USER MOD reduce.3.24.130724 H: found=0, std=0, add=241, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 241 hydrogens (18 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 57:sc= 1.36 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.43! (180deg=-7.12!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.217 -4.080 -7.618 1.00 0.00 O ATOM 2 C5' DG A 1 3.110 -4.225 -9.035 1.00 0.00 C ATOM 3 C4' DG A 1 1.685 -3.958 -9.521 1.00 0.00 C ATOM 4 O4' DG A 1 0.777 -4.849 -8.887 1.00 0.00 O ATOM 5 C3' DG A 1 1.178 -2.558 -9.230 1.00 0.00 C ATOM 6 O3' DG A 1 1.517 -1.684 -10.312 1.00 0.00 O ATOM 7 C2' DG A 1 -0.332 -2.735 -9.160 1.00 0.00 C ATOM 8 C1' DG A 1 -0.514 -4.219 -8.837 1.00 0.00 C ATOM 9 N9 DG A 1 -1.089 -4.462 -7.500 1.00 0.00 N ATOM 10 C8 DG A 1 -2.391 -4.364 -7.096 1.00 0.00 C ATOM 11 N7 DG A 1 -2.601 -4.612 -5.840 1.00 0.00 N ATOM 12 C5 DG A 1 -1.327 -4.903 -5.355 1.00 0.00 C ATOM 13 C6 DG A 1 -0.910 -5.253 -4.042 1.00 0.00 C ATOM 14 O6 DG A 1 -1.598 -5.373 -3.029 1.00 0.00 O ATOM 15 N1 DG A 1 0.460 -5.466 -3.981 1.00 0.00 N ATOM 16 C2 DG A 1 1.327 -5.357 -5.049 1.00 0.00 C ATOM 17 N2 DG A 1 2.611 -5.604 -4.792 1.00 0.00 N ATOM 18 N3 DG A 1 0.941 -5.025 -6.286 1.00 0.00 N ATOM 19 C4 DG A 1 -0.394 -4.813 -6.365 1.00 0.00 C ATOM 0 H5' DG A 1 3.410 -5.233 -9.322 1.00 0.00 H new ATOM 0 H5'' DG A 1 3.798 -3.536 -9.525 1.00 0.00 H new ATOM 0 H4' DG A 1 1.731 -4.095 -10.601 1.00 0.00 H new ATOM 0 H3' DG A 1 1.602 -2.127 -8.323 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.773 -2.102 -8.390 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.809 -2.470 -10.103 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.583 -4.685 -7.179 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.210 -4.627 -9.570 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.189 -4.099 -7.774 1.00 0.00 H new ATOM 0 H1 DG A 1 0.857 -5.723 -3.077 1.00 0.00 H new ATOM 0 H21 DG A 1 3.302 -5.540 -5.539 1.00 0.00 H new ATOM 0 H22 DG A 1 2.903 -5.857 -3.848 1.00 0.00 H new ATOM 32 P DG A 2 1.808 -0.127 -10.031 1.00 0.00 P ATOM 33 OP1 DG A 2 2.183 0.516 -11.310 1.00 0.00 O ATOM 34 OP2 DG A 2 2.713 -0.032 -8.864 1.00 0.00 O ATOM 35 O5' DG A 2 0.359 0.427 -9.592 1.00 0.00 O ATOM 36 C5' DG A 2 -0.726 0.436 -10.525 1.00 0.00 C ATOM 37 C4' DG A 2 -2.079 0.561 -9.824 1.00 0.00 C ATOM 38 O4' DG A 2 -2.252 -0.518 -8.918 1.00 0.00 O ATOM 39 C3' DG A 2 -2.244 1.837 -9.010 1.00 0.00 C ATOM 40 O3' DG A 2 -2.808 2.866 -9.824 1.00 0.00 O ATOM 41 C2' DG A 2 -3.223 1.437 -7.923 1.00 0.00 C ATOM 42 C1' DG A 2 -2.938 -0.052 -7.745 1.00 0.00 C ATOM 43 N9 DG A 2 -2.082 -0.346 -6.580 1.00 0.00 N ATOM 44 C8 DG A 2 -0.718 -0.382 -6.501 1.00 0.00 C ATOM 45 N7 DG A 2 -0.239 -0.639 -5.319 1.00 0.00 N ATOM 46 C5 DG A 2 -1.384 -0.790 -4.537 1.00 0.00 C ATOM 47 C6 DG A 2 -1.509 -1.082 -3.150 1.00 0.00 C ATOM 48 O6 DG A 2 -0.615 -1.261 -2.325 1.00 0.00 O ATOM 49 N1 DG A 2 -2.841 -1.150 -2.762 1.00 0.00 N ATOM 50 C2 DG A 2 -3.921 -0.959 -3.599 1.00 0.00 C ATOM 51 N2 DG A 2 -5.127 -1.068 -3.043 1.00 0.00 N ATOM 52 N3 DG A 2 -3.808 -0.683 -4.902 1.00 0.00 N ATOM 53 C4 DG A 2 -2.516 -0.613 -5.301 1.00 0.00 C ATOM 0 H5' DG A 2 -0.706 -0.481 -11.114 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.600 1.265 -11.221 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.815 0.565 -10.628 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.303 2.222 -8.618 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.055 1.994 -7.002 1.00 0.00 H new ATOM 0 H2'' DG A 2 -4.256 1.619 -8.221 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.895 -0.549 -7.587 1.00 0.00 H new ATOM 0 H8 DG A 2 -0.084 -0.210 -7.358 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.036 -1.357 -1.782 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.964 -0.937 -3.611 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.213 -1.282 -2.049 1.00 0.00 H new ATOM 65 P DG A 3 -2.628 4.409 -9.407 1.00 0.00 P ATOM 66 OP1 DG A 3 -3.021 5.250 -10.558 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.286 4.569 -8.799 1.00 0.00 O ATOM 68 O5' DG A 3 -3.733 4.587 -8.251 1.00 0.00 O ATOM 69 C5' DG A 3 -5.124 4.465 -8.558 1.00 0.00 C ATOM 70 C4' DG A 3 -5.997 4.739 -7.338 1.00 0.00 C ATOM 71 O4' DG A 3 -5.734 3.789 -6.318 1.00 0.00 O ATOM 72 C3' DG A 3 -5.786 6.121 -6.727 1.00 0.00 C ATOM 73 O3' DG A 3 -6.805 7.010 -7.195 1.00 0.00 O ATOM 74 C2' DG A 3 -5.941 5.911 -5.227 1.00 0.00 C ATOM 75 C1' DG A 3 -5.782 4.407 -5.029 1.00 0.00 C ATOM 76 N9 DG A 3 -4.550 4.027 -4.309 1.00 0.00 N ATOM 77 C8 DG A 3 -3.257 4.039 -4.749 1.00 0.00 C ATOM 78 N7 DG A 3 -2.373 3.655 -3.877 1.00 0.00 N ATOM 79 C5 DG A 3 -3.141 3.359 -2.753 1.00 0.00 C ATOM 80 C6 DG A 3 -2.738 2.891 -1.475 1.00 0.00 C ATOM 81 O6 DG A 3 -1.602 2.641 -1.077 1.00 0.00 O ATOM 82 N1 DG A 3 -3.826 2.719 -0.629 1.00 0.00 N ATOM 83 C2 DG A 3 -5.141 2.967 -0.968 1.00 0.00 C