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 46:sc= 0.908 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.6! (180deg=-7.36!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.283 -3.585 -7.394 1.00 0.00 O ATOM 2 C5' DG A 1 3.333 -3.590 -8.821 1.00 0.00 C ATOM 3 C4' DG A 1 1.971 -3.263 -9.433 1.00 0.00 C ATOM 4 O4' DG A 1 0.995 -4.208 -8.986 1.00 0.00 O ATOM 5 C3' DG A 1 1.433 -1.892 -9.067 1.00 0.00 C ATOM 6 O3' DG A 1 1.916 -0.912 -9.991 1.00 0.00 O ATOM 7 C2' DG A 1 -0.070 -2.063 -9.229 1.00 0.00 C ATOM 8 C1' DG A 1 -0.284 -3.552 -8.951 1.00 0.00 C ATOM 9 N9 DG A 1 -0.897 -3.818 -7.635 1.00 0.00 N ATOM 10 C8 DG A 1 -2.206 -3.703 -7.261 1.00 0.00 C ATOM 11 N7 DG A 1 -2.451 -3.981 -6.016 1.00 0.00 N ATOM 12 C5 DG A 1 -1.196 -4.313 -5.510 1.00 0.00 C ATOM 13 C6 DG A 1 -0.820 -4.710 -4.197 1.00 0.00 C ATOM 14 O6 DG A 1 -1.535 -4.841 -3.205 1.00 0.00 O ATOM 15 N1 DG A 1 0.544 -4.954 -4.111 1.00 0.00 N ATOM 16 C2 DG A 1 1.438 -4.835 -5.154 1.00 0.00 C ATOM 17 N2 DG A 1 2.710 -5.118 -4.873 1.00 0.00 N ATOM 18 N3 DG A 1 1.089 -4.461 -6.390 1.00 0.00 N ATOM 19 C4 DG A 1 -0.238 -4.218 -6.495 1.00 0.00 C ATOM 0 H5' DG A 1 3.664 -4.568 -9.171 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.070 -2.863 -9.162 1.00 0.00 H new ATOM 0 H4' DG A 1 2.136 -3.295 -10.510 1.00 0.00 H new ATOM 0 H3' DG A 1 1.729 -1.560 -8.072 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.624 -1.439 -8.528 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.401 -1.789 -10.231 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.489 -4.075 -7.093 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.967 -3.927 -9.713 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.981 -3.403 -7.951 1.00 0.00 H new ATOM 0 H1 DG A 1 0.914 -5.244 -3.206 1.00 0.00 H new ATOM 0 H21 DG A 1 3.421 -5.049 -5.601 1.00 0.00 H new ATOM 0 H22 DG A 1 2.973 -5.403 -3.930 1.00 0.00 H new ATOM 32 P DG A 2 2.152 0.605 -9.509 1.00 0.00 P ATOM 33 OP1 DG A 2 2.656 1.387 -10.662 1.00 0.00 O ATOM 34 OP2 DG A 2 2.922 0.571 -8.247 1.00 0.00 O ATOM 35 O5' DG A 2 0.656 1.104 -9.174 1.00 0.00 O ATOM 36 C5' DG A 2 -0.315 1.229 -10.217 1.00 0.00 C ATOM 37 C4' DG A 2 -1.734 1.357 -9.662 1.00 0.00 C ATOM 38 O4' DG A 2 -2.077 0.196 -8.912 1.00 0.00 O ATOM 39 C3' DG A 2 -1.935 2.551 -8.737 1.00 0.00 C ATOM 40 O3' DG A 2 -2.366 3.687 -9.488 1.00 0.00 O ATOM 41 C2' DG A 2 -3.044 2.087 -7.811 1.00 0.00 C ATOM 42 C1' DG A 2 -2.782 0.586 -7.723 1.00 0.00 C ATOM 43 N9 DG A 2 -1.952 0.202 -6.564 1.00 0.00 N ATOM 44 C8 DG A 2 -0.591 0.121 -6.469 1.00 0.00 C ATOM 45 N7 DG A 2 -0.138 -0.215 -5.297 1.00 0.00 N ATOM 46 C5 DG A 2 -1.298 -0.377 -4.541 1.00 0.00 C ATOM 47 C6 DG A 2 -1.453 -0.743 -3.175 1.00 0.00 C ATOM 48 O6 DG A 2 -0.578 -0.994 -2.348 1.00 0.00 O ATOM 49 N1 DG A 2 -2.792 -0.792 -2.810 1.00 0.00 N ATOM 50 C2 DG A 2 -3.854 -0.523 -3.649 1.00 0.00 C ATOM 51 N2 DG A 2 -5.072 -0.628 -3.117 1.00 0.00 N ATOM 52 N3 DG A 2 -3.712 -0.178 -4.932 1.00 0.00 N ATOM 53 C4 DG A 2 -2.414 -0.124 -5.310 1.00 0.00 C ATOM 0 H5' DG A 2 -0.258 0.360 -10.872 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.083 2.103 -10.826 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.366 1.488 -10.540 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.028 2.847 -8.211 1.00 0.00 H new ATOM 0 H2' DG A 2 -2.987 2.568 -6.835 1.00 0.00 H new ATOM 0 H2'' DG A 2 -4.032 2.305 -8.217 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.747 0.091 -7.613 1.00 0.00 H new ATOM 0 H8 DG A 2 0.061 0.321 -7.306 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.007 -1.047 -1.846 