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 29:sc= 0.0657 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.721 (180deg=-1.39) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 26:sc= 0.0628 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.427 (180deg=-0.981) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.722 (180deg=-2.29!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.880 -7.803 -2.632 1.00 0.00 O ATOM 2 C5' DG A 1 2.196 -8.324 -2.620 1.00 0.00 C ATOM 3 C4' DG A 1 3.077 -7.528 -1.650 1.00 0.00 C ATOM 4 O4' DG A 1 2.933 -6.130 -1.907 1.00 0.00 O ATOM 5 C3' DG A 1 2.738 -7.775 -0.173 1.00 0.00 C ATOM 6 O3' DG A 1 3.941 -8.079 0.512 1.00 0.00 O ATOM 7 C2' DG A 1 2.129 -6.457 0.242 1.00 0.00 C ATOM 8 C1' DG A 1 2.827 -5.458 -0.663 1.00 0.00 C ATOM 9 N9 DG A 1 2.035 -4.214 -0.790 1.00 0.00 N ATOM 10 C8 DG A 1 0.727 -4.070 -1.172 1.00 0.00 C ATOM 11 N7 DG A 1 0.318 -2.835 -1.243 1.00 0.00 N ATOM 12 C5 DG A 1 1.424 -2.097 -0.813 1.00 0.00 C ATOM 13 C6 DG A 1 1.620 -0.682 -0.646 1.00 0.00 C ATOM 14 O6 DG A 1 0.859 0.252 -0.897 1.00 0.00 O ATOM 15 N1 DG A 1 2.868 -0.366 -0.143 1.00 0.00 N ATOM 16 C2 DG A 1 3.827 -1.284 0.164 1.00 0.00 C ATOM 17 N2 DG A 1 4.948 -0.835 0.674 1.00 0.00 N ATOM 18 N3 DG A 1 3.692 -2.598 -0.002 1.00 0.00 N ATOM 19 C4 DG A 1 2.467 -2.943 -0.497 1.00 0.00 C ATOM 0 H5' DG A 1 2.620 -8.283 -3.624 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.176 -9.373 -2.326 1.00 0.00 H new ATOM 0 H4' DG A 1 4.098 -7.868 -1.820 1.00 0.00 H new ATOM 0 H3' DG A 1 2.063 -8.605 0.034 1.00 0.00 H new ATOM 0 H2' DG A 1 1.049 -6.448 0.096 1.00 0.00 H new ATOM 0 H2'' DG A 1 2.310 -6.243 1.295 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.905 -6.846 -2.423 1.00 0.00 H new ATOM 0 H1' DG A 1 3.798 -5.150 -0.276 1.00 0.00 H new ATOM 0 H8 DG A 1 0.088 -4.911 -1.396 1.00 0.00 H new ATOM 0 H1 DG A 1 3.085 0.619 0.008 1.00 0.00 H new ATOM 0 H21 DG A 1 5.694 -1.486 0.919 1.00 0.00 H new ATOM 0 H22 DG A 1 5.074 0.166 0.826 1.00 0.00 H new ATOM 32 P DT A 2 3.970 -8.519 2.064 1.00 0.00 P ATOM 33 OP1 DT A 2 4.914 -9.649 2.199 1.00 0.00 O ATOM 34 OP2 DT A 2 2.576 -8.645 2.540 1.00 0.00 O ATOM 35 O5' DT A 2 4.620 -7.219 2.754 1.00 0.00 O ATOM 36 C5' DT A 2 5.976 -6.868 2.521 1.00 0.00 C ATOM 37 C4' DT A 2 6.426 -5.647 3.339 1.00 0.00 C ATOM 38 O4' DT A 2 5.656 -4.512 2.962 1.00 0.00 O ATOM 39 C3' DT A 2 6.283 -5.829 4.857 1.00 0.00 C ATOM 40 O3' DT A 2 7.334 -5.119 5.495 1.00 0.00 O ATOM 41 C2' DT A 2 4.926 -5.187 5.105 1.00 0.00 C ATOM 42 C1' DT A 2 4.986 -4.020 4.112 1.00 0.00 C ATOM 43 N1 DT A 2 3.674 -3.445 3.711 1.00 0.00 N ATOM 44 C2 DT A 2 3.581 -2.053 3.600 1.00 0.00 C ATOM 45 O2 DT A 2 4.495 -1.279 3.871 1.00 0.00 O ATOM 46 N3 DT A 2 2.383 -1.548 3.145 1.00 0.00 N ATOM 47 C4 DT A 2 1.282 -2.289 2.770 1.00 0.00 C ATOM 48 O4 DT A 2 0.304 -1.698 2.324 1.00 0.00 O ATOM 49 C5 DT A 2 1.430 -3.733 2.937 1.00 0.00 C ATOM 50 C7 DT A 2 0.289 -4.675 2.580 1.00 0.00 C ATOM 51 C6 DT A 2 2.599 -4.253 3.393 1.00 0.00 C ATOM 0 H5' DT A 2 6.115 -6.660 1.460 1.00 0.00 H new ATOM 0 H5'' DT A 2 6.613 -7.718 2.765 1.00 0.00 H new ATOM 0 H4' DT A 2 7.486 -5.516 3.120 1.00 0.00 H new ATOM 0 H3' DT A 2 6.341 -6.853 5.227 1.00 0.00 H new ATOM 0 H2' DT A 2 4.101 -5.868 4.896 1.00 0.00 H new ATOM 0 H2'' DT A 2 4.808 -4.850 6.135 1.00 0.00 H new ATOM 0 H1' DT A 2 5.499 -3.195 4.607 1.00 0.00 H new ATOM 0 H3 DT A 2 2.303 -0.533 3.079 1.00 0.00 H new ATOM 0 H71 DT A 2 -0.663 -4.167 2.733 1.00 0.00 H new ATOM 0 H72 DT A 2 0.377 -4.974 1.536 1.00 0.00 H new ATOM 0 H73 DT A 2 0.335 -5.559 3.216 1.00 0.00 H new ATOM 0 H6 DT A 2 2.690 -5.323 3.510 1.00 0.00 H new ATOM 