USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 188 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 DT C7 :methyl 150:sc= -0.644 (180deg=0) USER MOD Set 1.2: B 12 DT C7 :methyl 150:sc= -0.65 (180deg=-0.00203) USER MOD Set 2.1: B 9 DT C7 :methyl -30:sc= 0 (180deg=0) USER MOD Set 2.2: B 16 DT O3' : rot 157:sc= 0 USER MOD Set 3.1: A 4 DT C7 :methyl -30:sc= -0.423 (180deg=0) USER MOD Set 3.2: B 16 DT C7 :methyl 150:sc= -0.428 (180deg=0) 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 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 9 DT O5' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -8.855 -2.642 7.103 1.00 0.00 O ATOM 2 C5' DT A 1 -9.554 -1.613 7.786 1.00 0.00 C ATOM 3 C4' DT A 1 -10.963 -1.473 7.210 1.00 0.00 C ATOM 4 O4' DT A 1 -11.703 -2.638 7.490 1.00 0.00 O ATOM 5 C3' DT A 1 -11.737 -0.323 7.858 1.00 0.00 C ATOM 6 O3' DT A 1 -11.826 0.787 7.000 1.00 0.00 O ATOM 7 C2' DT A 1 -13.142 -0.861 8.067 1.00 0.00 C ATOM 8 C1' DT A 1 -13.059 -2.265 7.469 1.00 0.00 C ATOM 9 N1 DT A 1 -13.808 -3.227 8.291 1.00 0.00 N ATOM 10 C2 DT A 1 -14.928 -3.841 7.732 1.00 0.00 C ATOM 11 O2 DT A 1 -15.317 -3.637 6.586 1.00 0.00 O ATOM 12 N3 DT A 1 -15.599 -4.726 8.543 1.00 0.00 N ATOM 13 C4 DT A 1 -15.269 -5.035 9.848 1.00 0.00 C ATOM 14 O4 DT A 1 -15.984 -5.821 10.454 1.00 0.00 O ATOM 15 C5 DT A 1 -14.090 -4.343 10.368 1.00 0.00 C 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H new ATOM 0 H22 DG A 3 2.576 -0.580 1.956 1.00 0.00 H new ATOM 94 P DT A 4 -5.858 -5.418 -2.207 1.00 0.00 P ATOM 95 OP1 DT A 4 -7.177 -5.048 -1.637 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.516 -6.847 -2.349 1.00 0.00 O ATOM 97 O5' DT A 4 -5.692 -4.706 -3.638 1.00 0.00 O ATOM 98 C5' DT A 4 -4.793 -5.224 -4.602 1.00 0.00 C ATOM 99 C4' DT A 4 -4.262 -4.134 -5.545 1.00 0.00 C ATOM 100 O4' DT A 4 -3.178 -3.450 -4.900 1.00 0.00 O ATOM 101 C3' DT A 4 -3.633 -4.778 -6.788 1.00 0.00 C ATOM 102 O3' DT A 4 -3.514 -3.812 -7.821 1.00 0.00 O ATOM 103 C2' DT A 4 -2.230 -5.051 -6.289 1.00 0.00 C ATOM 104 C1' DT A 4 -1.987 -3.703 -5.641 1.00 0.00 C ATOM 105 N1 DT A 4 -0.736 -3.770 -4.877 1.00 0.00 N ATOM 106 C2 DT A 4 0.461 -3.564 -5.567 1.00 0.00 C ATOM 107 O2 DT A 4 0.530 -3.269 -6.756 1.00 0.00 O ATOM 108 N3 DT A 4 1.619 -3.723 -4.845 1.00 0.00 N ATOM 109 C4 DT A 4 1.699 -4.021 -3.507 1.00 0.00 C ATOM 110 O4 DT A 4 2.808 -4.074 -2.987 1.00 0.00 O ATOM 111 C5 DT A 4 0.411 -4.257 -2.864 1.00 0.00 C ATOM 112 