USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 DG O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.566 (180deg=-1.46) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 22:sc= 0.071 USER MOD Single : B 11 DT C7 :methyl -30:sc= 0 (180deg=-0.0367) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.863 (180deg=-2.56!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.365 -8.474 -0.872 1.00 0.00 O ATOM 2 C5' DG A 1 2.632 -8.894 -1.362 1.00 0.00 C ATOM 3 C4' DG A 1 3.819 -8.201 -0.669 1.00 0.00 C ATOM 4 O4' DG A 1 3.842 -6.815 -1.007 1.00 0.00 O ATOM 5 C3' DG A 1 3.807 -8.317 0.860 1.00 0.00 C ATOM 6 O3' DG A 1 5.133 -8.515 1.323 1.00 0.00 O ATOM 7 C2' DG A 1 3.227 -6.981 1.252 1.00 0.00 C ATOM 8 C1' DG A 1 3.759 -6.042 0.181 1.00 0.00 C ATOM 9 N9 DG A 1 2.841 -4.898 -0.002 1.00 0.00 N ATOM 10 C8 DG A 1 1.500 -4.933 -0.281 1.00 0.00 C ATOM 11 N7 DG A 1 0.943 -3.761 -0.409 1.00 0.00 N ATOM 12 C5 DG A 1 1.991 -2.871 -0.152 1.00 0.00 C ATOM 13 C6 DG A 1 2.037 -1.434 -0.133 1.00 0.00 C ATOM 14 O6 DG A 1 1.154 -0.613 -0.382 1.00 0.00 O ATOM 15 N1 DG A 1 3.284 -0.937 0.202 1.00 0.00 N ATOM 16 C2 DG A 1 4.368 -1.713 0.480 1.00 0.00 C ATOM 17 N2 DG A 1 5.480 -1.100 0.805 1.00 0.00 N ATOM 18 N3 DG A 1 4.369 -3.045 0.454 1.00 0.00 N ATOM 19 C4 DG A 1 3.150 -3.567 0.128 1.00 0.00 C ATOM 0 H5' DG A 1 2.682 -8.698 -2.433 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.724 -9.972 -1.231 1.00 0.00 H new ATOM 0 H4' DG A 1 4.707 -8.720 -1.030 1.00 0.00 H new ATOM 0 H3' DG A 1 3.241 -9.150 1.277 1.00 0.00 H new ATOM 0 H2' DG A 1 2.137 -7.003 1.263 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.550 -6.679 2.248 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.655 -8.948 -1.353 1.00 0.00 H new ATOM 0 H1' DG A 1 4.730 -5.629 0.454 1.00 0.00 H new ATOM 0 H8 DG A 1 0.949 -5.856 -0.386 1.00 0.00 H new ATOM 0 H1 DG A 1 3.399 0.076 0.243 1.00 0.00 H new ATOM 0 H21 DG A 1 6.317 -1.642 1.021 1.00 0.00 H new ATOM 0 H22 DG A 1 5.509 -0.081 0.842 1.00 0.00 H new ATOM 32 P DT A 2 5.490 -8.697 2.889 1.00 0.00 P ATOM 33 OP1 DT A 2 6.604 -9.664 2.990 1.00 0.00 O ATOM 34 OP2 DT A 2 4.231 -8.931 3.629 1.00 0.00 O ATOM 35 O5' DT A 2 6.044 -7.234 3.282 1.00 0.00 O ATOM 36 C5' DT A 2 7.257 -6.751 2.725 1.00 0.00 C ATOM 37 C4' DT A 2 7.720 -5.424 3.341 1.00 0.00 C ATOM 38 O4' DT A 2 6.792 -4.391 3.038 1.00 0.00 O ATOM 39 C3' DT A 2 7.896 -5.480 4.864 1.00 0.00 C ATOM 40 O3' DT A 2 9.077 -4.773 5.208 1.00 0.00 O ATOM 41 C2' DT A 2 6.633 -4.797 5.361 1.00 0.00 C ATOM 42 C1' DT A 2 6.364 -3.783 4.246 1.00 0.00 C ATOM 43 N1 DT A 2 4.937 -3.384 4.097 1.00 0.00 N ATOM 44 C2 DT A 2 4.651 -2.021 3.952 1.00 0.00 C ATOM 45 O2 DT A 2 5.491 -1.132 4.055 1.00 0.00 O ATOM 46 N3 DT A 2 3.346 -1.691 3.659 1.00 0.00 N ATOM 47 C4 DT A 2 2.307 -2.583 3.493 1.00 0.00 C ATOM 48 O4 DT A 2 1.211 -2.152 3.149 1.00 0.00 O ATOM 49 C5 DT A 2 2.652 -3.981 3.733 1.00 0.00 C ATOM 50 C7 DT A 2 1.584 -5.059 3.647 1.00 0.00 C ATOM 51 C6 DT A 2 3.935 -4.330 4.011 1.00 0.00 C ATOM 0 H5' DT A 2 7.129 -6.620 1.651 1.00 0.00 H new ATOM 0 H5'' DT A 2 8.037 -7.500 2.864 1.00 0.00 H new ATOM 0 H4' DT A 2 8.697 -5.221 2.901 1.00 0.00 H new ATOM 0 H3' DT A 2 8.011 -6.476 5.292 1.00 0.00 H new ATOM 0 H2' DT A 2 5.809 -5.500 5.482 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.783 -4.313 6.326 1.00 0.00 H new ATOM 0 H1' DT A 2 6.899 -2.867 4.495 1.00 0.00 H new ATOM 0 H3 DT A 2 3.129 -0.700 3.556 1.00 0.00 H new ATOM 0 H71 DT A 2 0.619 -4.638 3.928 1.00 0.00 H new ATOM 0 H72 DT A 2 1.532 -5.439 2.627 1.00 0.00 H new ATOM 0 H73 DT A 2 1.835 -5.875 4.325 1.00 0.00 H new ATOM 0 H6 DT A 2 4.177 -5.371 4.168 1.00 0.00 H new ATOM 64 P DA A 3 9.663 -4.755 6.712 1.00 0.00 P ATOM 65 OP1 DA A 3 11.127 -4.564 6.629 1.00 0.00 O ATOM 66 OP2 DA A 3 9.107 -5.914 7.443 1.00 0.00 O ATOM 67 O5' DA A 3 9.006 -3.411 7.312 1.00 0.00 O ATOM 68 C5' DA A 3 9.473 -2.138 6.900 1.00 0.00 C ATOM 69 C4' DA A 3 8.767 -0.979 7.613 1.00 0.00 C ATOM 70 O4' DA A 3 7.452 -0.821 7.094 1.00 0.00 O ATOM 71 C3' DA A 3 8.668 -1.146 9.137 1.00 0.00 C ATOM 72 O3' DA A 3 9.153 0.048 9.728 1.00 0.00 O ATOM 73 C2' DA A 3 7.167 -1.355 9.337 1.00 0.00 C ATOM 74 C1' DA A 3 6.564 -0.579 8.168 1.00 0.00 C ATOM 75 N9 DA A 3 5.207 -1.032 7.780 1.00 0.00 N ATOM 76 C8 DA A 3 4.724 -2.316 7.687 1.00 0.00 C ATOM 77 N7 DA A 3 3.501 -2.406 7.240 1.00 0.00 N ATOM 78 C5 DA A 3 3.138 -1.068 7.050 1.00 0.00 C ATOM 79 C6 DA A 3 1.971 -0.422 6.585 1.00 0.00 C ATOM 80 N6 DA A 3 0.897 -1.072 6.175 1.00 0.00 N ATOM 81 N1 DA A 3 1.901 0.914 6.528 1.00 0.00 N ATOM 82 C2 DA A 3 2.973 1.606 6.909 1.00 0.00 C ATOM 83 N3 DA A 3 4.142 1.136 7.336 1.00 0.00 N ATOM 84 C4 DA A 3 4.163 -0.224 7.386 1.00 0.00 C ATOM 0 H5' DA A 3 9.330 -2.036 5.824 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.545 -2.073 7.087 1.00 0.00 H new ATOM 0 H4' DA A 3 9.383 -0.100 7.424 1.00 0.00 H new ATOM 0 H3' DA A 3 9.243 -1.959 9.581 1.00 0.00 H new ATOM 0 H2' DA A 3 6.897 -2.411 9.305 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.828 -0.968 10.298 1.00 0.00 H new ATOM 0 H1' DA A 3 6.450 0.470 8.440 1.00 0.00 H new ATOM 0 H8 DA A 3 5.310 -3.181 7.962 1.00 0.00 H new ATOM 0 H61 DA A 3 0.081 -0.554 5.849 1.00 0.00 H new ATOM 0 H62 DA A 3 0.884 -2.092 6.184 1.00 0.00 H new ATOM 0 H2 DA A 3 2.882 2.681 6.866 1.00 0.00 H new ATOM 96 P DC A 4 9.168 0.312 11.323 1.00 0.00 P ATOM 97 OP1 DC A 4 10.396 1.064 11.655 1.00 0.00 O ATOM 98 OP2 DC A 4 8.847 -0.949 12.026 1.00 0.00 O ATOM 99 O5' DC A 4 7.909 1.308 11.440 1.00 0.00 O ATOM 100 C5' DC A 4 7.944 2.558 10.769 1.00 0.00 C ATOM 101 C4' DC A 4 6.610 3.302 10.811 1.00 0.00 C ATOM 102 O4' DC A 4 5.601 2.479 10.248 1.00 0.00 O ATOM 103 C3' DC A 4 6.169 3.719 12.217 1.00 0.00 C ATOM 104 O3' DC A 4 5.855 5.103 12.162 1.00 0.00 O ATOM 105 C2' DC A 4 4.927 2.872 12.468 1.00 0.00 C ATOM 106 C1' DC A 4 4.440 2.592 11.043 1.00 0.00 C ATOM 107 N1 DC A 4 3.641 1.344 10.890 1.00 0.00 N ATOM 108 C2 DC A 4 2.416 1.413 10.221 1.00 0.00 C ATOM 109 O2 DC A 4 1.964 2.478 9.804 1.00 0.00 O ATOM 110 N3 DC A 4 1.685 0.288 10.017 1.00 0.00 N ATOM 111 C4 DC A 4 2.125 -0.866 10.485 1.00 0.00 C ATOM 112 N4 DC A 4 1.377 -1.913 10.241 1.00 0.00 N ATOM 113 C5 DC A 4 3.362 -0.994 11.182 1.00 0.00 C ATOM 114 C6 DC A 4 4.103 0.131 11.349 1.00 0.00 C ATOM 0 H5' DC A 4 8.230 2.397 9.730 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.715 3.183 11.219 1.00 0.00 H new ATOM 0 H4' DC A 4 6.756 4.220 10.241 1.00 0.00 H new ATOM 0 H3' DC A 4 6.911 3.574 13.002 1.00 0.00 H new ATOM 0 H2' DC A 4 5.161 1.954 13.007 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.181 3.406 13.057 1.00 0.00 H new ATOM 0 H1' DC A 4 3.773 3.403 10.751 1.00 0.00 H new ATOM 0 H41 DC A 4 1.663 -2.833 10.576 1.00 0.00 H new ATOM 0 H42 DC A 4 0.509 -1.808 9.716 1.00 0.00 H new ATOM 0 H5 DC A 4 3.696 -1.948 11.562 1.00 0.00 H new ATOM 0 H6 DC A 4 5.061 0.074 11.845 1.00 0.00 H new HETATM 126 P NCX A 5 5.921 6.048 13.466 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.170 7.435 13.012 1.00 0.00 O HETATM 128 OP2 NCX A 5 6.821 5.426 14.459 1.00 0.00 O HETATM 129 O5' NCX A 5 4.417 5.959 14.022 1.00 0.00 O HETATM 130 C5' NCX A 5 3.381 6.753 13.467 1.00 0.00 C HETATM 131 C4' NCX A 5 2.058 6.577 14.223 1.00 0.00 C HETATM 132 