64 P DA A 3 7.690 -5.310 7.059 1.00 0.00 P ATOM 65 OP1 DA A 3 9.034 -5.920 7.152 1.00 0.00 O ATOM 66 OP2 DA A 3 6.538 -5.938 7.738 1.00 0.00 O ATOM 67 O5' DA A 3 7.782 -3.784 7.566 1.00 0.00 O ATOM 68 C5' DA A 3 8.843 -2.940 7.151 1.00 0.00 C ATOM 69 C4' DA A 3 8.731 -1.510 7.702 1.00 0.00 C ATOM 70 O4' DA A 3 7.599 -0.857 7.142 1.00 0.00 O ATOM 71 C3' DA A 3 8.618 -1.421 9.228 1.00 0.00 C ATOM 72 O3' DA A 3 9.348 -0.276 9.649 1.00 0.00 O ATOM 73 C2' DA A 3 7.112 -1.303 9.429 1.00 0.00 C ATOM 74 C1' DA A 3 6.646 -0.588 8.159 1.00 0.00 C ATOM 75 N9 DA A 3 5.312 -1.037 7.696 1.00 0.00 N ATOM 76 C8 DA A 3 4.841 -2.319 7.538 1.00 0.00 C ATOM 77 N7 DA A 3 3.627 -2.396 7.060 1.00 0.00 N ATOM 78 C5 DA A 3 3.260 -1.053 6.919 1.00 0.00 C ATOM 79 C6 DA A 3 2.096 -0.388 6.472 1.00 0.00 C ATOM 80 N6 DA A 3 1.019 -1.016 6.031 1.00 0.00 N ATOM 81 N1 DA A 3 2.017 0.949 6.498 1.00 0.00 N ATOM 82 C2 DA A 3 3.077 1.622 6.941 1.00 0.00 C ATOM 83 N3 DA A 3 4.245 1.138 7.349 1.00 0.00 N ATOM 84 C4 DA A 3 4.273 -0.222 7.315 1.00 0.00 C ATOM 0 H5' DA A 3 8.863 -2.902 6.062 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.790 -3.373 7.473 1.00 0.00 H new ATOM 0 H4' DA A 3 9.665 -1.026 7.417 1.00 0.00 H new ATOM 0 H3' DA A 3 9.023 -2.255 9.802 1.00 0.00 H new ATOM 0 H2' DA A 3 6.642 -2.281 9.536 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.869 -0.732 10.325 1.00 0.00 H new ATOM 0 H1' DA A 3 6.562 0.476 8.380 1.00 0.00 H new ATOM 0 H8 DA A 3 5.426 -3.191 7.788 1.00 0.00 H new ATOM 0 H61 DA A 3 0.208 -0.481 5.721 1.00 0.00 H new ATOM 0 H62 DA A 3 1.000 -2.035 6.001 1.00 0.00 H new ATOM 0 H2 DA A 3 2.974 2.697 6.973 1.00 0.00 H new ATOM 96 P DC A 4 9.476 0.168 11.197 1.00 0.00 P ATOM 97 OP1 DC A 4 10.756 0.891 11.360 1.00 0.00 O ATOM 98 OP2 DC A 4 9.167 -1.000 12.049 1.00 0.00 O ATOM 99 O5' DC A 4 8.272 1.232 11.322 1.00 0.00 O ATOM 100 C5' DC A 4 8.305 2.438 10.574 1.00 0.00 C ATOM 101 C4' DC A 4 6.987 3.215 10.659 1.00 0.00 C ATOM 102 O4' DC A 4 5.931 2.404 10.166 1.00 0.00 O ATOM 103 C3' DC A 4 6.619 3.682 12.074 1.00 0.00 C ATOM 104 O3' DC A 4 6.304 5.067 12.026 1.00 0.00 O ATOM 105 C2' DC A 4 5.393 2.842 12.402 1.00 0.00 C ATOM 106 C1' DC A 4 4.816 2.569 11.015 1.00 0.00 C ATOM 107 N1 DC A 4 3.941 1.366 10.903 1.00 0.00 N ATOM 108 C2 DC A 4 2.750 1.480 10.186 1.00 0.00 C ATOM 109 O2 DC A 4 2.331 2.569 9.798 1.00 0.00 O ATOM 110 N3 DC A 4 2.009 0.378 9.908 1.00 0.00 N ATOM 111 C4 DC A 4 2.388 -0.794 10.380 1.00 0.00 C ATOM 112 N4 DC A 4 1.683 -1.831 10.001 1.00 0.00 N ATOM 113 C5 DC A 4 3.517 -0.948 11.234 1.00 0.00 C ATOM 114 C6 DC A 4 4.292 0.149 11.439 1.00 0.00 C ATOM 0 H5' DC A 4 8.522 2.209 9.531 1.00 0.00 H new ATOM 0 H5'' DC A 4 9.118 3.066 10.938 1.00 0.00 H new ATOM 0 H4' DC A 4 7.130 4.112 10.057 1.00 0.00 H new ATOM 0 H3' DC A 4 7.408 3.563 12.816 1.00 0.00 H new ATOM 0 H2' DC A 4 5.656 1.921 12.923 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.689 3.378 13.039 1.00 0.00 H new ATOM 0 H1' DC A 4 4.164 3.403 10.755 1.00 0.00 H new ATOM 0 H41 DC A 4 1.928 -2.764 10.333 1.00 0.00 H new ATOM 0 H42 DC A 4 0.889 -1.706 9.373 1.00 0.00 H new ATOM 0 H5 DC A 4 3.747 -1.895 11.698 1.00 0.00 H new ATOM 0 H6 DC A 4 5.193 0.064 12.029 1.00 0.00 H new HETATM 126 P NCX A 5 6.230 5.979 13.357 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.420 7.389 12.953 1.00 0.00 O HETATM 128 OP2 NCX A 5 7.120 5.382 14.376 1.00 0.00 O HETATM 129 O5' NCX A 5 4.706 5.798 13.855 1.00 0.00 O HETATM 130 C5' NCX A 5 3.634 6.477 13.217 1.00 0.00 C HETATM 131 C4' NCX A 5 2.301 6.311 13.962 1.00 0.00 C HETATM 132 O4' NCX A 5 1.701 5.054 13.661 1.00 0.00 O HETATM 133 C1' NCX A 5 1.336 4.429 