ATOM 84 N2 DG A 3 -6.048 2.739 -0.019 1.00 0.00 N ATOM 85 N3 DG A 3 -5.524 3.410 -2.169 1.00 0.00 N ATOM 86 C4 DG A 3 -4.476 3.583 -3.009 1.00 0.00 C ATOM 0 H5' DG A 3 -5.327 3.462 -8.933 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.383 5.162 -9.355 1.00 0.00 H new ATOM 0 H4' DG A 3 -7.022 4.674 -7.703 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.819 6.550 -6.989 1.00 0.00 H new ATOM 0 H2' DG A 3 -5.187 6.466 -4.669 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.914 6.256 -4.877 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.629 4.078 -4.426 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.989 4.345 -5.749 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.639 2.383 0.316 1.00 0.00 H new ATOM 0 H21 DG A 3 -7.037 2.903 -0.208 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.754 2.400 0.897 1.00 0.00 H new ATOM 98 P DG A 4 -6.498 8.047 -8.388 1.00 0.00 P ATOM 99 OP1 DG A 4 -5.066 8.413 -8.325 1.00 0.00 O ATOM 100 OP2 DG A 4 -7.533 9.106 -8.359 1.00 0.00 O ATOM 101 O5' DG A 4 -6.733 7.149 -9.703 1.00 0.00 O ATOM 102 C5' DG A 4 -8.054 6.944 -10.212 1.00 0.00 C ATOM 103 C4' DG A 4 -8.028 6.322 -11.606 1.00 0.00 C ATOM 104 O4' DG A 4 -7.383 7.221 -12.503 1.00 0.00 O ATOM 105 C3' DG A 4 -7.288 4.994 -11.669 1.00 0.00 C ATOM 106 O3' DG A 4 -7.969 4.118 -12.573 1.00 0.00 O ATOM 107 C2' DG A 4 -5.912 5.338 -12.222 1.00 0.00 C ATOM 108 C1' DG A 4 -6.072 6.734 -12.820 1.00 0.00 C ATOM 109 N9 DG A 4 -5.100 7.715 -12.305 1.00 0.00 N ATOM 110 C8 DG A 4 -4.597 7.845 -11.042 1.00 0.00 C ATOM 111 N7 DG A 4 -3.748 8.816 -10.883 1.00 0.00 N ATOM 112 C5 DG A 4 -3.676 9.387 -12.152 1.00 0.00 C ATOM 113 C6 DG A 4 -2.911 10.492 -12.611 1.00 0.00 C ATOM 114 O6 DG A 4 -2.132 11.197 -11.972 1.00 0.00 O ATOM 115 N1 DG A 4 -3.132 10.740 -13.960 1.00 0.00 N ATOM 116 C2 DG A 4 -3.981 10.014 -14.770 1.00 0.00 C ATOM 117 N2 DG A 4 -4.062 10.403 -16.043 1.00 0.00 N ATOM 118 N3 DG A 4 -4.702 8.974 -14.342 1.00 0.00 N ATOM 119 C4 DG A 4 -4.502 8.718 -13.028 1.00 0.00 C ATOM 0 H5' DG A 4 -8.583 7.896 -10.248 1.00 0.00 H new ATOM 0 H5'' DG A 4 -8.609 6.296 -9.534 1.00 0.00 H new ATOM 0 H4' DG A 4 -9.067 6.135 -11.879 1.00 0.00 H new ATOM 0 H3' DG A 4 -7.229 4.499 -10.700 1.00 0.00 H new ATOM 0 H2' DG A 4 -5.156 5.328 -11.437 1.00 0.00 H new ATOM 0 H2'' DG A 4 -5.597 4.618 -12.977 1.00 0.00 H new ATOM 0 H1' DG A 4 -5.905 6.633 -13.892 1.00 0.00 H new ATOM 0 H8 DG A 4 -4.884 7.188 -10.234 1.00 0.00 H new ATOM 0 H1 DG A 4 -2.628 11.519 -14.384 1.00 0.00 H new ATOM 0 H21 DG A 4 -4.673 9.905 -16.690 1.00 0.00 H new ATOM 0 H22 DG A 4 -3.513 11.198 -16.369 1.00 0.00 H new ATOM 131 P DC A 5 -9.141 3.146 -12.044 1.00 0.00 P ATOM 132 OP1 DC A 5 -9.809 2.543 -13.220 1.00 0.00 O ATOM 133 OP2 DC A 5 -9.939 3.888 -11.043 1.00 0.00 O ATOM 134 O5' DC A 5 -8.323 1.986 -11.279 1.00 0.00 O ATOM 135 C5' DC A 5 -7.341 1.215 -11.975 1.00 0.00 C ATOM 136 C4' DC A 5 -6.843 0.037 -11.135 1.00 0.00 C ATOM 137 O4' DC A 5 -6.338 0.451 -9.880 1.00 0.00 O ATOM 138 C3' DC A 5 -7.925 -0.995 -10.807 1.00 0.00 C ATOM 139 O3' DC A 5 -7.875 -2.040 -11.789 1.00 0.00 O ATOM 140 C2' DC A 5 -7.546 -1.561 -9.450 1.00 0.00 C ATOM 141 C1' DC A 5 -6.384 -0.685 -9.012 1.00 0.00 C ATOM 142 N1 DC A 5 -6.482 -0.200 -7.620 1.00 0.00 N ATOM 143 C2 DC A 5 -6.125 -1.084 -6.615 1.00 0.00 C ATOM 144 O2 DC A 5 -5.754 -2.221 -6.901 1.00 0.00 O ATOM 145 N3 DC A 5 -6.178 -0.654 -5.325 1.00 0.00 N ATOM 146 C4 DC A 5 -6.566 0.595 -5.031 1.00 0.00 C ATOM 147 N4 DC A 5 -6.605 0.986 -3.755 1.00 0.00 N ATOM 148 C5 DC A 5 -6.938 1.512 -6.067 1.00 0.00 C ATOM 149 C6 DC A 5 -6.881 1.075 -7.341 1.00 0.00 C ATOM 0 H5' DC A 5 -6.499 1.854 -12.241 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.765 0.843 -12.908 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.072 -0.406 -11.765 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.926 -0.564 -10.802 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.377 -1.507 -8.746 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.255 -2.609 -9.519 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.485 -1.299 -9.065 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.899 1.934 -3.521 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.341 0.336 -3.014 1.00 0.00 H new ATOM 0 H5 DC A 5 -7.253 2.519 -5.835 1.00 0.00 H new ATOM 0 H6 DC A 5 -7.153 1.739 -8.148 1.00 0.00 H new ATOM 161 P DG A 6 -9.131 -3.028 -12.008 1.00 0.00 P ATOM 162 OP1 DG A 6 -8.857 -3.868 -13.195 1.00 0.00 O ATOM 163 OP2 DG A 6 -10.369 -2.218 -11.950 1.00 0.00 O ATOM 164 O5' DG A 6 -9.080 -3.973 -10.699 1.00 0.00 O ATOM 165 C5' DG A 6 -10.232 -4.728 -10.308 1.00 0.00 C ATOM 166 C4' DG A 6 -10.030 -5.452 -8.975 1.00 0.00 C ATOM 167 O4' DG A 6 -8.975 -6.406 -9.063 1.00 0.00 O ATOM 168 C3' DG A 6 -9.658 -4.552 -7.811 1.00 0.00 C ATOM 169 O3' DG A 6 -10.842 -4.010 -7.222 1.00 0.00 O ATOM 