O4' NCX A 5 1.410 5.384 13.803 1.00 0.00 O HETATM 133 C1' NCX A 5 1.018 4.660 14.956 1.00 0.00 C HETATM 134 N9 NCX A 5 0.910 3.226 14.623 1.00 0.00 N HETATM 135 C8 NCX A 5 1.758 2.165 14.947 1.00 0.00 C HETATM 136 C7 NCX A 5 1.160 0.968 14.568 1.00 0.00 C HETATM 137 CO7 NCX A 5 1.746 -0.357 14.857 1.00 0.00 C HETATM 138 O7 NCX A 5 2.863 -0.560 15.270 1.00 0.00 O HETATM 139 NH7 NCX A 5 0.951 -1.416 14.705 1.00 0.00 N HETATM 140 C5 NCX A 5 -0.047 1.347 13.903 1.00 0.00 C HETATM 141 C4 NCX A 5 -0.159 2.701 13.994 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.237 3.393 13.453 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.203 2.660 12.772 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.072 1.269 12.606 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.074 0.516 11.806 1.00 0.00 N HETATM 146 O11 NCX A 5 -4.174 1.017 11.645 1.00 0.00 O HETATM 147 O12 NCX A 5 -2.753 -0.593 11.415 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.977 0.603 13.186 1.00 0.00 C HETATM 149 C3' NCX A 5 2.242 6.499 15.745 1.00 0.00 C HETATM 150 C2' NCX A 5 2.070 5.010 16.005 1.00 0.00 C HETATM 151 O3' NCX A 5 1.219 7.263 16.355 1.00 0.00 O HETATM 0 HH72 NCX A 5 1.308 -2.353 14.892 1.00 0.00 H new HETATM 0 HH71 NCX A 5 -0.015 -1.289 14.402 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.676 7.802 13.490 1.00 0.00 H new HETATM 0 H2'' NCX A 5 1.728 4.804 17.019 1.00 0.00 H new HETATM 0 H8 NCX A 5 2.734 2.260 15.422 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.860 -0.475 13.075 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.239 6.485 12.420 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.460 7.458 13.992 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.187 6.883 16.130 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.322 4.474 13.559 1.00 0.00 H new HETATM 0 H2' NCX A 5 2.997 4.455 15.862 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.074 3.170 12.361 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.032 4.915 15.345 1.00 0.00 H new ATOM 165 P DA A 6 1.361 7.848 17.849 1.00 0.00 P ATOM 166 OP1 DA A 6 1.850 9.240 17.772 1.00 0.00 O ATOM 167 OP2 DA A 6 2.054 6.846 18.687 1.00 0.00 O ATOM 168 O5' DA A 6 -0.174 7.858 18.299 1.00 0.00 O ATOM 169 C5' DA A 6 -1.145 8.659 17.646 1.00 0.00 C ATOM 170 C4' DA A 6 -2.555 8.089 17.868 1.00 0.00 C ATOM 171 O4' DA A 6 -2.608 6.792 17.293 1.00 0.00 O ATOM 172 C3' DA A 6 -2.954 7.965 19.346 1.00 0.00 C ATOM 173 O3' DA A 6 -4.360 8.137 19.482 1.00 0.00 O ATOM 174 C2' DA A 6 -2.511 6.544 19.657 1.00 0.00 C ATOM 175 C1' DA A 6 -2.786 5.844 18.328 1.00 0.00 C ATOM 176 N9 DA A 6 -1.945 4.651 18.084 1.00 0.00 N ATOM 177 C8 DA A 6 -0.617 4.417 18.356 1.00 0.00 C ATOM 178 N7 DA A 6 -0.240 3.181 18.140 1.00 0.00 N ATOM 179 C5 DA A 6 -1.406 2.565 17.668 1.00 0.00 C ATOM 180 C6 DA A 6 -1.773 1.250 17.291 1.00 0.00 C ATOM 181 N6 DA A 6 -1.003 0.184 17.387 1.00 0.00 N ATOM 182 N1 DA A 6 -3.013 0.975 16.872 1.00 0.00 N ATOM 183 C2 DA A 6 -3.897 1.966 16.862 1.00 0.00 C ATOM 184 N3 DA A 6 -3.712 3.229 17.215 1.00 0.00 N ATOM 185 C4 DA A 6 -2.434 3.464 17.607 1.00 0.00 C ATOM 0 H5' DA A 6 -0.929 8.704 16.579 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.096 9.680 18.024 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.251 8.788 17.405 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.513 8.705 20.014 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.459 6.494 19.937 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.080 6.107 20.477 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.808 5.467 18.359 1.00 0.00 H new ATOM 0 H8 DA A 6 0.054 5.183 18.715 1.00 0.00 