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 180:sc= 0 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.28! (180deg=-7.69!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 2.516 -5.936 -9.990 1.00 0.00 O ATOM 2 C5' DG A 1 2.715 -4.581 -9.586 1.00 0.00 C ATOM 3 C4' DG A 1 1.624 -3.664 -10.138 1.00 0.00 C ATOM 4 O4' DG A 1 0.370 -4.030 -9.522 1.00 0.00 O ATOM 5 C3' DG A 1 1.862 -2.186 -9.885 1.00 0.00 C ATOM 6 O3' DG A 1 1.495 -1.439 -11.048 1.00 0.00 O ATOM 7 C2' DG A 1 0.927 -1.849 -8.734 1.00 0.00 C ATOM 8 C1' DG A 1 -0.201 -2.869 -8.898 1.00 0.00 C ATOM 9 N9 DG A 1 -0.818 -3.291 -7.626 1.00 0.00 N ATOM 10 C8 DG A 1 -2.138 -3.290 -7.272 1.00 0.00 C ATOM 11 N7 DG A 1 -2.387 -3.696 -6.065 1.00 0.00 N ATOM 12 C5 DG A 1 -1.122 -3.998 -5.562 1.00 0.00 C ATOM 13 C6 DG A 1 -0.745 -4.491 -4.283 1.00 0.00 C ATOM 14 O6 DG A 1 -1.466 -4.756 -3.323 1.00 0.00 O ATOM 15 N1 DG A 1 0.631 -4.660 -4.188 1.00 0.00 N ATOM 16 C2 DG A 1 1.533 -4.391 -5.195 1.00 0.00 C ATOM 17 N2 DG A 1 2.815 -4.622 -4.914 1.00 0.00 N ATOM 18 N3 DG A 1 1.183 -3.926 -6.400 1.00 0.00 N ATOM 19 C4 DG A 1 -0.155 -3.754 -6.513 1.00 0.00 C ATOM 0 H5' DG A 1 3.690 -4.237 -9.932 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.724 -4.523 -8.498 1.00 0.00 H new ATOM 0 H4' DG A 1 1.621 -3.800 -11.219 1.00 0.00 H new ATOM 0 H3' DG A 1 2.903 -1.954 -9.659 1.00 0.00 H new ATOM 0 H2' DG A 1 1.423 -1.948 -7.769 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.558 -0.825 -8.800 1.00 0.00 H new ATOM 0 HO5' DG A 1 3.231 -6.496 -9.622 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.989 -2.399 -9.486 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.918 -2.974 -7.949 1.00 0.00 H new ATOM 0 H1 DG A 1 1.002 -5.010 -3.305 1.00 0.00 H new ATOM 0 H21 DG A 1 3.532 -4.443 -5.617 1.00 0.00 H new ATOM 0 H22 DG A 1 3.080 -4.978 -3.995 1.00 0.00 H new ATOM 32 P DG A 2 1.819 0.136 -11.130 1.00 0.00 P ATOM 33 OP1 DG A 2 1.756 0.551 -12.549 1.00 0.00 O ATOM 34 OP2 DG A 2 3.042 0.395 -10.339 1.00 0.00 O ATOM 35 O5' DG A 2 0.566 0.793 -10.355 1.00 0.00 O ATOM 36 C5' DG A 2 -0.758 0.662 -10.880 1.00 0.00 C ATOM 37 C4' DG A 2 -1.821 0.932 -9.814 1.00 0.00 C ATOM 38 O4' DG A 2 -1.663 0.054 -8.728 1.00 0.00 O ATOM 39 C3' DG A 2 -1.761 2.330 -9.215 1.00 0.00 C ATOM 40 O3' DG A 2 -2.554 3.227 -9.996 1.00 0.00 O ATOM 41 C2' DG A 2 -2.372 2.159 -7.838 1.00 0.00 C ATOM 42 C1' DG A 2 -2.291 0.656 -7.585 1.00 0.00 C ATOM 43 N9 DG A 2 -1.489 0.305 -6.397 1.00 0.00 N ATOM 44 C8 DG A 2 -0.131 0.248 -6.260 1.00 0.00 C ATOM 45 N7 DG A 2 0.293 -0.063 -5.071 1.00 0.00 N ATOM 46 C5 DG A 2 -0.886 -0.232 -4.346 1.00 0.00 C ATOM 47 C6 DG A 2 -1.075 -0.580 -2.979 1.00 0.00 C ATOM 48 O6 DG A 2 -0.220 -0.802 -2.124 1.00 0.00 O ATOM 49 N1 DG A 2 -2.424 -0.645 -2.652 1.00 0.00 N ATOM 50 C2 DG A 2 -3.464 -0.408 -3.527 1.00 0.00 C ATOM 51 N2 DG A 2 -4.695 -0.524 -3.028 1.00 0.00 N ATOM 52 N3 DG A 2 -3.290 -0.080 -4.811 1.00 0.00 N ATOM 53 C4 DG A 2 -1.983 -0.011 -5.151 1.00 0.00 C ATOM 0 H5' DG A 2 -0.892 -0.343 -11.281 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.890 1.357 -11.710 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.767 0.801 -10.338 1.00 0.00 H new ATOM 0 H3' DG A 2 -0.751 2.739 -9.183 1.00 0.00 H new ATOM 0 H2' DG A 2 -1.821 2.721 -7.084 1.00 0.00 H new ATOM 0 H2'' DG A 2 -3.402 2.514 -7.811 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.306 0.297 -7.414 1.00 0.00 H new ATOM 0 H8 DG A 2 0.542 0.447 -7.081 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.664 -0.887 -1.691 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.505 -0.361 -3.626 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.827 -0.776 -2.048 1.00 0.00 H new ATOM 65 P DG A 3 -2.485 4.810 -9.717 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.984 5.514 -10.918 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.142 5.125 -9.180 1.00 0.00 O ATOM 68 O5' DG A 3 -3.562 5.001 -8.537 1.00 0.00 O ATOM 69 C5' DG A 3 -4.934 4.660 -8.750 1.00 0.00 C ATOM 70 C4' DG A 3 -5.788 4.963 -7.522 1.00 0.00 C ATOM 71 O4' DG A 3 -5.322 4.166 -6.407 1.00 0.00 O ATOM 72 C3' DG A 3 -5.752 6.427 -7.094 1.00 0.00 C ATOM 73 O3' DG A 3 -7.057 6.847 -6.682 1.00 0.00 O ATOM 74 C2' DG A 3 -4.812 6.433 -5.895 1.00 0.00 C ATOM 75 C1' DG A 3 -5.024 5.039 -5.314 1.00 0.00 C ATOM 76 N9 DG A 3 -3.848 4.487 -4.613 1.00 0.00 N ATOM 77 C8 DG A 3 -2.555 4.393 -5.042 1.00 0.00 C ATOM 78 N7 DG A 3 -1.728 3.864 -4.191 1.00 0.00 N ATOM 79 C5 DG A 3 -2.538 3.577 -3.095 1.00 0.00 C ATOM 80 C6 DG A 3 -2.202 2.987 -1.847 1.00 0.00 C ATOM 81 O6 DG A 3 -1.103 2.595 -1.460 1.00 0.00 O ATOM 82 N1 DG A 3 -3.314 2.875 -1.021 1.00 0.00 N ATOM 83 C2 DG A 3 -4.590 3.280 -1.353 1.00 0.00 C ATOM 84 N2 DG A 3 -5.530 3.086 -0.427 1.00 0.00 N ATOM 85 N3 DG A 3 -4.909 3.837 -2.525 1.00 0.00 N ATOM 86 C4 DG A 3 -3.838 3.955 -3.345 1.00 0.00 C