170 C2' DG A 6 -8.988 -5.511 -6.837 1.00 0.00 C ATOM 171 C1' DG A 6 -8.431 -6.606 -7.750 1.00 0.00 C ATOM 172 N9 DG A 6 -6.965 -6.582 -7.854 1.00 0.00 N ATOM 173 C8 DG A 6 -6.176 -5.906 -8.737 1.00 0.00 C ATOM 174 N7 DG A 6 -4.898 -6.062 -8.565 1.00 0.00 N ATOM 175 C5 DG A 6 -4.828 -6.921 -7.468 1.00 0.00 C ATOM 176 C6 DG A 6 -3.694 -7.457 -6.803 1.00 0.00 C ATOM 177 O6 DG A 6 -2.506 -7.275 -7.058 1.00 0.00 O ATOM 178 N1 DG A 6 -4.064 -8.276 -5.745 1.00 0.00 N ATOM 179 C2 DG A 6 -5.362 -8.547 -5.367 1.00 0.00 C ATOM 180 N2 DG A 6 -5.515 -9.359 -4.320 1.00 0.00 N ATOM 181 N3 DG A 6 -6.432 -8.045 -5.991 1.00 0.00 N ATOM 182 C4 DG A 6 -6.091 -7.243 -7.027 1.00 0.00 C ATOM 0 H5' DG A 6 -10.465 -5.458 -11.083 1.00 0.00 H new ATOM 0 H5'' DG A 6 -11.091 -4.061 -10.230 1.00 0.00 H new ATOM 0 H4' DG A 6 -11.003 -5.904 -8.786 1.00 0.00 H new ATOM 0 H3' DG A 6 -9.026 -3.710 -8.095 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.198 -5.020 -6.269 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.698 -5.912 -6.114 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.712 -7.568 -7.320 1.00 0.00 H new ATOM 0 H8 DG A 6 -6.584 -5.286 -9.522 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.317 -8.712 -5.205 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.451 -9.597 -3.992 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.696 -9.741 -3.847 1.00 0.00 H new ATOM 194 P DG A 7 -10.778 -2.656 -6.349 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.140 -2.078 -6.302 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.646 -1.839 -6.838 1.00 0.00 O ATOM 197 O5' DG A 7 -10.408 -3.201 -4.877 1.00 0.00 O ATOM 198 C5' DG A 7 -11.292 -4.107 -4.215 1.00 0.00 C ATOM 199 C4' DG A 7 -10.919 -4.327 -2.746 1.00 0.00 C ATOM 200 O4' DG A 7 -9.633 -4.941 -2.569 1.00 0.00 O ATOM 201 C3' DG A 7 -10.848 -3.055 -1.892 1.00 0.00 C ATOM 202 O3' DG A 7 -12.156 -2.715 -1.414 1.00 0.00 O ATOM 203 C2' DG A 7 -9.967 -3.500 -0.715 1.00 0.00 C ATOM 204 C1' DG A 7 -9.466 -4.866 -1.161 1.00 0.00 C ATOM 205 N9 DG A 7 -8.058 -5.158 -0.796 1.00 0.00 N ATOM 206 C8 DG A 7 -7.580 -5.516 0.430 1.00 0.00 C ATOM 207 N7 DG A 7 -6.299 -5.688 0.503 1.00 0.00 N ATOM 208 C5 DG A 7 -5.864 -5.425 -0.789 1.00 0.00 C ATOM 209 C6 DG A 7 -4.544 -5.455 -1.316 1.00 0.00 C ATOM 210 O6 DG A 7 -3.496 -5.714 -0.727 1.00 0.00 O ATOM 211 N1 DG A 7 -4.524 -5.133 -2.662 1.00 0.00 N ATOM 212 C2 DG A 7 -5.636 -4.818 -3.418 1.00 0.00 C ATOM 213 N2 DG A 7 -5.409 -4.541 -4.700 1.00 0.00 N ATOM 214 N3 DG A 7 -6.889 -4.786 -2.927 1.00 0.00 N ATOM 215 C4 DG A 7 -6.929 -5.099 -1.607 1.00 0.00 C ATOM 0 H5' DG A 7 -11.282 -5.064 -4.736 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.310 -3.723 -4.274 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.738 -4.967 -2.418 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.468 -2.185 -2.428 1.00 0.00 H new ATOM 0 H2' DG A 7 -9.145 -2.806 -0.541 1.00 0.00 H new ATOM 0 H2'' DG A 7 -10.535 -3.562 0.214 1.00 0.00 H new ATOM 0 H1' DG A 7 -10.051 -5.620 -0.634 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.228 -5.647 1.284 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.619 -5.128 -3.132 1.00 0.00 H new ATOM 0 H21 DG A 7 -6.186 -4.300 -5.315 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.458 -4.570 -5.067 1.00 0.00 H new ATOM 227 P DG A 8 -12.524 -1.201 -1.013 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.951 -1.165 -0.620 1.00 0.00 O ATOM 229 OP2 DG A 8 -12.031 -0.307 -2.083 1.00 0.00 O ATOM 230 O5' DG A 8 -11.630 -0.957 0.305 1.00 0.00 O ATOM 231 C5' DG A 8 -11.868 -1.725 1.488 1.00 0.00 C ATOM 232 C4' DG A 8 -10.639 -1.780 2.389 1.00 0.00 C ATOM 233 O4' DG A 8 -9.480 -2.225 1.676 1.00 0.00 O ATOM 234 C3' DG A 8 -10.238 -0.438 2.984 1.00 0.00 C ATOM 235 O3' DG A 8 -10.894 -0.248 4.240 1.00 0.00 O ATOM 236 C2' DG A 8 -8.732 -0.572 3.210 1.00 0.00 C ATOM 237 C1' DG A 8 -8.365 -1.875 2.495 1.00 0.00 C ATOM 238 N9 DG A 8 -7.172 -1.781 1.632 1.00 0.00 N ATOM 239 C8 DG A 8 -7.078 -1.419 0.319 1.00 0.00 C ATOM 240 N7 DG A 8 -5.873 -1.420 -0.168 1.00 0.00 N ATOM 241 C5 DG A 8 -5.091 -1.821 0.915 1.00 0.00 C ATOM 242 C6 DG A 8 -3.685 -2.013 1.006 1.00 0.00 C ATOM 243 O6 DG A 8 -2.835 -1.857 0.131 1.00 0.00 O ATOM 244 N1 DG A 8 -3.308 -2.422 2.279 1.00 0.00 N ATOM 245 C2 DG A 8 -4.172 -2.625 3.334 1.00 0.00 C ATOM 246 N2 DG A 8 -3.624 -3.026 4.482 1.00 0.00 N ATOM 247 N3 DG A 8 -5.493 -2.444 3.253 1.00 0.00 N ATOM 248 C4 DG A 8 -5.881 -2.044 2.020 1.00 0.00 C ATOM 0 H5' DG A 8 -12.160 -2.738 1.210 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.703 -1.293 2.039 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.941 -2.467 3.179 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.502 0.404 2.344 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.189 0.277 2.796 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.490 -0.618 4.272 