H new ATOM 0 H61 DA A 6 -1.353 -0.727 17.090 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.057 0.270 17.759 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.890 1.710 16.524 1.00 0.00 H new ATOM 197 P DC A 7 -5.118 8.032 20.909 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.341 8.860 20.842 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.125 8.266 21.981 1.00 0.00 O ATOM 200 O5' DC A 7 -5.561 6.476 20.959 1.00 0.00 O ATOM 201 C5' DC A 7 -6.610 6.002 20.130 1.00 0.00 C ATOM 202 C4' DC A 7 -6.866 4.493 20.249 1.00 0.00 C ATOM 203 O4' DC A 7 -5.714 3.746 19.860 1.00 0.00 O ATOM 204 C3' DC A 7 -7.272 4.037 21.657 1.00 0.00 C ATOM 205 O3' DC A 7 -8.461 3.267 21.554 1.00 0.00 O ATOM 206 C2' DC A 7 -6.082 3.204 22.073 1.00 0.00 C ATOM 207 C1' DC A 7 -5.548 2.659 20.758 1.00 0.00 C ATOM 208 N1 DC A 7 -4.118 2.248 20.857 1.00 0.00 N ATOM 209 C2 DC A 7 -3.770 0.899 20.696 1.00 0.00 C ATOM 210 O2 DC A 7 -4.615 0.025 20.513 1.00 0.00 O ATOM 211 N3 DC A 7 -2.467 0.520 20.759 1.00 0.00 N ATOM 212 C4 DC A 7 -1.542 1.423 21.028 1.00 0.00 C ATOM 213 N4 DC A 7 -0.297 1.015 21.014 1.00 0.00 N ATOM 214 C5 DC A 7 -1.847 2.790 21.285 1.00 0.00 C ATOM 215 C6 DC A 7 -3.148 3.167 21.177 1.00 0.00 C ATOM 0 H5' DC A 7 -6.375 6.240 19.092 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.527 6.537 20.380 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.704 4.301 19.579 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.487 4.832 22.371 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.334 3.804 22.591 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.372 2.401 22.751 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.070 1.756 20.440 1.00 0.00 H new ATOM 0 H41 DC A 7 0.457 1.672 21.215 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.082 0.041 20.802 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.077 3.497 21.554 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.422 4.198 21.344 1.00 0.00 H new ATOM 227 P DG A 8 -9.297 2.783 22.848 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.735 2.771 22.507 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.819 3.520 24.038 1.00 0.00 O ATOM 230 O5' DG A 8 -8.808 1.261 22.983 1.00 0.00 O ATOM 231 C5' DG A 8 -9.115 0.307 21.979 1.00 0.00 C ATOM 232 C4' DG A 8 -8.661 -1.094 22.398 1.00 0.00 C ATOM 233 O4' DG A 8 -7.245 -1.146 22.374 1.00 0.00 O ATOM 234 C3' DG A 8 -9.123 -1.458 23.821 1.00 0.00 C ATOM 235 O3' DG A 8 -9.554 -2.810 23.910 1.00 0.00 O ATOM 236 C2' DG A 8 -7.851 -1.280 24.638 1.00 0.00 C ATOM 237 C1' DG A 8 -6.799 -1.671 23.606 1.00 0.00 C ATOM 238 N9 DG A 8 -5.444 -1.167 23.905 1.00 0.00 N ATOM 239 C8 DG A 8 -5.033 0.108 24.207 1.00 0.00 C ATOM 240 N7 DG A 8 -3.735 0.242 24.273 1.00 0.00 N ATOM 241 C5 DG A 8 -3.251 -1.051 24.040 1.00 0.00 C ATOM 242 C6 DG A 8 -1.916 -1.584 23.976 1.00 0.00 C ATOM 243 O6 DG A 8 -0.830 -1.012 24.059 1.00 0.00 O ATOM 244 N1 DG A 8 -1.884 -2.957 23.797 1.00 0.00 N ATOM 245 C2 DG A 8 -2.989 -3.739 23.672 1.00 0.00 C ATOM 246 N2 DG A 8 -2.802 -5.024 23.481 1.00 0.00 N ATOM 247 N3 DG A 8 -4.239 -3.283 23.704 1.00 0.00 N ATOM 248 C4 DG A 8 -4.303 -1.928 23.880 1.00 0.00 C ATOM 0 H5' DG A 8 -8.628 0.587 21.045 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.189 0.304 21.791 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.105 -1.802 21.699 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.967 -0.852 24.150 1.00 0.00 H new ATOM 0 H2' DG A 8 -7.725 -0.256 24.991 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.829 -1.925 25.517 1.00 0.00 H new ATOM 0 HO3' DG A 8 -9.838 -3.003 24.828 1.00 0.00 H new ATOM 0 