USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=6 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 150:sc= -0.345 (180deg=-0.345) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 24:sc= 0.062 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.223 (180deg=-1.22) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.569 (180deg=-2.51!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.397 -7.262 -2.638 1.00 0.00 O ATOM 2 C5' DG A 1 1.648 -7.757 -3.096 1.00 0.00 C ATOM 3 C4' DG A 1 2.843 -7.273 -2.252 1.00 0.00 C ATOM 4 O4' DG A 1 3.022 -5.868 -2.416 1.00 0.00 O ATOM 5 C3' DG A 1 2.707 -7.566 -0.753 1.00 0.00 C ATOM 6 O3' DG A 1 3.969 -7.960 -0.238 1.00 0.00 O ATOM 7 C2' DG A 1 2.241 -6.230 -0.231 1.00 0.00 C ATOM 8 C1' DG A 1 2.935 -5.236 -1.146 1.00 0.00 C ATOM 9 N9 DG A 1 2.146 -3.990 -1.238 1.00 0.00 N ATOM 10 C8 DG A 1 0.850 -3.838 -1.653 1.00 0.00 C ATOM 11 N7 DG A 1 0.421 -2.607 -1.644 1.00 0.00 N ATOM 12 C5 DG A 1 1.508 -1.883 -1.142 1.00 0.00 C ATOM 13 C6 DG A 1 1.685 -0.479 -0.883 1.00 0.00 C ATOM 14 O6 DG A 1 0.917 0.463 -1.081 1.00 0.00 O ATOM 15 N1 DG A 1 2.926 -0.179 -0.350 1.00 0.00 N ATOM 16 C2 DG A 1 3.893 -1.104 -0.091 1.00 0.00 C ATOM 17 N2 DG A 1 5.009 -0.677 0.445 1.00 0.00 N ATOM 18 N3 DG A 1 3.772 -2.408 -0.332 1.00 0.00 N ATOM 19 C4 DG A 1 2.558 -2.735 -0.863 1.00 0.00 C ATOM 0 H5' DG A 1 1.795 -7.449 -4.131 1.00 0.00 H new ATOM 0 H5'' DG A 1 1.624 -8.847 -3.088 1.00 0.00 H new ATOM 0 H4' DG A 1 3.704 -7.832 -2.619 1.00 0.00 H new ATOM 0 H3' DG A 1 2.029 -8.375 -0.481 1.00 0.00 H new ATOM 0 H2' DG A 1 1.156 -6.134 -0.282 1.00 0.00 H new ATOM 0 H2'' DG A 1 2.525 -6.084 0.811 1.00 0.00 H new ATOM 0 HO5' DG A 1 -0.320 -7.602 -3.213 1.00 0.00 H new ATOM 0 H1' DG A 1 3.922 -4.964 -0.771 1.00 0.00 H new ATOM 0 H8 DG A 1 0.234 -4.669 -1.962 1.00 0.00 H new ATOM 0 H1 DG A 1 3.130 0.797 -0.137 1.00 0.00 H new ATOM 0 H21 DG A 1 5.759 -1.336 0.655 1.00 0.00 H new ATOM 0 H22 DG A 1 5.128 0.315 0.652 1.00 0.00 H new ATOM 32 P DT A 2 4.168 -8.443 1.291 1.00 0.00 P ATOM 33 OP1 DT A 2 5.234 -9.468 1.306 1.00 0.00 O ATOM 34 OP2 DT A 2 2.835 -8.749 1.852 1.00 0.00 O ATOM 35 O5' DT A 2 4.726 -7.114 2.014 1.00 0.00 O ATOM 36 C5' DT A 2 6.031 -6.624 1.743 1.00 0.00 C ATOM 37 C4' DT A 2 6.432 -5.442 2.641 1.00 0.00 C ATOM 38 O4' DT A 2 5.591 -4.325 2.377 1.00 0.00 O ATOM 39 C3' DT A 2 6.352 -5.743 4.144 1.00 0.00 C ATOM 40 O3' DT A 2 7.407 -5.048 4.794 1.00 0.00 O ATOM 41 C2' DT A 2 4.987 -5.164 4.493 1.00 0.00 C ATOM 42 C1' DT A 2 4.982 -3.923 3.595 1.00 0.00 C ATOM 43 N1 DT A 2 3.649 -3.332 3.301 1.00 0.00 N ATOM 44 C2 DT A 2 3.554 -1.936 3.269 1.00 0.00 C ATOM 45 O2 DT A 2 4.468 -1.177 3.578 1.00 0.00 O ATOM 46 N3 DT A 2 2.351 -1.411 2.851 1.00 0.00 N ATOM 47 C4 DT A 2 1.243 -2.129 2.457 1.00 0.00 C ATOM 48 O4 DT A 2 0.262 -1.516 2.050 1.00 0.00 O ATOM 49 C5 DT A 2 1.389 -3.579 2.562 1.00 0.00 C ATOM 50 C7 DT A 2 0.240 -4.500 2.182 1.00 0.00 C ATOM 51 C6 DT A 2 2.563 -4.122 2.976 1.00 0.00 C ATOM 0 H5' DT A 2 6.087 -6.314 0.699 1.00 0.00 H new ATOM 0 H5'' DT A 2 6.750 -7.432 1.874 1.00 0.00 H new ATOM 0 H4' DT A 2 7.474 -5.235 2.399 1.00 0.00 H new ATOM 0 H3' DT A 2 6.452 -6.790 4.431 1.00 0.00 H new ATOM 0 H2' DT A 2 4.172 -5.850 4.260 1.00 0.00 H new ATOM 0 H2'' DT A 2 4.900 -4.913 5.550 1.00 0.00 H new ATOM 0 H1' DT A 2 5.509 -3.132 4.128 1.00 0.00 H new ATOM 0 H3 DT A 2 2.273 -0.394 2.831 1.00 0.00 H new ATOM 0 H71 DT A 2 0.638 -5.445 1.813 1.00 0.00 H new ATOM 0 H72 DT A 2 -0.383 -4.685 3.057 1.00 0.00 H new ATOM 0 H73 DT A 2 -0.360 -4.030 1.403 1.00 0.00 H new ATOM 0 H6 DT A 2 2.650 -5.196 3.053 1.00 