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.130 -2.615 3.260 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.942 -1.151 -0.272 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.315 -2.585 2.446 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.213 -3.192 5.298 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.616 -3.166 4.544 1.00 0.00 H new ATOM 260 P DG A 9 -10.778 1.161 5.008 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.835 1.214 6.043 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.687 2.231 3.990 1.00 0.00 O ATOM 263 O5' DG A 9 -9.351 1.046 5.747 1.00 0.00 O ATOM 264 C5' DG A 9 -9.079 -0.035 6.646 1.00 0.00 C ATOM 265 C4' DG A 9 -7.591 -0.127 6.995 1.00 0.00 C ATOM 266 O4' DG A 9 -6.805 -0.065 5.787 1.00 0.00 O ATOM 267 C3' DG A 9 -7.082 1.020 7.887 1.00 0.00 C ATOM 268 O3' DG A 9 -6.130 0.514 8.833 1.00 0.00 O ATOM 269 C2' DG A 9 -6.348 1.909 6.903 1.00 0.00 C ATOM 270 C1' DG A 9 -5.731 0.831 6.052 1.00 0.00 C ATOM 271 N9 DG A 9 -5.128 1.272 4.785 1.00 0.00 N ATOM 272 C8 DG A 9 -5.713 1.729 3.639 1.00 0.00 C ATOM 273 N7 DG A 9 -4.881 2.053 2.691 1.00 0.00 N ATOM 274 C5 DG A 9 -3.633 1.786 3.259 1.00 0.00 C ATOM 275 C6 DG A 9 -2.326 1.936 2.717 1.00 0.00 C ATOM 276 O6 DG A 9 -2.003 2.350 1.605 1.00 0.00 O ATOM 277 N1 DG A 9 -1.349 1.548 3.630 1.00 0.00 N ATOM 278 C2 DG A 9 -1.597 1.074 4.901 1.00 0.00 C ATOM 279 N2 DG A 9 -0.534 0.746 5.634 1.00 0.00 N ATOM 280 N3 DG A 9 -2.820 0.934 5.409 1.00 0.00 N ATOM 281 C4 DG A 9 -3.783 1.307 4.537 1.00 0.00 C ATOM 0 H5' DG A 9 -9.405 -0.973 6.195 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.659 0.098 7.560 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.484 -1.068 7.534 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.878 1.518 8.441 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.016 2.562 6.341 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.606 2.548 7.381 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.888 0.399 6.591 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.784 1.815 3.527 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.375 1.620 3.336 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.658 0.390 6.582 1.00 0.00 H new ATOM 0 H22 DG A 9 0.404 0.851 5.247 1.00 0.00 H new ATOM 293 P DC A 10 -6.591 -0.146 10.224 1.00 0.00 P ATOM 294 OP1 DC A 10 -7.836 0.521 10.665 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.417 -0.190 11.125 1.00 0.00 O ATOM 296 O5' DC A 10 -6.946 -1.654 9.792 1.00 0.00 O ATOM 297 C5' DC A 10 -5.901 -2.595 9.529 1.00 0.00 C ATOM 298 C4' DC A 10 -6.454 -4.005 9.361 1.00 0.00 C ATOM 299 O4' DC A 10 -7.052 -4.428 10.588 1.00 0.00 O ATOM 300 C3' DC A 10 -7.516 -4.115 8.279 1.00 0.00 C ATOM 301 O3' DC A 10 -7.461 -5.413 7.683 1.00 0.00 O ATOM 302 C2' DC A 10 -8.820 -3.953 9.041 1.00 0.00 C ATOM 303 C1' DC A 10 -8.479 -4.467 10.439 1.00 0.00 C ATOM 304 N1 DC A 10 -9.059 -3.671 11.538 1.00 0.00 N ATOM 305 C2 DC A 10 -10.330 -4.013 11.972 1.00 0.00 C ATOM 306 O2 DC A 10 -10.935 -4.939 11.436 1.00 0.00 O ATOM 307 N3 DC A 10 -10.877 -3.302 12.996 1.00 0.00 N ATOM 308 C4 DC A 10 -10.204 -2.296 13.572 1.00 0.00 C ATOM 309 N4 DC A 10 -10.768 -1.622 14.574 1.00 0.00 N ATOM 310 C5 DC A 10 -8.892 -1.939 13.127 1.00 0.00 C ATOM 311 C6 DC A 10 -8.361 -2.648 12.111 1.00 0.00 C ATOM 0 H5' DC A 10 -5.181 -2.580 10.347 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.364 -2.303 8.626 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.608 -4.629 9.073 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.394 -3.384 7.480 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.146 -2.913 9.064 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.626 -4.530 8.586 1.00 0.00 H new ATOM 0 H1' DC A 10 -8.899 -5.470 10.513 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.265 -0.855 15.019 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.703 -1.874 14.895 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.346 -1.130 13.589 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.374 -2.404 11.747 1.00 0.00 H new ATOM 323 P DG A 11 -6.620 -5.650 6.330 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.508 -4.358 5.620 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.183 -6.830 5.636 1.00 0.00 O ATOM 326 O5' DG A 11 -5.162 -6.044 6.888 1.00 0.00 O ATOM 327 C5' DG A 11 -4.997 -7.200 7.708 1.00 0.00 C ATOM 328 C4' DG A 11 -3.527 -7.552 7.918 1.00 0.00 C ATOM 329 O4' DG A 11 -2.932 -8.040 6.710 1.00 0.00 O ATOM 330 C3' DG A 11 -2.659 -6.390 8.374 1.00 0.00 C ATOM 331 O3' DG A 11 -2.639 -6.336 9.805 1.00 0.00 O ATOM 332 C2' DG A 11 -1.267 -6.741 7.851 1.00 0.00 C ATOM 333 C1' DG A 11 -1.518 -7.860 6.834 1.00 0.00 C ATOM 334 N9 DG A 11 -0.966 -7.577 5.495 1.00 0.00 N ATOM 335 C8 DG A 11 0.326 -7.676 5.073 1.00 0.00 C ATOM 336 N7 DG A 11 0.532 -7.349 3.834 1.00 0.00 N ATOM 337 C5 DG A 