H1' DG A 8 -6.700 -2.757 23.599 1.00 0.00 H new ATOM 0 H8 DG A 8 -5.719 0.925 24.375 1.00 0.00 H new ATOM 0 H1 DG A 8 -0.972 -3.411 23.756 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.604 -5.647 23.382 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.855 -5.400 23.432 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 5.566 -8.121 23.431 1.00 0.00 O ATOM 263 C5' DC B 9 4.835 -9.209 23.962 1.00 0.00 C ATOM 264 C4' DC B 9 3.364 -9.123 23.532 1.00 0.00 C ATOM 265 O4' DC B 9 2.868 -7.816 23.803 1.00 0.00 O ATOM 266 C3' DC B 9 3.134 -9.405 22.042 1.00 0.00 C ATOM 267 O3' DC B 9 2.099 -10.370 21.957 1.00 0.00 O ATOM 268 C2' DC B 9 2.723 -8.045 21.488 1.00 0.00 C ATOM 269 C1' DC B 9 2.063 -7.412 22.710 1.00 0.00 C ATOM 270 N1 DC B 9 1.978 -5.921 22.694 1.00 0.00 N ATOM 271 C2 DC B 9 0.769 -5.317 23.065 1.00 0.00 C ATOM 272 O2 DC B 9 -0.242 -5.977 23.295 1.00 0.00 O ATOM 273 N3 DC B 9 0.687 -3.969 23.199 1.00 0.00 N ATOM 274 C4 DC B 9 1.747 -3.225 22.932 1.00 0.00 C ATOM 275 N4 DC B 9 1.612 -1.933 23.109 1.00 0.00 N ATOM 276 C5 DC B 9 2.999 -3.780 22.536 1.00 0.00 C ATOM 277 C6 DC B 9 3.078 -5.132 22.433 1.00 0.00 C ATOM 0 H5' DC B 9 4.904 -9.206 25.050 1.00 0.00 H new ATOM 0 H5'' DC B 9 5.267 -10.149 23.618 1.00 0.00 H new ATOM 0 H4' DC B 9 2.842 -9.892 24.101 1.00 0.00 H new ATOM 0 H3' DC B 9 3.987 -9.802 21.492 1.00 0.00 H new ATOM 0 H2' DC B 9 3.579 -7.468 21.138 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.034 -8.134 20.648 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.952 -7.388 23.218 1.00 0.00 H new ATOM 0 H1' DC B 9 1.025 -7.740 22.754 1.00 0.00 H new ATOM 0 H41 DC B 9 2.395 -1.308 22.920 1.00 0.00 H new ATOM 0 H42 DC B 9 0.724 -1.553 23.436 1.00 0.00 H new ATOM 0 H5 DC B 9 3.851 -3.150 22.326 1.00 0.00 H new ATOM 0 H6 DC B 9 4.011 -5.593 22.144 1.00 0.00 H new ATOM 290 P DG B 10 1.683 -11.066 20.564 1.00 0.00 P ATOM 291 OP1 DG B 10 1.208 -12.433 20.863 1.00 0.00 O ATOM 292 OP2 DG B 10 2.778 -10.851 19.594 1.00 0.00 O ATOM 293 O5' DG B 10 0.422 -10.168 20.126 1.00 0.00 O ATOM 294 C5' DG B 10 -0.810 -10.259 20.823 1.00 0.00 C ATOM 295 C4' DG B 10 -1.913 -9.385 20.208 1.00 0.00 C ATOM 296 O4' DG B 10 -1.704 -8.034 20.605 1.00 0.00 O ATOM 297 C3' DG B 10 -1.978 -9.427 18.670 1.00 0.00 C ATOM 298 O3' DG B 10 -3.347 -9.428 18.278 1.00 0.00 O ATOM 299 C2' DG B 10 -1.249 -8.136 18.327 1.00 0.00 C ATOM 300 C1' DG B 10 -1.745 -7.226 19.446 1.00 0.00 C ATOM 301 N9 DG B 10 -0.926 -6.008 19.626 1.00 0.00 N ATOM 302 C8 DG B 10 0.408 -5.816 19.365 1.00 0.00 C ATOM 303 N7 DG B 10 0.830 -4.603 19.595 1.00 0.00 N ATOM 304 C5 DG B 10 -0.325 -3.916 19.982 1.00 0.00 C ATOM 305 C6 DG B 10 -0.560 -2.524 20.254 1.00 0.00 C ATOM 306 O6 DG B 10 0.230 -1.581 20.245 1.00 0.00 O ATOM 307 N1 DG B 10 -1.887 -2.232 20.506 1.00 0.00 N ATOM 308 C2 DG B 10 -2.894 -3.142 20.434 1.00 0.00 C ATOM 309 N2 DG B 10 -4.125 -2.688 20.499 1.00 0.00 N ATOM 310 N3 DG B 10 -2.711 -4.446 20.227 1.00 0.00 N ATOM 311 C4 DG B 10 -1.405 -4.772 19.995 1.00 0.00 C ATOM 0 H5' DG B 10 -0.657 -9.964 21.861 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.140 -11.298 20.832 1.00 0.00 H new ATOM 0 H4' DG B 10 -2.857 -9.789 20.574 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.541 -10.295 18.176 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.166 -8.256 18.341 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.515 -7.760 17.339 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.741 -6.848 19.218 1.00 0.00 H new ATOM 0 H8 DG B 10 1.053 -6.602 19.000 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.126 -1.274 20.762 1.00 0.00 H new ATOM 0 H21 DG