USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.252 (180deg=-0.252) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.253 (180deg=-0.253) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.316 10.982 24.422 1.00 0.00 O ATOM 2 C5' DG A 1 5.144 11.689 24.764 1.00 0.00 C ATOM 3 C4' DG A 1 3.938 11.177 23.967 1.00 0.00 C ATOM 4 O4' DG A 1 4.163 11.364 22.576 1.00 0.00 O ATOM 5 C3' DG A 1 3.618 9.696 24.218 1.00 0.00 C ATOM 6 O3' DG A 1 2.216 9.516 24.331 1.00 0.00 O ATOM 7 C2' DG A 1 4.182 9.092 22.943 1.00 0.00 C ATOM 8 C1' DG A 1 3.826 10.161 21.920 1.00 0.00 C ATOM 9 N9 DG A 1 4.581 9.992 20.652 1.00 0.00 N ATOM 10 C8 DG A 1 5.944 9.977 20.445 1.00 0.00 C ATOM 11 N7 DG A 1 6.292 9.840 19.197 1.00 0.00 N ATOM 12 C5 DG A 1 5.083 9.766 18.516 1.00 0.00 C ATOM 13 C6 DG A 1 4.829 9.647 17.116 1.00 0.00 C ATOM 14 O6 DG A 1 5.649 9.579 16.204 1.00 0.00 O ATOM 15 N1 DG A 1 3.467 9.612 16.825 1.00 0.00 N ATOM 16 C2 DG A 1 2.464 9.698 17.775 1.00 0.00 C ATOM 17 N2 DG A 1 1.201 9.641 17.340 1.00 0.00 N ATOM 18 N3 DG A 1 2.704 9.831 19.089 1.00 0.00 N ATOM 19 C4 DG A 1 4.030 9.858 19.396 1.00 0.00 C ATOM 0 H5' DG A 1 5.287 12.752 24.570 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.950 11.583 25.831 1.00 0.00 H new ATOM 0 H4' DG A 1 3.082 11.757 24.311 1.00 0.00 H new ATOM 0 H3' DG A 1 4.023 9.261 25.132 1.00 0.00 H new ATOM 0 H2' DG A 1 5.258 8.927 23.008 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.726 8.130 22.708 1.00 0.00 H new ATOM 0 HO5' DG A 1 7.071 11.328 24.942 1.00 0.00 H new ATOM 0 H1' DG A 1 2.779 10.122 21.618 1.00 0.00 H new ATOM 0 H8 DG A 1 6.661 10.071 21.247 1.00 0.00 H new ATOM 0 H1 DG A 1 3.191 9.517 15.848 1.00 0.00 H new ATOM 0 H21 DG A 1 0.430 9.700 18.005 1.00 0.00 H new ATOM 0 H22 DG A 1 1.009 9.538 16.344 1.00 0.00 H new ATOM 32 P DC A 2 1.541 8.065 24.566 1.00 0.00 P ATOM 33 OP1 DC A 2 0.503 8.207 25.612 1.00 0.00 O ATOM 34 OP2 DC A 2 2.612 7.057 24.732 1.00 0.00 O ATOM 35 O5' DC A 2 0.806 7.789 23.153 1.00 0.00 O ATOM 36 C5' DC A 2 -0.325 8.546 22.769 1.00 0.00 C ATOM 37 C4' DC A 2 -1.085 8.004 21.561 1.00 0.00 C ATOM 38 O4' DC A 2 -0.329 8.124 20.368 1.00 0.00 O ATOM 39 C3' DC A 2 -1.432 6.532 21.790 1.00 0.00 C ATOM 40 O3' DC A 2 -2.747 6.284 21.318 1.00 0.00 O ATOM 41 C2' DC A 2 -0.330 5.873 20.995 1.00 0.00 C ATOM 42 C1' DC A 2 -0.145 6.833 19.824 1.00 0.00 C ATOM 43 N1 DC A 2 1.222 6.721 19.271 1.00 0.00 N ATOM 44 C2 DC A 2 1.432 6.507 17.908 1.00 0.00 C ATOM 45 O2 DC A 2 0.497 6.474 17.111 1.00 0.00 O ATOM 46 N3 DC A 2 2.715 6.337 17.472 1.00 0.00 N ATOM 47 C4 DC A 2 3.749 6.346 18.329 1.00 0.00 C ATOM 48 N4 DC A 2 4.990 6.216 17.851 1.00 0.00 N ATOM 49 C5 DC A 2 3.540 6.586 19.728 1.00 0.00 C ATOM 50 C6 DC A 2 2.280 6.796 20.133 1.00 0.00 C ATOM 0 H5' DC A 2 -0.004 9.565 22.550 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.010 8.602 23.615 1.00 0.00 H new ATOM 0 H4' DC A 2 -1.994 8.595 21.449 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.462 6.174 22.819 1.00 0.00 H new ATOM 0 H2' DC A 2 0.584 5.766 21.580 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.613 4.875 20.660 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.843 6.616 19.016 1.00 0.00 H new ATOM 0 H41 DC A 2 5.786 6.221 18.489 1.00 0.00 H new ATOM 0 H42 DC A 2 5.142 6.112 16.848 1.00 0.00 H new ATOM 0 H5 DC A 2 4.364 6.597 20.426 1.00 0.00 H new ATOM 0 H6 DC A 2 2.095 7.031 21.171 1.00 0.00 H new ATOM 62 P DG A 3 -3.358 4.799 21.142 