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.896 -0.441 -3.688 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.180 -0.895 -2.139 1.00 0.00 H new ATOM 65 P DG A 3 -2.263 5.158 -8.847 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.396 6.149 -9.938 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.079 5.192 -7.958 1.00 0.00 O ATOM 68 O5' DG A 3 -3.586 5.232 -7.933 1.00 0.00 O ATOM 69 C5' DG A 3 -4.880 5.079 -8.523 1.00 0.00 C ATOM 70 C4' DG A 3 -5.987 5.121 -7.475 1.00 0.00 C ATOM 71 O4' DG A 3 -5.656 4.220 -6.403 1.00 0.00 O ATOM 72 C3' DG A 3 -6.197 6.501 -6.856 1.00 0.00 C ATOM 73 O3' DG A 3 -7.597 6.735 -6.680 1.00 0.00 O ATOM 74 C2' DG A 3 -5.515 6.426 -5.497 1.00 0.00 C ATOM 75 C1' DG A 3 -5.553 4.937 -5.170 1.00 0.00 C ATOM 76 N9 DG A 3 -4.351 4.444 -4.469 1.00 0.00 N ATOM 77 C8 DG A 3 -3.068 4.340 -4.928 1.00 0.00 C ATOM 78 N7 DG A 3 -2.210 3.876 -4.070 1.00 0.00 N ATOM 79 C5 DG A 3 -2.985 3.647 -2.936 1.00 0.00 C ATOM 80 C6 DG A 3 -2.607 3.139 -1.664 1.00 0.00 C ATOM 81 O6 DG A 3 -1.492 2.786 -1.285 1.00 0.00 O ATOM 82 N1 DG A 3 -3.693 3.064 -0.803 1.00 0.00 N ATOM 83 C2 DG A 3 -4.984 3.431 -1.121 1.00 0.00 C ATOM 84 N2 DG A 3 -5.896 3.283 -0.159 1.00 0.00 N ATOM 85 N3 DG A 3 -5.344 3.911 -2.316 1.00 0.00 N ATOM 86 C4 DG A 3 -4.298 3.991 -3.171 1.00 0.00 C ATOM 0 H5' DG A 3 -4.925 4.132 -9.062 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.042 5.870 -9.255 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.904 4.841 -7.994 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.797 7.303 -7.476 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.493 6.803 -5.538 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.043 7.016 -4.748 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.402 4.781 -4.504 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.788 4.623 -5.932 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.523 2.710 0.138 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.868 3.537 -0.334 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.621 2.915 0.752 1.00 0.00 H new ATOM 98 P DG A 4 -8.430 7.569 -7.777 1.00 0.00 P ATOM 99 OP1 DG A 4 -7.635 8.758 -8.156 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.816 7.732 -7.281 1.00 0.00 O ATOM 101 O5' DG A 4 -8.463 6.561 -9.034 1.00 0.00 O ATOM 102 C5' DG A 4 -9.675 6.350 -9.760 1.00 0.00 C ATOM 103 C4' DG A 4 -9.420 5.634 -11.084 1.00 0.00 C ATOM 104 O4' DG A 4 -8.613 6.479 -11.907 1.00 0.00 O ATOM 105 C3' DG A 4 -8.695 4.306 -10.930 1.00 0.00 C ATOM 106 O3' DG A 4 -9.207 3.371 -11.887 1.00 0.00 O ATOM 107 C2' DG A 4 -7.240 4.623 -11.249 1.00 0.00 C ATOM 108 C1' DG A 4 -7.310 5.903 -12.079 1.00 0.00 C ATOM 109 N9 DG A 4 -6.321 6.924 -11.687 1.00 0.00 N ATOM 110 C8 DG A 4 -6.412 7.886 -10.723 1.00 0.00 C ATOM 111 N7 DG A 4 -5.369 8.651 -10.607 1.00 0.00 N ATOM 112 C5 DG A 4 -4.503 8.158 -11.581 1.00 0.00 C ATOM 113 C6 DG A 4 -3.197 8.589 -11.938 1.00 0.00 C ATOM 114 O6 DG A 4 -2.538 9.507 -11.454 1.00 0.00 O ATOM 115 N1 DG A 4 -2.673 7.821 -12.970 1.00 0.00 N ATOM 116 C2 DG A 4 -3.322 6.771 -13.585 1.00 0.00 C ATOM 117 N2 DG A 4 -2.657 6.154 -14.561 1.00 0.00 N ATOM 118 N3 DG A 4 -4.551 6.364 -13.252 1.00 0.00 N ATOM 119 C4 DG A 4 -5.078 7.100 -12.247 1.00 0.00 C ATOM 0 H5' DG A 4 -10.157 7.309 -9.951 1.00 0.00 H new ATOM 0 H5'' DG A 4 -10.365 5.762 -9.155 1.00 0.00 H new ATOM 0 H4' DG A 4 -10.396 5.425 -11.522 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.818 3.871 -9.938 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.656 4.769 -10.341 