0.00 H new ATOM 64 P DA A 3 7.825 -5.331 6.328 1.00 0.00 P ATOM 65 OP1 DA A 3 9.195 -5.888 6.332 1.00 0.00 O ATOM 66 OP2 DA A 3 6.725 -6.053 6.998 1.00 0.00 O ATOM 67 O5' DA A 3 7.873 -3.843 6.943 1.00 0.00 O ATOM 68 C5' DA A 3 8.879 -2.923 6.554 1.00 0.00 C ATOM 69 C4' DA A 3 8.773 -1.565 7.267 1.00 0.00 C ATOM 70 O4' DA A 3 7.594 -0.881 6.869 1.00 0.00 O ATOM 71 C3' DA A 3 8.759 -1.635 8.797 1.00 0.00 C ATOM 72 O3' DA A 3 9.425 -0.470 9.267 1.00 0.00 O ATOM 73 C2' DA A 3 7.262 -1.667 9.098 1.00 0.00 C ATOM 74 C1' DA A 3 6.684 -0.828 7.957 1.00 0.00 C ATOM 75 N9 DA A 3 5.359 -1.272 7.469 1.00 0.00 N ATOM 76 C8 DA A 3 4.895 -2.539 7.213 1.00 0.00 C ATOM 77 N7 DA A 3 3.687 -2.578 6.712 1.00 0.00 N ATOM 78 C5 DA A 3 3.320 -1.227 6.661 1.00 0.00 C ATOM 79 C6 DA A 3 2.159 -0.522 6.264 1.00 0.00 C ATOM 80 N6 DA A 3 1.074 -1.114 5.792 1.00 0.00 N ATOM 81 N1 DA A 3 2.087 0.813 6.385 1.00 0.00 N ATOM 82 C2 DA A 3 3.152 1.442 6.880 1.00 0.00 C ATOM 83 N3 DA A 3 4.313 0.920 7.257 1.00 0.00 N ATOM 84 C4 DA A 3 4.331 -0.431 7.123 1.00 0.00 C ATOM 0 H5' DA A 3 8.820 -2.765 5.477 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.857 -3.357 6.759 1.00 0.00 H new ATOM 0 H4' DA A 3 9.679 -1.039 6.967 1.00 0.00 H new ATOM 0 H3' DA A 3 9.262 -2.479 9.268 1.00 0.00 H new ATOM 0 H2' DA A 3 6.868 -2.683 9.096 1.00 0.00 H new ATOM 0 H2'' DA A 3 7.034 -1.239 10.074 1.00 0.00 H new ATOM 0 H1' DA A 3 6.543 0.177 8.355 1.00 0.00 H new ATOM 0 H8 DA A 3 5.477 -3.427 7.409 1.00 0.00 H new ATOM 0 H61 DA A 3 0.265 -0.555 5.521 1.00 0.00 H new ATOM 0 H62 DA A 3 1.047 -2.129 5.699 1.00 0.00 H new ATOM 0 H2 DA A 3 3.059 2.513 6.988 1.00 0.00 H new ATOM 96 P DC A 4 9.635 -0.146 10.832 1.00 0.00 P ATOM 97 OP1 DC A 4 10.842 0.700 10.968 1.00 0.00 O ATOM 98 OP2 DC A 4 9.523 -1.409 11.592 1.00 0.00 O ATOM 99 O5' DC A 4 8.344 0.761 11.146 1.00 0.00 O ATOM 100 C5' DC A 4 8.216 2.069 10.607 1.00 0.00 C ATOM 101 C4' DC A 4 6.850 2.688 10.936 1.00 0.00 C ATOM 102 O4' DC A 4 5.839 1.965 10.234 1.00 0.00 O ATOM 103 C3' DC A 4 6.529 2.645 12.440 1.00 0.00 C ATOM 104 O3' DC A 4 5.960 3.857 12.904 1.00 0.00 O ATOM 105 C2' DC A 4 5.499 1.534 12.475 1.00 0.00 C ATOM 106 C1' DC A 4 4.786 1.718 11.140 1.00 0.00 C ATOM 107 N1 DC A 4 3.926 0.571 10.727 1.00 0.00 N ATOM 108 C2 DC A 4 2.740 0.831 10.033 1.00 0.00 C ATOM 109 O2 DC A 4 2.355 1.978 9.812 1.00 0.00 O ATOM 110 N3 DC A 4 1.962 -0.196 9.602 1.00 0.00 N ATOM 111 C4 DC A 4 2.289 -1.438 9.915 1.00 0.00 C ATOM 112 N4 DC A 4 1.554 -2.398 9.413 1.00 0.00 N ATOM 113 C5 DC A 4 3.403 -1.744 10.742 1.00 0.00 C ATOM 114 C6 DC A 4 4.202 -0.718 11.107 1.00 0.00 C ATOM 0 H5' DC A 4 8.347 2.031 9.526 1.00 0.00 H new ATOM 0 H5'' DC A 4 9.008 2.705 11.002 1.00 0.00 H new ATOM 0 H4' DC A 4 6.880 3.735 10.633 1.00 0.00 H new ATOM 0 H3' DC A 4 7.406 2.494 13.070 1.00 0.00 H new ATOM 0 H2' DC A 4 5.962 0.551 12.558 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.817 1.637 13.319 1.00 0.00 H new ATOM 0 H1' DC A 4 4.061 2.530 11.189 1.00 0.00 H new ATOM 0 H41 DC A 4 1.770 -3.371 9.628 1.00 0.00 H new ATOM 0 H42 DC A 4 0.765 -2.173 8.807 1.00 0.00 H new ATOM 0 H5 DC A 4 3.603 -2.755 11.065 1.00 0.00 H new ATOM 0 H6 DC A 4 5.076 -0.916 11.710 1.00 0.00 H new HETATM 126 P NCX A 5 5.791 4.157 14.485 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.799 5.160 14.882 1.00 0.00 O HETATM 128 OP2 NCX A 5 5.679 2.868 15.218 1.00 0.00 O HETATM 129 O5' NCX A 5 4.337 4.829 14.562 1.00 0.00 O HETATM 130 C5' NCX A 5 3.953 5.958 13.802 1.00 0.00 C HETATM 131 C4' NCX A 5 2.499 6.338 14.132 1.00 0.00 C HETATM 132 O4' NCX A 5 1.601 5.309 13.724 1.00 0.00 O