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.821 4.875 21.351 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.551 3.843 21.933 1.00 0.00 O ATOM 65 O5' DG A 3 -3.082 4.537 19.572 1.00 0.00 O ATOM 66 C5' DG A 3 -3.747 5.320 18.597 1.00 0.00 C ATOM 67 C4' DG A 3 -3.543 4.823 17.176 1.00 0.00 C ATOM 68 O4' DG A 3 -2.181 4.870 16.791 1.00 0.00 O ATOM 69 C3' DG A 3 -4.074 3.392 17.089 1.00 0.00 C ATOM 70 O3' DG A 3 -5.096 3.297 16.112 1.00 0.00 O ATOM 71 C2' DG A 3 -2.797 2.635 16.776 1.00 0.00 C ATOM 72 C1' DG A 3 -1.842 3.651 16.166 1.00 0.00 C ATOM 73 N9 DG A 3 -0.424 3.356 16.466 1.00 0.00 N ATOM 74 C8 DG A 3 0.170 3.219 17.694 1.00 0.00 C ATOM 75 N7 DG A 3 1.471 3.258 17.673 1.00 0.00 N ATOM 76 C5 DG A 3 1.768 3.398 16.324 1.00 0.00 C ATOM 77 C6 DG A 3 3.028 3.553 15.676 1.00 0.00 C ATOM 78 O6 DG A 3 4.127 3.719 16.199 1.00 0.00 O ATOM 79 N1 DG A 3 2.916 3.501 14.289 1.00 0.00 N ATOM 80 C2 DG A 3 1.718 3.416 13.602 1.00 0.00 C ATOM 81 N2 DG A 3 1.770 3.388 12.267 1.00 0.00 N ATOM 82 N3 DG A 3 0.524 3.394 14.214 1.00 0.00 N ATOM 83 C4 DG A 3 0.618 3.376 15.571 1.00 0.00 C ATOM 0 H5' DG A 3 -3.395 6.349 18.667 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.814 5.333 18.819 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.086 5.474 16.490 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.569 3.000 17.977 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.373 2.195 17.679 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.989 1.816 16.083 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.936 3.654 15.080 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.396 3.089 18.605 1.00 0.00 H new ATOM 0 H1 DG A 3 3.776 3.527 13.742 1.00 0.00 H new ATOM 0 H21 DG A 3 0.909 3.326 11.724 1.00 0.00 H new ATOM 0 H22 DG A 3 2.671 3.429 11.791 1.00 0.00 H new ATOM 95 P DT A 4 -5.824 1.897 15.749 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.068 2.198 15.006 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.871 1.050 16.962 1.00 0.00 O ATOM 98 O5' DT A 4 -4.759 1.262 14.721 1.00 0.00 O ATOM 99 C5' DT A 4 -4.394 1.979 13.564 1.00 0.00 C ATOM 100 C4' DT A 4 -3.197 1.395 12.821 1.00 0.00 C ATOM 101 O4' DT A 4 -2.031 1.542 13.603 1.00 0.00 O ATOM 102 C3' DT A 4 -3.350 -0.089 12.456 1.00 0.00 C ATOM 103 O3' DT A 4 -3.387 -0.218 11.046 1.00 0.00 O ATOM 104 C2' DT A 4 -2.115 -0.701 13.116 1.00 0.00 C ATOM 105 C1' DT A 4 -1.171 0.490 13.247 1.00 0.00 C ATOM 106 N1 DT A 4 -0.163 0.247 14.301 1.00 0.00 N ATOM 107 C2 DT A 4 1.194 0.208 13.979 1.00 0.00 C ATOM 108 O2 DT A 4 1.618 0.230 12.826 1.00 0.00 O ATOM 109 N3 DT A 4 2.070 0.142 15.054 1.00 0.00 N ATOM 110 C4 DT A 4 1.711 0.063 16.394 1.00 0.00 C ATOM 111 O4 DT A 4 2.578 0.035 17.263 1.00 0.00 O ATOM 112 C5 DT A 4 0.278 0.021 16.627 1.00 0.00 C ATOM 113 C7 DT A 4 -0.271 -0.125 18.026 1.00 0.00 C ATOM 114 C6 DT A 4 -0.589 0.118 15.595 1.00 0.00 C ATOM 0 H5' DT A 4 -4.168 3.008 13.844 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.247 2.013 12.886 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.129 1.952 11.887 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.263 -0.580 12.793 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.351 -1.138 14.086 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.682 -1.494 12.506 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.604 0.692 12.338 1.00 0.00 H new ATOM 0 H3 DT A 4 3.067 0.152 14.841 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.239 