B 10 -4.911 -3.336 20.449 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.295 -1.687 20.600 1.00 0.00 H new ATOM 323 P DT B 11 -3.845 -9.330 16.737 1.00 0.00 P ATOM 324 OP1 DT B 11 -5.008 -10.228 16.571 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.678 -9.447 15.837 1.00 0.00 O ATOM 326 O5' DT B 11 -4.371 -7.806 16.676 1.00 0.00 O ATOM 327 C5' DT B 11 -5.502 -7.411 17.436 1.00 0.00 C ATOM 328 C4' DT B 11 -5.703 -5.893 17.478 1.00 0.00 C ATOM 329 O4' DT B 11 -4.514 -5.236 17.910 1.00 0.00 O ATOM 330 C3' DT B 11 -6.244 -5.233 16.219 1.00 0.00 C ATOM 331 O3' DT B 11 -7.144 -4.241 16.669 1.00 0.00 O ATOM 332 C2' DT B 11 -4.999 -4.571 15.733 1.00 0.00 C ATOM 333 C1' DT B 11 -4.126 -4.276 16.945 1.00 0.00 C ATOM 334 N1 DT B 11 -2.658 -4.349 16.686 1.00 0.00 N ATOM 335 C2 DT B 11 -1.880 -3.248 17.063 1.00 0.00 C ATOM 336 O2 DT B 11 -2.332 -2.227 17.567 1.00 0.00 O ATOM 337 N3 DT B 11 -0.532 -3.303 16.790 1.00 0.00 N ATOM 338 C4 DT B 11 0.091 -4.275 16.047 1.00 0.00 C ATOM 339 O4 DT B 11 1.260 -4.093 15.716 1.00 0.00 O ATOM 340 C5 DT B 11 -0.759 -5.412 15.707 1.00 0.00 C ATOM 341 C7 DT B 11 -0.165 -6.586 14.956 1.00 0.00 C ATOM 342 C6 DT B 11 -2.080 -5.421 16.036 1.00 0.00 C ATOM 0 H5' DT B 11 -5.395 -7.785 18.454 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.394 -7.877 17.017 1.00 0.00 H new ATOM 0 H4' DT B 11 -6.505 -5.766 18.205 1.00 0.00 H new ATOM 0 H3' DT B 11 -6.739 -5.870 15.486 1.00 0.00 H new ATOM 0 H2' DT B 11 -4.472 -5.217 15.031 1.00 0.00 H new ATOM 0 H2'' DT B 11 -5.238 -3.650 15.201 1.00 0.00 H new ATOM 0 H1' DT B 11 -4.278 -3.246 17.267 1.00 0.00 H new ATOM 0 H3 DT B 11 0.053 -2.560 17.172 1.00 0.00 H new ATOM 0 H71 DT B 11 0.648 -6.237 14.319 1.00 0.00 H new ATOM 0 H72 DT B 11 0.220 -7.316 15.668 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.935 -7.051 14.340 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.685 -6.280 15.785 1.00 0.00 H new ATOM 355 P DT B 12 -8.464 -3.721 15.913 1.00 0.00 P ATOM 356 OP1 DT B 12 -9.082 -2.684 16.764 1.00 0.00 O ATOM 357 OP2 DT B 12 -9.242 -4.941 15.601 1.00 0.00 O ATOM 358 O5' DT B 12 -8.101 -3.037 14.490 1.00 0.00 O ATOM 359 C5' DT B 12 -9.133 -2.951 13.509 1.00 0.00 C ATOM 360 C4' DT B 12 -8.972 -1.842 12.440 1.00 0.00 C ATOM 361 O4' DT B 12 -8.098 -0.871 12.998 1.00 0.00 O ATOM 362 C3' DT B 12 -8.397 -2.134 11.045 1.00 0.00 C ATOM 363 O3' DT B 12 -9.233 -1.421 10.136 1.00 0.00 O ATOM 364 C2' DT B 12 -6.971 -1.606 11.040 1.00 0.00 C ATOM 365 C1' DT B 12 -6.809 -0.941 12.411 1.00 0.00 C ATOM 366 N1 DT B 12 -5.711 -1.481 13.302 1.00 0.00 N ATOM 367 C2 DT B 12 -5.162 -0.581 14.229 1.00 0.00 C ATOM 368 O2 DT B 12 -5.714 0.454 14.590 1.00 0.00 O ATOM 369 N3 DT B 12 -3.891 -0.857 14.702 1.00 0.00 N ATOM 370 C4 DT B 12 -3.051 -1.837 14.212 1.00 0.00 C ATOM 371 O4 DT B 12 -1.878 -1.859 14.570 1.00 0.00 O ATOM 372 C5 DT B 12 -3.688 -2.776 13.296 1.00 0.00 C ATOM 373 C7 DT B 12 -2.879 -3.891 12.636 1.00 0.00 C ATOM 374 C6 DT B 12 -4.999 -2.628 12.971 1.00 0.00 C ATOM 0 H5' DT B 12 -10.082 -2.796 14.023 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.201 -3.912 12.998 1.00 0.00 H new ATOM 0 H4' DT B 12 -10.010 -1.581 12.234 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.374 -3.189 10.773 1.00 0.00 H new ATOM 0 H2' DT B 12 -6.249 -2.411 10.900 1.00 0.00 H new ATOM 0 H2'' DT B 12 -6.814 -0.893 10.231 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.416 0.065 12.265 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.546 -0.290 15.476 1.00 0.00 H new ATOM 0 H71 DT B 12 -3.525 -4.749 12.451 1.00 0.00 H new ATOM 0 H72 DT B 12 -2.471 -3.534 11.691 1.00 0.00 H new