11 -0.738 -6.998 3.383 1.00 0.00 C ATOM 338 C6 DG A 11 -1.154 -6.551 2.100 1.00 0.00 C ATOM 339 O6 DG A 11 -0.468 -6.376 1.096 1.00 0.00 O ATOM 340 N1 DG A 11 -2.519 -6.305 2.065 1.00 0.00 N ATOM 341 C2 DG A 11 -3.381 -6.467 3.128 1.00 0.00 C ATOM 342 N2 DG A 11 -4.661 -6.174 2.897 1.00 0.00 N ATOM 343 N3 DG A 11 -2.995 -6.889 4.339 1.00 0.00 N ATOM 344 C4 DG A 11 -1.665 -7.135 4.393 1.00 0.00 C ATOM 0 H5' DG A 11 -5.509 -8.045 7.249 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.470 -7.028 8.675 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.554 -8.307 8.704 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.016 -5.425 8.014 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.788 -5.880 7.385 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.612 -7.074 8.656 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.013 -8.752 7.204 1.00 0.00 H new ATOM 0 H8 DG A 11 1.123 -8.004 5.724 1.00 0.00 H new ATOM 0 H1 DG A 11 -2.915 -5.979 1.184 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.350 -6.273 3.643 1.00 0.00 H new ATOM 0 H22 DG A 11 -4.952 -5.851 1.974 1.00 0.00 H new ATOM 356 P DG A 12 -2.532 -4.922 10.565 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.561 -5.174 12.024 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.514 -4.000 9.955 1.00 0.00 O ATOM 359 O5' DG A 12 -1.053 -4.423 10.170 1.00 0.00 O ATOM 360 C5' DG A 12 0.095 -5.150 10.612 1.00 0.00 C ATOM 361 C4' DG A 12 1.328 -4.825 9.771 1.00 0.00 C ATOM 362 O4' DG A 12 1.089 -5.097 8.399 1.00 0.00 O ATOM 363 C3' DG A 12 1.752 -3.364 9.828 1.00 0.00 C ATOM 364 O3' DG A 12 2.692 -3.183 10.889 1.00 0.00 O ATOM 365 C2' DG A 12 2.431 -3.112 8.486 1.00 0.00 C ATOM 366 C1' DG A 12 1.897 -4.234 7.590 1.00 0.00 C ATOM 367 N9 DG A 12 1.064 -3.762 6.469 1.00 0.00 N ATOM 368 C8 DG A 12 -0.282 -3.528 6.434 1.00 0.00 C ATOM 369 N7 DG A 12 -0.739 -3.108 5.292 1.00 0.00 N ATOM 370 C5 DG A 12 0.401 -3.058 4.492 1.00 0.00 C ATOM 371 C6 DG A 12 0.542 -2.670 3.131 1.00 0.00 C ATOM 372 O6 DG A 12 -0.328 -2.283 2.355 1.00 0.00 O ATOM 373 N1 DG A 12 1.861 -2.766 2.709 1.00 0.00 N ATOM 374 C2 DG A 12 2.917 -3.181 3.494 1.00 0.00 C ATOM 375 N2 DG A 12 4.114 -3.211 2.909 1.00 0.00 N ATOM 376 N3 DG A 12 2.789 -3.543 4.774 1.00 0.00 N ATOM 377 C4 DG A 12 1.509 -3.458 5.206 1.00 0.00 C ATOM 0 H5' DG A 12 -0.109 -6.219 10.560 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.295 -4.914 11.657 1.00 0.00 H new ATOM 0 H4' DG A 12 2.113 -5.450 10.197 1.00 0.00 H new ATOM 0 H3' DG A 12 0.916 -2.687 10.005 1.00 0.00 H new ATOM 0 H2' DG A 12 2.179 -2.129 8.089 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.517 -3.152 8.573 1.00 0.00 H new ATOM 0 H1' DG A 12 2.764 -4.734 7.158 1.00 0.00 H new ATOM 0 H8 DG A 12 -0.919 -3.681 7.292 1.00 0.00 H new ATOM 0 H1 DG A 12 2.065 -2.510 1.743 1.00 0.00 H new ATOM 0 H21 DG A 12 4.933 -3.509 3.439 1.00 0.00 H new ATOM 0 H22 DG A 12 4.211 -2.936 1.932 1.00 0.00 H new ATOM 389 P DG A 13 3.031 -1.707 11.433 1.00 0.00 P ATOM 390 OP1 DG A 13 3.720 -1.840 12.736 1.00 0.00 O ATOM 391 OP2 DG A 13 1.806 -0.881 11.328 1.00 0.00 O ATOM 392 O5' DG A 13 4.096 -1.172 10.351 1.00 0.00 O ATOM 393 C5' DG A 13 5.340 -1.854 10.168 1.00 0.00 C ATOM 394 C4' DG A 13 6.117 -1.317 8.969 1.00 0.00 C ATOM 395 O4' DG A 13 5.362 -1.445 7.787 1.00 0.00 O ATOM 396 C3' DG A 13 6.493 0.154 9.072 1.00 0.00 C ATOM 397 O3' DG A 13 7.795 0.275 9.644 1.00 0.00 O ATOM 398 C2' DG A 13 6.520 0.637 7.622 1.00 0.00 C ATOM 399 C1' DG A 13 5.742 -0.433 6.853 1.00 0.00 C ATOM 400 N9 DG A 13 4.518 0.066 6.198 1.00 0.00 N ATOM 401 C8 DG A 13 3.262 0.215 6.712 1.00 0.00 C ATOM 402 N7 DG A 13 2.379 0.688 5.884 1.00 0.00 N ATOM 403 C5 DG A 13 3.110 0.873 4.712 1.00 0.00 C ATOM 404 C6 DG A 13 2.694 1.369 3.446 1.00 0.00 C ATOM 405 O6 DG A 13 1.576 1.756 3.107 1.00 0.00 O ATOM 406 N1 DG A 13 3.745 1.391 2.536 1.00 0.00 N ATOM 407 C2 DG A 13 5.035 0.986 2.808 1.00 0.00 C ATOM 408 N2 DG A 13 5.907 1.076 1.804 1.00 0.00 N ATOM 409 N3 DG A 13 5.430 0.523 3.997 1.00 0.00 N ATOM 410 C4 DG A 13 4.420 0.493 4.896 1.00 0.00 C ATOM 0 H5' DG A 13 5.153 -2.919 10.031 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.946 -1.750 11.068 1.00 0.00 H new ATOM 0 H4' DG A 13 7.028 -1.915 8.953 1.00 0.00 H new ATOM 0 H3' DG A 13 5.804 0.725 9.693 1.00 0.00 H new ATOM 0 H2' DG A 13 6.055 1.617 7.520 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.541 0.729 7.252 1.00 0.00 H new ATOM 0 H1' DG A 13 6.395 -0.799 6.061 1.00 0.00 H new ATOM 0 H8 DG A 13 3.020 -0.042 7.733 1.00 0.00 H new ATOM 0 H1 DG A 13 3.547 1.733 1.596 1.00 0.00 H new ATOM 0 H21 DG A 13 6.877 0.792 1.944 1.00 0.00 H new ATOM 0 H22 DG A 13 5.605 1.429 0.896 1.00 0.00 H new ATOM 422 P DG A 14 8.162 1.540 10.567 1.00 0.00 P ATOM 423 OP1 DG A 14 9.452 1.267 11.240 1.00 0.00 O ATOM 424 OP2 DG A 14 6.968 1.886 11.372 1.00 0.00 O ATOM 425 O5' DG A 