0.372 18.091 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.390 -1.183 18.262 1.00 0.00 H new ATOM 0 H73 DT A 4 0.419 0.330 18.737 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.650 0.093 15.797 1.00 0.00 H new ATOM 127 P DA A 5 -3.498 -1.650 10.311 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.159 -1.449 9.003 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.041 -2.638 11.269 1.00 0.00 O ATOM 130 O5' DA A 5 -1.948 -1.997 10.049 1.00 0.00 O ATOM 131 C5' DA A 5 -1.165 -1.213 9.170 1.00 0.00 C ATOM 132 C4' DA A 5 0.245 -1.795 9.061 1.00 0.00 C ATOM 133 O4' DA A 5 0.925 -1.690 10.301 1.00 0.00 O ATOM 134 C3' DA A 5 0.234 -3.274 8.644 1.00 0.00 C ATOM 135 O3' DA A 5 0.995 -3.399 7.457 1.00 0.00 O ATOM 136 C2' DA A 5 0.826 -3.957 9.881 1.00 0.00 C ATOM 137 C1' DA A 5 1.710 -2.852 10.470 1.00 0.00 C ATOM 138 N9 DA A 5 1.990 -3.051 11.909 1.00 0.00 N ATOM 139 C8 DA A 5 1.061 -3.265 12.884 1.00 0.00 C ATOM 140 N7 DA A 5 1.502 -3.146 14.103 1.00 0.00 N ATOM 141 C5 DA A 5 2.853 -2.881 13.922 1.00 0.00 C ATOM 142 C6 DA A 5 3.906 -2.647 14.829 1.00 0.00 C ATOM 143 N6 DA A 5 3.707 -2.543 16.146 1.00 0.00 N ATOM 144 N1 DA A 5 5.152 -2.496 14.342 1.00 0.00 N ATOM 145 C2 DA A 5 5.337 -2.546 13.025 1.00 0.00 C ATOM 146 N3 DA A 5 4.425 -2.702 12.065 1.00 0.00 N ATOM 147 C4 DA A 5 3.178 -2.871 12.586 1.00 0.00 C ATOM 0 H5' DA A 5 -1.116 -0.186 9.532 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.631 -1.182 8.185 1.00 0.00 H new ATOM 0 H4' DA A 5 0.757 -1.216 8.293 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.730 -3.717 8.395 1.00 0.00 H new ATOM 0 H2' DA A 5 0.052 -4.275 10.580 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.403 -4.844 9.619 1.00 0.00 H new ATOM 0 H1' DA A 5 2.686 -2.818 9.985 1.00 0.00 H new ATOM 0 H8 DA A 5 0.034 -3.515 12.661 1.00 0.00 H new ATOM 0 H61 DA A 5 4.496 -2.373 16.769 1.00 0.00 H new ATOM 0 H62 DA A 5 2.766 -2.633 16.528 1.00 0.00 H new ATOM 0 H2 DA A 5 6.359 -2.447 12.690 1.00 0.00 H new ATOM 159 P DC A 6 1.279 -4.815 6.741 1.00 0.00 P ATOM 160 OP1 DC A 6 1.627 -4.560 5.325 1.00 0.00 O ATOM 161 OP2 DC A 6 0.186 -5.754 7.079 1.00 0.00 O ATOM 162 O5' DC A 6 2.610 -5.277 7.514 1.00 0.00 O ATOM 163 C5' DC A 6 3.779 -4.482 7.483 1.00 0.00 C ATOM 164 C4' DC A 6 4.819 -5.052 8.443 1.00 0.00 C ATOM 165 O4' DC A 6 4.333 -4.902 9.758 1.00 0.00 O ATOM 166 C3' DC A 6 5.176 -6.529 8.262 1.00 0.00 C ATOM 167 O3' DC A 6 6.384 -6.697 7.537 1.00 0.00 O ATOM 168 C2' DC A 6 5.241 -7.043 9.698 1.00 0.00 C ATOM 169 C1' DC A 6 5.055 -5.803 10.554 1.00 0.00 C ATOM 170 N1 DC A 6 4.333 -6.086 11.821 1.00 0.00 N ATOM 171 C2 DC A 6 5.003 -5.913 13.030 1.00 0.00 C ATOM 172 O2 DC A 6 6.218 -5.740 13.073 1.00 0.00 O ATOM 173 N3 DC A 6 4.279 -5.938 14.181 1.00 0.00 N ATOM 174 C4 DC A 6 2.957 -6.158 14.172 1.00 0.00 C ATOM 175 N4 DC A 6 2.300 -6.106 15.334 1.00 0.00 N ATOM 176 C5 DC A 6 2.254 -6.397 12.942 1.00 0.00 C ATOM 177 C6 DC A 6 2.987 -6.356 11.804 1.00 0.00 C ATOM 0 H5' DC A 6 3.539 -3.456 7.760 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.183 -4.453 6.471 1.00 0.00 H new ATOM 0 H4' DC A 6 5.731 -4.494 8.230 1.00 0.00 H new ATOM 0 H3' DC A 6 4.455 -7.086 7.664 1.00 0.00 H new ATOM 0 H2' DC A 6 4.461 -7.780 9.892 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.195 -7.528 9.903 1.00 0.00 H new ATOM 0 H1' DC A 6 6.021 -5.402 10.860 1.00 0.00 H new ATOM 0 H41 DC A 6 1.293 -6.269 15.358 1.00 0.00 H new ATOM 0 H42 DC A 6 2.805 -5.903 16.197 1.00 0.00 H new ATOM 0 H5 DC A 6 1.193 -6.599 12.926 1.00 0.00 H new ATOM 0 H6 DC A 6 2.500 -6.541 10.858 1.00 0.00 H new ATOM 189 P DG A 7 7.018 -8.159 7.242 1.00 0.00 P ATOM 190 OP1 DG A 7 7.976 -8.027 6.123 1.00 0.00 O ATOM 191 OP2 DG A 7 5.916 -9.143 7.156 1.00 0.00 O ATOM 192 O5' DG A 7 7.856 -8.458 8.591 1.00 0.00 O ATOM 193 C5' DG A 7 8.950 -7.639 8.955 1.00 0.00 C ATOM 194 C4' DG A 7 9.578 -8.034 10.293 1.00 0.00 C ATOM 195 O4' DG A 7 8.682 -7.776 11.364 1.00 0.00 O ATOM 196 C3' DG A 7 9.958 -9.522 10.322 1.00 0.00 C ATOM 197 O3' DG A 7 11.290 -9.674 10.782 1.00 0.00 O ATOM 198 C2' DG A 7 8.906 -10.066 11.276 1.00 0.00 C ATOM 199 C1' DG A 7 8.706 -8.894 12.226 1.00 0.00 C ATOM 200 N9 DG A 7 7.434 -9.004 12.973 1.00 0.00 N ATOM 201 C8 DG A 7 6.200 -9.345 12.485 1.00 0.00 C ATOM 202 N7 DG A 7 5.229 -9.226 13.345 1.00 0.00 N ATOM 203 C5 DG A 7 5.871 -8.818 14.509 1.00 0.00 C ATOM 204 C6 DG A 7 5.335 -8.561 15.807 1.00 0.00 C ATOM 205 O6 DG A 7 4.156 -8.549 16.146 1.00 0.00 O ATOM 206 N1 DG A 7 6.326 -8.302 16.750 1.00 0.00 N ATOM 207 C2 DG A 7 7.679 -8.269 16.470 1.00 0.00 C ATOM 208 N2 DG A 7 8.509 -8.042 17.493 1.00 0.00 N ATOM 209 N3 DG A 7 8.180 -8.456 15.239 1.00 0.00 N ATOM 210 C4 DG A 7 7.228 -8.731 14.306 1.00 0.00 C ATOM 0 H5' DG A 7 8.618 -6.602 9.009 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.710 -7.690 8.175 1.00 0.00 H new ATOM 0 H4' DG A 7 10.480 -7.433 10.408 1.00 0.00 H new ATOM 0 H3' DG A 7 9.957 -10.040 9.363 1.00 0.00 H new ATOM 0 H2' DG A 7 7.985 -10.334 10.758 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.250 -10.960 11.797 1.00 0.00 H new ATOM 0 H1' DG A 7 9.484 -8.839 12.988 1.00 0.00 H new ATOM 0 H8 DG A 7 6.045 -9.684 11.471 1.00 0.00 H new ATOM 0 H1 DG A 7 6.034 -8.125 17.711 1.00 0.00 H new ATOM 0 H21 DG A 7 9.516 -8.009 17.335 1.00 0.00 H new ATOM 0 H22 DG A 7 8.135 -7.902 18.432 1.00 0.00 H new ATOM 222 P DC A 8 11.978 -11.124 10.961 1.00 0.00 P ATOM 223 OP1 DC A 8 13.446 -10.958 10.870 1.00 0.00 O ATOM 224 OP2 DC A 8 11.289 -12.093 10.079 1.00 0.00 O ATOM 225 O5' DC A 8 11.598 -11.469 12.487 1.00 0.00 O ATOM 226 C5' DC A 8 12.228 -10.795 13.557 1.00 0.00 C ATOM 227 C4' DC A 8 11.586 -11.153 14.897 1.00 0.00 C ATOM 228 O4' DC A 8 10.231 -10.770 14.901 1.00 0.00 O ATOM 229 C3' DC A 8 11.573 -12.648 15.220 1.00 0.00 C ATOM 230 O3' DC A 8 12.780 -13.081 15.809 1.00 0.00 O ATOM 231 C2' DC A 8 10.395 -12.757 16.188 1.00 0.00 C ATOM 232 C1' DC A 8 9.611 -11.458 15.967 1.00 0.00 C ATOM 233 N1 DC A 8 8.182 -11.726 15.653 1.00 0.00 N ATOM 234 C2 DC A 8 7.221 -11.552 16.650 1.00 0.00 C ATOM 235 O2 DC A 8 7.536 -11.258 17.802 1.00 0.00 O ATOM 236 N3 DC A 8 5.909 -11.715 16.323 1.00 0.00 N ATOM 237 C4 DC A 8 5.537 -12.049 15.078 1.00 0.00 C ATOM 238 N4 DC A 8 4.232 -12.141 14.807 1.00 0.00 N ATOM 239 C5 DC A 8 6.512 -12.273 14.045 1.00 0.00 C ATOM 240 C6 DC A 8 7.810 -12.098 14.383 1.00 0.00 C ATOM 0 H5' DC A 8 12.166 -9.718 13.398 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.287 -11.053 13.579 1.00 0.00 H new ATOM 0 H4' DC A 8 12.197 -10.630 15.633 1.00 0.00 H new ATOM 0 H3' DC A 8 11.475 -13.279 14.336 1.00 0.00 H new ATOM 0 H2' DC A 8 9.783 -13.634 15.975 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.734 -12.848 17.220 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.725 -14.041 15.999 1.00 0.00 H new ATOM 0 H1' DC A 8 9.622 -10.859 16.878 1.00 0.00 H new ATOM 0 H41 DC A 8 3.923 -12.393 13.868 1.00 0.00 