HETATM 133 C1' NCX A 5 1.056 4.660 14.864 1.00 0.00 C HETATM 134 N9 NCX A 5 1.231 3.184 14.748 1.00 0.00 N HETATM 135 C8 NCX A 5 2.368 2.439 15.057 1.00 0.00 C HETATM 136 C7 NCX A 5 2.097 1.086 14.973 1.00 0.00 C HETATM 137 CO7 NCX A 5 3.065 0.009 15.253 1.00 0.00 C HETATM 138 O7 NCX A 5 2.843 -1.177 15.256 1.00 0.00 O HETATM 139 NH7 NCX A 5 4.314 0.403 15.528 1.00 0.00 N HETATM 140 C5 NCX A 5 0.712 1.005 14.650 1.00 0.00 C HETATM 141 C4 NCX A 5 0.247 2.284 14.508 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.083 2.536 14.183 1.00 0.00 C HETATM 143 C2 NCX A 5 -1.962 1.453 14.151 1.00 0.00 C HETATM 144 C1 NCX A 5 -1.508 0.139 14.379 1.00 0.00 C HETATM 145 N1 NCX A 5 -2.481 -0.984 14.504 1.00 0.00 N HETATM 146 O11 NCX A 5 -3.669 -0.709 14.472 1.00 0.00 O HETATM 147 O12 NCX A 5 -2.033 -2.112 14.631 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.131 -0.097 14.534 1.00 0.00 C HETATM 149 C3' NCX A 5 2.280 6.602 15.623 1.00 0.00 C HETATM 150 C2' NCX A 5 1.719 5.271 16.103 1.00 0.00 C HETATM 151 O3' NCX A 5 1.376 7.687 15.767 1.00 0.00 O HETATM 0 HH72 NCX A 5 5.034 -0.290 15.731 1.00 0.00 H new HETATM 0 HH71 NCX A 5 4.546 1.396 15.535 1.00 0.00 H new HETATM 0 H5'' NCX A 5 4.616 6.796 14.018 1.00 0.00 H new HETATM 0 H2'' NCX A 5 0.999 5.412 16.909 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.335 2.864 15.327 1.00 0.00 H new HETATM 0 H6 NCX A 5 0.265 -1.112 14.563 1.00 0.00 H new HETATM 0 H5' NCX A 5 4.050 5.742 12.738 1.00 0.00 H new HETATM 0 H4' NCX A 5 2.300 7.259 13.584 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.162 6.891 16.194 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.426 3.546 13.961 1.00 0.00 H new HETATM 0 H2' NCX A 5 2.507 4.625 16.490 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.018 1.627 13.946 1.00 0.00 H new HETATM 0 H1' NCX A 5 -0.020 4.815 14.947 1.00 0.00 H new ATOM 165 P DA A 6 0.947 8.285 17.206 1.00 0.00 P ATOM 166 OP1 DA A 6 0.804 9.752 17.079 1.00 0.00 O ATOM 167 OP2 DA A 6 1.819 7.708 18.250 1.00 0.00 O ATOM 168 O5' DA A 6 -0.517 7.649 17.387 1.00 0.00 O ATOM 169 C5' DA A 6 -1.569 7.994 16.502 1.00 0.00 C ATOM 170 C4' DA A 6 -2.895 7.319 16.875 1.00 0.00 C ATOM 171 O4' DA A 6 -2.759 5.906 16.772 1.00 0.00 O ATOM 172 C3' DA A 6 -3.376 7.652 18.291 1.00 0.00 C ATOM 173 O3' DA A 6 -4.793 7.755 18.266 1.00 0.00 O ATOM 174 C2' DA A 6 -2.848 6.462 19.083 1.00 0.00 C ATOM 175 C1' DA A 6 -2.880 5.323 18.059 1.00 0.00 C ATOM 176 N9 DA A 6 -1.800 4.319 18.241 1.00 0.00 N ATOM 177 C8 DA A 6 -0.505 4.494 18.675 1.00 0.00 C ATOM 178 N7 DA A 6 0.197 3.393 18.742 1.00 0.00 N ATOM 179 C5 DA A 6 -0.696 2.416 18.292 1.00 0.00 C ATOM 180 C6 DA A 6 -0.614 1.018 18.081 1.00 0.00 C ATOM 181 N6 DA A 6 0.466 0.281 18.311 1.00 0.00 N ATOM 182 N1 DA A 6 -1.666 0.350 17.603 1.00 0.00 N ATOM 183 C2 DA A 6 -2.782 1.025 17.337 1.00 0.00 C ATOM 184 N3 DA A 6 -3.003 2.326 17.494 1.00 0.00 N ATOM 185 C4 DA A 6 -1.908 2.973 17.978 1.00 0.00 C ATOM 0 H5' DA A 6 -1.293 7.710 15.487 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.702 9.076 16.505 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.637 7.704 16.176 1.00 0.00 H new ATOM 0 H3' DA A 6 -3.033 8.594 18.720 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.839 6.641 19.456 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.474 6.244 19.949 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.818 4.784 18.190 1.00 0.00 H new ATOM 0 H8 DA A 6 -0.102 5.461 18.938 1.00 0.00 H new ATOM 0 H61 DA A 6 0.445 -0.723 18.133 1.00 0.00 H new ATOM 0 H62 DA A 6 1.316 0.719 18.665 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.606 