ATOM 0 H5' DG A 3 -5.012 3.601 -8.995 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.318 5.214 -9.606 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.814 4.724 -7.801 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.431 7.094 -7.894 1.00 0.00 H new ATOM 0 H2' DG A 3 -3.776 6.598 -6.191 1.00 0.00 H new ATOM 0 H2'' DG A 3 -5.068 7.215 -5.181 1.00 0.00 H new ATOM 0 H1' DG A 3 -5.824 5.116 -4.577 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.242 4.734 -6.018 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.176 2.462 -0.099 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.494 3.364 -0.612 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.285 2.659 0.467 1.00 0.00 H new ATOM 98 P DG A 4 -7.983 7.717 -7.670 1.00 0.00 P ATOM 99 OP1 DG A 4 -7.123 8.710 -8.355 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.172 8.170 -6.912 1.00 0.00 O ATOM 101 O5' DG A 4 -8.462 6.629 -8.755 1.00 0.00 O ATOM 102 C5' DG A 4 -9.700 6.797 -9.451 1.00 0.00 C ATOM 103 C4' DG A 4 -9.820 5.829 -10.625 1.00 0.00 C ATOM 104 O4' DG A 4 -8.842 6.170 -11.625 1.00 0.00 O ATOM 105 C3' DG A 4 -9.592 4.373 -10.243 1.00 0.00 C ATOM 106 O3' DG A 4 -10.416 3.515 -11.039 1.00 0.00 O ATOM 107 C2' DG A 4 -8.128 4.165 -10.606 1.00 0.00 C ATOM 108 C1' DG A 4 -8.002 5.032 -11.856 1.00 0.00 C ATOM 109 N9 DG A 4 -6.644 5.534 -12.135 1.00 0.00 N ATOM 110 C8 DG A 4 -6.008 6.627 -11.621 1.00 0.00 C ATOM 111 N7 DG A 4 -4.801 6.820 -12.061 1.00 0.00 N ATOM 112 C5 DG A 4 -4.613 5.763 -12.950 1.00 0.00 C ATOM 113 C6 DG A 4 -3.484 5.435 -13.747 1.00 0.00 C ATOM 114 O6 DG A 4 -2.409 6.027 -13.825 1.00 0.00 O ATOM 115 N1 DG A 4 -3.708 4.292 -14.501 1.00 0.00 N ATOM 116 C2 DG A 4 -4.873 3.551 -14.491 1.00 0.00 C ATOM 117 N2 DG A 4 -4.903 2.481 -15.285 1.00 0.00 N ATOM 118 N3 DG A 4 -5.937 3.857 -13.742 1.00 0.00 N ATOM 119 C4 DG A 4 -5.738 4.970 -13.000 1.00 0.00 C ATOM 0 H5' DG A 4 -9.778 7.822 -9.814 1.00 0.00 H new ATOM 0 H5'' DG A 4 -10.530 6.639 -8.762 1.00 0.00 H new ATOM 0 H4' DG A 4 -10.842 5.925 -10.991 1.00 0.00 H new ATOM 0 H3' DG A 4 -9.827 4.154 -9.202 1.00 0.00 H new ATOM 0 H2' DG A 4 -7.457 4.491 -9.811 1.00 0.00 H new ATOM 0 H2'' DG A 4 -7.899 3.118 -10.807 1.00 0.00 H new ATOM 0 H1' DG A 4 -8.276 4.418 -12.714 1.00 0.00 H new ATOM 0 H8 DG A 4 -6.474 7.283 -10.901 1.00 0.00 H new ATOM 0 H1 DG A 4 -2.954 3.975 -15.110 1.00 0.00 H new ATOM 0 H21 DG A 4 -5.737 1.895 -15.320 1.00 0.00 H new ATOM 0 H22 DG A 4 -4.092 2.248 -15.858 1.00 0.00 H new ATOM 131 P DC A 5 -11.017 2.154 -10.420 1.00 0.00 P ATOM 132 OP1 DC A 5 -12.023 1.620 -11.366 1.00 0.00 O ATOM 133 OP2 DC A 5 -11.393 2.414 -9.013 1.00 0.00 O ATOM 134 O5' DC A 5 -9.743 1.167 -10.428 1.00 0.00 O ATOM 135 C5' DC A 5 -9.099 0.827 -11.659 1.00 0.00 C ATOM 136 C4' DC A 5 -7.933 -0.141 -11.443 1.00 0.00 C ATOM 137 O4' DC A 5 -7.035 0.401 -10.437 1.00 0.00 O ATOM 138 C3' DC A 5 -8.357 -1.528 -10.956 1.00 0.00 C ATOM 139 O3' DC A 5 -7.552 -2.529 -11.595 1.00 0.00 O ATOM 140 C2' DC A 5 -8.038 -1.496 -9.471 1.00 0.00 C ATOM 141 C1' DC A 5 -6.790 -0.630 -9.475 1.00 0.00 C ATOM 142 N1 DC A 5 -6.463 0.010 -8.185 1.00 0.00 N ATOM 143 C2 DC A 5 -5.671 -0.710 -7.304 1.00 0.00 C ATOM 144 O2 DC A 5 -5.281 -1.835 -7.609 1.00 0.00 O ATOM 145 N3 DC A 5 -5.331 -0.133 -6.119 1.00 0.00 N ATOM 146 C4 DC A 5 -5.750 1.103 -5.810 1.00 0.00 C ATOM 147 N4 DC A 5 -5.395 1.641 -4.640 1.00 0.00 N ATOM 148 C5 DC A 5 -6.569 1.850 -6.716 1.00 0.00 C ATOM 149 C6 DC A 5 -6.901 1.267 -7.887 1.00 0.00 C ATOM 0 H5' DC A 5 -8.734 1.734 -12.141 1.00 0.00 H new ATOM 0 H5'' DC A 5 -9.825 0.377 -12.336 1.00 0.00 H new ATOM 0 H4' DC A 5 -7.460 -0.252 -12.419 1.00 0.00 H new ATOM 0 H3' DC A 5 -9.401 -1.757 -11.169 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.845 -1.058 -8.883 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.851 -2.490 -9.065 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.940 -1.274 -9.700 1.00 0.00 H new ATOM 0 H41 DC A 5 -5.708 2.580 -4.395 1.00 0.00 H new ATOM 0 H42 DC A 5 -4.811 1.112 -3.992 1.00 0.00 H new ATOM 0 H5 DC A 5 -6.909 2.845 -6.471 1.00 0.00 H new ATOM 0 H6 DC A 5 -7.519 1.800 -8.594 1.00 0.00 H new ATOM 161 P DG A 6 -8.166 -3.976 -11.957 1.00 0.00 P ATOM 162 OP1 DG A 6 -7.165 -4.714 -12.759 1.00 0.00 O ATOM 163 OP2 DG A 6 -9.533 -3.776 -12.490 1.00 0.00 O ATOM 164 O5' DG A 6 -8.282 -4.691 -10.514 1.00 0.00 O ATOM 165 C5' DG A 6 -9.283 -5.688 -10.280 1.00 0.00 C ATOM 166 C4' DG A 6 -9.233 -6.240 -8.853 1.00 0.00 C ATOM 167 O4' DG A 6 -8.020 -6.938 -8.618 1.00 0.00 O ATOM 168 C3' DG A 6 -9.312 -5.189 -7.762 1.00 0.00 C ATOM 169 O3' DG A 6 -10.679 -4.877 -7.484 1.00 0.00 O ATOM 170 C2' DG A 6 -8.691 -5.897 -6.565 1.00 0.00 C ATOM 171 C1' DG A 6 -7.796 -6.964 -7.200 1.00 0.00 C ATOM 172 N9 DG A 6 -6.364 -6.738 -6.959 1.00 0.00 N ATOM 173 C8 DG A 6 -5.468 -6.026 -7.701 1.00 0.00 C