1.00 0.54 C ATOM 592 C4' DT A 19 4.807 -8.792 -6.740 1.00 0.64 C ATOM 593 O4' DT A 19 5.387 -7.720 -5.991 1.00 0.61 O ATOM 594 C3' DT A 19 5.959 -9.534 -7.436 1.00 0.70 C ATOM 595 O3' DT A 19 5.881 -9.384 -8.859 1.00 0.84 O ATOM 596 C2' DT A 19 7.218 -8.868 -6.882 1.00 0.73 C ATOM 597 C1' DT A 19 6.691 -7.497 -6.506 1.00 0.70 C ATOM 598 N1 DT A 19 7.478 -6.789 -5.476 1.00 0.64 N ATOM 599 C2 DT A 19 8.060 -5.588 -5.839 1.00 0.75 C ATOM 600 O2 DT A 19 7.948 -5.124 -6.971 1.00 0.90 O ATOM 601 N3 DT A 19 8.777 -4.938 -4.852 1.00 0.70 N ATOM 602 C4 DT A 19 8.960 -5.379 -3.553 1.00 0.56 C ATOM 603 O4 DT A 19 9.619 -4.717 -2.753 1.00 0.56 O ATOM 604 C5 DT A 19 8.317 -6.640 -3.265 1.00 0.47 C ATOM 605 C7 DT A 19 8.430 -7.239 -1.867 1.00 0.40 C ATOM 606 C6 DT A 19 7.613 -7.295 -4.210 1.00 0.51 C ATOM 0 H5' DT A 19 3.199 -9.067 -5.338 1.00 0.54 H new ATOM 0 H5'' DT A 19 3.453 -10.431 -6.409 1.00 0.54 H new ATOM 0 H4' DT A 19 4.119 -8.439 -7.508 1.00 0.64 H new ATOM 0 H3' DT A 19 5.938 -10.608 -7.250 1.00 0.70 H new ATOM 0 H2' DT A 19 7.621 -9.403 -6.022 1.00 0.73 H new ATOM 0 H2'' DT A 19 8.014 -8.813 -7.625 1.00 0.73 H new ATOM 0 HO3' DT A 19 6.625 -9.863 -9.280 1.00 0.84 H new ATOM 0 H1' DT A 19 6.733 -6.863 -7.391 1.00 0.70 H new ATOM 0 H3 DT A 19 9.212 -4.051 -5.105 1.00 0.70 H new ATOM 0 H71 DT A 19 7.538 -7.827 -1.650 1.00 0.40 H new ATOM 0 H72 DT A 19 9.309 -7.881 -1.816 1.00 0.40 H new ATOM 0 H73 DT A 19 8.523 -6.438 -1.134 1.00 0.40 H new ATOM 0 H6 DT A 19 7.146 -8.237 -3.964 1.00 0.51 H new TER 620 DT A 19