0.446 16.947 1.00 0.00 H new ATOM 197 P DC A 7 -5.683 8.023 19.587 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.878 8.800 19.197 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.799 8.506 20.671 1.00 0.00 O ATOM 200 O5' DC A 7 -6.146 6.521 19.936 1.00 0.00 O ATOM 201 C5' DC A 7 -7.021 5.822 19.065 1.00 0.00 C ATOM 202 C4' DC A 7 -7.212 4.356 19.469 1.00 0.00 C ATOM 203 O4' DC A 7 -5.971 3.660 19.360 1.00 0.00 O ATOM 204 C3' DC A 7 -7.732 4.152 20.902 1.00 0.00 C ATOM 205 O3' DC A 7 -8.696 3.113 20.872 1.00 0.00 O ATOM 206 C2' DC A 7 -6.449 3.779 21.613 1.00 0.00 C ATOM 207 C1' DC A 7 -5.814 2.895 20.539 1.00 0.00 C ATOM 208 N1 DC A 7 -4.384 2.565 20.793 1.00 0.00 N ATOM 209 C2 DC A 7 -3.962 1.235 20.668 1.00 0.00 C ATOM 210 O2 DC A 7 -4.726 0.344 20.303 1.00 0.00 O ATOM 211 N3 DC A 7 -2.684 0.893 20.973 1.00 0.00 N ATOM 212 C4 DC A 7 -1.854 1.821 21.414 1.00 0.00 C ATOM 213 N4 DC A 7 -0.625 1.442 21.658 1.00 0.00 N ATOM 214 C5 DC A 7 -2.234 3.186 21.564 1.00 0.00 C ATOM 215 C6 DC A 7 -3.503 3.521 21.231 1.00 0.00 C ATOM 0 H5' DC A 7 -6.628 5.866 18.049 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.990 6.321 19.054 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.969 3.968 18.787 1.00 0.00 H new ATOM 0 H3' DC A 7 -8.234 4.992 21.381 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.837 4.648 21.856 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.627 3.243 22.545 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.288 1.914 20.496 1.00 0.00 H new ATOM 0 H41 DC A 7 0.058 2.117 22.000 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.351 0.471 21.506 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.537 3.925 21.929 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.824 4.549 21.311 1.00 0.00 H new ATOM 227 P DG A 8 -9.575 2.683 22.153 1.00 0.00 P ATOM 228 OP1 DG A 8 -11.007 2.786 21.803 1.00 0.00 O ATOM 229 OP2 DG A 8 -9.050 3.349 23.364 1.00 0.00 O ATOM 230 O5' DG A 8 -9.188 1.129 22.237 1.00 0.00 O ATOM 231 C5' DG A 8 -9.524 0.244 21.180 1.00 0.00 C ATOM 232 C4' DG A 8 -9.244 -1.218 21.544 1.00 0.00 C ATOM 233 O4' DG A 8 -7.842 -1.425 21.586 1.00 0.00 O ATOM 234 C3' DG A 8 -9.827 -1.614 22.911 1.00 0.00 C ATOM 235 O3' DG A 8 -10.258 -2.967 22.934 1.00 0.00 O ATOM 236 C2' DG A 8 -8.630 -1.447 23.836 1.00 0.00 C ATOM 237 C1' DG A 8 -7.465 -1.775 22.904 1.00 0.00 C ATOM 238 N9 DG A 8 -6.219 -1.072 23.278 1.00 0.00 N ATOM 239 C8 DG A 8 -5.976 0.274 23.405 1.00 0.00 C ATOM 240 N7 DG A 8 -4.750 0.560 23.758 1.00 0.00 N ATOM 241 C5 DG A 8 -4.134 -0.692 23.874 1.00 0.00 C ATOM 242 C6 DG A 8 -2.791 -1.077 24.224 1.00 0.00 C ATOM 243 O6 DG A 8 -1.812 -0.384 24.494 1.00 0.00 O ATOM 244 N1 DG A 8 -2.610 -2.449 24.257 1.00 0.00 N ATOM 245 C2 DG A 8 -3.582 -3.359 23.975 1.00 0.00 C ATOM 246 N2 DG A 8 -3.257 -4.629 24.019 1.00 0.00 N ATOM 247 N3 DG A 8 -4.833 -3.044 23.650 1.00 0.00 N ATOM 248 C4 DG A 8 -5.042 -1.693 23.608 1.00 0.00 C ATOM 0 H5' DG A 8 -8.955 0.511 20.289 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.579 0.360 20.932 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.722 -1.834 20.782 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.701 -1.020 23.179 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.561 -0.435 24.236 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.675 -2.125 24.689 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.620 -3.180 23.819 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.253 -2.841 22.982 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.729 1.028 23.229 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.687 -2.801 