H new ATOM 0 H42 DC A 8 3.545 -11.959 15.539 1.00 0.00 H new ATOM 0 H5 DC A 8 6.222 -12.567 13.047 1.00 0.00 H new ATOM 0 H6 DC A 8 8.574 -12.255 13.636 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.131 -12.994 24.797 1.00 0.00 O ATOM 255 C5' DG B 1 -0.968 -11.593 24.866 1.00 0.00 C ATOM 256 C4' DG B 1 0.523 -11.237 24.906 1.00 0.00 C ATOM 257 O4' DG B 1 1.141 -11.641 23.689 1.00 0.00 O ATOM 258 C3' DG B 1 0.746 -9.728 25.070 1.00 0.00 C ATOM 259 O3' DG B 1 1.931 -9.488 25.809 1.00 0.00 O ATOM 260 C2' DG B 1 0.877 -9.343 23.606 1.00 0.00 C ATOM 261 C1' DG B 1 1.711 -10.502 23.078 1.00 0.00 C ATOM 262 N9 DG B 1 1.676 -10.593 21.595 1.00 0.00 N ATOM 263 C8 DG B 1 0.591 -10.683 20.751 1.00 0.00 C ATOM 264 N7 DG B 1 0.902 -10.779 19.489 1.00 0.00 N ATOM 265 C5 DG B 1 2.291 -10.763 19.483 1.00 0.00 C ATOM 266 C6 DG B 1 3.201 -10.873 18.389 1.00 0.00 C ATOM 267 O6 DG B 1 2.934 -11.000 17.196 1.00 0.00 O ATOM 268 N1 DG B 1 4.532 -10.825 18.798 1.00 0.00 N ATOM 269 C2 DG B 1 4.940 -10.702 20.114 1.00 0.00 C ATOM 270 N2 DG B 1 6.255 -10.663 20.349 1.00 0.00 N ATOM 271 N3 DG B 1 4.083 -10.619 21.145 1.00 0.00 N ATOM 272 C4 DG B 1 2.776 -10.654 20.766 1.00 0.00 C ATOM 0 H5' DG B 1 -1.467 -11.204 25.754 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.439 -11.121 24.004 1.00 0.00 H new ATOM 0 H4' DG B 1 0.957 -11.754 25.762 1.00 0.00 H new ATOM 0 H3' DG B 1 -0.021 -9.174 25.612 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.091 -9.271 23.110 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.375 -8.382 23.475 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.086 -13.211 24.773 1.00 0.00 H new ATOM 0 H1' DG B 1 2.769 -10.387 23.315 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.429 -10.675 21.105 1.00 0.00 H new ATOM 0 H1 DG B 1 5.253 -10.885 18.079 1.00 0.00 H new ATOM 0 H21 DG B 1 6.600 -10.573 21.305 1.00 0.00 H new ATOM 0 H22 DG B 1 6.914 -10.723 19.573 1.00 0.00 H new ATOM 285 P DC B 2 2.463 -7.996 26.136 1.00 0.00 P ATOM 286 OP1 DC B 2 2.838 -7.947 27.566 1.00 0.00 O ATOM 287 OP2 DC B 2 1.495 -7.013 25.599 1.00 0.00 O ATOM 288 O5' DC B 2 3.813 -7.906 25.251 1.00 0.00 O ATOM 289 C5' DC B 2 4.954 -8.665 25.598 1.00 0.00 C ATOM 290 C4' DC B 2 6.232 -8.285 24.853 1.00 0.00 C ATOM 291 O4' DC B 2 6.156 -8.621 23.479 1.00 0.00 O ATOM 292 C3' DC B 2 6.482 -6.782 24.991 1.00 0.00 C ATOM 293 O3' DC B 2 7.866 -6.556 25.195 1.00 0.00 O ATOM 294 C2' DC B 2 5.940 -6.302 23.666 1.00 0.00 C ATOM 295 C1' DC B 2 6.316 -7.439 22.721 1.00 0.00 C ATOM 296 N1 DC B 2 5.401 -7.472 21.558 1.00 0.00 N ATOM 297 C2 DC B 2 5.898 -7.491 20.254 1.00 0.00 C ATOM 298 O2 DC B 2 7.104 -7.546 20.026 1.00 0.00 O ATOM 299 N3 DC B 2 5.003 -7.449 19.223 1.00 0.00 N ATOM 300 C4 DC B 2 3.682 -7.364 19.450 1.00 0.00 C ATOM 301 N4 DC B 2 2.843 -7.368 18.411 1.00 0.00 N ATOM 302 C5 DC B 2 3.167 -7.365 20.789 1.00 0.00 C ATOM 303 C6 DC B 2 4.055 -7.452 21.788 1.00 0.00 C ATOM 0 H5' DC B 2 4.742 -9.718 25.412 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.130 -8.560 26.668 1.00 0.00 H new ATOM 0 H4' DC B 2 7.054 -8.847 25.296 1.00 0.00 H new ATOM 0 H3' DC B 2 6.018 -6.266 25.832 1.00 0.00 H new ATOM 0 H2' DC B 2 4.862 -6.145 23.702 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.390 -5.357 23.362 1.00 0.00 H new ATOM 0 H1' DC B 2 7.329 -7.322 22.337 1.00 0.00 H new ATOM 0 H41 DC B 2 1.837 -7.304 18.568 1.00 0.00 H new ATOM 0 H42 DC B 2 3.208 -7.435 17.461 1.00 0.00 H new ATOM 0 H5 DC