ATOM 174 N7 DG A 6 -4.263 -5.985 -7.218 1.00 0.00 N ATOM 175 C5 DG A 6 -4.364 -6.736 -6.047 1.00 0.00 C ATOM 176 C6 DG A 6 -3.374 -7.052 -5.080 1.00 0.00 C ATOM 177 O6 DG A 6 -2.191 -6.722 -5.066 1.00 0.00 O ATOM 178 N1 DG A 6 -3.893 -7.830 -4.054 1.00 0.00 N ATOM 179 C2 DG A 6 -5.202 -8.255 -3.965 1.00 0.00 C ATOM 180 N2 DG A 6 -5.511 -8.995 -2.900 1.00 0.00 N ATOM 181 N3 DG A 6 -6.137 -7.960 -4.873 1.00 0.00 N ATOM 182 C4 DG A 6 -5.648 -7.201 -5.882 1.00 0.00 C ATOM 0 H5' DG A 6 -9.150 -6.506 -10.988 1.00 0.00 H new ATOM 0 H5'' DG A 6 -10.268 -5.261 -10.467 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.113 -6.881 -8.799 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.817 -4.253 -8.022 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.116 -5.208 -5.946 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.452 -6.342 -5.924 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.054 -7.922 -6.749 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.740 -5.533 -8.622 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.256 -8.109 -3.308 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.463 -9.340 -2.777 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.795 -9.217 -2.208 1.00 0.00 H new ATOM 194 P DG A 7 -11.103 -3.398 -7.006 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.577 -3.293 -7.096 1.00 0.00 O ATOM 196 OP2 DG A 7 -10.249 -2.417 -7.710 1.00 0.00 O ATOM 197 O5' DG A 7 -10.690 -3.399 -5.447 1.00 0.00 O ATOM 198 C5' DG A 7 -11.396 -4.232 -4.527 1.00 0.00 C ATOM 199 C4' DG A 7 -10.956 -4.017 -3.077 1.00 0.00 C ATOM 200 O4' DG A 7 -9.672 -4.587 -2.791 1.00 0.00 O ATOM 201 C3' DG A 7 -10.864 -2.552 -2.632 1.00 0.00 C ATOM 202 O3' DG A 7 -12.043 -2.209 -1.893 1.00 0.00 O ATOM 203 C2' DG A 7 -9.643 -2.526 -1.701 1.00 0.00 C ATOM 204 C1' DG A 7 -9.361 -4.012 -1.531 1.00 0.00 C ATOM 205 N9 DG A 7 -7.978 -4.371 -1.131 1.00 0.00 N ATOM 206 C8 DG A 7 -7.566 -4.846 0.079 1.00 0.00 C ATOM 207 N7 DG A 7 -6.294 -5.055 0.194 1.00 0.00 N ATOM 208 C5 DG A 7 -5.793 -4.694 -1.050 1.00 0.00 C ATOM 209 C6 DG A 7 -4.451 -4.714 -1.518 1.00 0.00 C ATOM 210 O6 DG A 7 -3.438 -5.049 -0.907 1.00 0.00 O ATOM 211 N1 DG A 7 -4.360 -4.277 -2.827 1.00 0.00 N ATOM 212 C2 DG A 7 -5.429 -3.870 -3.603 1.00 0.00 C ATOM 213 N2 DG A 7 -5.136 -3.488 -4.844 1.00 0.00 N ATOM 214 N3 DG A 7 -6.702 -3.847 -3.167 1.00 0.00 N ATOM 215 C4 DG A 7 -6.810 -4.271 -1.882 1.00 0.00 C ATOM 0 H5' DG A 7 -11.243 -5.277 -4.798 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.465 -4.035 -4.611 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.755 -4.516 -2.529 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.776 -1.853 -3.464 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.800 -1.996 -2.145 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.862 -2.038 -0.751 1.00 0.00 H new ATOM 0 H1' DG A 7 -9.961 -4.386 -0.701 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.256 -5.035 0.888 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.433 -4.253 -3.252 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.878 -3.176 -5.470 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.169 -3.508 -5.169 1.00 0.00 H new ATOM 227 P DG A 8 -12.312 -0.696 -1.417 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.738 -0.584 -1.035 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.748 0.215 -2.436 1.00 0.00 O ATOM 230 O5' DG A 8 -11.420 -0.580 -0.080 1.00 0.00 O ATOM 231 C5' DG A 8 -11.689 -1.426 1.040 1.00 0.00 C ATOM 232 C4' DG A 8 -10.530 -1.448 2.030 1.00 0.00 C ATOM 233 O4' DG A 8 -9.343 -1.930 1.417 1.00 0.00 O ATOM 234 C3' DG A 8 -10.177 -0.087 2.611 1.00 0.00 C ATOM 235 O3' DG A 8 -10.859 0.100 3.854 1.00 0.00 O ATOM 236 C2' DG A 8 -8.672 -0.168 2.863 1.00 0.00 C ATOM 237 C1' DG A 8 -8.268 -1.516 2.258 1.00 0.00 C ATOM 238 N9 DG A 8 -7.038 -1.475 1.447 1.00 0.00 N ATOM 239 C8 DG A 8 -6.881 -1.173 0.124 1.00 0.00 C ATOM 240 N7 DG A 8 -5.656 -1.210 -0.309 1.00 0.00 N ATOM 241 C5 DG A 8 -4.928 -1.571 0.824 1.00 0.00 C ATOM 242 C6 DG A 8 -3.529 -1.775 0.986 1.00 0.00 C ATOM 243 O6 DG A 8 -2.640 -1.668 0.142 1.00 0.00 O ATOM 244 N1 DG A 8 -3.214 -2.131 2.291 1.00 0.00 N ATOM 245 C2 DG A 8 -4.126 -2.277 3.316 1.00 0.00 C ATOM 246 N2 DG A 8 -3.634 -2.631 4.502 1.00 0.00 N ATOM 247 N3 DG A 8 -5.440 -2.084 3.168 1.00 0.00 N ATOM 248 C4 DG A 8 -5.768 -1.736 1.902 1.00 0.00 C ATOM 0 H5' DG A 8 -11.886 -2.439 0.690 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.591 -1.082 1.546 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.882 -2.100 2.830 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.455 0.737 1.953 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.143 0.658 2.388 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.442 -0.123 3.928 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.066 -2.200 3.083 