14.880 1.00 0.00 C HETATM 134 N9 NCX A 5 1.300 2.961 14.693 1.00 0.00 N HETATM 135 C8 NCX A 5 2.290 2.024 15.000 1.00 0.00 C HETATM 136 C7 NCX A 5 1.811 0.748 14.756 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.636 -0.469 14.882 1.00 0.00 C HETATM 138 O7 NCX A 5 3.748 -0.529 15.354 1.00 0.00 O HETATM 139 NH7 NCX A 5 2.134 -1.597 14.382 1.00 0.00 N HETATM 140 C5 NCX A 5 0.432 0.925 14.452 1.00 0.00 C HETATM 141 C4 NCX A 5 0.186 2.263 14.375 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.087 2.753 14.087 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.142 1.839 14.039 1.00 0.00 C HETATM 144 C1 NCX A 5 -1.918 0.466 14.247 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.062 -0.482 14.373 1.00 0.00 N HETATM 146 O11 NCX A 5 -2.794 -1.671 14.429 1.00 0.00 O HETATM 147 O12 NCX A 5 -4.190 -0.017 14.397 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.599 0.001 14.387 1.00 0.00 C HETATM 149 C3' NCX A 5 2.437 6.405 15.488 1.00 0.00 C HETATM 150 C2' NCX A 5 2.355 4.940 15.897 1.00 0.00 C HETATM 151 O3' NCX A 5 1.332 7.148 15.971 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.667 -2.464 14.445 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.217 -1.593 13.936 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.874 7.538 13.142 1.00 0.00 H new HETATM 0 H2'' NCX A 5 2.015 4.814 16.925 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.286 2.261 15.374 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.391 -1.067 14.443 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.526 6.102 12.199 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.680 7.138 13.616 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.337 6.891 15.863 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.254 3.815 13.905 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.315 4.431 15.814 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.153 2.194 13.838 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.334 4.670 15.237 1.00 0.00 H new ATOM 165 P DA A 6 1.293 7.813 17.439 1.00 0.00 P ATOM 166 OP1 DA A 6 1.565 9.260 17.316 1.00 0.00 O ATOM 167 OP2 DA A 6 2.068 6.975 18.378 1.00 0.00 O ATOM 168 O5' DA A 6 -0.259 7.605 17.783 1.00 0.00 O ATOM 169 C5' DA A 6 -1.274 8.188 16.984 1.00 0.00 C ATOM 170 C4' DA A 6 -2.641 7.557 17.272 1.00 0.00 C ATOM 171 O4' DA A 6 -2.604 6.171 16.947 1.00 0.00 O ATOM 172 C3' DA A 6 -3.088 7.701 18.727 1.00 0.00 C ATOM 173 O3' DA A 6 -4.494 7.907 18.734 1.00 0.00 O ATOM 174 C2' DA A 6 -2.646 6.368 19.319 1.00 0.00 C ATOM 175 C1' DA A 6 -2.725 5.402 18.132 1.00 0.00 C ATOM 176 N9 DA A 6 -1.684 4.340 18.158 1.00 0.00 N ATOM 177 C8 DA A 6 -0.352 4.420 18.506 1.00 0.00 C ATOM 178 N7 DA A 6 0.277 3.273 18.498 1.00 0.00 N ATOM 179 C5 DA A 6 -0.709 2.370 18.091 1.00 0.00 C ATOM 180 C6 DA A 6 -0.736 0.974 17.866 1.00 0.00 C ATOM 181 N6 DA A 6 0.313 0.180 18.030 1.00 0.00 N ATOM 182 N1 DA A 6 -1.858 0.376 17.445 1.00 0.00 N ATOM 183 C2 DA A 6 -2.935 1.136 17.258 1.00 0.00 C ATOM 184 N3 DA A 6 -3.058 2.446 17.443 1.00 0.00 N ATOM 185 C4 DA A 6 -1.896 3.012 17.866 1.00 0.00 C ATOM 0 H5' DA A 6 -1.028 8.061 15.930 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.319 9.260 17.174 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.361 8.095 16.655 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.675 8.536 19.293 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.635 6.424 19.723 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.298 6.055 20.134 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.680 4.879 18.182 1.00 0.00 H new ATOM 0 H8 DA A 6 0.131 5.351 18.763 1.00 0.00 H new ATOM 0 H61 DA A 6 0.228 -0.821 17.851 