24.509 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.957 -5.342 23.814 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.304 -4.904 24.258 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.675 -7.305 26.662 1.00 0.00 O ATOM 263 C5' DC B 9 3.757 -8.338 26.964 1.00 0.00 C ATOM 264 C4' DC B 9 2.537 -8.257 26.036 1.00 0.00 C ATOM 265 O4' DC B 9 2.024 -6.927 26.045 1.00 0.00 O ATOM 266 C3' DC B 9 2.835 -8.615 24.573 1.00 0.00 C ATOM 267 O3' DC B 9 1.781 -9.458 24.135 1.00 0.00 O ATOM 268 C2' DC B 9 2.822 -7.248 23.898 1.00 0.00 C ATOM 269 C1' DC B 9 1.710 -6.583 24.706 1.00 0.00 C ATOM 270 N1 DC B 9 1.570 -5.101 24.577 1.00 0.00 N ATOM 271 C2 DC B 9 0.277 -4.565 24.651 1.00 0.00 C ATOM 272 O2 DC B 9 -0.716 -5.283 24.749 1.00 0.00 O ATOM 273 N3 DC B 9 0.084 -3.222 24.616 1.00 0.00 N ATOM 274 C4 DC B 9 1.124 -2.424 24.459 1.00 0.00 C ATOM 275 N4 DC B 9 0.869 -1.139 24.430 1.00 0.00 N ATOM 276 C5 DC B 9 2.463 -2.909 24.367 1.00 0.00 C ATOM 277 C6 DC B 9 2.647 -4.253 24.431 1.00 0.00 C ATOM 0 H5' DC B 9 3.438 -8.257 28.003 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.242 -9.308 26.854 1.00 0.00 H new ATOM 0 H4' DC B 9 1.827 -8.988 26.422 1.00 0.00 H new ATOM 0 H3' DC B 9 3.767 -9.143 24.374 1.00 0.00 H new ATOM 0 H2' DC B 9 3.775 -6.727 23.988 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.590 -7.307 22.835 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.202 -6.562 26.233 1.00 0.00 H new ATOM 0 H1' DC B 9 0.747 -6.936 24.336 1.00 0.00 H new ATOM 0 H41 DC B 9 1.630 -0.471 24.311 1.00 0.00 H new ATOM 0 H42 DC B 9 -0.091 -0.807 24.526 1.00 0.00 H new ATOM 0 H5 DC B 9 3.298 -2.233 24.251 1.00 0.00 H new ATOM 0 H6 DC B 9 3.645 -4.661 24.367 1.00 0.00 H new ATOM 290 P DG B 10 1.754 -10.141 22.675 1.00 0.00 P ATOM 291 OP1 DG B 10 1.432 -11.572 22.853 1.00 0.00 O ATOM 292 OP2 DG B 10 2.974 -9.736 21.944 1.00 0.00 O ATOM 293 O5' DG B 10 0.484 -9.400 22.012 1.00 0.00 O ATOM 294 C5' DG B 10 -0.835 -9.694 22.453 1.00 0.00 C ATOM 295 C4' DG B 10 -1.930 -9.059 21.580 1.00 0.00 C ATOM 296 O4' DG B 10 -2.003 -7.671 21.868 1.00 0.00 O ATOM 297 C3' DG B 10 -1.717 -9.230 20.071 1.00 0.00 C ATOM 298 O3' DG B 10 -2.977 -9.430 19.443 1.00 0.00 O ATOM 299 C2' DG B 10 -1.099 -7.892 19.707 1.00 0.00 C ATOM 300 C1' DG B 10 -1.835 -6.956 20.661 1.00 0.00 C ATOM 301 N9 DG B 10 -1.084 -5.716 20.932 1.00 0.00 N ATOM 302 C8 DG B 10 0.243 -5.569 21.236 1.00 0.00 C ATOM 303 N7 DG B 10 0.621 -4.331 21.402 1.00 0.00 N ATOM 304 C5 DG B 10 -0.552 -3.596 21.182 1.00 0.00 C ATOM 305 C6 DG B 10 -0.814 -2.183 21.191 1.00 0.00 C ATOM 306 O6 DG B 10 -0.051 -1.243 21.405 1.00 0.00 O ATOM 307 N1 DG B 10 -2.134 -1.873 20.915 1.00 0.00 N ATOM 308 C2 DG B 10 -3.101 -2.794 20.652 1.00 0.00 C ATOM 309 N2 DG B 10 -4.305 -2.351 20.388 1.00 0.00 N ATOM 310 N3 DG B 10 -2.892 -4.109 20.620 1.00 0.00 N ATOM 311 C4 DG B 10 -1.599 -4.446 20.897 1.00 0.00 C ATOM 0 H5' DG B 10 -0.952 -9.346 23.479 1.00 0.00 H new ATOM 0 H5'' DG B 10 -0.973 -10.775 22.465 1.00 0.00 H new ATOM 0 H4' DG B 10 -2.854 -9.583 21.826 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.102 -10.078 19.770 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.021 -7.879 19.868 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.268 -7.631 18.662 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.782 -6.654 20.213 1.00 0.00 H new ATOM 0 H8 DG B 10 0.919 -6.406 21.330 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.400 -0.888 20.908 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.058 -3.009 20.186 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.490 -1.348 20.385 