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.714 -0.922 -0.516 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.232 -2.298 2.509 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.260 -2.754 5.298 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.631 -2.779 4.614 1.00 0.00 H new ATOM 260 P DG A 9 -10.753 1.506 4.631 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.817 1.549 5.659 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.663 2.582 3.620 1.00 0.00 O ATOM 263 O5' DG A 9 -9.331 1.393 5.379 1.00 0.00 O ATOM 264 C5' DG A 9 -9.062 0.311 6.278 1.00 0.00 C ATOM 265 C4' DG A 9 -7.576 0.222 6.633 1.00 0.00 C ATOM 266 O4' DG A 9 -6.772 0.252 5.428 1.00 0.00 O ATOM 267 C3' DG A 9 -7.065 1.385 7.502 1.00 0.00 C ATOM 268 O3' DG A 9 -6.144 0.889 8.484 1.00 0.00 O ATOM 269 C2' DG A 9 -6.292 2.231 6.511 1.00 0.00 C ATOM 270 C1' DG A 9 -5.675 1.114 5.710 1.00 0.00 C ATOM 271 N9 DG A 9 -5.010 1.499 4.457 1.00 0.00 N ATOM 272 C8 DG A 9 -5.535 1.945 3.278 1.00 0.00 C ATOM 273 N7 DG A 9 -4.657 2.214 2.354 1.00 0.00 N ATOM 274 C5 DG A 9 -3.441 1.919 2.976 1.00 0.00 C ATOM 275 C6 DG A 9 -2.111 2.009 2.482 1.00 0.00 C ATOM 276 O6 DG A 9 -1.732 2.381 1.373 1.00 0.00 O ATOM 277 N1 DG A 9 -1.183 1.612 3.441 1.00 0.00 N ATOM 278 C2 DG A 9 -1.496 1.182 4.713 1.00 0.00 C ATOM 279 N2 DG A 9 -0.473 0.837 5.495 1.00 0.00 N ATOM 280 N3 DG A 9 -2.740 1.099 5.177 1.00 0.00 N ATOM 281 C4 DG A 9 -3.657 1.482 4.260 1.00 0.00 C ATOM 0 H5' DG A 9 -9.384 -0.627 5.825 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.646 0.442 7.189 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.482 -0.710 7.190 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.864 1.914 8.022 1.00 0.00 H new ATOM 0 H2' DG A 9 -6.934 2.878 5.913 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.550 2.872 6.988 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.864 0.671 6.288 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.597 2.066 3.123 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.197 1.642 3.183 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.645 0.511 6.446 1.00 0.00 H new ATOM 0 H22 DG A 9 0.482 0.899 5.142 1.00 0.00 H new ATOM 293 P DC A 10 -6.649 0.275 9.882 1.00 0.00 P ATOM 294 OP1 DC A 10 -7.886 0.981 10.279 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.495 0.228 10.808 1.00 0.00 O ATOM 296 O5' DC A 10 -7.030 -1.235 9.479 1.00 0.00 O ATOM 297 C5' DC A 10 -6.001 -2.197 9.227 1.00 0.00 C ATOM 298 C4' DC A 10 -6.577 -3.601 9.084 1.00 0.00 C ATOM 299 O4' DC A 10 -7.165 -3.999 10.324 1.00 0.00 O ATOM 300 C3' DC A 10 -7.654 -3.708 8.017 1.00 0.00 C ATOM 301 O3' DC A 10 -7.626 -5.013 7.436 1.00 0.00 O ATOM 302 C2' DC A 10 -8.947 -3.515 8.794 1.00 0.00 C ATOM 303 C1' DC A 10 -8.594 -3.998 10.200 1.00 0.00 C ATOM 304 N1 DC A 10 -9.131 -3.150 11.283 1.00 0.00 N ATOM 305 C2 DC A 10 -10.405 -3.438 11.748 1.00 0.00 C ATOM 306 O2 DC A 10 -11.047 -4.359 11.251 1.00 0.00 O ATOM 307 N3 DC A 10 -10.909 -2.678 12.758 1.00 0.00 N ATOM 308 C4 DC A 10 -10.195 -1.678 13.291 1.00 0.00 C ATOM 309 N4 DC A 10 -10.721 -0.955 14.282 1.00 0.00 N ATOM 310 C5 DC A 10 -8.880 -1.376 12.814 1.00 0.00 C ATOM 311 C6 DC A 10 -8.389 -2.134 11.813 1.00 0.00 C ATOM 0 H5' DC A 10 -5.277 -2.180 10.042 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.464 -1.928 8.318 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.745 -4.242 8.793 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.531 -2.989 7.207 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.262 -2.472 8.795 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.764 -4.094 8.364 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.040 -4.986 10.311 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.186 -0.191 14.695 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.658 -1.166 14.626 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.302 -0.570 13.241 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.400 -1.936 11.427 1.00 0.00 H new ATOM 323 P DG A 11 -6.802 -5.281 6.081 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.635 -3.991 5.375 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.419 -6.431 5.382 1.00 0.00 O ATOM 326 O5' DG A 11 -5.360 -5.740 6.631 1.00 0.00 O ATOM 327 C5' DG A 11 -5.241 -6.912 7.437 1.00 0.00 C ATOM 328 C4' DG A 11 -3.787 -7.319 7.651 1.00 0.00 C ATOM 329 O4' DG A 11 -3.195 -7.790 6.432 1.00 0.00 O ATOM 330 C3' DG A 11 -2.884 -6.201 8.149 1.00 0.00 C ATOM 331 O3' DG A 11 -2.897 -6.173 9.581 1.00 0.00 O ATOM 332 C2' DG A 11 -1.497 -6.606 7.653 1.00 0.00 C ATOM 333 C1' DG A 11 -1.778 -7.663 6.579 1.00 0.00 C ATOM 334 N9 DG A 11 -1.201 -7.333 5.263 1.00 0.00 N ATOM 335 C8 DG A 11 0.095 -7.450 4.852 1.00 0.00 C ATOM 336 N7 DG A 11 0.327 -7.070 3.633 1.00 0.00 N ATOM 337 C5 DG A 11 -0.926 -6.661 3.183 1.00 0.00 C ATOM 338 C6 DG A 11 -1.312 -6.141 1.920 1.00 