14 8.398 2.709 9.484 1.00 0.00 O ATOM 426 C5' DG A 14 9.373 2.553 8.445 1.00 0.00 C ATOM 427 C4' DG A 14 9.072 3.451 7.247 1.00 0.00 C ATOM 428 O4' DG A 14 7.707 3.251 6.847 1.00 0.00 O ATOM 429 C3' DG A 14 9.264 4.938 7.534 1.00 0.00 C ATOM 430 O3' DG A 14 10.448 5.404 6.878 1.00 0.00 O ATOM 431 C2' DG A 14 8.046 5.606 6.906 1.00 0.00 C ATOM 432 C1' DG A 14 7.007 4.496 6.875 1.00 0.00 C ATOM 433 N9 DG A 14 6.105 4.470 8.038 1.00 0.00 N ATOM 434 C8 DG A 14 6.395 4.222 9.347 1.00 0.00 C ATOM 435 N7 DG A 14 5.380 4.264 10.154 1.00 0.00 N ATOM 436 C5 DG A 14 4.314 4.566 9.309 1.00 0.00 C ATOM 437 C6 DG A 14 2.937 4.745 9.608 1.00 0.00 C ATOM 438 O6 DG A 14 2.378 4.674 10.701 1.00 0.00 O ATOM 439 N1 DG A 14 2.202 5.035 8.465 1.00 0.00 N ATOM 440 C2 DG A 14 2.725 5.141 7.192 1.00 0.00 C ATOM 441 N2 DG A 14 1.859 5.419 6.219 1.00 0.00 N ATOM 442 N3 DG A 14 4.020 4.978 6.910 1.00 0.00 N ATOM 443 C4 DG A 14 4.752 4.693 8.010 1.00 0.00 C ATOM 0 H5' DG A 14 9.397 1.512 8.122 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.363 2.788 8.837 1.00 0.00 H new ATOM 0 H4' DG A 14 9.779 3.173 6.465 1.00 0.00 H new ATOM 0 H3' DG A 14 9.362 5.150 8.599 1.00 0.00 H new ATOM 0 H2' DG A 14 7.706 6.457 7.496 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.264 5.979 5.905 1.00 0.00 H new ATOM 0 H1' DG A 14 6.385 4.673 5.997 1.00 0.00 H new ATOM 0 H8 DG A 14 7.397 4.006 9.687 1.00 0.00 H new ATOM 0 H1 DG A 14 1.199 5.181 8.575 1.00 0.00 H new ATOM 0 H21 DG A 14 2.185 5.510 5.257 1.00 0.00 H new ATOM 0 H22 DG A 14 0.870 5.541 6.436 1.00 0.00 H new ATOM 455 P DC A 15 10.809 4.921 5.386 1.00 0.00 P ATOM 456 OP1 DC A 15 11.728 5.914 4.785 1.00 0.00 O ATOM 457 OP2 DC A 15 9.549 4.568 4.696 1.00 0.00 O ATOM 458 O5' DC A 15 11.634 3.565 5.649 1.00 0.00 O ATOM 459 C5' DC A 15 12.566 3.090 4.676 1.00 0.00 C ATOM 460 C4' DC A 15 13.297 1.840 5.160 1.00 0.00 C ATOM 461 O4' DC A 15 14.114 2.181 6.286 1.00 0.00 O ATOM 462 C3' DC A 15 12.367 0.713 5.588 1.00 0.00 C ATOM 463 O3' DC A 15 12.961 -0.546 5.261 1.00 0.00 O ATOM 464 C2' DC A 15 12.301 0.865 7.096 1.00 0.00 C ATOM 465 C1' DC A 15 13.661 1.459 7.440 1.00 0.00 C ATOM 466 N1 DC A 15 13.646 2.396 8.579 1.00 0.00 N ATOM 467 C2 DC A 15 13.809 1.857 9.845 1.00 0.00 C ATOM 468 O2 DC A 15 13.947 0.644 9.982 1.00 0.00 O ATOM 469 N3 DC A 15 13.808 2.701 10.911 1.00 0.00 N ATOM 470 C4 DC A 15 13.654 4.021 10.744 1.00 0.00 C ATOM 471 N4 DC A 15 13.659 4.817 11.813 1.00 0.00 N ATOM 472 C5 DC A 15 13.485 4.583 9.440 1.00 0.00 C ATOM 473 C6 DC A 15 13.487 3.739 8.390 1.00 0.00 C ATOM 0 H5' DC A 15 13.291 3.873 4.454 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.041 2.868 3.747 1.00 0.00 H new ATOM 0 H4' DC A 15 13.883 1.483 4.313 1.00 0.00 H new ATOM 0 H3' DC A 15 11.390 0.753 5.107 1.00 0.00 H new ATOM 0 H2' DC A 15 11.485 1.521 7.400 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.142 -0.093 7.592 1.00 0.00 H new ATOM 0 H1' DC A 15 14.310 0.631 7.725 1.00 0.00 H new ATOM 0 H41 DC A 15 13.543 5.824 11.700 1.00 0.00 H new ATOM 0 H42 DC A 15 13.779 4.419 12.744 1.00 0.00 H new ATOM 0 H5 DC A 15 13.360 5.647 9.302 1.00 0.00 H new ATOM 0 H6 DC A 15 13.362 4.128 7.390 1.00 0.00 H new ATOM 485 P DG A 16 12.547 -1.320 3.913 1.00 0.00 P ATOM 486 OP1 DG A 16 13.179 -2.658 3.939 1.00 0.00 O ATOM 487 OP2 DG A 16 12.786 -0.413 2.768 1.00 0.00 O ATOM 488 O5' DG A 16 10.957 -1.510 4.090 1.00 0.00 O ATOM 489 C5' DG A 16 10.422 -2.134 5.263 1.00 0.00 C ATOM 490 C4' DG A 16 8.896 -2.120 5.264 1.00 0.00 C ATOM 491 O4' DG A 16 8.466 -0.758 5.168 1.00 0.00 O ATOM 492 C3' DG A 16 8.277 -2.895 4.110 1.00 0.00 C ATOM 493 O3' DG A 16 7.178 -3.672 4.599 1.00 0.00 O ATOM 494 C2' DG A 16 7.761 -1.841 3.135 1.00 0.00 C ATOM 495 C1' DG A 16 7.905 -0.514 3.876 1.00 0.00 C ATOM 496 N9 DG A 16 8.783 0.452 3.191 1.00 0.00 N ATOM 497 C8 DG A 16 9.968 0.233 2.549 1.00 0.00 C ATOM 498 N7 DG A 16 10.514 1.288 2.021 1.00 0.00 N ATOM 499 C5 DG A 16 9.614 2.304 2.336 1.00 0.00 C ATOM 500 C6 DG A 16 9.663 3.691 2.028 1.00 0.00 C ATOM 501 O6 DG A 16 10.525 4.303 1.401 1.00 0.00 O ATOM 502 N1 DG A 16 8.560 4.364 2.535 1.00 0.00 N ATOM 503 C2 DG A 16 7.533 3.779 3.250 1.00 0.00 C ATOM 504 N2 DG A 16 6.562 4.595 3.663 1.00 0.00 N ATOM 505 N3 DG A 16 7.482 2.476 3.538 1.00 0.00 N ATOM 506 C4 DG A 16 8.551 1.802 3.053 1.00 0.00 C ATOM 0 H5' DG A 16 10.791 -1.619 6.150 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.776 -3.163 5.322 1.00 0.00 H new ATOM 0 H4' DG A 16 8.570 -2.603 6.185 1.00 0.00 H new ATOM 0 H3' DG A 16 8.993 -3.568 3.638 1.00 0.00 H new ATOM 0 H2' DG A 16 8.339 -1.842 2.211 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.723 -2.030 2.862 1.00 0.00 H new ATOM 0 H1' DG A 16 6.905 -0.084 3.928 1.00 0.00 H new ATOM 0 H8 DG A 16 10.419 -0.746 2.485 1.00 0.00 H new ATOM 0 H1 DG A 16 8.503 5.368 2.367 1.00 0.00 H new ATOM 0 H21 DG A 16 5.776 4.223 