ATOM 0 H73 DT B 12 -2.063 -4.187 13.295 1.00 0.00 H new ATOM 0 H6 DT B 12 -5.502 -3.423 12.441 1.00 0.00 H new ATOM 387 P DG B 13 -9.064 -1.450 8.526 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.412 -1.390 7.920 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.135 -2.542 8.167 1.00 0.00 O ATOM 390 O5' DG B 13 -8.321 -0.049 8.233 1.00 0.00 O ATOM 391 C5' DG B 13 -8.906 1.185 8.623 1.00 0.00 C ATOM 392 C4' DG B 13 -7.927 2.364 8.511 1.00 0.00 C ATOM 393 O4' DG B 13 -6.709 2.009 9.162 1.00 0.00 O ATOM 394 C3' DG B 13 -7.600 2.805 7.076 1.00 0.00 C ATOM 395 O3' DG B 13 -7.452 4.219 7.034 1.00 0.00 O ATOM 396 C2' DG B 13 -6.303 2.073 6.836 1.00 0.00 C ATOM 397 C1' DG B 13 -5.658 2.045 8.213 1.00 0.00 C ATOM 398 N9 DG B 13 -4.756 0.878 8.303 1.00 0.00 N ATOM 399 C8 DG B 13 -5.010 -0.451 8.056 1.00 0.00 C ATOM 400 N7 DG B 13 -3.950 -1.212 8.106 1.00 0.00 N ATOM 401 C5 DG B 13 -2.910 -0.319 8.382 1.00 0.00 C ATOM 402 C6 DG B 13 -1.498 -0.517 8.578 1.00 0.00 C ATOM 403 O6 DG B 13 -0.846 -1.560 8.617 1.00 0.00 O ATOM 404 N1 DG B 13 -0.808 0.669 8.771 1.00 0.00 N ATOM 405 C2 DG B 13 -1.396 1.891 8.872 1.00 0.00 C ATOM 406 N2 DG B 13 -0.637 2.921 9.144 1.00 0.00 N ATOM 407 N3 DG B 13 -2.698 2.110 8.717 1.00 0.00 N ATOM 408 C4 DG B 13 -3.401 0.965 8.477 1.00 0.00 C ATOM 0 H5' DG B 13 -9.259 1.107 9.651 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.779 1.382 8.001 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.426 3.211 8.981 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.357 2.581 6.325 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.474 1.068 6.451 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.677 2.591 6.109 1.00 0.00 H new ATOM 0 H1' DG B 13 -5.044 2.925 8.406 1.00 0.00 H new ATOM 0 H8 DG B 13 -5.998 -0.831 7.840 1.00 0.00 H new ATOM 0 H1 DG B 13 0.208 0.622 8.842 1.00 0.00 H new ATOM 0 H21 DG B 13 -1.049 3.851 9.226 1.00 0.00 H new ATOM 0 H22 DG B 13 0.367 2.795 9.274 1.00 0.00 H new ATOM 420 P DT B 14 -7.143 5.032 5.667 1.00 0.00 P ATOM 421 OP1 DT B 14 -8.002 6.236 5.646 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.170 4.084 4.532 1.00 0.00 O ATOM 423 O5' DT B 14 -5.614 5.506 5.871 1.00 0.00 O ATOM 424 C5' DT B 14 -5.272 6.439 6.887 1.00 0.00 C ATOM 425 C4' DT B 14 -3.797 6.870 6.849 1.00 0.00 C ATOM 426 O4' DT B 14 -2.959 5.743 7.073 1.00 0.00 O ATOM 427 C3' DT B 14 -3.368 7.530 5.533 1.00 0.00 C ATOM 428 O3' DT B 14 -2.476 8.600 5.821 1.00 0.00 O ATOM 429 C2' DT B 14 -2.690 6.380 4.808 1.00 0.00 C ATOM 430 C1' DT B 14 -2.085 5.586 5.967 1.00 0.00 C ATOM 431 N1 DT B 14 -1.915 4.136 5.676 1.00 0.00 N ATOM 432 C2 DT B 14 -0.668 3.556 5.933 1.00 0.00 C ATOM 433 O2 DT B 14 0.311 4.184 6.323 1.00 0.00 O ATOM 434 N3 DT B 14 -0.562 2.198 5.727 1.00 0.00 N ATOM 435 C4 DT B 14 -1.567 1.376 5.263 1.00 0.00 C ATOM 436 O4 DT B 14 -1.335 0.177 5.141 1.00 0.00 O ATOM 437 C5 DT B 14 -2.829 2.047 4.968 1.00 0.00 C ATOM 438 C7 DT B 14 -3.999 1.250 4.410 1.00 0.00 C ATOM 439 C6 DT B 14 -2.965 3.380 5.192 1.00 0.00 C ATOM 0 H5' DT B 14 -5.490 6.000 7.861 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.903 7.322 6.787 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.692 7.617 7.635 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.171 7.971 4.942 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.400 5.785 4.233 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.928 6.729 4.111 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.083 5.970 6.161 1.00 0.00 H new ATOM 0 H3 DT B 14 0.337 1.763 5.936 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.622 0.416 3.819 