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1.00 0.00 C ATOM 168 C1' DG A 6 -5.992 -0.561 -3.144 1.00 0.00 C ATOM 169 N9 DG A 6 -4.851 -0.429 -4.060 1.00 0.00 N ATOM 170 C8 DG A 6 -4.923 -0.492 -5.417 1.00 0.00 C ATOM 171 N7 DG A 6 -3.776 -0.409 -6.042 1.00 0.00 N ATOM 172 C5 DG A 6 -2.857 -0.390 -4.971 1.00 0.00 C ATOM 173 C6 DG A 6 -1.418 -0.413 -4.952 1.00 0.00 C ATOM 174 O6 DG A 6 -0.618 -0.395 -5.886 1.00 0.00 O ATOM 175 N1 DG A 6 -0.884 -0.523 -3.682 1.00 0.00 N ATOM 176 C2 DG A 6 -1.617 -0.586 -2.539 1.00 0.00 C ATOM 177 N2 DG A 6 -0.916 -0.672 -1.427 1.00 0.00 N ATOM 178 N3 DG A 6 -2.953 -0.547 -2.505 1.00 0.00 N ATOM 179 C4 DG A 6 -3.512 -0.459 -3.754 1.00 0.00 C ATOM 0 H5' DG A 6 -7.443 -1.717 -6.000 1.00 0.00 H new ATOM 0 H5'' DG A 6 -7.325 -3.368 -5.426 1.00 0.00 H new ATOM 0 H4' DG A 6 -8.255 -2.710 -3.332 1.00 0.00 H new ATOM 0 H3' DG A 6 -9.139 -0.207 -4.263 1.00 0.00 H new ATOM 0 H2' DG A 6 -7.045 0.844 -4.417 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.347 1.075 -2.706 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.687 -0.279 -2.136 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.861 -0.603 -5.942 1.00 0.00 H new ATOM 0 H1 DG A 6 0.132 -0.559 -3.596 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.392 -0.723 -0.527 1.00 0.00 H new ATOM 0 H22 DG A 6 0.103 -0.687 -1.467 1.00 0.00 H new ATOM 191 P DC A 7 -9.802 0.357 -1.474 1.00 0.00 P ATOM 192 OP1 DC A 7 -10.970 -0.193 -0.745 1.00 0.00 O ATOM 193 OP2 DC A 7 -9.969 1.556 -2.321 1.00 0.00 O ATOM 194 O5' DC A 7 -8.645 0.623 -0.374 1.00 0.00 O ATOM 195 C5' DC A 7 -8.098 1.917 -0.177 1.00 0.00 C ATOM 196 C4' DC A 7 -6.692 1.922 0.443 1.00 0.00 C ATOM 197 O4' DC A 7 -5.679 1.296 -0.316 1.00 0.00 O ATOM 198 C3' DC A 7 -6.292 3.384 0.625 1.00 0.00 C ATOM 199 O3' DC A 7 -6.799 3.880 1.844 1.00 0.00 O ATOM 200 C2' DC A 7 -4.779 3.331 0.569 1.00 0.00 C ATOM 201 C1' DC A 7 -4.470 2.037 -0.185 1.00 0.00 C ATOM 202 N1 DC A 7 -4.006 2.390 -1.547 1.00 0.00 N ATOM 203 C2 DC A 7 -2.649 2.508 -1.833 1.00 0.00 C ATOM 204 O2 DC A 7 -1.801 2.375 -0.952 1.00 0.00 O ATOM 205 N3 DC A 7 -2.240 2.760 -3.106 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0.00 O ATOM 225 C5' DT A 8 -5.915 4.306 4.599 1.00 0.00 C ATOM 226 C4' DT A 8 -5.066 4.475 5.860 1.00 0.00 C ATOM 227 O4' DT A 8 -3.764 3.980 5.648 1.00 0.00 O ATOM 228 C3' DT A 8 -4.911 5.937 6.297 1.00 0.00 C ATOM 229 O3' DT A 8 -5.894 6.372 7.221 1.00 0.00 O ATOM 230 