4.196 1.00 0.00 H new ATOM 0 H22 DG A 16 6.606 5.591 3.446 1.00 0.00 H new ATOM 518 P DG A 17 7.329 -5.260 4.826 1.00 0.00 P ATOM 519 OP1 DG A 17 6.115 -5.747 5.518 1.00 0.00 O ATOM 520 OP2 DG A 17 8.667 -5.522 5.407 1.00 0.00 O ATOM 521 O5' DG A 17 7.306 -5.830 3.317 1.00 0.00 O ATOM 522 C5' DG A 17 8.136 -6.932 2.947 1.00 0.00 C ATOM 523 C4' DG A 17 8.443 -6.929 1.451 1.00 0.00 C ATOM 524 O4' DG A 17 7.340 -7.468 0.700 1.00 0.00 O ATOM 525 C3' DG A 17 8.737 -5.549 0.870 1.00 0.00 C ATOM 526 O3' DG A 17 10.156 -5.352 0.809 1.00 0.00 O ATOM 527 C2' DG A 17 8.161 -5.579 -0.548 1.00 0.00 C ATOM 528 C1' DG A 17 7.390 -6.902 -0.608 1.00 0.00 C ATOM 529 N9 DG A 17 6.007 -6.755 -1.084 1.00 0.00 N ATOM 530 C8 DG A 17 5.566 -6.586 -2.360 1.00 0.00 C ATOM 531 N7 DG A 17 4.280 -6.478 -2.491 1.00 0.00 N ATOM 532 C5 DG A 17 3.817 -6.584 -1.179 1.00 0.00 C ATOM 533 C6 DG A 17 2.487 -6.539 -0.677 1.00 0.00 C ATOM 534 O6 DG A 17 1.441 -6.396 -1.304 1.00 0.00 O ATOM 535 N1 DG A 17 2.459 -6.683 0.704 1.00 0.00 N ATOM 536 C2 DG A 17 3.570 -6.848 1.504 1.00 0.00 C ATOM 537 N2 DG A 17 3.341 -6.961 2.812 1.00 0.00 N ATOM 538 N3 DG A 17 4.822 -6.893 1.035 1.00 0.00 N ATOM 539 C4 DG A 17 4.870 -6.755 -0.310 1.00 0.00 C ATOM 0 H5' DG A 17 7.642 -7.866 3.216 1.00 0.00 H new ATOM 0 H5'' DG A 17 9.068 -6.891 3.510 1.00 0.00 H new ATOM 0 H4' DG A 17 9.341 -7.541 1.362 1.00 0.00 H new ATOM 0 H3' DG A 17 8.308 -4.747 1.470 1.00 0.00 H new ATOM 0 H2' DG A 17 7.506 -4.727 -0.731 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.949 -5.542 -1.300 1.00 0.00 H new ATOM 0 H1' DG A 17 7.920 -7.537 -1.317 1.00 0.00 H new ATOM 0 H8 DG A 17 6.239 -6.545 -3.204 1.00 0.00 H new ATOM 0 H1 DG A 17 1.547 -6.665 1.161 1.00 0.00 H new ATOM 0 H21 DG A 17 4.121 -7.085 3.457 1.00 0.00 H new ATOM 0 H22 DG A 17 2.386 -6.923 3.168 1.00 0.00 H new ATOM 551 P DG A 18 10.802 -3.937 1.224 1.00 0.00 P ATOM 552 OP1 DG A 18 12.269 -4.026 1.045 1.00 0.00 O ATOM 553 OP2 DG A 18 10.241 -3.547 2.539 1.00 0.00 O ATOM 554 O5' DG A 18 10.213 -2.947 0.096 1.00 0.00 O ATOM 555 C5' DG A 18 10.635 -3.081 -1.266 1.00 0.00 C ATOM 556 C4' DG A 18 9.657 -2.427 -2.238 1.00 0.00 C ATOM 557 O4' DG A 18 8.388 -3.047 -2.139 1.00 0.00 O ATOM 558 C3' DG A 18 9.423 -0.956 -1.983 1.00 0.00 C ATOM 559 O3' DG A 18 10.406 -0.184 -2.672 1.00 0.00 O ATOM 560 C2' DG A 18 8.049 -0.722 -2.602 1.00 0.00 C ATOM 561 C1' DG A 18 7.405 -2.109 -2.608 1.00 0.00 C ATOM 562 N9 DG A 18 6.216 -2.208 -1.739 1.00 0.00 N ATOM 563 C8 DG A 18 6.139 -2.493 -0.405 1.00 0.00 C ATOM 564 N7 DG A 18 4.937 -2.477 0.094 1.00 0.00 N ATOM 565 C5 DG A 18 4.139 -2.154 -1.003 1.00 0.00 C ATOM 566 C6 DG A 18 2.729 -1.989 -1.090 1.00 0.00 C ATOM 567 O6 DG A 18 1.892 -2.095 -0.195 1.00 0.00 O ATOM 568 N1 DG A 18 2.332 -1.668 -2.382 1.00 0.00 N ATOM 569 C2 DG A 18 3.184 -1.524 -3.458 1.00 0.00 C ATOM 570 N2 DG A 18 2.618 -1.219 -4.625 1.00 0.00 N ATOM 571 N3 DG A 18 4.508 -1.675 -3.379 1.00 0.00 N ATOM 572 C4 DG A 18 4.915 -1.989 -2.129 1.00 0.00 C ATOM 0 H5' DG A 18 10.736 -4.138 -1.511 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.620 -2.630 -1.386 1.00 0.00 H new ATOM 0 H4' DG A 18 10.117 -2.547 -3.219 1.00 0.00 H new ATOM 0 H3' DG A 18 9.480 -0.678 -0.931 1.00 0.00 H new ATOM 0 H2' DG A 18 7.463 -0.013 -2.017 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.129 -0.315 -3.610 1.00 0.00 H new ATOM 0 H1' DG A 18 7.073 -2.316 -3.625 1.00 0.00 H new ATOM 0 H8 DG A 18 7.011 -2.715 0.192 1.00 0.00 H new ATOM 0 H1 DG A 18 1.335 -1.528 -2.548 1.00 0.00 H new ATOM 0 H21 DG A 18 3.196 -1.100 -5.457 1.00 0.00 H new ATOM 0 H22 DG A 18 1.606 -1.105 -4.687 1.00 0.00 H new ATOM 584 P DG A 19 10.670 1.344 -2.251 1.00 0.00 P ATOM 585 OP1 DG A 19 11.927 1.792 -2.889 1.00 0.00 O ATOM 586 OP2 DG A 19 10.511 1.447 -0.782 1.00 0.00 O ATOM 587 O5' DG A 19 9.439 2.116 -2.953 1.00 0.00 O ATOM 588 C5' DG A 19 9.343 2.172 -4.380 1.00 0.00 C ATOM 589 C4' DG A 19 8.013 2.760 -4.849 1.00 0.00 C ATOM 590 O4' DG A 19 6.933 1.971 -4.374 1.00 0.00 O ATOM 591 C3' DG A 19 7.749 4.170 -4.365 1.00 0.00 C ATOM 592 O3' DG A 19 8.324 5.119 -5.267 1.00 0.00 O ATOM 593 C2' DG A 19 6.229 4.261 -4.417 1.00 0.00 C ATOM 594 C1' DG A 19 5.770 2.810 -4.274 1.00 0.00 C ATOM 595 N9 DG A 19 5.104 2.529 -2.989 1.00 0.00 N ATOM 596 C8 DG A 19 5.652 2.148 -1.798 1.00 0.00 C ATOM 597 N7 DG A 19 4.805 2.004 -0.821 1.00 0.00 N ATOM 598 C5 DG A 19 3.581 2.315 -1.412 1.00 0.00 C ATOM 599 C6 DG A 19 2.276 2.335 -0.848 1.00 0.00 C ATOM 600 O6 DG A 19 1.940 2.083 0.307 1.00 0.00 O ATOM 601 N1 DG A 19 1.321 2.700 -1.789 1.00 0.00 N ATOM 602 C2 DG A 19 1.586 3.005 -3.108 1.00 0.00 C ATOM 603 N2 DG A 19 0.537 3.327 -3.863 1.00 0.00 N ATOM 604 N3 DG A 19 2.811 2.990 -3.640 1.00 0.00 N ATOM 605 C4 DG A 19 3.757 2.635 -2.738 1.00 0.00 C ATOM 0 H5' DG A 19 9.459 1.168 -4.789 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.163 