1.00 0.00 H new ATOM 0 H62 DA A 6 1.205 0.570 18.335 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.820 0.623 16.912 1.00 0.00 H new ATOM 197 P DC A 7 -5.351 8.077 20.092 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.526 8.925 19.801 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.430 8.430 21.195 1.00 0.00 O ATOM 200 O5' DC A 7 -5.858 6.567 20.315 1.00 0.00 O ATOM 201 C5' DC A 7 -6.753 5.962 19.395 1.00 0.00 C ATOM 202 C4' DC A 7 -6.966 4.472 19.683 1.00 0.00 C ATOM 203 O4' DC A 7 -5.739 3.764 19.497 1.00 0.00 O ATOM 204 C3' DC A 7 -7.462 4.170 21.108 1.00 0.00 C ATOM 205 O3' DC A 7 -8.433 3.139 21.027 1.00 0.00 O ATOM 206 C2' DC A 7 -6.165 3.733 21.760 1.00 0.00 C ATOM 207 C1' DC A 7 -5.571 2.915 20.614 1.00 0.00 C ATOM 208 N1 DC A 7 -4.147 2.532 20.815 1.00 0.00 N ATOM 209 C2 DC A 7 -3.760 1.206 20.582 1.00 0.00 C ATOM 210 O2 DC A 7 -4.550 0.362 20.159 1.00 0.00 O ATOM 211 N3 DC A 7 -2.487 0.809 20.838 1.00 0.00 N ATOM 212 C4 DC A 7 -1.627 1.679 21.337 1.00 0.00 C ATOM 213 N4 DC A 7 -0.406 1.251 21.536 1.00 0.00 N ATOM 214 C5 DC A 7 -1.973 3.035 21.607 1.00 0.00 C ATOM 215 C6 DC A 7 -3.236 3.426 21.320 1.00 0.00 C ATOM 0 H5' DC A 7 -6.366 6.082 18.383 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.713 6.478 19.433 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.740 4.151 18.986 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.949 4.978 21.654 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.534 4.575 22.044 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.327 3.138 22.659 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.065 1.949 20.510 1.00 0.00 H new ATOM 0 H41 DC A 7 0.299 1.881 21.919 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.160 0.288 21.308 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.254 3.724 22.025 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.530 4.451 21.490 1.00 0.00 H new ATOM 227 P DG A 8 -9.277 2.615 22.297 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.717 2.767 22.003 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.706 3.172 23.542 1.00 0.00 O ATOM 230 O5' DG A 8 -8.913 1.053 22.246 1.00 0.00 O ATOM 231 C5' DG A 8 -9.298 0.259 21.136 1.00 0.00 C ATOM 232 C4' DG A 8 -9.056 -1.238 21.366 1.00 0.00 C ATOM 233 O4' DG A 8 -7.663 -1.517 21.371 1.00 0.00 O ATOM 234 C3' DG A 8 -9.626 -1.745 22.698 1.00 0.00 C ATOM 235 O3' DG A 8 -10.060 -3.090 22.589 1.00 0.00 O ATOM 236 C2' DG A 8 -8.425 -1.653 23.631 1.00 0.00 C ATOM 237 C1' DG A 8 -7.258 -1.902 22.674 1.00 0.00 C ATOM 238 N9 DG A 8 -6.019 -1.208 23.080 1.00 0.00 N ATOM 239 C8 DG A 8 -5.780 0.128 23.288 1.00 0.00 C ATOM 240 N7 DG A 8 -4.551 0.401 23.644 1.00 0.00 N ATOM 241 C5 DG A 8 -3.932 -0.854 23.696 1.00 0.00 C ATOM 242 C6 DG A 8 -2.590 -1.253 24.028 1.00 0.00 C ATOM 243 O6 DG A 8 -1.609 -0.571 24.322 1.00 0.00 O ATOM 244 N1 DG A 8 -2.414 -2.625 24.015 1.00 0.00 N ATOM 245 C2 DG A 8 -3.387 -3.523 23.704 1.00 0.00 C ATOM 246 N2 DG A 8 -3.067 -4.795 23.721 1.00 0.00 N ATOM 247 N3 DG A 8 -4.635 -3.193 23.382 1.00 0.00 N ATOM 248 C4 DG A 8 -4.842 -1.842 23.388 1.00 0.00 C ATOM 0 H5' DG A 8 -8.744 0.581 20.255 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.355 0.424 20.926 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.567 -1.747 20.549 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.493 -1.178 23.036 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.356 -0.678 24.113 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.467 -2.398 24.425 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.417 -3.389 23.451 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.012 -2.964 22.696 