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.768 3.813 -11.805 1.00 0.00 H new ATOM 0 H1' DG A 4 -7.098 5.619 -13.110 1.00 0.00 H new ATOM 0 H8 DG A 4 -7.288 8.003 -10.102 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.735 8.052 -13.299 1.00 0.00 H new ATOM 0 H21 DG A 4 -3.085 5.370 -15.053 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.720 6.466 -14.816 1.00 0.00 H new ATOM 131 P DC A 5 -10.001 2.056 -11.400 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.650 1.443 -12.581 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.813 2.417 -10.217 1.00 0.00 O ATOM 134 O5' DC A 5 -8.811 1.082 -10.916 1.00 0.00 O ATOM 135 C5' DC A 5 -7.762 0.721 -11.817 1.00 0.00 C ATOM 136 C4' DC A 5 -6.851 -0.359 -11.226 1.00 0.00 C ATOM 137 O4' DC A 5 -6.225 0.122 -10.014 1.00 0.00 O ATOM 138 C3' DC A 5 -7.578 -1.657 -10.864 1.00 0.00 C ATOM 139 O3' DC A 5 -6.750 -2.781 -11.195 1.00 0.00 O ATOM 140 C2' DC A 5 -7.726 -1.564 -9.357 1.00 0.00 C ATOM 141 C1' DC A 5 -6.425 -0.866 -9.000 1.00 0.00 C ATOM 142 N1 DC A 5 -6.412 -0.190 -7.686 1.00 0.00 N ATOM 143 C2 DC A 5 -6.180 -0.977 -6.571 1.00 0.00 C ATOM 144 O2 DC A 5 -6.006 -2.188 -6.699 1.00 0.00 O ATOM 145 N3 DC A 5 -6.135 -0.374 -5.351 1.00 0.00 N ATOM 146 C4 DC A 5 -6.309 0.949 -5.230 1.00 0.00 C ATOM 147 N4 DC A 5 -6.254 1.509 -4.019 1.00 0.00 N ATOM 148 C5 DC A 5 -6.550 1.767 -6.381 1.00 0.00 C ATOM 149 C6 DC A 5 -6.593 1.159 -7.583 1.00 0.00 C ATOM 0 H5' DC A 5 -7.170 1.604 -12.058 1.00 0.00 H new ATOM 0 H5'' DC A 5 -8.193 0.362 -12.751 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.126 -0.575 -12.010 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.526 -1.782 -11.387 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.602 -0.987 -9.060 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.815 -2.543 -8.887 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.645 -1.625 -8.939 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.385 2.515 -3.916 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.081 0.930 -3.197 1.00 0.00 H new ATOM 0 H5 DC A 5 -6.692 2.834 -6.289 1.00 0.00 H new ATOM 0 H6 DC A 5 -6.772 1.744 -8.473 1.00 0.00 H new ATOM 161 P DG A 6 -7.404 -4.209 -11.562 1.00 0.00 P ATOM 162 OP1 DG A 6 -6.355 -5.054 -12.177 1.00 0.00 O ATOM 163 OP2 DG A 6 -8.670 -3.963 -12.289 1.00 0.00 O ATOM 164 O5' DG A 6 -7.762 -4.825 -10.113 1.00 0.00 O ATOM 165 C5' DG A 6 -8.839 -5.758 -9.970 1.00 0.00 C ATOM 166 C4' DG A 6 -8.976 -6.275 -8.536 1.00 0.00 C ATOM 167 O4' DG A 6 -7.843 -7.045 -8.161 1.00 0.00 O ATOM 168 C3' DG A 6 -9.097 -5.194 -7.479 1.00 0.00 C ATOM 169 O3' DG A 6 -10.462 -4.786 -7.354 1.00 0.00 O ATOM 170 C2' DG A 6 -8.656 -5.913 -6.210 1.00 0.00 C ATOM 171 C1' DG A 6 -7.764 -7.045 -6.727 1.00 0.00 C ATOM 172 N9 DG A 6 -6.354 -6.892 -6.346 1.00 0.00 N ATOM 173 C8 DG A 6 -5.346 -6.257 -7.013 1.00 0.00 C ATOM 174 N7 DG A 6 -4.196 -6.268 -6.409 1.00 0.00 N ATOM 175 C5 DG A 6 -4.460 -6.972 -5.234 1.00 0.00 C ATOM 176 C6 DG A 6 -3.593 -7.310 -4.162 1.00 0.00 C ATOM 177 O6 DG A 6 -2.400 -7.048 -4.036 1.00 0.00 O ATOM 178 N1 DG A 6 -4.258 -8.023 -3.174 1.00 0.00 N ATOM 179 C2 DG A 6 -5.593 -8.369 -3.208 1.00 0.00 C ATOM 180 N2 DG A 6 -6.052 -9.055 -2.160 1.00 0.00 N ATOM 181 N3 DG A 6 -6.412 -8.053 -4.215 1.00 0.00 N ATOM 182 C4 DG A 6 -5.779 -7.357 -5.189 1.00 0.00 C ATOM 0 H5' DG A 6 -8.678 -6.600 -10.643 1.00 0.00 H new ATOM 0 H5'' DG A 6 -9.772 -5.281 -10.272 1.00 0.00 H new ATOM 0 H4' DG A 6 -9.898 -6.856 -8.563 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.515 -4.300 -7.701 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.111 -5.247 -5.541 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.509 -6.298 -5.651 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.120 -7.975 -6.284 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.494 -5.781 -7.971 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.717 -8.314 -2.359 1.00 0.00 H new ATOM 0 H21 DG A 6 -7.031 -9.340 -2.126 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.424 -9.294 -1.393 1.00 0.00 H new ATOM 194 P DG A 7 -10.831 -3.267 -6.960 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.285 -3.083 -7.164 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.871 -2.365 -7.632 1.00 0.00 O ATOM 197 O5' DG A 7 -10.534 -3.231 -5.376 1.00 0.00 O ATOM 198 C5' DG A 7 -11.326 -4.020 -4.488 1.00 0.00 C ATOM 199 C4' DG A 7 -10.970 -3.790 -3.017 1.00 0.00 C ATOM 200 O4' DG A 7 -9.716 -4.390 -2.654 1.00 0.00 O ATOM 201 C3' DG A 7 -10.872 -2.321 -2.590 1.00 0.00 C ATOM 202 O3' DG A 7 -12.051 -1.966 -1.858 1.00 0.00 O ATOM 203 C2' DG A 7 -9.653 -2.282 -1.657 1.00 0.00 C ATOM 204 C1' DG A 7 -9.409 -3.765 -1.417 1.00 0.00 C ATOM 205 N9 DG A 7 -8.039 -4.138 -0.981 1.00 0.00 N ATOM 206 C8 DG A 7 -7.647 -4.522 0.267 1.00 0.00 C ATOM 207 N7 DG A 7 -6.384 -4.767 0.406 1.00 0.00 N ATOM 208 C5 DG A 7 -5.868 -4.532 -0.863 1.00 0.00 C ATOM 209 C6 DG A 7 -4.527 -4.637 -1.320 1.00 0.00 C ATOM 210 O6 DG A 7 -3.528 -4.956 -0.679 1.00 0.00 O ATOM 211 N1 DG A 7 -4.419 -4.317 -2.662 1.00 0.00 N ATOM 212 C2 DG A 7 -5.471 -3.940 -3.474 1.00 0.00 C ATOM 213 N2 DG A 7 -5.162 -3.676 -4.742 1.00 0.00 N ATOM 214 N3 DG A 7 -6.742 -3.835 -3.048 1.00 0.00 N ATOM 215 C4 DG A 7 -6.869 -4.144 -1.732 1.00 0.00 C ATOM 0 H5' DG A 7 -11.193 -5.075 -4.729 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.380 -3.788 -4.643 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.811 -4.256 -2.504 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.779 -1.635 -3.432 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.796 -1.795 -2.122 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.861 -1.745 -0.732 1.00 0.00 H new ATOM 0 H1' DG A 7 -10.030 -4.087 -0.581 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.345 -4.616 1.086 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.491 -4.363 -3.084 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.891 -3.392 -5.396 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.196 -3.758 -5.059 1.00 0.00 H new ATOM 227 P DG A 8 -12.304 -0.451 -1.378 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.737 -0.312 -1.035 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.693 0.458 -2.374 1.00 0.00 O ATOM 230 O5' DG A 8 -11.447 -0.362 -0.016 1.00 0.00 O ATOM 231 C5' DG A 8 -11.757 -1.219 1.086 1.00 0.00 C ATOM 232 C4' DG A 8 -10.620 -1.279 2.100 1.00 0.00 C ATOM 233 O4' DG A 8 -9.434 -1.792 1.512 1.00 0.00 O ATOM 234 C3' DG A 8 -10.238 0.071 2.692 1.00 0.00 C ATOM 235 O3' DG A 8 -10.967 0.293 3.902 1.00 0.00 O ATOM 236 C2' DG A 8 -8.751 -0.074 3.011 1.00 0.00 C ATOM 237 C1' DG A 8 -8.348 -1.393 2.348 1.00 0.00 C ATOM 238 N9 DG A 8 -7.135 -1.306 1.514 1.00 0.00 N ATOM 239 C8 DG A 8 -7.011 -0.971 0.195 1.00 0.00 C ATOM 240 N7 DG A 8 -5.793 -0.970 -0.261 1.00 0.00 N ATOM 241 C5 DG A 8 -5.036 -1.340 0.850 1.00 0.00 C ATOM 242 C6 DG A 8 -3.630 -1.514 0.981 1.00 0.00 C ATOM 243 O6 DG A 8 -2.760 -1.369 0.125 1.00 0.00 O ATOM 244 N1 DG A 8 -3.282 -1.893 2.273 1.00 0.00 N ATOM 245 C2 DG A 8 -4.173 -2.082 3.311 1.00 0.00 C ATOM 246 N2 DG A 8 -3.650 -2.452 4.479 1.00 0.00 N ATOM 247 N3 DG A 8 -5.492 -1.917 3.191 1.00 0.00 N ATOM 248 C4 DG A 8 -5.851 -1.548 