C2' DT A 8 -3.541 5.951 6.961 1.00 0.00 C ATOM 231 C1' DT A 8 -2.840 4.687 6.453 1.00 0.00 C ATOM 232 N1 DT A 8 -1.651 5.050 5.651 1.00 0.00 N ATOM 233 C2 DT A 8 -0.476 5.361 6.343 1.00 0.00 C ATOM 234 O2 DT A 8 -0.378 5.312 7.565 1.00 0.00 O ATOM 235 N3 DT A 8 0.588 5.791 5.583 1.00 0.00 N ATOM 236 C4 DT A 8 0.591 5.942 4.212 1.00 0.00 C ATOM 237 O4 DT A 8 1.597 6.369 3.663 1.00 0.00 O ATOM 238 C5 DT A 8 -0.661 5.574 3.557 1.00 0.00 C ATOM 239 C7 DT A 8 -0.779 5.622 2.048 1.00 0.00 C ATOM 240 C6 DT A 8 -1.731 5.160 4.281 1.00 0.00 C ATOM 0 H5' DT A 8 -5.805 3.286 4.232 1.00 0.00 H new ATOM 0 H5'' DT A 8 -6.965 4.440 4.858 1.00 0.00 H new ATOM 0 H4' DT A 8 -5.595 3.922 6.636 1.00 0.00 H new ATOM 0 H3' DT A 8 -5.022 6.611 5.448 1.00 0.00 H new ATOM 0 H2' DT A 8 -2.982 6.847 6.693 1.00 0.00 H new ATOM 0 H2'' DT A 8 -3.629 5.944 8.047 1.00 0.00 H new ATOM 0 HO3' DT A 8 -5.731 7.310 7.455 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.510 4.073 7.291 1.00 0.00 H new ATOM 0 H3 DT A 8 1.451 6.018 6.078 1.00 0.00 H new ATOM 0 H71 DT A 8 -1.493 4.869 1.715 1.00 0.00 H new ATOM 0 H72 DT A 8 -1.123 6.610 1.741 1.00 0.00 H new ATOM 0 H73 DT A 8 0.195 5.422 1.600 1.00 0.00 H new ATOM 0 H6 DT A 8 -2.654 4.914 3.778 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 8.531 -1.136 8.067 1.00 0.00 O ATOM 256 C5' DT B 9 8.961 -1.766 6.869 1.00 0.00 C ATOM 257 C4' DT B 9 10.380 -2.331 6.992 1.00 0.00 C ATOM 258 O4' DT B 9 10.382 -3.498 7.786 1.00 0.00 O ATOM 259 C3' DT B 9 10.924 -2.762 5.631 1.00 0.00 C ATOM 260 O3' DT B 9 11.725 -1.726 5.110 1.00 0.00 O ATOM 261 C2' DT B 9 11.769 -3.994 5.942 1.00 0.00 C ATOM 262 C1' DT B 9 11.532 -4.237 7.439 1.00 0.00 C ATOM 263 N1 DT B 9 11.280 -5.659 7.739 1.00 0.00 N ATOM 264 C2 DT B 9 12.134 -6.324 8.619 1.00 0.00 C ATOM 265 O2 DT B 9 13.071 -5.780 9.196 1.00 0.00 O ATOM 266 N3 DT B 9 11.878 -7.664 8.824 1.00 0.00 N ATOM 267 C4 DT B 9 10.853 -8.392 8.252 1.00 0.00 C ATOM 268 O4 DT B 9 10.758 -9.582 8.530 1.00 0.00 O ATOM 269 C5 DT B 9 9.981 -7.617 7.362 1.00 0.00 C ATOM 270 C7 DT B 9 8.768 -8.224 6.667 1.00 0.00 C ATOM 271 C6 DT B 9 10.218 -6.299 7.152 1.00 0.00 C ATOM 0 H5' DT B 9 8.927 -1.048 6.050 1.00 0.00 H new ATOM 0 H5'' DT B 9 8.271 -2.571 6.616 1.00 0.00 H new ATOM 0 H4' DT B 9 10.988 -1.539 7.429 1.00 0.00 H new ATOM 0 H3' DT B 9 10.148 -2.975 4.896 1.00 0.00 H new ATOM 0 H2' DT B 9 11.460 -4.852 5.344 1.00 0.00 H new ATOM 0 H2'' DT B 9 12.823 -3.820 5.728 