2.773 -4.774 1.00 0.00 H new ATOM 0 H4' DG A 19 8.086 2.771 -5.936 1.00 0.00 H new ATOM 0 H3' DG A 19 8.170 4.378 -3.381 1.00 0.00 H new ATOM 0 H2' DG A 19 5.838 4.885 -3.613 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.887 4.698 -5.355 1.00 0.00 H new ATOM 0 H1' DG A 19 5.040 2.616 -5.060 1.00 0.00 H new ATOM 0 H8 DG A 19 6.712 1.978 -1.676 1.00 0.00 H new ATOM 0 H1 DG A 19 0.350 2.746 -1.481 1.00 0.00 H new ATOM 0 H21 DG A 19 0.670 3.562 -4.847 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.399 3.338 -3.458 1.00 0.00 H new ATOM 617 P DT A 20 8.816 6.549 -4.719 1.00 0.00 P ATOM 618 OP1 DT A 20 9.443 7.292 -5.836 1.00 0.00 O ATOM 619 OP2 DT A 20 9.570 6.323 -3.467 1.00 0.00 O ATOM 620 O5' DT A 20 7.429 7.275 -4.346 1.00 0.00 O ATOM 621 C5' DT A 20 6.483 7.578 -5.370 1.00 0.00 C ATOM 622 C4' DT A 20 5.138 8.020 -4.794 1.00 0.00 C ATOM 623 O4' DT A 20 4.675 7.056 -3.829 1.00 0.00 O ATOM 624 C3' DT A 20 5.174 9.357 -4.067 1.00 0.00 C ATOM 625 O3' DT A 20 5.004 10.465 -4.962 1.00 0.00 O ATOM 626 C2' DT A 20 3.998 9.214 -3.115 1.00 0.00 C ATOM 627 C1' DT A 20 4.143 7.761 -2.698 1.00 0.00 C ATOM 628 N1 DT A 20 5.073 7.571 -1.576 1.00 0.00 N ATOM 629 C2 DT A 20 4.560 7.678 -0.301 1.00 0.00 C ATOM 630 O2 DT A 20 3.366 7.880 -0.092 1.00 0.00 O ATOM 631 N3 DT A 20 5.470 7.544 0.729 1.00 0.00 N ATOM 632 C4 DT A 20 6.827 7.313 0.592 1.00 0.00 C ATOM 633 O4 DT A 20 7.549 7.217 1.580 1.00 0.00 O ATOM 634 C5 DT A 20 7.270 7.211 -0.782 1.00 0.00 C ATOM 635 C7 DT A 20 8.745 6.967 -1.081 1.00 0.00 C ATOM 636 C6 DT A 20 6.401 7.338 -1.802 1.00 0.00 C ATOM 0 H5' DT A 20 6.337 6.700 -6.000 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.880 8.366 -6.009 1.00 0.00 H new ATOM 0 H4' DT A 20 4.483 8.110 -5.661 1.00 0.00 H new ATOM 0 H3' DT A 20 6.124 9.564 -3.574 1.00 0.00 H new ATOM 0 H2' DT A 20 4.067 9.896 -2.267 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.044 9.410 -3.605 1.00 0.00 H new ATOM 0 HO3' DT A 20 5.032 11.303 -4.454 1.00 0.00 H new ATOM 0 H1' DT A 20 3.166 7.399 -2.376 1.00 0.00 H new ATOM 0 H3 DT A 20 5.108 7.623 1.679 1.00 0.00 H new ATOM 0 H71 DT A 20 9.354 7.407 -0.291 1.00 0.00 H new ATOM 0 H72 DT A 20 8.934 5.895 -1.130 1.00 0.00 H new ATOM 0 H73 DT A 20 9.003 7.425 -2.036 1.00 0.00 H new ATOM 0 H6 DT A 20 6.759 7.254 -2.817 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.075 5.707 0.994 1.00 0.00 C HETATM 652 C2 BER A 101 -1.414 5.894 0.665 1.00 0.00 C HETATM 653 N1 BER A 101 0.280 5.648 2.284 1.00 0.00 N HETATM 654 C3 BER A 101 0.875 5.584 -0.013 1.00 0.00 C HETATM 655 C4 BER A 101 -2.361 6.066 1.663 1.00 0.00 C HETATM 656 C5 BER A 101 -1.819 5.992 -0.659 1.00 0.00 C HETATM 657 C6 BER A 101 1.623 5.449 2.637 1.00 0.00 C HETATM 658 C7 BER A 101 -0.756 5.418 3.319 1.00 0.00 C HETATM 659 C8 BER A 101 2.210 5.384 0.310 1.00 0.00 C HETATM 660 C9 BER A 101 -3.669 6.341 1.277 1.00 0.00 C HETATM 661 C10 BER A 101 -1.960 6.299 2.975 1.00 0.00 C HETATM 662 C11 BER A 101 -3.081 6.281 -0.965 1.00 0.00 C HETATM 663 C12 BER A 101 2.586 5.304 1.645 1.00 0.00 C HETATM 664 C13 BER A 101 3.135 5.135 -0.698 1.00 0.00 C HETATM 665 C14 BER A 101 -3.992 6.457 -0.010 1.00 0.00 C HETATM 666 O1 BER A 101 -3.629 6.467 -2.194 1.00 0.00 O HETATM 667 C15 BER A 101 3.908 5.019 1.977 1.00 0.00 C HETATM 668 C16 BER A 101 4.454 4.843 -0.373 1.00 0.00 C HETATM 669 O2 BER A 101 -5.203 6.758 -0.550 1.00 0.00 O HETATM 670 C17 BER A 101 -5.044 6.517 -1.956 1.00 0.00 C HETATM 671 C18 BER A 101 4.837 4.819 0.963 1.00 0.00 C HETATM 672 O3 BER A 101 4.275 4.877 3.280 1.00 0.00 O HETATM 673 O4 BER A 101 6.137 4.679 1.338 1.00 0.00 O HETATM 674 C19 BER A 101 4.182 6.136 3.950 1.00 0.00 C HETATM 675 C20 BER A 101 6.919 4.271 0.214 1.00 0.00 C HETATM 0 H203 BER A 101 6.546 3.318 -0.162 1.00 0.00 H new HETATM 0 H202 BER A 101 6.848 5.024 -0.571 1.00 0.00 H new HETATM 0 H201 BER A 101 7.960 4.159 0.516 1.00 0.00 H new HETATM 0 H193 BER A 101 4.843 6.855 3.466 1.00 0.00 H new HETATM 0 H192 BER A 101 3.155 6.498 3.903 1.00 0.00 H new HETATM 0 H191 BER A 101 4.477 6.016 4.992 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.510 7.309 -2.542 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.522 5.582 -2.247 1.00 0.00 H new HETATM 0 H161 BER A 101 5.181 4.635 -1.158 1.00 0.00 H new HETATM 0 H131 BER A 101 2.825 5.169 -1.743 1.00 0.00 H new HETATM 0 H102 BER A 101 -1.701 7.350 3.103 1.00 0.00 H new HETATM 0 H101 BER A 101 -2.783 6.088 3.658 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.440 6.463 2.038 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.045 4.367 3.344 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.371 5.666 4.308 1.00 0.00 H new HETATM 0 H61 BER A 101 1.911 5.408 3.687 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.095 5.830 -1.457 1.00 0.00 H new HETATM 0 H31 BER A 101 0.571 5.645 -1.058 1.00 0.00 H new