1.940 1.00 0.00 C ATOM 0 H5' DG A 8 -11.967 -2.223 0.717 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.663 -0.864 1.578 1.00 0.00 H new ATOM 0 H4' DG A 8 -11.009 -1.924 2.888 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.452 0.903 2.021 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.176 0.763 2.614 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.576 -0.100 4.087 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.125 -2.104 3.144 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.862 -0.725 -0.423 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.292 -2.043 2.469 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.257 -2.607 5.284 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.642 -2.580 4.569 1.00 0.00 H new ATOM 260 P DG A 9 -10.857 1.706 4.664 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.968 1.796 5.639 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.683 2.765 3.645 1.00 0.00 O ATOM 263 O5' DG A 9 -9.475 1.561 5.483 1.00 0.00 O ATOM 264 C5' DG A 9 -9.284 0.485 6.406 1.00 0.00 C ATOM 265 C4' DG A 9 -7.816 0.340 6.816 1.00 0.00 C ATOM 266 O4' DG A 9 -6.973 0.336 5.642 1.00 0.00 O ATOM 267 C3' DG A 9 -7.293 1.486 7.702 1.00 0.00 C ATOM 268 O3' DG A 9 -6.401 0.960 8.695 1.00 0.00 O ATOM 269 C2' DG A 9 -6.483 2.322 6.731 1.00 0.00 C ATOM 270 C1' DG A 9 -5.882 1.206 5.917 1.00 0.00 C ATOM 271 N9 DG A 9 -5.236 1.604 4.656 1.00 0.00 N ATOM 272 C8 DG A 9 -5.771 2.121 3.513 1.00 0.00 C ATOM 273 N7 DG A 9 -4.908 2.379 2.572 1.00 0.00 N ATOM 274 C5 DG A 9 -3.692 1.997 3.143 1.00 0.00 C ATOM 275 C6 DG A 9 -2.373 2.036 2.609 1.00 0.00 C ATOM 276 O6 DG A 9 -2.009 2.430 1.503 1.00 0.00 O ATOM 277 N1 DG A 9 -1.441 1.555 3.522 1.00 0.00 N ATOM 278 C2 DG A 9 -1.736 1.093 4.789 1.00 0.00 C ATOM 279 N2 DG A 9 -0.710 0.666 5.524 1.00 0.00 N ATOM 280 N3 DG A 9 -2.969 1.058 5.289 1.00 0.00 N ATOM 281 C4 DG A 9 -3.891 1.522 4.416 1.00 0.00 C ATOM 0 H5' DG A 9 -9.629 -0.446 5.955 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.894 0.655 7.293 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.776 -0.592 7.379 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.088 2.030 8.212 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.100 2.994 6.135 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.731 2.936 7.227 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.068 0.759 6.488 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.829 2.303 3.397 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.463 1.543 3.233 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.870 0.314 6.468 1.00 0.00 H new ATOM 0 H22 DG A 9 0.236 0.691 5.143 1.00 0.00 H new ATOM 293 P DC A 10 -6.949 0.301 10.055 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.191 1.001 10.444 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.820 0.212 11.011 1.00 0.00 O ATOM 296 O5' DC A 10 -7.327 -1.192 9.588 1.00 0.00 O ATOM 297 C5' DC A 10 -6.301 -2.172 9.402 1.00 0.00 C ATOM 298 C4' DC A 10 -6.895 -3.551 9.138 1.00 0.00 C ATOM 299 O4' DC A 10 -7.648 -3.968 10.282 1.00 0.00 O ATOM 300 C3' DC A 10 -7.828 -3.590 7.939 1.00 0.00 C ATOM 301 O3' DC A 10 -7.755 -4.873 7.315 1.00 0.00 O ATOM 302 C2' DC A 10 -9.203 -3.393 8.555 1.00 0.00 C ATOM 303 C1' DC A 10 -9.045 -3.992 9.952 1.00 0.00 C ATOM 304 N1 DC A 10 -9.762 -3.259 11.014 1.00 0.00 N ATOM 305 C2 DC A 10 -11.074 -3.626 11.269 1.00 0.00 C ATOM 306 O2 DC A 10 -11.601 -4.522 10.612 1.00 0.00 O ATOM 307 N3 DC A 10 -11.747 -2.975 12.256 1.00 0.00 N ATOM 308 C4 DC A 10 -11.159 -2.003 12.966 1.00 0.00 C ATOM 309 N4 DC A 10 -11.846 -1.388 13.928 1.00 0.00 N ATOM 310 C5 DC A 10 -9.805 -1.620 12.705 1.00 0.00 C ATOM 311 C6 DC A 10 -9.147 -2.271 11.726 1.00 0.00 C ATOM 0 H5' DC A 10 -5.667 -2.210 10.287 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.665 -1.881 8.566 1.00 0.00 H new ATOM 0 H4' DC A 10 -6.052 -4.211 8.932 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.588 -2.846 7.180 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.479 -2.339 8.597 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.978 -3.903 7.983 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.470 -4.995 9.913 1.00 0.00 H new ATOM 0 H41 DC A 10 -11.407 -0.647 14.474 1.00 0.00 H new ATOM 0 H42 DC A 10 -12.811 -1.659 14.118 1.00 0.00 H new ATOM 0 H5 DC A 10 -9.327 -0.836 13.273 1.00 0.00 H new ATOM 0 H6 DC A 10 -8.123 -2.008 11.503 1.00 0.00 H new ATOM 323 P DG A 11 -6.769 -5.114 6.065 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.503 -3.806 5.426 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.307 -6.235 5.260 1.00 0.00 O ATOM 326 O5' DG A 11 -5.414 -5.610 6.777 1.00 0.00 O ATOM 327 C5' DG A 11 -5.375 -6.874 7.440 1.00 0.00 C ATOM 328 C4' DG A 11 -3.992 -7.182 8.008 1.00 0.00 C ATOM 329 O4' DG A 11 -3.108 -7.575 6.921 1.00 0.00 O ATOM 330 C3' DG A 11 -3.340 -6.025 8.749 1.00 0.00 C ATOM 331 O3' DG A 11 -2.722 -6.502 9.950 1.00 0.00 O ATOM 332 C2' DG A 11 -2.267 -5.542 7.774 1.00 0.00 C ATOM 333 C1' DG A 11 -1.889 -6.838 7.046 1.00 0.00 C ATOM 334 N9 DG A 11 -1.319 -6.650 5.698 1.00 0.00 N ATOM 335 C8 DG A 11 -0.021 -6.786 5.301 1.00 0.00 C ATOM 336 N7 DG A 11 0.203 -6.544 4.046 1.00 0.00 N ATOM 337 C5 DG A 11 -1.060 -6.216 3.555 1.00 0.00 C ATOM 338 C6 DG A 11 -1.455 -5.854 2.239 1.00 0.00 C ATOM 339 O6 DG A 11 -0.756 -5.752 1.234 1.00 0.00 O ATOM 340 N1 DG A 11 -2.818 -5.602 2.169 1.00 0.00 N ATOM 341 C2 DG A 11 -3.696 -5.687 3.230 1.00 0.00 C ATOM 342 N2 DG A 11 -4.970 -5.403 2.963 1.00 0.00 N ATOM 343 N3 DG A 11 -3.327 -6.029 4.471 1.00 0.00 N ATOM 344 C4 DG A 11 -2.000 -6.278 4.560 1.00 0.00 C ATOM 0 H5' DG A 11 -5.662 -7.659 6.740 1.00 0.00 H new ATOM 0 H5'' DG A 11 -6.108 -6.882 8.247 1.00 0.00 H new ATOM 0 H4' DG A 11 -4.142 -7.980 8.736 1.00 0.00 H new ATOM 0 H3' DG A 11 -4.046 -5.246 9.036 1.00 0.00 H new ATOM 0 H2' DG A 11 -2.650 -4.786 7.088 1.00 0.00 H new ATOM 0 H2'' DG A 11 -1.415 -5.101 8.291 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.110 -7.338 7.621 1.00 0.00 H new ATOM 0 H8 DG A 11 0.765 -7.075 5.983 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.201 -5.333 1.263 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.669 -5.448 3.705 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.247 -5.141 2.017 1.00 0.00 H new ATOM 356 P DG A 12 -2.230 -5.465 11.078 1.00 0.00 P ATOM 357 OP1 DG A 12 -1.936 -6.227 12.314 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.189 -4.340 11.113 1.00 0.00 O ATOM 359 O5' DG A 12 -0.837 -4.927 10.476 1.00 0.00 O ATOM 360 C5' DG A 12 0.286 -5.805 10.361 1.00 0.00 C ATOM 361 C4' DG A 12 1.356 -5.233 9.433 1.00 0.00 C ATOM 362 O4' DG A 12 0.893 -5.122 8.110 1.00 0.00 O ATOM 363 C3' DG A 12 1.822 -3.834 9.807 1.00 0.00 C ATOM 364 O3' DG A 12 2.930 -3.923 10.706 1.00 0.00 O ATOM 365 C2' DG A 12 2.276 -3.224 8.485 1.00 0.00 C ATOM 366 C1' DG A 12 1.750 -4.199 7.427 1.00 0.00 C ATOM 367 N9 DG A 12 0.963 -3.573 6.348 1.00 0.00 N ATOM 368 C8 DG A 12 -0.351 -3.203 6.343 1.00 0.00 C ATOM 369 N7 DG A 12 -0.769 -2.664 5.237 1.00 0.00 N ATOM 370 C5 DG A 12 0.367 -2.674 4.430 1.00 0.00 C ATOM 371 C6 DG A 12 0.540 -2.212 3.096 1.00 0.00 C ATOM 372 O6 DG A 