1.00 0.00 H new ATOM 0 HO5' DT B 9 7.623 -0.788 7.946 1.00 0.00 H new ATOM 0 H1' DT B 9 12.418 -3.937 7.999 1.00 0.00 H new ATOM 0 H3 DT B 9 12.503 -8.163 9.456 1.00 0.00 H new ATOM 0 H71 DT B 9 8.947 -9.283 6.481 1.00 0.00 H new ATOM 0 H72 DT B 9 7.890 -8.110 7.303 1.00 0.00 H new ATOM 0 H73 DT B 9 8.598 -7.713 5.719 1.00 0.00 H new ATOM 0 H6 DT B 9 9.556 -5.740 6.508 1.00 0.00 H new ATOM 285 P DC B 10 11.865 -1.465 3.531 1.00 0.00 P ATOM 286 OP1 DC B 10 11.889 -2.740 2.783 1.00 0.00 O ATOM 287 OP2 DC B 10 12.907 -0.453 3.291 1.00 0.00 O ATOM 288 O5' DC B 10 10.451 -0.810 3.147 1.00 0.00 O ATOM 289 C5' DC B 10 10.125 0.494 3.589 1.00 0.00 C ATOM 290 C4' DC B 10 8.792 0.935 2.992 1.00 0.00 C ATOM 291 O4' DC B 10 7.681 0.308 3.622 1.00 0.00 O ATOM 292 C3' DC B 10 8.595 2.442 3.090 1.00 0.00 C ATOM 293 O3' DC B 10 8.668 2.996 1.782 1.00 0.00 O ATOM 294 C2' DC B 10 7.200 2.532 3.682 1.00 0.00 C ATOM 295 C1' DC B 10 6.571 1.163 3.447 1.00 0.00 C ATOM 296 N1 DC B 10 5.441 0.805 4.340 1.00 0.00 N ATOM 297 C2 DC B 10 4.259 0.269 3.791 1.00 0.00 C ATOM 298 O2 DC B 10 4.113 0.097 2.579 1.00 0.00 O ATOM 299 N3 DC B 10 3.221 -0.066 4.603 1.00 0.00 N ATOM 300 C4 DC B 10 3.337 0.154 5.903 1.00 0.00 C ATOM 301 N4 DC B 10 2.341 -0.257 6.645 1.00 0.00 N ATOM 302 C5 DC B 10 4.497 0.735 6.504 1.00 0.00 C ATOM 303 C6 DC B 10 5.527 1.046 5.685 1.00 0.00 C ATOM 0 H5' DC B 10 10.911 1.191 3.298 1.00 0.00 H new ATOM 0 H5'' DC B 10 10.069 0.513 4.677 1.00 0.00 H new ATOM 0 H4' DC B 10 8.835 0.632 1.946 1.00 0.00 H new ATOM 0 H3' DC B 10 9.333 2.982 3.683 1.00 0.00 H new ATOM 0 H2' DC B 10 7.239 2.769 4.745 1.00 0.00 H new ATOM 0 H2'' DC B 10 6.619 3.319 3.201 1.00 0.00 H new ATOM 0 H1' DC B 10 6.087 1.106 2.472 1.00 0.00 H new ATOM 0 H41 DC B 10 2.367 -0.119 7.655 1.00 0.00 H new ATOM 0 H42 DC B 10 1.539 -0.716 6.213 1.00 0.00 H new ATOM 0 H5 DC B 10 4.548 0.918 7.567 1.00 0.00 H new ATOM 0 H6 DC B 10 6.424 1.487 6.095 1.00 0.00 H new ATOM 315 P DG B 11 8.671 4.590 1.515 1.00 0.00 P ATOM 316 OP1 DG B 11 9.620 4.807 0.395 1.00 0.00 O ATOM 317 OP2 DG B 11 8.883 5.271 2.807 1.00 0.00 O ATOM 318 O5' DG B 11 7.171 4.889 1.001 1.00 0.00 O ATOM 319 C5' DG B 11 6.802 4.668 -0.354 1.00 0.00 C ATOM 320 C4' DG B 11 5.293 4.511 -0.521 1.00 0.00 C ATOM 321 O4' DG B 11 4.808 3.520 0.361 1.00 0.00 O ATOM 322 C3' DG B 11 4.487 5.790 -0.299 1.00 0.00 C ATOM 323 O3' DG B 11 4.007 6.314 -1.520 1.00 0.00 O ATOM 324 C2' DG B 11 3.263 5.283 