0.00 C ATOM 339 O6 DG A 11 -0.608 -5.937 0.933 1.00 0.00 O ATOM 340 N1 DG A 11 -2.669 -5.852 1.879 1.00 0.00 N ATOM 341 C2 DG A 11 -3.550 -6.040 2.924 1.00 0.00 C ATOM 342 N2 DG A 11 -4.817 -5.698 2.691 1.00 0.00 N ATOM 343 N3 DG A 11 -3.193 -6.531 4.116 1.00 0.00 N ATOM 344 C4 DG A 11 -1.871 -6.819 4.176 1.00 0.00 C ATOM 0 H5' DG A 11 -5.780 -7.733 6.964 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.713 -6.736 8.403 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.848 -8.095 8.414 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.191 -5.215 7.799 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.956 -5.754 7.242 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.887 -7.011 8.461 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.310 -8.590 6.910 1.00 0.00 H new ATOM 0 H8 DG A 11 0.873 -7.832 5.496 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.043 -5.472 1.010 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.519 -5.812 3.422 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.085 -5.322 1.781 1.00 0.00 H new ATOM 356 P DG A 12 -2.748 -4.777 10.369 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.825 -5.053 11.822 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.674 -3.804 9.750 1.00 0.00 O ATOM 359 O5' DG A 12 -1.240 -4.337 10.020 1.00 0.00 O ATOM 360 C5' DG A 12 -0.135 -5.119 10.482 1.00 0.00 C ATOM 361 C4' DG A 12 1.141 -4.811 9.700 1.00 0.00 C ATOM 362 O4' DG A 12 0.947 -5.044 8.313 1.00 0.00 O ATOM 363 C3' DG A 12 1.608 -3.367 9.815 1.00 0.00 C ATOM 364 O3' DG A 12 2.523 -3.250 10.908 1.00 0.00 O ATOM 365 C2' DG A 12 2.335 -3.097 8.502 1.00 0.00 C ATOM 366 C1' DG A 12 1.797 -4.175 7.556 1.00 0.00 C ATOM 367 N9 DG A 12 1.006 -3.645 6.429 1.00 0.00 N ATOM 368 C8 DG A 12 -0.335 -3.392 6.362 1.00 0.00 C ATOM 369 N7 DG A 12 -0.749 -2.918 5.225 1.00 0.00 N ATOM 370 C5 DG A 12 0.416 -2.848 4.465 1.00 0.00 C ATOM 371 C6 DG A 12 0.606 -2.406 3.128 1.00 0.00 C ATOM 372 O6 DG A 12 -0.234 -1.975 2.341 1.00 0.00 O ATOM 373 N1 DG A 12 1.937 -2.500 2.744 1.00 0.00 N ATOM 374 C2 DG A 12 2.961 -2.962 3.544 1.00 0.00 C ATOM 375 N2 DG A 12 4.177 -2.983 2.996 1.00 0.00 N ATOM 376 N3 DG A 12 2.787 -3.377 4.803 1.00 0.00 N ATOM 377 C4 DG A 12 1.495 -3.293 5.196 1.00 0.00 C ATOM 0 H5' DG A 12 -0.374 -6.178 10.387 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.031 -4.924 11.541 1.00 0.00 H new ATOM 0 H4' DG A 12 1.891 -5.469 10.139 1.00 0.00 H new ATOM 0 H3' DG A 12 0.789 -2.669 9.989 1.00 0.00 H new ATOM 0 H2' DG A 12 2.125 -2.095 8.127 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.416 -3.173 8.621 1.00 0.00 H new ATOM 0 H1' DG A 12 2.663 -4.682 7.131 1.00 0.00 H new ATOM 0 H8 DG A 12 -1.002 -3.573 7.192 1.00 0.00 H new ATOM 0 H1 DG A 12 2.176 -2.205 1.797 1.00 0.00 H new ATOM 0 H21 DG A 12 4.975 -3.314 3.538 1.00 0.00 H new ATOM 0 H22 DG A 12 4.309 -2.668 2.035 1.00 0.00 H new ATOM 389 P DG A 13 2.917 -1.800 11.486 1.00 0.00 P ATOM 390 OP1 DG A 13 3.585 -1.989 12.793 1.00 0.00 O ATOM 391 OP2 DG A 13 1.731 -0.921 11.383 1.00 0.00 O ATOM 392 O5' DG A 13 4.018 -1.291 10.425 1.00 0.00 O ATOM 393 C5' DG A 13 5.227 -2.032 10.232 1.00 0.00 C ATOM 394 C4' DG A 13 6.009 -1.543 9.014 1.00 0.00 C ATOM 395 O4' DG A 13 5.209 -1.583 7.854 1.00 0.00 O ATOM 396 C3' DG A 13 6.507 -0.110 9.124 1.00 0.00 C ATOM 397 O3' DG A 13 7.832 -0.107 9.659 1.00 0.00 O ATOM 398 C2' DG A 13 6.534 0.394 7.681 1.00 0.00 C ATOM 399 C1' DG A 13 5.681 -0.618 6.912 1.00 0.00 C ATOM 400 N9 DG A 13 4.509 -0.031 6.235 1.00 0.00 N ATOM 401 C8 DG A 13 3.250 0.184 6.718 1.00 0.00 C ATOM 402 N7 DG A 13 2.423 0.731 5.877 1.00 0.00 N ATOM 403 C5 DG A 13 3.198 0.896 4.731 1.00 0.00 C ATOM 404 C6 DG A 13 2.850 1.445 3.466 1.00 0.00 C ATOM 405 O6 DG A 13 1.769 1.907 3.106 1.00 0.00 O ATOM 406 N1 DG A 13 3.926 1.423 2.588 1.00 0.00 N ATOM 407 C2 DG A 13 5.181 0.933 2.885 1.00 0.00 C ATOM 408 N2 DG A 13 6.086 0.991 1.907 1.00 0.00 N ATOM 409 N3 DG A 13 5.512 0.419 4.072 1.00 0.00 N ATOM 410 C4 DG A 13 4.477 0.431 4.943 1.00 0.00 C ATOM 0 H5' DG A 13 4.989 -3.089 10.110 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.851 -1.946 11.122 1.00 0.00 H new ATOM 0 H4' DG A 13 6.863 -2.218 8.961 1.00 0.00 H new ATOM 0 H3' DG A 13 5.884 0.506 9.772 1.00 0.00 H new ATOM 0 H2' DG A 13 6.124 1.401 7.603 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.552 0.434 7.292 1.00 0.00 H new ATOM 0 H1' DG A 13 6.311 -1.044 6.131 1.00 0.00 H new ATOM 0 H8 DG A 13 2.962 -0.081 7.725 1.00 0.00 H new ATOM 0 H1 DG A 13 3.777 1.798 1.651 1.00 0.00 H new ATOM 0 H21 DG A 13 7.032 0.644 2.066 1.00 0.00 H new ATOM 0 H22 DG A 13 5.832 1.382 1.000 1.00 0.00 H new ATOM 422 P DG A 14 8.364 1.156 10.502 1.00 0.00 P ATOM 423 OP1 DG A 14 9.627 0.770 11.170 1.00 0.00 O ATOM 424 OP2 DG A 14 7.236 1.683 11.304 1.00 0.00 O ATOM 425 O5' DG A 14 8.712 2.226 9.350 1.00 