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.539 0.886 23.168 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.492 -2.988 24.255 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.768 -5.500 23.494 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.117 -5.079 23.961 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.857 -7.567 26.191 1.00 0.00 O ATOM 263 C5' DC B 9 3.929 -8.586 26.507 1.00 0.00 C ATOM 264 C4' DC B 9 2.688 -8.478 25.612 1.00 0.00 C ATOM 265 O4' DC B 9 2.197 -7.140 25.647 1.00 0.00 O ATOM 266 C3' DC B 9 2.943 -8.825 24.138 1.00 0.00 C ATOM 267 O3' DC B 9 1.855 -9.635 23.721 1.00 0.00 O ATOM 268 C2' DC B 9 2.944 -7.448 23.480 1.00 0.00 C ATOM 269 C1' DC B 9 1.861 -6.774 24.319 1.00 0.00 C ATOM 270 N1 DC B 9 1.738 -5.289 24.213 1.00 0.00 N ATOM 271 C2 DC B 9 0.458 -4.739 24.358 1.00 0.00 C ATOM 272 O2 DC B 9 -0.539 -5.447 24.493 1.00 0.00 O ATOM 273 N3 DC B 9 0.280 -3.395 24.347 1.00 0.00 N ATOM 274 C4 DC B 9 1.319 -2.606 24.142 1.00 0.00 C ATOM 275 N4 DC B 9 1.074 -1.320 24.135 1.00 0.00 N ATOM 276 C5 DC B 9 2.646 -3.106 23.973 1.00 0.00 C ATOM 277 C6 DC B 9 2.816 -4.454 24.016 1.00 0.00 C ATOM 0 H5' DC B 9 3.637 -8.508 27.554 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.394 -9.563 26.377 1.00 0.00 H new ATOM 0 H4' DC B 9 1.977 -9.202 26.009 1.00 0.00 H new ATOM 0 H3' DC B 9 3.857 -9.372 23.908 1.00 0.00 H new ATOM 0 H2' DC B 9 3.908 -6.946 23.558 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.690 -7.489 22.421 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.384 -6.805 25.795 1.00 0.00 H new ATOM 0 H1' DC B 9 0.886 -7.106 23.962 1.00 0.00 H new ATOM 0 H41 DC B 9 1.834 -0.657 23.982 1.00 0.00 H new ATOM 0 H42 DC B 9 0.123 -0.981 24.283 1.00 0.00 H new ATOM 0 H5 DC B 9 3.481 -2.440 23.817 1.00 0.00 H new ATOM 0 H6 DC B 9 3.804 -4.874 23.895 1.00 0.00 H new ATOM 290 P DG B 10 1.757 -10.289 22.250 1.00 0.00 P ATOM 291 OP1 DG B 10 1.438 -11.723 22.415 1.00 0.00 O ATOM 292 OP2 DG B 10 2.940 -9.874 21.468 1.00 0.00 O ATOM 293 O5' DG B 10 0.458 -9.530 21.666 1.00 0.00 O ATOM 294 C5' DG B 10 -0.840 -9.832 22.162 1.00 0.00 C ATOM 295 C4' DG B 10 -1.974 -9.192 21.345 1.00 0.00 C ATOM 296 O4' DG B 10 -2.039 -7.806 21.648 1.00 0.00 O ATOM 297 C3' DG B 10 -1.822 -9.355 19.828 1.00 0.00 C ATOM 298 O3' DG B 10 -3.095 -9.577 19.236 1.00 0.00 O ATOM 299 C2' DG B 10 -1.242 -8.009 19.442 1.00 0.00 C ATOM 300 C1' DG B 10 -1.923 -7.076 20.443 1.00 0.00 C ATOM 301 N9 DG B 10 -1.131 -5.855 20.686 1.00 0.00 N ATOM 302 C8 DG B 10 0.203 -5.758 20.982 1.00 0.00 C ATOM 303 N7 DG B 10 0.634 -4.535 21.122 1.00 0.00 N ATOM 304 C5 DG B 10 -0.507 -3.756 20.897 1.00 0.00 C ATOM 305 C6 DG B 10 -0.708 -2.332 20.901 1.00 0.00 C ATOM 306 O6 DG B 10 0.096 -1.426 21.107 1.00 0.00 O ATOM 307 N1 DG B 10 -2.015 -1.966 20.636 1.00 0.00 N ATOM 308 C2 DG B 10 -3.021 -2.847 20.381 1.00 0.00 C ATOM 309 N2 DG B 10 -4.207 -2.348 20.127 1.00 0.00 N ATOM 310 N3 DG B 10 -2.869 -4.170 20.348 1.00 0.00 N ATOM 311 C4 DG B 10 -1.592 -4.563 20.625 1.00 0.00 C ATOM 0 H5' DG B 10 -0.913 -9.494 23.196 1.00 0.00 H new ATOM 0 H5'' DG B 10 -0.975 -10.914 22.170 1.00 0.00 H new ATOM 0 H4' DG B 10 -2.887 -9.715 21.627 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.207 -10.197 19.509 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.156 -7.989 19.538 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.476 -7.743 18.411 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.889 -6.755 20.054 1.00 0.00 H new ATOM 0 H8 DG B 10 0.843 -6.621 21.090 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.240 -0.971 20.631 1.00 0.00 H new ATOM 0 H21 DG B 10 -4.991 -2.970 19.930 