0.436 1.00 0.00 C ATOM 325 C1' DG B 11 3.436 3.767 0.534 1.00 0.00 C ATOM 326 N9 DG B 11 3.073 3.345 1.888 1.00 0.00 N ATOM 327 C8 DG B 11 3.807 3.617 2.997 1.00 0.00 C ATOM 328 N7 DG B 11 3.220 3.326 4.127 1.00 0.00 N ATOM 329 C5 DG B 11 1.967 2.841 3.717 1.00 0.00 C ATOM 330 C6 DG B 11 0.810 2.417 4.462 1.00 0.00 C ATOM 331 O6 DG B 11 0.625 2.357 5.675 1.00 0.00 O ATOM 332 N1 DG B 11 -0.254 2.062 3.653 1.00 0.00 N ATOM 333 C2 DG B 11 -0.233 2.105 2.298 1.00 0.00 C ATOM 334 N2 DG B 11 -1.360 1.815 1.702 1.00 0.00 N ATOM 335 N3 DG B 11 0.816 2.484 1.565 1.00 0.00 N ATOM 336 C4 DG B 11 1.882 2.843 2.338 1.00 0.00 C ATOM 0 H5' DG B 11 7.302 3.773 -0.724 1.00 0.00 H new ATOM 0 H5'' DG B 11 7.149 5.502 -0.964 1.00 0.00 H new ATOM 0 H4' DG B 11 5.153 4.228 -1.564 1.00 0.00 H new ATOM 0 H3' DG B 11 5.080 6.555 0.202 1.00 0.00 H new ATOM 0 H2' DG B 11 3.187 5.733 1.426 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.350 5.539 -0.102 1.00 0.00 H new ATOM 0 H1' DG B 11 2.824 3.242 -0.200 1.00 0.00 H new ATOM 0 H8 DG B 11 4.799 4.041 2.949 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.112 1.747 4.106 1.00 0.00 H new ATOM 0 H21 DG B 11 -1.416 1.828 0.684 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.183 1.576 2.255 1.00 0.00 H new ATOM 348 P DT B 12 4.549 7.685 -2.145 1.00 0.00 P ATOM 349 OP1 DT B 12 6.014 7.582 -2.320 1.00 0.00 O ATOM 350 OP2 DT B 12 3.946 8.806 -1.396 1.00 0.00 O ATOM 351 O5' DT B 12 3.846 7.575 -3.580 1.00 0.00 O ATOM 352 C5' DT B 12 4.232 6.547 -4.468 1.00 0.00 C ATOM 353 C4' DT B 12 3.325 6.438 -5.690 1.00 0.00 C ATOM 354 O4' DT B 12 2.143 5.732 -5.333 1.00 0.00 O ATOM 355 C3' DT B 12 2.862 7.762 -6.289 1.00 0.00 C ATOM 356 O3' DT B 12 2.732 7.473 -7.671 1.00 0.00 O ATOM 357 C2' DT B 12 1.501 7.950 -5.639 1.00 0.00 C ATOM 358 C1' DT B 12 1.017 6.508 -5.697 1.00 0.00 C ATOM 359 N1 DT B 12 -0.128 6.299 -4.791 1.00 0.00 N ATOM 360 C2 DT B 12 -1.413 6.323 -5.342 1.00 0.00 C ATOM 361 O2 DT B 12 -1.646 6.408 -6.543 1.00 0.00 O ATOM 362 N3 DT B 12 -2.464 6.258 -4.457 1.00 0.00 N ATOM 363 C4 DT B 12 -2.361 6.128 -3.093 1.00 0.00 C ATOM 364 O4 DT B 12 -3.390 6.062 -2.433 1.00 0.00 O ATOM 365 C5 DT B 12 -0.993 6.086 -2.592 1.00 0.00 C ATOM 366 C7 DT B 12 -0.745 5.927 -1.114 1.00 0.00 C ATOM 367 C6 DT B 12 0.070 6.189 -3.434 1.00 0.00 C ATOM 0 H5' DT B 12 4.230 5.596 -3.936 1.00 0.00 H new ATOM 0 H5'' DT B 12 5.255 6.725 -4.798 1.00 0.00 H new ATOM 0 H4' DT B 12 3.938 5.935 -6.438 1.00 0.00 H new ATOM 0 H3' DT B 12 3.494 8.639 -6.146 1.00 0.00 H new ATOM 0 H2' DT B 12 1.569 8.332 -4.620 1.00 0.00 H new ATOM 0 H2'' DT B 12 0.859 8.634 -6.194 1.00 0.00 H new ATOM 0 H1' DT B 12 0.651 6.229 -6.685 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.404 6.311 -4.848 1.00 0.00 H new ATOM 0 H71 DT B 12 0.197 5.402 -0.958 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.695 6.910 -0.646 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.558 5.354 -0.668 1.00 0.00 H new ATOM 0 H6 DT B 12 1.074 6.184 -3.036 1.00 0.00 H new ATOM 380 P DT B 13 3.094 8.524 -8.826 1.00 0.00 P ATOM 381 OP1 DT B 13 2.098 9.614 -8.815 1.00 0.00 O ATOM 382 OP2 DT B 13 3.291 7.680 -10.023 1.00 0.00 O ATOM 383 O5' DT B 13 4.509 9.124 -8.337 1.00 0.00 O ATOM 384 C5' DT B 13 5.601 8.313 -7.947 1.00 0.00 C ATOM 385 C4' DT B 13 6.334 7.622 -9.105 1.00 0.00 C ATOM 386 O4' DT B 13 6.832 8.545 -10.066 1.00 0.00 O ATOM 387 C3' DT B 13 7.554 6.877 -8.532 1.00 0.00 C ATOM 388 O3' DT B 13 7.678 5.528 -8.957 1.00 0.00 O ATOM 389 C2' DT B 13 8.742 7.641 -9.103 1.00 0.00 C ATOM 390 C1' DT B 13 8.148 8.909 -9.712 1.00 0.00 C ATOM 391 N1 DT B 13 8.180 10.148 -8.900 1.00 0.00 N ATOM 392 C2 DT B 13 8.132 11.362 -9.596 1.00 0.00 C ATOM 393 O2 DT B 13 7.987 11.454 -10.811 1.00 0.00 O ATOM 394 N3 DT B 13 8.339 12.503 -8.855 1.00 0.00 N ATOM 395 C4 DT B 13 8.619 12.557 -7.508 1.00 0.00 C ATOM 396 O4 DT B 13 8.827 13.652 -7.003 1.00 0.00 O ATOM 397 C5 DT B 13 8.643 11.255 -6.838 1.00 0.00 C ATOM 398 C7 DT B 13 8.928 11.141 -5.343 1.00 0.00 C ATOM 399 C6 DT B 13 8.428 10.115 -7.551 1.00 0.00 C ATOM 0 H5' DT B 13 5.241 7.550 -7.257 1.00 0.00 H new ATOM 0 H5'' DT B 13 6.315 8.928 -7.399 1.00 0.00 H new ATOM 0 H4' DT B 13 5.618 6.959 -9.591 1.00 0.00 H new ATOM 0 H3' DT B 13 7.476 6.841 -7.445 1.00 0.00 H new ATOM 0 H2' DT B 13 9.467 7.880 -8.325 1.00 0.00 H new ATOM 0 H2'' DT B 13 9.265 7.051 -9.855 1.00 0.00 H new ATOM 0 H1' DT B 13 8.776 9.213 -10.549 1.00 0.00 H new ATOM 0 H3 DT B 13 8.279 13.393 -9.350 1.00 0.00 H new ATOM 0 H71 DT B 13 8.410 10.271 -4.939 1.00 0.00 H new ATOM 0 H72 DT B 13 10.001 11.031 -5.184 1.00 0.00 H new ATOM 0 H73 DT B 13 8.577 12.040 -4.836 1.00 0.00 H new ATOM 0 H6 DT B 13 8.453 9.162 -7.043 1.00 0.00 H new ATOM 412 P DG B 14 6.733 4.348 -8.410 1.00 0.00 P ATOM 413 OP1 DG B 14 6.864 3.185 -9.308 1.00 0.00 O ATOM 414 OP2 DG B 14 5.383 4.901 -8.152 1.00 0.00 O ATOM 415 O5' DG B 14 7.356 3.918 -6.984 1.00 0.00 O ATOM 416 C5' DG B 14 7.382 4.796 -5.868 1.00 0.00 C ATOM 417 C4' DG B 14 7.431 4.072 -4.512 1.00 0.00 C ATOM 418 O4' DG B 14 6.186 4.018 -3.841 1.00 0.00 O ATOM 419 C3' DG B 14 8.053 2.687 -4.502 1.00 0.00 C ATOM 420 O3' DG B 14 8.817 2.552 -3.306 1.00 0.00 O ATOM 421 C2' DG B 14 6.794 1.852 -4.502 1.00 0.00 C ATOM 422 C1' DG B 14 5.726 2.688 -3.776 1.00 0.00 C ATOM 423 N9 DG B 14 4.454 2.725 -4.512 1.00 0.00 N ATOM 424 C8 DG B 14 4.355 3.035 -5.827 1.00 0.00 C ATOM 425 N7 DG B 14 3.145 3.046 -6.316 1.00 0.00 N ATOM 426 C5 DG B 14 2.361 2.803 -5.171 1.00 0.00 C ATOM 427 C6 DG B 14 0.932 2.799 -4.980 1.00 0.00 C ATOM 428 O6 DG B 14 0.019 2.959 -5.789 1.00 0.00 O ATOM 429 N1 DG B 14 0.559 2.613 -3.665 1.00 0.00 N ATOM 430 C2 DG B 14 1.426 2.448 -2.631 1.00 0.00 C ATOM 431 N2 DG B 14 0.855 2.272 -1.458 1.00 0.00 N ATOM 432 N3 DG B 14 2.755 2.446 -2.757 1.00 0.00 N ATOM 433 C4 DG B 14 3.161 2.640 -4.052 1.00 0.00 C ATOM 0 H5' DG B 14 6.498 5.433 -5.898 1.00 0.00 H new ATOM 0 H5'' DG B 14 8.250 5.450 -5.952 1.00 0.00 H new ATOM 0 H4' DG B 14 8.113 4.724 -3.967 1.00 0.00 H new ATOM 0 H3' DG B 14 8.739 2.430 -5.309 1.00 0.00 H new ATOM 0 H2' DG B 14 6.481 1.619 -5.520 1.00 0.00 H new ATOM 0 H2'' DG B 14 6.957 0.902 -3.993 1.00 0.00 H new ATOM 0 H1' DG B 14 5.574 2.272 -2.780 1.00 0.00 H new ATOM 0 H8 DG B 14 5.221 3.259 -6.432 1.00 0.00 H new ATOM 0 H1 DG B 14 -0.439 2.598 -3.453 1.00 0.00 H new ATOM 0 H21 DG B 14 1.430 2.140 -0.626 1.00 0.00 H new ATOM 0 H22 DG B 14 -0.162 2.268 -1.381 1.00 0.00 H new ATOM 445 P DC B 15 9.560 1.188 -2.877 1.00 0.00 P ATOM 446 OP1 DC B 15 10.594 1.575 -1.886 1.00 0.00 O ATOM 447 OP2 DC B 15 9.924 0.450 -4.104 1.00 0.00 O ATOM 448 O5' DC B 15 8.386 0.388 -2.114 1.00 0.00 O ATOM 449 C5' DC B 15 7.926 0.833 -0.853 1.00 0.00 C ATOM 450 C4' DC B 15 6.656 0.137 -0.357 1.00 0.00 C ATOM 451 O4' DC B 15 5.457 0.613 -0.922 1.00 0.00 O ATOM 452 C3' DC B 15 6.673 -1.380 -0.493 1.00 0.00 C ATOM 453 O3' DC B 15 7.518 -1.947 0.493 1.00 0.00 O ATOM 454 C2' DC B 15 5.188 -1.683 -0.314 1.00 0.00 C ATOM 455 C1' DC B 15 4.477 -0.409 -0.778 1.00 0.00 C ATOM 456 N1 DC B 15 3.886 -0.606 -2.119 1.00 0.00 N ATOM 457 C2 DC B 15 2.510 -0.756 -2.269 1.00 0.00 C ATOM 458 O2 DC B 15 1.774 -0.864 -1.289 1.00 0.00 O ATOM 459 N3 DC B 15 1.960 -0.762 -3.513 1.00 0.00 N ATOM 460 C4 DC B 15 2.764 -0.671 -4.562 1.00 0.00 C ATOM 461 N4 DC B 15 2.190 -0.610 -5.735 1.00 0.00 N ATOM 462 C5 