0.00 O ATOM 426 C5' DG A 14 9.645 1.902 8.312 1.00 0.00 C ATOM 427 C4' DG A 14 9.440 2.772 7.075 1.00 0.00 C ATOM 428 O4' DG A 14 8.045 2.738 6.733 1.00 0.00 O ATOM 429 C3' DG A 14 9.839 4.231 7.279 1.00 0.00 C ATOM 430 O3' DG A 14 10.666 4.639 6.186 1.00 0.00 O ATOM 431 C2' DG A 14 8.543 5.034 7.256 1.00 0.00 C ATOM 432 C1' DG A 14 7.455 4.026 6.919 1.00 0.00 C ATOM 433 N9 DG A 14 6.429 3.894 7.965 1.00 0.00 N ATOM 434 C8 DG A 14 6.581 3.621 9.293 1.00 0.00 C ATOM 435 N7 DG A 14 5.478 3.562 9.975 1.00 0.00 N ATOM 436 C5 DG A 14 4.499 3.818 9.016 1.00 0.00 C ATOM 437 C6 DG A 14 3.086 3.887 9.154 1.00 0.00 C ATOM 438 O6 DG A 14 2.411 3.738 10.169 1.00 0.00 O ATOM 439 N1 DG A 14 2.471 4.165 7.939 1.00 0.00 N ATOM 440 C2 DG A 14 3.129 4.353 6.742 1.00 0.00 C ATOM 441 N2 DG A 14 2.365 4.603 5.680 1.00 0.00 N ATOM 442 N3 DG A 14 4.457 4.292 6.611 1.00 0.00 N ATOM 443 C4 DG A 14 5.075 4.021 7.782 1.00 0.00 C ATOM 0 H5' DG A 14 9.536 0.852 8.040 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.662 2.032 8.683 1.00 0.00 H new ATOM 0 H4' DG A 14 10.080 2.369 6.290 1.00 0.00 H new ATOM 0 H3' DG A 14 10.384 4.378 8.212 1.00 0.00 H new ATOM 0 H2' DG A 14 8.356 5.508 8.220 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.586 5.830 6.513 1.00 0.00 H new ATOM 0 H1' DG A 14 6.970 4.396 6.016 1.00 0.00 H new ATOM 0 H8 DG A 14 7.550 3.465 9.745 1.00 0.00 H new ATOM 0 H1 DG A 14 1.453 4.235 7.932 1.00 0.00 H new ATOM 0 H21 DG A 14 2.794 4.751 4.767 1.00 0.00 H new ATOM 0 H22 DG A 14 1.351 4.646 5.780 1.00 0.00 H new ATOM 455 P DC A 15 12.258 4.795 6.368 1.00 0.00 P ATOM 456 OP1 DC A 15 12.521 5.357 7.710 1.00 0.00 O ATOM 457 OP2 DC A 15 12.797 5.469 5.166 1.00 0.00 O ATOM 458 O5' DC A 15 12.761 3.266 6.353 1.00 0.00 O ATOM 459 C5' DC A 15 13.269 2.688 5.149 1.00 0.00 C ATOM 460 C4' DC A 15 13.894 1.320 5.405 1.00 0.00 C ATOM 461 O4' DC A 15 14.986 1.459 6.322 1.00 0.00 O ATOM 462 C3' DC A 15 12.931 0.305 6.004 1.00 0.00 C ATOM 463 O3' DC A 15 13.280 -1.010 5.566 1.00 0.00 O ATOM 464 C2' DC A 15 13.187 0.428 7.493 1.00 0.00 C ATOM 465 C1' DC A 15 14.670 0.775 7.542 1.00 0.00 C ATOM 466 N1 DC A 15 15.054 1.654 8.663 1.00 0.00 N ATOM 467 C2 DC A 15 15.393 1.043 9.858 1.00 0.00 C ATOM 468 O2 DC A 15 15.357 -0.182 9.955 1.00 0.00 O ATOM 469 N3 DC A 15 15.760 1.831 10.906 1.00 0.00 N ATOM 470 C4 DC A 15 15.793 3.164 10.785 1.00 0.00 C ATOM 471 N4 DC A 15 16.158 3.904 11.832 1.00 0.00 N ATOM 472 C5 DC A 15 15.442 3.800 9.552 1.00 0.00 C ATOM 473 C6 DC A 15 15.081 3.011 8.521 1.00 0.00 C ATOM 0 H5' DC A 15 14.013 3.353 4.711 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.462 2.590 4.423 1.00 0.00 H new ATOM 0 H4' DC A 15 14.210 0.952 4.429 1.00 0.00 H new ATOM 0 H3' DC A 15 11.892 0.476 5.723 1.00 0.00 H new ATOM 0 H2' DC A 15 12.573 1.205 7.948 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.969 -0.501 8.021 1.00 0.00 H new ATOM 0 H1' DC A 15 15.215 -0.159 7.678 1.00 0.00 H new ATOM 0 H41 DC A 15 16.187 4.920 11.753 1.00 0.00 H new ATOM 0 H42 DC A 15 16.408 3.454 12.712 1.00 0.00 H new ATOM 0 H5 DC A 15 15.466 4.875 9.451 1.00 0.00 H new ATOM 0 H6 DC A 15 14.811 3.456 7.575 1.00 0.00 H new ATOM 485 P DG A 16 12.700 -1.594 4.184 1.00 0.00 P ATOM 486 OP1 DG A 16 13.034 -3.035 4.118 1.00 0.00 O ATOM 487 OP2 DG A 16 13.117 -0.690 3.089 1.00 0.00 O ATOM 488 O5' DG A 16 11.108 -1.453 4.381 1.00 0.00 O ATOM 489 C5' DG A 16 10.457 -2.048 5.511 1.00 0.00 C ATOM 490 C4' DG A 16 8.944 -1.866 5.452 1.00 0.00 C ATOM 491 O4' DG A 16 8.657 -0.463 5.422 1.00 0.00 O ATOM 492 C3' DG A 16 8.299 -2.507 4.230 1.00 0.00 C ATOM 493 O3' DG A 16 7.091 -3.169 4.623 1.00 0.00 O ATOM 494 C2' DG A 16 7.964 -1.348 3.295 1.00 0.00 C ATOM 495 C1' DG A 16 8.158 -0.089 4.136 1.00 0.00 C ATOM 496 N9 DG A 16 9.116 0.870 3.554 1.00 0.00 N ATOM 497 C8 DG A 16 10.356 0.637 3.032 1.00 0.00 C ATOM 498 N7 DG A 16 10.970 1.687 2.575 1.00 0.00 N ATOM 499 C5 DG A 16 10.060 2.715 2.813 1.00 0.00 C ATOM 500 C6 DG A 16 10.163 4.105 2.530 1.00 0.00 C ATOM 501 O6 DG A 16 11.094 4.708 2.000 1.00 0.00 O ATOM 502 N1 DG A 16 9.026 4.792 2.933 1.00 0.00 N ATOM 503 C2 DG A 16 7.924 4.218 3.533 1.00 0.00 C ATOM 504 N2 DG A 16 6.930 5.046 3.858 1.00 0.00 N ATOM 505 N3 DG A 16 7.822 2.912 3.798 1.00 0.00 N ATOM 506 C4 DG A 16 8.922 2.224 3.414 1.00 0.00 C ATOM 0 H5' DG A 16 10.841 -1.602 6.428 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.694 -3.111 5.549 1.00 0.00 H new ATOM 0 H4' DG A 16 8.531 -2.359 6.332 1.00 0.00 H new ATOM 0 H3' DG A 16 8.952 -3.240 3.756 1.00 0.00 H new ATOM 0 H2' DG A 16 8.618 -1.344 2.423 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.941 -1.422 2.926 1.00 0.00 H new ATOM 0 H1' DG A 16 7.184 0.399 4.187 1.00 0.00 H new ATOM 0 H8 DG A 16 10.795 -0.349 3.001 1.00 0.00 H new ATOM 0 H1 DG A 16 9.003 5.799 2.773 1.00 0.00 H new ATOM 0 H21 DG A 16 6.088 4.682 