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.604 0.868 5.232 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.610 1.895 3.779 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.912 3.858 4.988 1.00 0.00 H new ATOM 452 P DA B 15 -1.854 9.547 4.667 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.582 10.875 5.258 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.701 9.432 3.460 1.00 0.00 O ATOM 455 O5' DA B 15 -0.442 8.828 4.363 1.00 0.00 O ATOM 456 C5' DA B 15 0.617 8.885 5.305 1.00 0.00 C ATOM 457 C4' DA B 15 1.877 8.154 4.824 1.00 0.00 C ATOM 458 O4' DA B 15 1.644 6.750 4.800 1.00 0.00 O ATOM 459 C3' DA B 15 2.341 8.584 3.425 1.00 0.00 C ATOM 460 O3' DA B 15 3.723 8.913 3.472 1.00 0.00 O ATOM 461 C2' DA B 15 2.069 7.334 2.606 1.00 0.00 C ATOM 462 C1' DA B 15 2.239 6.218 3.635 1.00 0.00 C ATOM 463 N9 DA B 15 1.560 4.955 3.252 1.00 0.00 N ATOM 464 C8 DA B 15 0.282 4.786 2.776 1.00 0.00 C ATOM 465 N7 DA B 15 -0.060 3.545 2.564 1.00 0.00 N ATOM 466 C5 DA B 15 1.093 2.837 2.921 1.00 0.00 C ATOM 467 C6 DA B 15 1.435 1.465 2.953 1.00 0.00 C ATOM 468 N6 DA B 15 0.591 0.493 2.654 1.00 0.00 N ATOM 469 N1 DA B 15 2.663 1.076 3.311 1.00 0.00 N ATOM 470 C2 DA B 15 3.540 2.015 3.654 1.00 0.00 C ATOM 471 N3 DA B 15 3.357 3.333 3.689 1.00 0.00 N ATOM 472 C4 DA B 15 2.093 3.686 3.317 1.00 0.00 C ATOM 0 H5' DA B 15 0.285 8.447 6.246 1.00 0.00 H new ATOM 0 H5'' DA B 15 0.862 9.928 5.508 1.00 0.00 H new ATOM 0 H4' DA B 15 2.663 8.419 5.531 1.00 0.00 H new ATOM 0 H3' DA B 15 1.845 9.464 3.016 1.00 0.00 H new ATOM 0 H2' DA B 15 1.067 7.341 2.177 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.770 7.232 1.777 1.00 0.00 H new ATOM 0 H1' DA B 15 3.288 5.946 3.748 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.386 5.614 2.592 1.00 0.00 H new ATOM 0 H61 DA B 15 0.897 -0.479 2.696 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.367 0.715 2.382 1.00 0.00 H new ATOM 0 H2 DA B 15 4.521 1.665 3.939 1.00 0.00 H new ATOM 484 P DC B 16 4.504 9.536 2.202 1.00 0.00 P ATOM 485 OP1 DC B 16 5.572 10.435 2.688 1.00 0.00 O ATOM 486 OP2 DC B 16 3.515 10.018 1.214 1.00 0.00 O ATOM 487 O5' DC B 16 5.198 8.220 1.598 1.00 0.00 O ATOM 488 C5' DC B 16 6.321 7.640 2.236 1.00 0.00 C ATOM 489 C4' DC B 16 6.769 6.367 1.513 1.00 0.00 C ATOM 490 O4' DC B 16 5.913 5.286 1.817 1.00 0.00 O ATOM 491 C3' DC B 16 6.767 6.478 -0.014 1.00 0.00 C ATOM 492 O3' DC B 16 7.949 7.079 -0.510 1.00 0.00 O ATOM 493 C2' DC B 16 6.678 5.012 -0.418 1.00 0.00 C ATOM 494 C1' DC B 16 6.030 4.320 0.789 1.00 0.00 C ATOM 495 N1 DC B 16 4.680 3.793 0.468 1.00 0.00 N ATOM 496 C2 DC B 16 4.493 2.409 0.406 1.00 0.00 C ATOM 497 O2 DC B 16 5.409 1.623 0.644 1.00 0.00 O ATOM 498 N3 DC B 16 3.285 1.903 0.062 1.00 0.00 N ATOM 499 C4 DC B 16 2.287 2.728 -0.199 1.00 0.00 C ATOM 500 N4 DC B 16 1.136 2.163 -0.460 1.00 0.00 N ATOM 501 C5 DC B 16 2.425 4.149 -0.165 1.00 0.00 C ATOM 502 C6 DC B 16 3.644 4.646 0.176 1.00 0.00 C ATOM 0 H5' DC B 16 6.074 7.406 3.272 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.141 8.357 2.258 1.00 0.00 H new ATOM 0 H4' DC B 16 7.789 6.210 1.864 1.00 0.00 H new ATOM 0 H3' DC B 16 5.967 7.106 -0.407 1.00 0.00 H new ATOM 0 H2' DC B 16 6.077 4.884 -1.319 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.664 4.598 -0.631 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.906 7.128 -1.488 1.00 0.00 H new ATOM 0 H1' DC B 16 6.649 3.475 1.089 1.00 0.00 H new ATOM 0 H41 DC B 16 0.321 2.739 -0.671 1.00 0.00 H new ATOM 0 H42 DC B 16 1.054 1.146 -0.453 1.00 0.00 H new ATOM 0 H5 DC B 16 1.597 4.801 -0.400 1.00 0.00 H new ATOM 0 H6 DC B 16 3.798 5.714 0.217 1.00 0.00 H new TER 515 DC B 16