B 2 2.107 -7.298 20.984 1.00 0.00 H new ATOM 0 H6 DC B 2 3.696 -7.508 22.805 1.00 0.00 H new ATOM 315 P DG B 3 8.546 -5.093 25.113 1.00 0.00 P ATOM 316 OP1 DG B 3 9.712 -5.074 26.024 1.00 0.00 O ATOM 317 OP2 DG B 3 7.494 -4.060 25.244 1.00 0.00 O ATOM 318 O5' DG B 3 9.090 -5.091 23.591 1.00 0.00 O ATOM 319 C5' DG B 3 10.116 -5.987 23.207 1.00 0.00 C ATOM 320 C4' DG B 3 10.655 -5.730 21.810 1.00 0.00 C ATOM 321 O4' DG B 3 9.655 -5.896 20.820 1.00 0.00 O ATOM 322 C3' DG B 3 11.218 -4.310 21.766 1.00 0.00 C ATOM 323 O3' DG B 3 12.591 -4.328 21.416 1.00 0.00 O ATOM 324 C2' DG B 3 10.291 -3.668 20.750 1.00 0.00 C ATOM 325 C1' DG B 3 9.717 -4.809 19.923 1.00 0.00 C ATOM 326 N9 DG B 3 8.348 -4.531 19.437 1.00 0.00 N ATOM 327 C8 DG B 3 7.235 -4.225 20.176 1.00 0.00 C ATOM 328 N7 DG B 3 6.111 -4.322 19.527 1.00 0.00 N ATOM 329 C5 DG B 3 6.508 -4.689 18.248 1.00 0.00 C ATOM 330 C6 DG B 3 5.722 -4.999 17.100 1.00 0.00 C ATOM 331 O6 DG B 3 4.502 -5.125 17.036 1.00 0.00 O ATOM 332 N1 DG B 3 6.501 -5.165 15.959 1.00 0.00 N ATOM 333 C2 DG B 3 7.885 -5.140 15.943 1.00 0.00 C ATOM 334 N2 DG B 3 8.494 -5.328 14.769 1.00 0.00 N ATOM 335 N3 DG B 3 8.625 -4.969 17.049 1.00 0.00 N ATOM 336 C4 DG B 3 7.879 -4.739 18.163 1.00 0.00 C ATOM 0 H5' DG B 3 9.735 -7.007 23.259 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.935 -5.916 23.922 1.00 0.00 H new ATOM 0 H4' DG B 3 11.438 -6.457 21.593 1.00 0.00 H new ATOM 0 H3' DG B 3 11.229 -3.760 22.707 1.00 0.00 H new ATOM 0 H2' DG B 3 9.498 -3.108 21.245 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.832 -2.963 20.119 1.00 0.00 H new ATOM 0 H1' DG B 3 10.332 -4.983 19.040 1.00 0.00 H new ATOM 0 H8 DG B 3 7.286 -3.927 21.213 1.00 0.00 H new ATOM 0 H1 DG B 3 6.019 -5.316 15.073 1.00 0.00 H new ATOM 0 H21 DG B 3 9.513 -5.317 14.715 1.00 0.00 H new ATOM 0 H22 DG B 3 7.940 -5.483 13.926 1.00 0.00 H new ATOM 348 P DT B 4 13.460 -2.973 21.239 1.00 0.00 P ATOM 349 OP1 DT B 4 14.895 -3.335 21.261 1.00 0.00 O ATOM 350 OP2 DT B 4 12.941 -1.942 22.165 1.00 0.00 O ATOM 351 O5' DT B 4 13.064 -2.557 19.734 1.00 0.00 O ATOM 352 C5' DT B 4 13.284 -3.465 18.678 1.00 0.00 C ATOM 353 C4' DT B 4 12.630 -3.059 17.362 1.00 0.00 C ATOM 354 O4' DT B 4 11.226 -3.129 17.484 1.00 0.00 O ATOM 355 C3' DT B 4 13.004 -1.648 16.885 1.00 0.00 C ATOM 356 O3' DT B 4 13.729 -1.744 15.673 1.00 0.00 O ATOM 357 C2' DT B 4 11.631 -0.990 16.752 1.00 0.00 C ATOM 358 C1' DT B 4 10.694 -2.183 16.592 1.00 0.00 C ATOM 359 N1 DT B 4 9.310 -1.818 16.965 1.00 0.00 N ATOM 360 C2 DT B 4 8.287 -1.890 16.020 1.00 0.00 C ATOM 361 O2 DT B 4 8.479 -2.115 14.827 1.00 0.00 O ATOM 362 N3 DT B 4 7.001 -1.692 16.503 1.00 0.00 N ATOM 363 C4 DT B 4 6.662 -1.384 17.815 1.00 0.00 C ATOM 364 O4 DT B 4 5.483 -1.255 18.133 1.00 0.00 O ATOM 365 C5 DT B 4 7.799 -1.243 18.708 1.00 0.00 C ATOM 366 C7 DT B 4 7.599 -0.853 20.154 1.00 0.00 C ATOM 367 C6 DT B 4 9.055 -1.465 18.262 1.00 0.00 C ATOM 0 H5' DT B 4 12.908 -4.445 18.971 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.358 -3.570 18.521 1.00 0.00 H new ATOM 0 H4' DT B 4 13.006 -3.761 16.618 1.00 0.00 H new ATOM 0 H3' DT B 4 13.657 -1.072 17.541 1.00 0.00 H new ATOM 0 H2' DT B 4 11.381 -0.396 17.631 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.585 -0.322 15.892 1.00 0.00 H new ATOM 0 H1' DT B 4 10.635 -2.550 15.567 1.00 0.00 H new ATOM 0 H3 DT B 4 6.236 -1.781 15.835 1.00 0.00 H new ATOM 0 H71 DT B 4 8.391 -1.291 20.762 1.00 0.00 H new ATOM 0 H72 DT