4.304 1.00 0.00 H new ATOM 0 H22 DG A 16 7.012 6.043 3.660 1.00 0.00 H new ATOM 518 P DG A 17 7.055 -4.769 4.809 1.00 0.00 P ATOM 519 OP1 DG A 17 5.745 -5.138 5.392 1.00 0.00 O ATOM 520 OP2 DG A 17 8.308 -5.190 5.478 1.00 0.00 O ATOM 521 O5' DG A 17 7.086 -5.296 3.285 1.00 0.00 O ATOM 522 C5' DG A 17 7.622 -6.582 2.975 1.00 0.00 C ATOM 523 C4' DG A 17 8.174 -6.637 1.550 1.00 0.00 C ATOM 524 O4' DG A 17 7.173 -7.155 0.650 1.00 0.00 O ATOM 525 C3' DG A 17 8.637 -5.289 1.002 1.00 0.00 C ATOM 526 O3' DG A 17 10.071 -5.250 1.013 1.00 0.00 O ATOM 527 C2' DG A 17 8.132 -5.228 -0.441 1.00 0.00 C ATOM 528 C1' DG A 17 7.301 -6.504 -0.613 1.00 0.00 C ATOM 529 N9 DG A 17 5.945 -6.253 -1.124 1.00 0.00 N ATOM 530 C8 DG A 17 5.562 -5.970 -2.399 1.00 0.00 C ATOM 531 N7 DG A 17 4.288 -5.786 -2.566 1.00 0.00 N ATOM 532 C5 DG A 17 3.770 -5.964 -1.283 1.00 0.00 C ATOM 533 C6 DG A 17 2.428 -5.889 -0.825 1.00 0.00 C ATOM 534 O6 DG A 17 1.413 -5.647 -1.474 1.00 0.00 O ATOM 535 N1 DG A 17 2.339 -6.131 0.539 1.00 0.00 N ATOM 536 C2 DG A 17 3.409 -6.410 1.364 1.00 0.00 C ATOM 537 N2 DG A 17 3.125 -6.605 2.651 1.00 0.00 N ATOM 538 N3 DG A 17 4.675 -6.485 0.936 1.00 0.00 N ATOM 539 C4 DG A 17 4.780 -6.251 -0.393 1.00 0.00 C ATOM 0 H5' DG A 17 6.846 -7.338 3.094 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.415 -6.826 3.682 1.00 0.00 H new ATOM 0 H4' DG A 17 9.047 -7.287 1.609 1.00 0.00 H new ATOM 0 H3' DG A 17 8.262 -4.453 1.593 1.00 0.00 H new ATOM 0 H2' DG A 17 7.529 -4.336 -0.613 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.959 -5.195 -1.150 1.00 0.00 H new ATOM 0 H1' DG A 17 7.828 -7.118 -1.343 1.00 0.00 H new ATOM 0 H8 DG A 17 6.268 -5.903 -3.214 1.00 0.00 H new ATOM 0 H1 DG A 17 1.412 -6.100 0.964 1.00 0.00 H new ATOM 0 H21 DG A 17 3.873 -6.815 3.312 1.00 0.00 H new ATOM 0 H22 DG A 17 2.160 -6.544 2.975 1.00 0.00 H new ATOM 551 P DG A 18 10.847 -3.958 1.578 1.00 0.00 P ATOM 552 OP1 DG A 18 12.302 -4.207 1.471 1.00 0.00 O ATOM 553 OP2 DG A 18 10.254 -3.605 2.889 1.00 0.00 O ATOM 554 O5' DG A 18 10.447 -2.821 0.505 1.00 0.00 O ATOM 555 C5' DG A 18 10.925 -2.908 -0.841 1.00 0.00 C ATOM 556 C4' DG A 18 10.028 -2.153 -1.819 1.00 0.00 C ATOM 557 O4' DG A 18 8.726 -2.708 -1.800 1.00 0.00 O ATOM 558 C3' DG A 18 9.866 -0.685 -1.500 1.00 0.00 C ATOM 559 O3' DG A 18 10.901 0.064 -2.139 1.00 0.00 O ATOM 560 C2' DG A 18 8.516 -0.345 -2.123 1.00 0.00 C ATOM 561 C1' DG A 18 7.811 -1.695 -2.249 1.00 0.00 C ATOM 562 N9 DG A 18 6.578 -1.793 -1.444 1.00 0.00 N ATOM 563 C8 DG A 18 6.428 -2.116 -0.125 1.00 0.00 C ATOM 564 N7 DG A 18 5.204 -2.086 0.315 1.00 0.00 N ATOM 565 C5 DG A 18 4.469 -1.710 -0.809 1.00 0.00 C ATOM 566 C6 DG A 18 3.069 -1.510 -0.958 1.00 0.00 C ATOM 567 O6 DG A 18 2.186 -1.622 -0.110 1.00 0.00 O ATOM 568 N1 DG A 18 2.744 -1.140 -2.258 1.00 0.00 N ATOM 569 C2 DG A 18 3.651 -0.982 -3.287 1.00 0.00 C ATOM 570 N2 DG A 18 3.151 -0.629 -4.469 1.00 0.00 N ATOM 571 N3 DG A 18 4.966 -1.169 -3.148 1.00 0.00 N ATOM 572 C4 DG A 18 5.303 -1.530 -1.889 1.00 0.00 C ATOM 0 H5' DG A 18 10.983 -3.955 -1.138 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.937 -2.505 -0.893 1.00 0.00 H new ATOM 0 H4' DG A 18 10.520 -2.248 -2.787 1.00 0.00 H new ATOM 0 H3' DG A 18 9.919 -0.461 -0.435 1.00 0.00 H new ATOM 0 H2' DG A 18 7.950 0.343 -1.495 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.635 0.134 -3.095 1.00 0.00 H new ATOM 0 H1' DG A 18 7.520 -1.819 -3.292 1.00 0.00 H new ATOM 0 H8 DG A 18 7.264 -2.377 0.506 1.00 0.00 H new ATOM 0 H1 DG A 18 1.760 -0.972 -2.468 1.00 0.00 H new ATOM 0 H21 DG A 18 3.773 -0.497 -5.267 1.00 0.00 H new ATOM 0 H22 DG A 18 2.146 -0.490 -4.577 1.00 0.00 H new ATOM 584 P DG A 19 11.174 1.588 -1.710 1.00 0.00 P ATOM 585 OP1 DG A 19 12.482 1.999 -2.266 1.00 0.00 O ATOM 586 OP2 DG A 19 10.921 1.705 -0.256 1.00 0.00 O ATOM 587 O5' DG A 19 10.013 2.385 -2.498 1.00 0.00 O ATOM 588 C5' DG A 19 10.016 2.436 -3.928 1.00 0.00 C ATOM 589 C4' DG A 19 8.718 3.012 -4.490 1.00 0.00 C ATOM 590 O4' DG A 19 7.613 2.223 -4.074 1.00 0.00 O ATOM 591 C3' DG A 19 8.418 4.427 -4.043 1.00 0.00 C ATOM 592 O3' DG A 19 9.037 5.366 -4.928 1.00 0.00 O ATOM 593 C2' DG A 19 6.903 4.509 -4.181 1.00 0.00 C ATOM 594 C1' DG A 19 6.441 3.057 -4.057 1.00 0.00 C ATOM 595 N9 DG A 19 5.695 2.781 -2.816 1.00 0.00 N ATOM 596 C8 DG A 19 6.166 2.425 -1.584 1.00 0.00 C ATOM 597 N7 DG A 19 5.258 2.279 -0.666 1.00 0.00 N ATOM 598 C5 DG A 19 4.072 2.563 -1.342 1.00 0.00 C ATOM 599 C6 DG A 19 2.732 2.570 -0.867 1.00 0.00 C ATOM 600 O6 DG A 19 2.323 2.328 0.266 1.00 0.00 O ATOM 601 N1 DG A 19 1.838 2.908 -1.876 1.00 0.00 N ATOM 602 C2 DG A 19 2.186 3.201 -3.178 1.00 0.00 C ATOM 603 N2 DG A 19 1.186 3.496 -4.006 1.00 0.00 N ATOM 604 N3 DG A 19 3.445 3.198 -3.625 1.00 0.00 N ATOM 605 C4 DG A 19 4.331 2.871 -2.658 1.00 0.00 C ATOM 0 H5' DG A 19 10.167 1.432 -4.325 