12 -0.290 -1.689 2.356 1.00 0.00 O ATOM 373 N1 DG A 12 1.842 -2.410 2.655 1.00 0.00 N ATOM 374 C2 DG A 12 2.853 -2.980 3.399 1.00 0.00 C ATOM 375 N2 DG A 12 4.039 -3.089 2.800 1.00 0.00 N ATOM 376 N3 DG A 12 2.694 -3.412 4.653 1.00 0.00 N ATOM 377 C4 DG A 12 1.432 -3.229 5.102 1.00 0.00 C ATOM 0 H5' DG A 12 -0.045 -6.772 9.983 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.715 -5.979 11.348 1.00 0.00 H new ATOM 0 H4' DG A 12 2.178 -5.942 9.532 1.00 0.00 H new ATOM 0 H3' DG A 12 1.046 -3.245 10.297 1.00 0.00 H new ATOM 0 H2' DG A 12 1.866 -2.224 8.345 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.361 -3.133 8.439 1.00 0.00 H new ATOM 0 H1' DG A 12 2.616 -4.657 6.948 1.00 0.00 H new ATOM 0 H8 DG A 12 -0.997 -3.348 7.197 1.00 0.00 H new ATOM 0 H1 DG A 12 2.068 -2.110 1.707 1.00 0.00 H new ATOM 0 H21 DG A 12 4.826 -3.502 3.299 1.00 0.00 H new ATOM 0 H22 DG A 12 4.159 -2.759 1.842 1.00 0.00 H new ATOM 389 P DG A 13 3.458 -2.614 11.478 1.00 0.00 P ATOM 390 OP1 DG A 13 4.334 -3.053 12.588 1.00 0.00 O ATOM 391 OP2 DG A 13 2.297 -1.739 11.756 1.00 0.00 O ATOM 392 O5' DG A 13 4.375 -1.899 10.364 1.00 0.00 O ATOM 393 C5' DG A 13 5.525 -2.568 9.840 1.00 0.00 C ATOM 394 C4' DG A 13 6.077 -1.874 8.598 1.00 0.00 C ATOM 395 O4' DG A 13 5.107 -1.807 7.577 1.00 0.00 O ATOM 396 C3' DG A 13 6.516 -0.435 8.828 1.00 0.00 C ATOM 397 O3' DG A 13 7.895 -0.405 9.200 1.00 0.00 O ATOM 398 C2' DG A 13 6.339 0.221 7.459 1.00 0.00 C ATOM 399 C1' DG A 13 5.531 -0.801 6.655 1.00 0.00 C ATOM 400 N9 DG A 13 4.331 -0.252 5.998 1.00 0.00 N ATOM 401 C8 DG A 13 3.071 -0.083 6.498 1.00 0.00 C ATOM 402 N7 DG A 13 2.214 0.437 5.670 1.00 0.00 N ATOM 403 C5 DG A 13 2.968 0.636 4.514 1.00 0.00 C ATOM 404 C6 DG A 13 2.584 1.179 3.258 1.00 0.00 C ATOM 405 O6 DG A 13 1.483 1.605 2.914 1.00 0.00 O ATOM 406 N1 DG A 13 3.649 1.199 2.366 1.00 0.00 N ATOM 407 C2 DG A 13 4.924 0.752 2.644 1.00 0.00 C ATOM 408 N2 DG A 13 5.813 0.847 1.656 1.00 0.00 N ATOM 409 N3 DG A 13 5.288 0.244 3.824 1.00 0.00 N ATOM 410 C4 DG A 13 4.265 0.215 4.708 1.00 0.00 C ATOM 0 H5' DG A 13 5.264 -3.597 9.594 1.00 0.00 H new ATOM 0 H5'' DG A 13 6.300 -2.610 10.606 1.00 0.00 H new ATOM 0 H4' DG A 13 6.939 -2.483 8.325 1.00 0.00 H new ATOM 0 H3' DG A 13 5.953 0.062 9.618 1.00 0.00 H new ATOM 0 H2' DG A 13 5.812 1.172 7.538 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.300 0.427 6.989 1.00 0.00 H new ATOM 0 H1' DG A 13 6.174 -1.171 5.856 1.00 0.00 H new ATOM 0 H8 DG A 13 2.806 -0.361 7.507 1.00 0.00 H new ATOM 0 H1 DG A 13 3.475 1.573 1.433 1.00 0.00 H new ATOM 0 H21 DG A 13 6.772 0.533 1.801 1.00 0.00 H new ATOM 0 H22 DG A 13 5.534 1.234 0.754 1.00 0.00 H new ATOM 422 P DG A 14 8.483 0.836 10.039 1.00 0.00 P ATOM 423 OP1 DG A 14 9.844 0.483 10.501 1.00 0.00 O ATOM 424 OP2 DG A 14 7.457 1.258 11.019 1.00 0.00 O ATOM 425 O5' DG A 14 8.616 1.985 8.917 1.00 0.00 O ATOM 426 C5' DG A 14 9.467 1.799 7.781 1.00 0.00 C ATOM 427 C4' DG A 14 9.071 2.709 6.621 1.00 0.00 C ATOM 428 O4' DG A 14 7.669 2.549 6.377 1.00 0.00 O ATOM 429 C3' DG A 14 9.340 4.188 6.884 1.00 0.00 C ATOM 430 O3' DG A 14 10.372 4.642 6.004 1.00 0.00 O ATOM 431 C2' DG A 14 8.039 4.903 6.541 1.00 0.00 C ATOM 432 C1' DG A 14 6.991 3.800 6.513 1.00 0.00 C ATOM 433 N9 DG A 14 6.160 3.722 7.724 1.00 0.00 N ATOM 434 C8 DG A 14 6.525 3.402 8.999 1.00 0.00 C ATOM 435 N7 DG A 14 5.559 3.413 9.868 1.00 0.00 N ATOM 436 C5 DG A 14 4.450 3.774 9.106 1.00 0.00 C ATOM 437 C6 DG A 14 3.096 3.952 9.495 1.00 0.00 C ATOM 438 O6 DG A 14 2.603 3.830 10.614 1.00 0.00 O ATOM 439 N1 DG A 14 2.299 4.312 8.416 1.00 0.00 