1.00 0.00 H new ATOM 323 P DT B 11 -3.124 -9.703 17.856 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.144 -10.759 17.672 1.00 0.00 O ATOM 325 OP2 DT B 11 -1.773 -9.872 17.281 1.00 0.00 O ATOM 326 O5' DT B 11 -3.727 -8.306 17.314 1.00 0.00 O ATOM 327 C5' DT B 11 -5.092 -7.976 17.534 1.00 0.00 C ATOM 328 C4' DT B 11 -5.531 -6.695 16.809 1.00 0.00 C ATOM 329 O4' DT B 11 -4.934 -5.586 17.465 1.00 0.00 O ATOM 330 C3' DT B 11 -5.212 -6.684 15.319 1.00 0.00 C ATOM 331 O3' DT B 11 -6.407 -6.377 14.616 1.00 0.00 O ATOM 332 C2' DT B 11 -4.222 -5.541 15.211 1.00 0.00 C ATOM 333 C1' DT B 11 -4.309 -4.758 16.513 1.00 0.00 C ATOM 334 N1 DT B 11 -3.001 -4.281 17.022 1.00 0.00 N ATOM 335 C2 DT B 11 -2.911 -2.930 17.354 1.00 0.00 C ATOM 336 O2 DT B 11 -3.861 -2.152 17.337 1.00 0.00 O ATOM 337 N3 DT B 11 -1.667 -2.464 17.695 1.00 0.00 N ATOM 338 C4 DT B 11 -0.506 -3.200 17.741 1.00 0.00 C ATOM 339 O4 DT B 11 0.529 -2.606 18.033 1.00 0.00 O ATOM 340 C5 DT B 11 -0.674 -4.626 17.438 1.00 0.00 C ATOM 341 C7 DT B 11 0.507 -5.586 17.499 1.00 0.00 C ATOM 342 C6 DT B 11 -1.901 -5.111 17.094 1.00 0.00 C ATOM 0 H5' DT B 11 -5.262 -7.856 18.604 1.00 0.00 H new ATOM 0 H5'' DT B 11 -5.717 -8.805 17.203 1.00 0.00 H new ATOM 0 H4' DT B 11 -6.618 -6.641 16.861 1.00 0.00 H new ATOM 0 H3' DT B 11 -4.825 -7.621 14.919 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.212 -5.919 15.054 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.460 -4.903 14.360 1.00 0.00 H new ATOM 0 H1' DT B 11 -4.884 -3.852 16.323 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.596 -1.476 17.938 1.00 0.00 H new ATOM 0 H71 DT B 11 1.424 -5.050 17.255 1.00 0.00 H new ATOM 0 H72 DT B 11 0.586 -6.002 18.503 1.00 0.00 H new ATOM 0 H73 DT B 11 0.357 -6.394 16.783 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.014 -6.162 16.874 1.00 0.00 H new ATOM 355 P DT B 12 -6.549 -6.545 13.016 1.00 0.00 P ATOM 356 OP1 DT B 12 -7.922 -7.010 12.726 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.382 -7.301 12.511 1.00 0.00 O ATOM 358 O5' DT B 12 -6.414 -5.028 12.508 1.00 0.00 O ATOM 359 C5' DT B 12 -7.336 -4.033 12.929 1.00 0.00 C ATOM 360 C4' DT B 12 -7.032 -2.676 12.285 1.00 0.00 C ATOM 361 O4' DT B 12 -5.695 -2.311 12.606 1.00 0.00 O ATOM 362 C3' DT B 12 -7.177 -2.686 10.755 1.00 0.00 C ATOM 363 O3' DT B 12 -7.760 -1.460 10.322 1.00 0.00 O ATOM 364 C2' DT B 12 -5.721 -2.796 10.325 1.00 0.00 C ATOM 365 C1' DT B 12 -5.043 -1.953 11.405 1.00 0.00 C ATOM 366 N1 DT B 12 -3.571 -2.158 11.497 1.00 0.00 N ATOM 367 C2 DT B 12 -2.761 -1.022 11.374 1.00 0.00 C ATOM 368 O2 DT B 12 -3.187 0.113 11.204 1.00 0.00 O ATOM 369 N3 DT B 12 -1.403 -1.200 11.509 1.00 0.00 N ATOM 370 C4 DT B 12 -0.787 -2.374 11.872 1.00 0.00 C ATOM 371 O4 DT B 12 0.408 -2.351 12.142 1.00 0.00 O ATOM 372 C5 DT B 12 -1.672 -3.532 11.947 1.00 0.00 C ATOM 373 C7 DT B 12 -1.062 -4.877 12.290 1.00 0.00 C ATOM 374 C6 DT B 12 -3.017 -3.401 11.762 1.00 0.00 C ATOM 0 H5' DT B 12 -7.300 -3.938 14.014 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.349 -4.341 12.670 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.758 -1.963 12.677 1.00 0.00 H new ATOM 0 H3' DT B 12 -7.813 -3.473 10.350 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.367 -3.827 10.322 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.554 -2.398 9.324 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.137 -0.892 11.174 1.00 0.00 H new ATOM 0 H3 DT B 12 -0.805 -0.395 11.325 1.00 0.00 H new ATOM 0 H71 DT B 12 -1.797 -5.486 12.816 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.760 -5.384 11.374 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.190 -4.729 12.928 1.00 0.00 H new ATOM 0 H6 DT B 12 -3.654 -4.271 11.822 1.00 0.00 H new ATOM 387 P DG B 13 -8.473 -1.299 8.875 1.00 0.00 P ATOM 388 OP1 DG B 13 -9.936 -1.258 9.083 1.00 0.00 O ATOM 389 OP2 DG B 13 -7.883 -2.287 7.949 1.00 0.00 O ATOM 390 O5' DG B 13 -7.986 0.159 8.384 1.00 0.00 O ATOM 391 C5' DG B 13 -8.477 1.346 8.986 1.00 0.00 C ATOM 392 C4' DG B 13 -7.549 2.550 8.757 1.00 0.00 C ATOM 393 O4' DG B 13 -6.259 2.223 9.264 1.00 0.00 O ATOM 394 C3' DG B 13 -7.383 3.030 7.304 1.00 0.00 C ATOM 395 O3' DG B 13 -7.284 4.450 7.300 1.00 0.00 O ATOM 396 C2' DG B 13 -6.108 2.334 6.905 1.00 0.00 C ATOM 397 C1' DG B 13 -5.321 2.230 8.201 1.00 0.00 C ATOM 398 N9 DG B 13 -4.487 1.010 8.166 1.00 0.00 N ATOM 399 C8 DG B 13 -4.838 -0.281 7.849 1.00 0.00 C ATOM 400 N7 DG B 13 -3.836 -1.113 7.797 1.00 0.00 N ATOM 401 C5 DG B 13 -2.738 -0.316 8.111 1.00 0.00 C ATOM 402 C6 DG B 13 -1.356 -0.647 8.281 1.00 0.00 C ATOM 403 O6 DG B 13 -0.796 -1.737 8.189 1.00 0.00 O ATOM 404 N1 DG B 13 -0.586 0.436 8.652 1.00 0.00 N ATOM 405 C2 DG B 13 -1.060 1.704 8.800 1.00 0.00 C ATOM 406 N2 DG B 13 -0.206 2.638 9.144 1.00 0.00 N ATOM 407 N3 DG B 13 -2.328 2.058 8.611 1.00 0.00 N ATOM 408 C4 DG B 13 -3.125 0.991 8.304 1.00 0.00 C ATOM 0 H5' DG B 13 -8.598 1.183 10.057 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.465 1.571 8.584 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.033 3.378 9.275 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.201 2.804 6.620 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.307 1.350 6.480 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.562 2.903 6.152 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.642 3.071 8.341 1.00 0.00 H new ATOM 0 H8 DG B 13 -5.858 -0.581 7.659 1.00 0.00 H new ATOM 0 H1 DG B 13 0.406 0.276 8.827 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.523 3.600 9.264 1.00 0.00 H new ATOM 0 H22 DG B 13 0.775 2.402 9.291 1.00 0.00 H new ATOM 420 P DT B 14 -7.003 5.324 5.965 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.792 6.570 6.060 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.140 4.447 4.782 1.00 0.00 O ATOM 423 O5' DT B 14 -5.441 5.701 6.133 1.00 0.00 O ATOM 424 C5' DT B 14 -5.012 6.514 7.217 1.00 0.00 C ATOM 425 C4' DT B 14 -3.529 6.905 7.146 1.00 0.00 C ATOM 426 O4' DT B 14 -2.711 5.746 7.258 1.00 0.00 O ATOM 427 C3' DT B 14 -3.145 7.651 5.862 1.00 0.00 C ATOM 428 O3' DT B 14 -2.281 8.730 6.198 1.00 0.00 O ATOM 429 C2' DT B 14 -2.451 6.561 5.056 1.00 0.00 C ATOM 430 C1' DT B 14 -1.837 5.676 6.145 1.00 0.00 C ATOM 431 N1 DT B 14 -1.677 4.249 5.749 1.00 0.00 N ATOM 432 C2 DT B 14 -0.437 3.635 5.962 1.00 0.00 C ATOM 433 O2 DT B 14 0.547 4.222 6.397 1.00 0.00 O ATOM 434 N3 DT B 14 -0.349 2.291 5.663 1.00 0.00 N ATOM 435 C4 DT B 14 -1.382 1.503 5.199 1.00 0.00 C ATOM 436 O4 DT B 14 -1.172 0.307 5.030 1.00 0.00 O ATOM 437 C5 DT B 14 -2.645 2.208 4.975 1.00 0.00 C ATOM 438 C7 DT B 14 -3.860 1.458 4.445 1.00 0.00 C ATOM 439 C6 DT B 14 -2.748 3.534 5.253 1.00 0.00 C ATOM 0 H5' DT B 14 -5.194 5.984 8.152 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.617 7.420 7.241 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.364 7.587 7.980 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.970 8.101 5.310 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.154 6.008 4.433 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.691 6.971 4.391 1.00 0.00 H new ATOM 0 H1' DT B 14 -0.832 6.041 6.356 1.00 0.00 H new ATOM 0 H3 DT B 14 0.557 1.842 5.796 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.531 0.632 3.814 