B 4 7.629 0.233 20.246 1.00 0.00 H new ATOM 0 H73 DT B 4 6.632 -1.219 20.499 1.00 0.00 H new ATOM 0 H6 DT B 4 9.882 -1.361 18.949 1.00 0.00 H new ATOM 380 P DA B 5 14.246 -0.445 14.869 1.00 0.00 P ATOM 381 OP1 DA B 5 15.452 -0.825 14.099 1.00 0.00 O ATOM 382 OP2 DA B 5 14.297 0.705 15.800 1.00 0.00 O ATOM 383 O5' DA B 5 13.037 -0.205 13.833 1.00 0.00 O ATOM 384 C5' DA B 5 12.750 -1.149 12.819 1.00 0.00 C ATOM 385 C4' DA B 5 11.598 -0.649 11.947 1.00 0.00 C ATOM 386 O4' DA B 5 10.396 -0.585 12.696 1.00 0.00 O ATOM 387 C3' DA B 5 11.873 0.747 11.363 1.00 0.00 C ATOM 388 O3' DA B 5 11.794 0.653 9.952 1.00 0.00 O ATOM 389 C2' DA B 5 10.780 1.589 12.029 1.00 0.00 C ATOM 390 C1' DA B 5 9.677 0.555 12.276 1.00 0.00 C ATOM 391 N9 DA B 5 8.738 0.964 13.342 1.00 0.00 N ATOM 392 C8 DA B 5 9.079 1.368 14.599 1.00 0.00 C ATOM 393 N7 DA B 5 8.094 1.424 15.448 1.00 0.00 N ATOM 394 C5 DA B 5 6.994 1.078 14.674 1.00 0.00 C ATOM 395 C6 DA B 5 5.623 0.948 14.974 1.00 0.00 C ATOM 396 N6 DA B 5 5.148 1.064 16.218 1.00 0.00 N ATOM 397 N1 DA B 5 4.769 0.670 13.971 1.00 0.00 N ATOM 398 C2 DA B 5 5.255 0.503 12.742 1.00 0.00 C ATOM 399 N3 DA B 5 6.525 0.543 12.341 1.00 0.00 N ATOM 400 C4 DA B 5 7.364 0.844 13.371 1.00 0.00 C ATOM 0 H5' DA B 5 12.488 -2.107 13.267 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.635 -1.316 12.205 1.00 0.00 H new ATOM 0 H4' DA B 5 11.502 -1.362 11.128 1.00 0.00 H new ATOM 0 H3' DA B 5 12.853 1.186 11.551 1.00 0.00 H new ATOM 0 H2' DA B 5 11.126 2.044 12.957 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.441 2.399 11.384 1.00 0.00 H new ATOM 0 H1' DA B 5 9.062 0.406 11.389 1.00 0.00 H new ATOM 0 H8 DA B 5 10.093 1.623 14.870 1.00 0.00 H new ATOM 0 H61 DA B 5 4.148 0.963 16.394 1.00 0.00 H new ATOM 0 H62 DA B 5 5.785 1.253 16.992 1.00 0.00 H new ATOM 0 H2 DA B 5 4.525 0.310 11.970 1.00 0.00 H new ATOM 412 P DC B 6 11.955 1.927 8.978 1.00 0.00 P ATOM 413 OP1 DC B 6 12.332 1.440 7.633 1.00 0.00 O ATOM 414 OP2 DC B 6 12.783 2.950 9.656 1.00 0.00 O ATOM 415 O5' DC B 6 10.438 2.451 8.920 1.00 0.00 O ATOM 416 C5' DC B 6 9.400 1.616 8.446 1.00 0.00 C ATOM 417 C4' DC B 6 8.049 2.288 8.675 1.00 0.00 C ATOM 418 O4' DC B 6 7.825 2.363 10.065 1.00 0.00 O ATOM 419 C3' DC B 6 7.888 3.704 8.117 1.00 0.00 C ATOM 420 O3' DC B 6 7.198 3.711 6.878 1.00 0.00 O ATOM 421 C2' DC B 6 7.151 4.430 9.240 1.00 0.00 C ATOM 422 C1' DC B 6 6.843 3.346 10.257 1.00 0.00 C ATOM 423 N1 DC B 6 6.865 3.850 11.654 1.00 0.00 N ATOM 424 C2 DC B 6 5.684 3.841 12.390 1.00 0.00 C ATOM 425 O2 DC B 6 4.597 3.627 11.860 1.00 0.00 O ATOM 426 N3 DC B 6 5.753 4.076 13.729 1.00 0.00 N ATOM 427 C4 DC B 6 6.918 4.347 14.332 1.00 0.00 C ATOM 428 N4 DC B 6 6.920 4.505 15.659 1.00 0.00 N ATOM 429 C5 DC B 6 8.142 4.418 13.583 1.00 0.00 C ATOM 430 C6 DC B 6 8.058 4.170 12.255 1.00 0.00 C ATOM 0 H5' DC B 6 9.430 0.655 8.960 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.540 1.414 7.384 1.00 0.00 H new ATOM 0 H4' DC B 6 7.334 1.669 8.133 1.00 0.00 H new ATOM 0 H3' DC B 6 8.832 4.190 7.870 1.00 0.00 H new ATOM 0 H2' DC B 6 7.767 5.218 9.674 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.239 4.903 8.875 1.00 0.00 H new ATOM 0 H1' DC B 6 5.835 2.959 10.110 1.00 0.00 H new ATOM 0 H41 DC B 6 7.792 4.712 16.147 1.00 0.00 H new ATOM 0 H42 DC B 6 6.050 4.419 16.184 1.00 0.00 H new ATOM 0 H5 DC B 6 9.083 4.657 14.056 1.00 0.00 H new ATOM 0 H6 DC B 6 8.952 4.225 11.652 1.00 0.00 H new ATOM 442 P DG B 7 6.851 5.084 