DC B 15 4.189 -0.595 -4.460 1.00 0.00 C ATOM 463 C6 DC B 15 4.703 -0.562 -3.207 1.00 0.00 C ATOM 0 H5' DC B 15 7.740 1.906 -0.907 1.00 0.00 H new ATOM 0 H5'' DC B 15 8.717 0.683 -0.119 1.00 0.00 H new ATOM 0 H4' DC B 15 6.670 0.401 0.700 1.00 0.00 H new ATOM 0 H3' DC B 15 7.072 -1.789 -1.421 1.00 0.00 H new ATOM 0 H2' DC B 15 4.885 -2.545 -0.908 1.00 0.00 H new ATOM 0 H2'' DC B 15 4.952 -1.913 0.725 1.00 0.00 H new ATOM 0 H1' DC B 15 3.703 -0.155 -0.054 1.00 0.00 H new ATOM 0 H41 DC B 15 2.759 -0.539 -6.578 1.00 0.00 H new ATOM 0 H42 DC B 15 1.173 -0.633 -5.807 1.00 0.00 H new ATOM 0 H5 DC B 15 4.821 -0.566 -5.335 1.00 0.00 H new ATOM 0 H6 DC B 15 5.772 -0.500 -3.070 1.00 0.00 H new ATOM 475 P DT B 16 7.526 -3.521 0.842 1.00 0.00 P ATOM 476 OP1 DT B 16 8.916 -3.828 1.239 1.00 0.00 O ATOM 477 OP2 DT B 16 6.890 -4.264 -0.262 1.00 0.00 O ATOM 478 O5' DT B 16 6.599 -3.580 2.160 1.00 0.00 O ATOM 479 C5' DT B 16 6.849 -2.675 3.223 1.00 0.00 C ATOM 480 C4' DT B 16 6.133 -3.006 4.535 1.00 0.00 C ATOM 481 O4' DT B 16 4.769 -2.668 4.495 1.00 0.00 O ATOM 482 C3' DT B 16 6.159 -4.481 4.930 1.00 0.00 C ATOM 483 O3' DT B 16 7.396 -4.878 5.492 1.00 0.00 O ATOM 484 C2' DT B 16 5.030 -4.522 5.954 1.00 0.00 C ATOM 485 C1' DT B 16 4.101 -3.376 5.526 1.00 0.00 C ATOM 486 N1 DT B 16 2.802 -3.880 5.027 1.00 0.00 N ATOM 487 C2 DT B 16 1.816 -4.188 5.969 1.00 0.00 C ATOM 488 O2 DT B 16 1.979 -4.078 7.181 1.00 0.00 O ATOM 489 N3 DT B 16 0.616 -4.653 5.475 1.00 0.00 N ATOM 490 C4 DT B 16 0.297 -4.810 4.142 1.00 0.00 C ATOM 491 O4 DT B 16 -0.826 -5.199 3.847 1.00 0.00 O ATOM 492 C5 DT B 16 1.384 -4.479 3.218 1.00 0.00 C ATOM 493 C7 DT B 16 1.200 -4.572 1.715 1.00 0.00 C ATOM 494 C6 DT B 16 2.582 -4.042 3.681 1.00 0.00 C ATOM 0 H5' DT B 16 6.552 -1.675 2.907 1.00 0.00 H new ATOM 0 H5'' DT B 16 7.922 -2.645 3.410 1.00 0.00 H new ATOM 0 H4' DT B 16 6.695 -2.417 5.260 1.00 0.00 H new ATOM 0 H3' DT B 16 6.038 -5.164 4.089 1.00 0.00 H new ATOM 0 H2' DT B 16 4.513 -5.482 5.940 1.00 0.00 H new ATOM 0 H2'' DT B 16 5.404 -4.376 6.967 1.00 0.00 H new ATOM 0 HO3' DT B 16 7.262 -5.674 6.048 1.00 0.00 H new ATOM 0 H1' DT B 16 3.885 -2.736 6.382 1.00 0.00 H new ATOM 0 H3 DT B 16 -0.101 -4.904 6.156 1.00 0.00 H new ATOM 0 H71 DT B 16 1.838 -3.837 1.224 1.00 0.00 H new ATOM 0 H72 DT B 16 1.472 -5.572 1.376 1.00 0.00 H new ATOM 0 H73 DT B 16 0.158 -4.375 1.463 1.00 0.00 H new ATOM 0 H6 DT B 16 3.374 -3.818 2.981 1.00 0.00 H new TER 508 DT B 16