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.439 1.067 5.281 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.480 2.137 3.860 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.687 4.039 5.082 1.00 0.00 H new ATOM 452 P DA B 15 -1.689 9.754 5.094 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.464 11.061 5.749 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.520 9.667 3.873 1.00 0.00 O ATOM 455 O5' DA B 15 -0.255 9.095 4.777 1.00 0.00 O ATOM 456 C5' DA B 15 0.758 9.061 5.770 1.00 0.00 C ATOM 457 C4' DA B 15 1.995 8.283 5.310 1.00 0.00 C ATOM 458 O4' DA B 15 1.633 6.927 5.071 1.00 0.00 O ATOM 459 C3' DA B 15 2.634 8.845 4.034 1.00 0.00 C ATOM 460 O3' DA B 15 4.026 9.034 4.247 1.00 0.00 O ATOM 461 C2' DA B 15 2.342 7.750 3.024 1.00 0.00 C ATOM 462 C1' DA B 15 2.269 6.491 3.888 1.00 0.00 C ATOM 463 N9 DA B 15 1.477 5.404 3.263 1.00 0.00 N ATOM 464 C8 DA B 15 0.257 5.491 2.635 1.00 0.00 C ATOM 465 N7 DA B 15 -0.235 4.349 2.240 1.00 0.00 N ATOM 466 C5 DA B 15 0.757 3.436 2.614 1.00 0.00 C ATOM 467 C6 DA B 15 0.896 2.035 2.494 1.00 0.00 C ATOM 468 N6 DA B 15 -0.033 1.245 1.981 1.00 0.00 N ATOM 469 N1 DA B 15 2.008 1.423 2.914 1.00 0.00 N ATOM 470 C2 DA B 15 2.968 2.169 3.450 1.00 0.00 C ATOM 471 N3 DA B 15 2.974 3.488 3.636 1.00 0.00 N ATOM 472 C4 DA B 15 1.819 4.070 3.205 1.00 0.00 C ATOM 0 H5' DA B 15 0.360 8.605 6.676 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.047 10.080 6.027 1.00 0.00 H new ATOM 0 H4' DA B 15 2.731 8.372 6.109 1.00 0.00 H new ATOM 0 H3' DA B 15 2.257 9.816 3.712 1.00 0.00 H new ATOM 0 H2' DA B 15 1.407 7.930 2.494 1.00 0.00 H new ATOM 0 H2'' DA B 15 3.126 7.677 2.271 1.00 0.00 H new ATOM 0 H1' DA B 15 3.261 6.068 4.046 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.254 6.430 2.481 1.00 0.00 H new ATOM 0 H61 DA B 15 0.128 0.240 1.922 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.910 1.641 1.644 1.00 0.00 H new ATOM 0 H2 DA B 15 3.852 1.641 3.775 1.00 0.00 H new ATOM 484 P DC B 16 4.980 9.730 3.144 1.00 0.00 P ATOM 485 OP1 DC B 16 6.065 10.458 3.838 1.00 0.00 O ATOM 486 OP2 DC B 16 4.139 10.423 2.145 1.00 0.00 O ATOM 487 O5' DC B 16 5.622 8.440 2.437 1.00 0.00 O ATOM 488 C5' DC B 16 6.608 7.670 3.101 1.00 0.00 C ATOM 489 C4' DC B 16 6.995 6.439 2.280 1.00 0.00 C ATOM 490 O4' DC B 16 5.990 5.448 2.354 1.00 0.00 O ATOM 491 C3' DC B 16 7.195 6.712 0.787 1.00 0.00 C ATOM 492 O3' DC B 16 8.488 7.211 0.500 1.00 0.00 O ATOM 493 C2' DC B 16 6.999 5.318 0.204 1.00 0.00 C ATOM 494 C1' DC B 16 6.124 4.591 1.236 1.00 0.00 C ATOM 495 N1 DC B 16 4.774 4.277 0.707 1.00 0.00 N ATOM 496 C2 DC B 16 4.437 2.942 0.468 1.00 0.00 C ATOM 497 O2 DC B 16 5.222 2.026 0.708 1.00 0.00 O ATOM 498 N3 DC B 16 3.229 2.630 -0.059 1.00 0.00 N ATOM 499 C4 DC B 16 2.371 3.597 -0.328 1.00 0.00 C ATOM 500 N4 DC B 16 1.205 3.211 -0.781 1.00 0.00 N ATOM 501 C5 DC B 16 2.666 4.979 -0.117 1.00 0.00 C ATOM 502 C6 DC B 16 3.885 5.278 0.405 1.00 0.00 C ATOM 0 H5' DC B 16 6.233 7.357 4.076 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.491 8.283 3.281 1.00 0.00 H new ATOM 0 H4' DC B 16 7.940 6.119 2.718 1.00 0.00 H new ATOM 0 H3' DC B 16 6.524 7.472 0.387 1.00 0.00 H new ATOM 0 H2' DC B 16 6.512 5.360 -0.770 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.952 4.809 0.063 1.00 0.00 H new ATOM 0 HO3' DC B 16 8.571 7.369 -0.464 1.00 0.00 H new ATOM 0 H1' DC B 16 6.599 3.645 1.496 1.00 0.00 H new ATOM 0 H41 DC B 16 0.492 3.904 -1.010 1.00 0.00 H new ATOM 0 H42 DC B 16 1.009 2.218 -0.905 1.00 0.00 H new ATOM 0 H5 DC B 16 1.952 5.752 -0.361 1.00 0.00 H new ATOM 0 H6 DC B 16 4.155 6.308 0.583 1.00 0.00 H new TER 515 DC B 16