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.346 -1.337 20.126 1.00 0.00 H new ATOM 323 P DT B 11 -3.270 -9.907 17.660 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.275 -10.985 17.534 1.00 0.00 O ATOM 325 OP2 DT B 11 -1.927 -10.076 17.066 1.00 0.00 O ATOM 326 O5' DT B 11 -3.904 -8.544 17.068 1.00 0.00 O ATOM 327 C5' DT B 11 -5.282 -8.249 17.257 1.00 0.00 C ATOM 328 C4' DT B 11 -5.718 -6.945 16.576 1.00 0.00 C ATOM 329 O4' DT B 11 -5.073 -5.878 17.258 1.00 0.00 O ATOM 330 C3' DT B 11 -5.440 -6.882 15.077 1.00 0.00 C ATOM 331 O3' DT B 11 -6.654 -6.547 14.416 1.00 0.00 O ATOM 332 C2' DT B 11 -4.477 -5.720 14.994 1.00 0.00 C ATOM 333 C1' DT B 11 -4.584 -4.960 16.311 1.00 0.00 C ATOM 334 N1 DT B 11 -3.288 -4.391 16.762 1.00 0.00 N ATOM 335 C2 DT B 11 -3.240 -3.022 17.035 1.00 0.00 C ATOM 336 O2 DT B 11 -4.228 -2.293 17.041 1.00 0.00 O ATOM 337 N3 DT B 11 -1.998 -2.495 17.308 1.00 0.00 N ATOM 338 C4 DT B 11 -0.815 -3.202 17.378 1.00 0.00 C ATOM 339 O4 DT B 11 0.213 -2.583 17.628 1.00 0.00 O ATOM 340 C5 DT B 11 -0.944 -4.644 17.152 1.00 0.00 C ATOM 341 C7 DT B 11 0.272 -5.559 17.250 1.00 0.00 C ATOM 342 C6 DT B 11 -2.160 -5.180 16.855 1.00 0.00 C ATOM 0 H5' DT B 11 -5.490 -8.181 18.325 1.00 0.00 H new ATOM 0 H5'' DT B 11 -5.880 -9.073 16.868 1.00 0.00 H new ATOM 0 H4' DT B 11 -6.804 -6.877 16.645 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.059 -7.802 14.635 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.458 -6.074 14.834 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.725 -5.072 14.153 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.247 -4.104 16.185 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.947 -1.490 17.474 1.00 0.00 H new ATOM 0 H71 DT B 11 1.167 -5.006 16.967 1.00 0.00 H new ATOM 0 H72 DT B 11 0.376 -5.918 18.274 1.00 0.00 H new ATOM 0 H73 DT B 11 0.143 -6.409 16.579 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.243 -6.244 16.689 1.00 0.00 H new ATOM 355 P DT B 12 -6.837 -6.653 12.813 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.234 -7.053 12.541 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.715 -7.442 12.262 1.00 0.00 O ATOM 358 O5' DT B 12 -6.651 -5.127 12.344 1.00 0.00 O ATOM 359 C5' DT B 12 -7.543 -4.115 12.783 1.00 0.00 C ATOM 360 C4' DT B 12 -7.201 -2.751 12.170 1.00 0.00 C ATOM 361 O4' DT B 12 -5.868 -2.403 12.533 1.00 0.00 O ATOM 362 C3' DT B 12 -7.304 -2.729 10.635 1.00 0.00 C ATOM 363 O3' DT B 12 -7.884 -1.498 10.212 1.00 0.00 O ATOM 364 C2' DT B 12 -5.836 -2.818 10.245 1.00 0.00 C ATOM 365 C1' DT B 12 -5.202 -1.986 11.359 1.00 0.00 C ATOM 366 N1 DT B 12 -3.731 -2.166 11.467 1.00 0.00 N ATOM 367 C2 DT B 12 -2.935 -1.018 11.386 1.00 0.00 C ATOM 368 O2 DT B 12 -3.371 0.114 11.214 1.00 0.00 O ATOM 369 N3 DT B 12 -1.584 -1.171 11.598 1.00 0.00 N ATOM 370 C4 DT B 12 -0.974 -2.333 12.009 1.00 0.00 C ATOM 371 O4 DT B 12 0.186 -2.283 12.416 1.00 0.00 O ATOM 372 C5 DT B 12 -1.831 -3.512 11.966 1.00 0.00 C ATOM 373 C7 DT B 12 -1.207 -4.860 12.240 1.00 0.00 C ATOM 374 C6 DT B 12 -3.166 -3.405 11.710 1.00 0.00 C ATOM 0 H5' DT B 12 -7.507 -4.045 13.870 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.564 -4.389 12.515 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.930 -2.039 12.557 1.00 0.00 H new ATOM 0 H3' DT B 12 -7.922 -3.512 10.195 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.471 -3.845 10.235 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.644 -2.402 9.256 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.317 -0.920 11.165 1.00 0.00 H new ATOM 0 H3 DT B 12 -0.988 -0.359 11.438 1.00 0.00 H new ATOM 0 H71 DT B 12 -1.949 -5.520 12.690 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.855 -5.295 11.305 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.366 -4.740 12.923 1.00 0.00 H new ATOM 0 H6 DT B 12 -3.784 -4.290 11.697 1.00 0.00 H new ATOM 387 P DG B 13 -8.506 -1.294 8.730 1.00 0.00 P ATOM 388 OP1 DG B 13 -9.978 -1.246 8.849 1.00 0.00 O ATOM 389 OP2 DG B 13 -7.867 -2.261 7.812 1.00 0.00 O ATOM 390 O5' DG B 13 -7.978 0.172 8.317 1.00 0.00 O ATOM 391 C5' DG B 13 -8.491 1.342 8.934 1.00 0.00 C ATOM 392 C4' DG B 13 -7.569 2.555 8.739 1.00 0.00 C ATOM 393 O4' DG B 13 -6.287 2.225 9.265 1.00 0.00 O ATOM 394 C3' DG B 13 -7.386 3.043 7.292 1.00 0.00 C ATOM 395 O3' DG B 13 -7.290 4.463 7.287 1.00 0.00 O ATOM 396 C2' DG B 13 -6.102 2.354 6.913 1.00 0.00 C ATOM 397 C1' DG B 13 -5.331 2.268 8.220 1.00 0.00 C ATOM 398 N9 DG B 13 -4.458 1.076 8.196 1.00 0.00 N ATOM 399 C8 DG B 13 -4.754 -0.231 7.889 1.00 0.00 C ATOM 400 N7 DG B 13 -3.725 -1.034 7.915 1.00 0.00 N ATOM 401 C5 DG B 13 -2.662 -0.192 8.254 1.00 0.00 C ATOM 402 C6 DG B 13 -1.278 -0.462 8.523 1.00 0.00 C ATOM 403 O6 DG B 13 -0.666 -1.530 8.547 1.00 0.00 O ATOM 404 N1 DG B 13 -0.566 0.669 8.870 1.00 0.00 N ATOM 405 C2 DG B 13 -1.093 1.924 8.926 1.00 0.00 C ATOM 406 N2 DG B 13 -0.301 2.922 9.224 1.00 0.00 N ATOM 407 N3 DG B 13 -2.364 2.214 8.677 1.00 0.00 N ATOM 408 C4 DG B 13 -3.103 1.108 8.377 1.00 0.00 C ATOM 0 H5' DG B 13 -8.626 1.159 10.000 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.475 1.566 8.522 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.059 3.378 9.259 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.196 2.818 6.599 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.288 1.365 6.494 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.552 2.920 6.162 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.679 3.128 8.373 1.00 0.00 H new ATOM 0 H8 DG B 13 -5.752 -0.565 7.647 1.00 0.00 H new ATOM 0 H1 DG B 13 0.421 0.557 9.100 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.672 3.871 9.272 1.00 0.00 H new ATOM 0 H22 DG B 13 0.688 2.751 9.408 1.00 0.00 H new ATOM 420 P DT B 14 -7.032 5.335 5.947 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.849 6.563 6.035 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.154 4.447 4.770 1.00 0.00 O ATOM 423 O5' DT B 14 -5.479 5.748 6.101 1.00 0.00 O ATOM 424 C5' DT B 14 -5.063 6.598 7.161 1.00 0.00 C ATOM 425 C4' DT B 14 -3.581 6.996 7.086 1.00 0.00 C ATOM 426 O4' DT B 14 -2.763 5.841 7.225 1.00 0.00 O ATOM 427 C3' DT B 14 -3.192 7.715 5.788 1.00 0.00 C ATOM 428 O3' DT B 14 -2.305 8.781 6.100 1.00 0.00 O ATOM 429 C2' DT B 14 -2.524 6.599 4.999 1.00 0.00 C ATOM 430 C1' DT B 14 -1.903 5.741 6.103 1.00 0.00 C ATOM 431 N1 DT B 14 -1.740 4.304 5.743 1.00 0.00 N ATOM 432 C2 DT B 14 -0.502 3.699 5.991 1.00 0.00 C ATOM 433 O2 DT B 14 0.477 4.299 6.420 1.00 0.00 O ATOM 434 N3 DT B 14 -0.409 2.349 5.732 1.00 0.00 N ATOM 435 C4 DT B 14 -1.430 1.547 5.267 1.00 0.00 C ATOM 436 O4 DT B 14 -1.215 0.346 5.137 1.00 0.00 O ATOM 437 C5 DT B 14 -2.685 2.244 4.990 1.00 0.00 C ATOM 438 C7 DT B 14 -3.880 1.480 4.438 1.00 0.00 C ATOM 439 C6 DT B 14 -2.799 3.576 5.239 1.00 0.00 C ATOM 0 H5' DT B 14 -5.248 6.097 8.111 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.674 7.501 7.152 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.422 7.700 7.903 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.012 8.173 5.234 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.243 6.036 4.403 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.771 6.983 4.311 1.00 0.00 H new ATOM 0 H1' DT B 14 -0.896 6.112 6.294 1.00 0.00 H new ATOM 0 H3 DT B 14 0.494 1.904 5.899 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.529 