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.856 3.042 -4.266 1.00 0.00 H new ATOM 0 H4' DG A 19 8.861 3.010 -5.571 1.00 0.00 H new ATOM 0 H3' DG A 19 8.781 4.651 -3.040 1.00 0.00 H new ATOM 0 H2' DG A 19 6.465 5.135 -3.404 1.00 0.00 H new ATOM 0 H2'' DG A 19 6.612 4.940 -5.139 1.00 0.00 H new ATOM 0 H1' DG A 19 5.764 2.854 -4.887 1.00 0.00 H new ATOM 0 H8 DG A 19 7.217 2.276 -1.387 1.00 0.00 H new ATOM 0 H1 DG A 19 0.847 2.942 -1.635 1.00 0.00 H new ATOM 0 H21 DG A 19 1.381 3.721 -4.981 1.00 0.00 H new ATOM 0 H22 DG A 19 0.225 3.497 -3.665 1.00 0.00 H new ATOM 617 P DT A 20 9.502 6.803 -4.372 1.00 0.00 P ATOM 618 OP1 DT A 20 10.137 7.553 -5.480 1.00 0.00 O ATOM 619 OP2 DT A 20 10.238 6.587 -3.108 1.00 0.00 O ATOM 620 O5' DT A 20 8.100 7.511 -4.022 1.00 0.00 O ATOM 621 C5' DT A 20 7.166 7.798 -5.062 1.00 0.00 C ATOM 622 C4' DT A 20 5.790 8.171 -4.508 1.00 0.00 C ATOM 623 O4' DT A 20 5.373 7.197 -3.529 1.00 0.00 O ATOM 624 C3' DT A 20 5.742 9.519 -3.802 1.00 0.00 C ATOM 625 O3' DT A 20 5.525 10.603 -4.716 1.00 0.00 O ATOM 626 C2' DT A 20 4.559 9.322 -2.868 1.00 0.00 C ATOM 627 C1' DT A 20 4.794 7.892 -2.413 1.00 0.00 C ATOM 628 N1 DT A 20 5.734 7.788 -1.289 1.00 0.00 N ATOM 629 C2 DT A 20 5.216 7.912 -0.016 1.00 0.00 C ATOM 630 O2 DT A 20 4.013 8.059 0.188 1.00 0.00 O ATOM 631 N3 DT A 20 6.131 7.859 1.016 1.00 0.00 N ATOM 632 C4 DT A 20 7.499 7.693 0.884 1.00 0.00 C ATOM 633 O4 DT A 20 8.226 7.668 1.874 1.00 0.00 O ATOM 634 C5 DT A 20 7.947 7.568 -0.487 1.00 0.00 C ATOM 635 C7 DT A 20 9.431 7.390 -0.780 1.00 0.00 C ATOM 636 C6 DT A 20 7.071 7.616 -1.509 1.00 0.00 C ATOM 0 H5' DT A 20 7.071 6.930 -5.714 1.00 0.00 H new ATOM 0 H5'' DT A 20 7.545 8.617 -5.674 1.00 0.00 H new ATOM 0 H4' DT A 20 5.141 8.209 -5.383 1.00 0.00 H new ATOM 0 H3' DT A 20 6.671 9.787 -3.299 1.00 0.00 H new ATOM 0 H2' DT A 20 4.566 10.027 -2.037 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.604 9.442 -3.379 1.00 0.00 H new ATOM 0 HO3' DT A 20 5.499 11.448 -4.221 1.00 0.00 H new ATOM 0 H1' DT A 20 3.843 7.478 -2.080 1.00 0.00 H new ATOM 0 H3 DT A 20 5.765 7.951 1.964 1.00 0.00 H new ATOM 0 H71 DT A 20 10.017 7.887 -0.006 1.00 0.00 H new ATOM 0 H72 DT A 20 9.674 6.328 -0.793 1.00 0.00 H new ATOM 0 H73 DT A 20 9.665 7.828 -1.750 1.00 0.00 H new ATOM 0 H6 DT A 20 7.433 7.517 -2.522 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.097 5.830 0.865 1.00 0.00 C HETATM 652 C2 BER A 101 -1.399 6.023 0.419 1.00 0.00 C HETATM 653 N1 BER A 101 0.129 5.641 2.172 1.00 0.00 N HETATM 654 C3 BER A 101 0.951 5.822 -0.048 1.00 0.00 C HETATM 655 C4 BER A 101 -2.447 6.076 1.326 1.00 0.00 C HETATM 656 C5 BER A 101 -1.671 6.257 -0.924 1.00 0.00 C HETATM 657 C6 BER A 101 1.433 5.419 2.637 1.00 0.00 C HETATM 658 C7 BER A 101 -1.000 5.293 3.067 1.00 0.00 C HETATM 659 C8 BER A 101 2.252 5.597 0.386 1.00 0.00 C HETATM 660 C9 BER A 101 -3.715 6.370 0.838 1.00 0.00 C HETATM 661 C10 BER A 101 -2.186 6.185 2.688 1.00 0.00 C HETATM 662 C11 BER A 101 -2.903 6.554 -1.327 1.00 0.00 C HETATM 663 C12 BER A 101 2.493 5.381 1.738 1.00 0.00 C HETATM 664 C13 BER A 101 3.276 5.461 -0.543 1.00 0.00 C HETATM 665 C14 BER A 101 -3.910 6.614 -0.457 1.00 0.00 C HETATM 666 O1 BER A 101 -3.330 6.861 -2.580 1.00 0.00 O HETATM 667 C15 BER A 101 3.774 5.052 2.168 1.00 0.00 C HETATM 668 C16 BER A 101 4.557 5.130 -0.119 1.00 0.00 C HETATM 669 O2 BER A 101 -5.068 6.953 -1.085 1.00 0.00 O HETATM 670 C17 BER A 101 -4.762 6.864 -2.485 1.00 0.00 C HETATM 671 C18 BER A 101 4.797 4.936 1.236 1.00 0.00 C HETATM 672 O3 BER A 101 4.024 4.848 3.491 1.00 0.00 O HETATM 673 O4 BER A 101 6.047 4.706 1.722 1.00 0.00 O HETATM 674 C19 BER A 101 4.388 6.085 4.111 1.00 0.00 C HETATM 675 C20 BER A 101 6.991 4.738 0.649 1.00 0.00 C HETATM 0 H203 BER A 101 6.739 3.969 -0.081 1.00 0.00 H new HETATM 0 H202 BER A 101 6.963 5.716 0.169 1.00 0.00 H new HETATM 0 H201 BER A 101 7.992 4.554 1.039 1.00 0.00 H new HETATM 0 H193 BER A 101 5.283 6.483 3.632 1.00 0.00 H new HETATM 0 H192 BER A 101 3.572 6.799 4.004 1.00 0.00 H new HETATM 0 H191 BER A 101 4.587 5.917 5.169 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.187 7.706 -3.031 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.183 5.957 -2.919 1.00 0.00 H new HETATM 0 H161 BER A 101 5.366 5.024 -0.842 1.00 0.00 H new HETATM 0 H131 BER A 101 3.075 5.614 -1.603 1.00 0.00 H new HETATM 0 H102 BER A 101 -1.968 7.222 2.943 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.067 5.895 3.260 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.561 6.401 1.524 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.263 4.241 2.959 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.723 5.447 4.110 1.00 0.00 H new HETATM 0 H61 BER A 101 1.616 5.276 3.702 1.00 0.00 H new HETATM 0 H51 BER A 101 -0.865 6.196 -1.655 1.00 0.00 H new HETATM 0 H31 BER A 101 0.752 5.992 -1.106 1.00 0.00 H new