6.091 1.00 0.00 P ATOM 443 OP1 DG B 7 6.558 4.744 4.681 1.00 0.00 O ATOM 444 OP2 DG B 7 7.894 6.085 6.405 1.00 0.00 O ATOM 445 O5' DG B 7 5.473 5.554 6.792 1.00 0.00 O ATOM 446 C5' DG B 7 4.308 4.759 6.695 1.00 0.00 C ATOM 447 C4' DG B 7 3.123 5.330 7.476 1.00 0.00 C ATOM 448 O4' DG B 7 3.369 5.274 8.873 1.00 0.00 O ATOM 449 C3' DG B 7 2.838 6.787 7.087 1.00 0.00 C ATOM 450 O3' DG B 7 1.459 6.955 6.808 1.00 0.00 O ATOM 451 C2' DG B 7 3.311 7.513 8.338 1.00 0.00 C ATOM 452 C1' DG B 7 2.972 6.509 9.430 1.00 0.00 C ATOM 453 N9 DG B 7 3.718 6.784 10.678 1.00 0.00 N ATOM 454 C8 DG B 7 5.046 7.095 10.811 1.00 0.00 C ATOM 455 N7 DG B 7 5.465 7.149 12.043 1.00 0.00 N ATOM 456 C5 DG B 7 4.318 6.901 12.790 1.00 0.00 C ATOM 457 C6 DG B 7 4.137 6.870 14.205 1.00 0.00 C ATOM 458 O6 DG B 7 4.997 6.956 15.077 1.00 0.00 O ATOM 459 N1 DG B 7 2.801 6.723 14.568 1.00 0.00 N ATOM 460 C2 DG B 7 1.759 6.593 13.670 1.00 0.00 C ATOM 461 N2 DG B 7 0.525 6.497 14.174 1.00 0.00 N ATOM 462 N3 DG B 7 1.935 6.565 12.339 1.00 0.00 N ATOM 463 C4 DG B 7 3.232 6.729 11.963 1.00 0.00 C ATOM 0 H5' DG B 7 4.528 3.757 7.062 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.030 4.660 5.646 1.00 0.00 H new ATOM 0 H4' DG B 7 2.256 4.719 7.226 1.00 0.00 H new ATOM 0 H3' DG B 7 3.328 7.151 6.184 1.00 0.00 H new ATOM 0 H2' DG B 7 4.378 7.734 8.303 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.793 8.462 8.480 1.00 0.00 H new ATOM 0 H1' DG B 7 1.919 6.539 9.711 1.00 0.00 H new ATOM 0 H8 DG B 7 5.691 7.280 9.965 1.00 0.00 H new ATOM 0 H1 DG B 7 2.577 6.710 15.563 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.275 6.400 13.549 1.00 0.00 H new ATOM 0 H22 DG B 7 0.383 6.521 15.184 1.00 0.00 H new ATOM 475 P DC B 8 0.830 8.387 6.404 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.411 8.151 5.635 1.00 0.00 O ATOM 477 OP2 DC B 8 1.901 9.236 5.836 1.00 0.00 O ATOM 478 O5' DC B 8 0.429 8.976 7.849 1.00 0.00 O ATOM 479 C5' DC B 8 -0.670 8.448 8.562 1.00 0.00 C ATOM 480 C4' DC B 8 -0.754 9.035 9.972 1.00 0.00 C ATOM 481 O4' DC B 8 0.408 8.714 10.699 1.00 0.00 O ATOM 482 C3' DC B 8 -0.840 10.561 10.025 1.00 0.00 C ATOM 483 O3' DC B 8 -2.162 11.033 9.869 1.00 0.00 O ATOM 484 C2' DC B 8 -0.284 10.868 11.414 1.00 0.00 C ATOM 485 C1' DC B 8 0.454 9.583 11.811 1.00 0.00 C ATOM 486 N1 DC B 8 1.863 9.856 12.199 1.00 0.00 N ATOM 487 C2 DC B 8 2.204 9.877 13.553 1.00 0.00 C ATOM 488 O2 DC B 8 1.355 9.754 14.432 1.00 0.00 O ATOM 489 N3 DC B 8 3.515 10.039 13.889 1.00 0.00 N ATOM 490 C4 DC B 8 4.462 10.190 12.951 1.00 0.00 C ATOM 491 N4 DC B 8 5.736 10.289 13.344 1.00 0.00 N ATOM 492 C5 DC B 8 4.128 10.212 11.553 1.00 0.00 C ATOM 493 C6 DC B 8 2.824 10.041 11.234 1.00 0.00 C ATOM 0 H5' DC B 8 -0.579 7.363 8.622 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.592 8.661 8.022 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.668 8.607 10.383 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.295 11.050 9.217 1.00 0.00 H new ATOM 0 H2' DC B 8 0.389 11.725 11.394 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.081 11.105 12.119 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.167 12.012 9.911 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.026 9.134 12.680 1.00 0.00 H new ATOM 0 H41 DC B 8 6.476 10.404 12.651 1.00 0.00 H new ATOM 0 H42 DC B 8 5.968 10.249 14.336 1.00 0.00 H new ATOM 0 H5 DC B 8 4.882 10.358 10.793 1.00 0.00 H new ATOM 0 H6 DC B 8 2.531 10.050 10.195 1.00 0.00 H new TER 506 DC B 8