0.643 3.834 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.484 1.104 5.264 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.483 2.145 3.820 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.736 4.074 5.039 1.00 0.00 H new ATOM 452 P DA B 15 -1.698 9.771 4.973 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.437 11.084 5.600 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.544 9.681 3.761 1.00 0.00 O ATOM 455 O5' DA B 15 -0.281 9.072 4.652 1.00 0.00 O ATOM 456 C5' DA B 15 0.753 9.060 5.624 1.00 0.00 C ATOM 457 C4' DA B 15 1.980 8.265 5.165 1.00 0.00 C ATOM 458 O4' DA B 15 1.620 6.900 4.990 1.00 0.00 O ATOM 459 C3' DA B 15 2.582 8.778 3.850 1.00 0.00 C ATOM 460 O3' DA B 15 3.978 8.988 4.019 1.00 0.00 O ATOM 461 C2' DA B 15 2.285 7.632 2.899 1.00 0.00 C ATOM 462 C1' DA B 15 2.244 6.413 3.820 1.00 0.00 C ATOM 463 N9 DA B 15 1.459 5.285 3.258 1.00 0.00 N ATOM 464 C8 DA B 15 0.223 5.326 2.659 1.00 0.00 C ATOM 465 N7 DA B 15 -0.252 4.163 2.308 1.00 0.00 N ATOM 466 C5 DA B 15 0.766 3.282 2.687 1.00 0.00 C ATOM 467 C6 DA B 15 0.928 1.881 2.610 1.00 0.00 C ATOM 468 N6 DA B 15 0.003 1.060 2.140 1.00 0.00 N ATOM 469 N1 DA B 15 2.058 1.301 3.029 1.00 0.00 N ATOM 470 C2 DA B 15 3.012 2.082 3.525 1.00 0.00 C ATOM 471 N3 DA B 15 2.997 3.406 3.668 1.00 0.00 N ATOM 472 C4 DA B 15 1.825 3.954 3.239 1.00 0.00 C ATOM 0 H5' DA B 15 0.372 8.631 6.550 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.050 10.085 5.846 1.00 0.00 H new ATOM 0 H4' DA B 15 2.735 8.387 5.942 1.00 0.00 H new ATOM 0 H3' DA B 15 2.184 9.729 3.497 1.00 0.00 H new ATOM 0 H2' DA B 15 1.338 7.776 2.379 1.00 0.00 H new ATOM 0 H2'' DA B 15 3.056 7.533 2.135 1.00 0.00 H new ATOM 0 H1' DA B 15 3.243 6.008 3.982 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.313 6.249 2.492 1.00 0.00 H new ATOM 0 H61 DA B 15 0.180 0.056 2.110 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.887 1.431 1.808 1.00 0.00 H new ATOM 0 H2 DA B 15 3.911 1.581 3.853 1.00 0.00 H new ATOM 484 P DC B 16 4.895 9.650 2.864 1.00 0.00 P ATOM 485 OP1 DC B 16 5.974 10.437 3.499 1.00 0.00 O ATOM 486 OP2 DC B 16 4.022 10.268 1.844 1.00 0.00 O ATOM 487 O5' DC B 16 5.556 8.338 2.217 1.00 0.00 O ATOM 488 C5' DC B 16 6.561 7.622 2.909 1.00 0.00 C ATOM 489 C4' DC B 16 6.954 6.353 2.149 1.00 0.00 C ATOM 490 O4' DC B 16 5.952 5.365 2.274 1.00 0.00 O ATOM 491 C3' DC B 16 7.151 6.557 0.645 1.00 0.00 C ATOM 492 O3' DC B 16 8.446 7.035 0.332 1.00 0.00 O ATOM 493 C2' DC B 16 6.947 5.140 0.125 1.00 0.00 C ATOM 494 C1' DC B 16 6.077 4.461 1.194 1.00 0.00 C ATOM 495 N1 DC B 16 4.723 4.129 0.686 1.00 0.00 N ATOM 496 C2 DC B 16 4.380 2.786 0.511 1.00 0.00 C ATOM 497 O2 DC B 16 5.163 1.879 0.790 1.00 0.00 O ATOM 498 N3 DC B 16 3.170 2.454 0.002 1.00 0.00 N ATOM 499 C4 DC B 16 2.314 3.410 -0.312 1.00 0.00 C ATOM 500 N4 DC B 16 1.147 3.007 -0.744 1.00 0.00 N ATOM 501 C5 DC B 16 2.616 4.798 -0.170 1.00 0.00 C ATOM 502 C6 DC B 16 3.837 5.119 0.337 1.00 0.00 C ATOM 0 H5' DC B 16 6.204 7.358 3.904 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.437 8.256 3.043 1.00 0.00 H new ATOM 0 H4' DC B 16 7.901 6.055 2.599 1.00 0.00 H new ATOM 0 H3' DC B 16 6.482 7.302 0.214 1.00 0.00 H new ATOM 0 H2' DC B 16 6.454 5.141 -0.847 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.898 4.622 -0.001 1.00 0.00 H new ATOM 0 HO3' DC B 16 8.527 7.149 -0.638 1.00 0.00 H new ATOM 0 H1' DC B 16 6.551 3.526 1.493 1.00 0.00 H new ATOM 0 H41 DC B 16 0.436 3.690 -1.005 1.00 0.00 H new ATOM 0 H42 DC B 16 0.948 2.009 -0.820 1.00 0.00 H new ATOM 0 H5 DC B 16 1.906 5.561 -0.453 1.00 0.00 H new ATOM 0 H6 DC B 16 4.111 6.156 0.466 1.00 0.00 H new TER 515 DC B 16