N ATOM 440 C2 DG A 14 2.747 4.480 7.122 1.00 0.00 C ATOM 441 N2 DG A 14 1.828 4.820 6.218 1.00 0.00 N ATOM 442 N3 DG A 14 4.020 4.316 6.752 1.00 0.00 N ATOM 443 C4 DG A 14 4.811 3.964 7.791 1.00 0.00 C ATOM 0 H5' DG A 14 9.421 0.759 7.459 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.500 2.000 8.064 1.00 0.00 H new ATOM 0 H4' DG A 14 9.681 2.416 5.766 1.00 0.00 H new ATOM 0 H3' DG A 14 9.653 4.373 7.912 1.00 0.00 H new ATOM 0 H2' DG A 14 7.796 5.662 7.284 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.107 5.410 5.578 1.00 0.00 H new ATOM 0 H1' DG A 14 6.325 4.027 5.681 1.00 0.00 H new ATOM 0 H8 DG A 14 7.542 3.157 9.266 1.00 0.00 H new ATOM 0 H1 DG A 14 1.306 4.464 8.594 1.00 0.00 H new ATOM 0 H21 DG A 14 2.098 4.959 5.244 1.00 0.00 H new ATOM 0 H22 DG A 14 0.855 4.941 6.500 1.00 0.00 H new ATOM 455 P DC A 15 11.894 4.770 6.512 1.00 0.00 P ATOM 456 OP1 DC A 15 11.877 5.100 7.954 1.00 0.00 O ATOM 457 OP2 DC A 15 12.625 5.641 5.564 1.00 0.00 O ATOM 458 O5' DC A 15 12.446 3.269 6.343 1.00 0.00 O ATOM 459 C5' DC A 15 12.967 2.831 5.085 1.00 0.00 C ATOM 460 C4' DC A 15 13.663 1.479 5.206 1.00 0.00 C ATOM 461 O4' DC A 15 14.785 1.602 6.087 1.00 0.00 O ATOM 462 C3' DC A 15 12.772 0.376 5.759 1.00 0.00 C ATOM 463 O3' DC A 15 13.157 -0.882 5.199 1.00 0.00 O ATOM 464 C2' DC A 15 13.089 0.387 7.242 1.00 0.00 C ATOM 465 C1' DC A 15 14.548 0.826 7.269 1.00 0.00 C ATOM 466 N1 DC A 15 14.911 1.658 8.432 1.00 0.00 N ATOM 467 C2 DC A 15 15.326 1.000 9.577 1.00 0.00 C ATOM 468 O2 DC A 15 15.372 -0.228 9.598 1.00 0.00 O ATOM 469 N3 DC A 15 15.675 1.745 10.661 1.00 0.00 N ATOM 470 C4 DC A 15 15.618 3.082 10.624 1.00 0.00 C ATOM 471 N4 DC A 15 15.968 3.779 11.704 1.00 0.00 N ATOM 472 C5 DC A 15 15.189 3.768 9.443 1.00 0.00 C ATOM 473 C6 DC A 15 14.846 3.021 8.376 1.00 0.00 C ATOM 0 H5' DC A 15 13.671 3.571 4.705 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.157 2.760 4.360 1.00 0.00 H new ATOM 0 H4' DC A 15 13.954 1.200 4.193 1.00 0.00 H new ATOM 0 H3' DC A 15 11.715 0.523 5.538 1.00 0.00 H new ATOM 0 H2' DC A 15 12.448 1.079 7.788 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.954 -0.596 7.692 1.00 0.00 H new ATOM 0 H1' DC A 15 15.153 -0.079 7.329 1.00 0.00 H new ATOM 0 H41 DC A 15 15.929 4.798 11.688 1.00 0.00 H new ATOM 0 H42 DC A 15 16.275 3.293 12.547 1.00 0.00 H new ATOM 0 H5 DC A 15 15.142 4.846 9.409 1.00 0.00 H new ATOM 0 H6 DC A 15 14.517 3.504 7.468 1.00 0.00 H new ATOM 485 P DG A 16 12.516 -1.393 3.815 1.00 0.00 P ATOM 486 OP1 DG A 16 12.851 -2.825 3.654 1.00 0.00 O ATOM 487 OP2 DG A 16 12.877 -0.426 2.753 1.00 0.00 O ATOM 488 O5' DG A 16 10.934 -1.273 4.094 1.00 0.00 O ATOM 489 C5' DG A 16 10.349 -1.888 5.249 1.00 0.00 C ATOM 490 C4' DG A 16 8.831 -1.728 5.266 1.00 0.00 C ATOM 491 O4' DG A 16 8.522 -0.332 5.191 1.00 0.00 O ATOM 492 C3' DG A 16 8.132 -2.424 4.105 1.00 0.00 C ATOM 493 O3' DG A 16 6.948 -3.071 4.585 1.00 0.00 O ATOM 494 C2' DG A 16 7.746 -1.311 3.135 1.00 0.00 C ATOM 495 C1' DG A 16 7.958 -0.016 3.916 1.00 0.00 C ATOM 496 N9 DG A 16 8.870 0.933 3.254 1.00 0.00 N ATOM 497 C8 DG A 16 10.072 0.692 2.649 1.00 0.00 C ATOM 498 N7 DG A 16 10.649 1.736 2.134 1.00 0.00 N ATOM 499 C5 DG A 16 9.757 2.767 2.418 1.00 0.00 C ATOM 500 C6 DG A 16 9.837 4.152 2.107 1.00 0.00 C ATOM 501 O6 DG A 16 10.728 4.748 1.503 1.00 0.00 O ATOM 502 N1 DG A 16 8.731 4.845 2.578 1.00 0.00 N ATOM 503 C2 DG A 16 7.674 4.280 3.264 1.00 0.00 C ATOM 504 N2 DG A 16 6.704 5.113 3.644 1.00 0.00 N ATOM 505 N3 DG A 16 7.593 2.979 3.556 1.00 0.00 N ATOM 506 C4 DG A 16 8.665 2.285 3.105 1.00 0.00 C ATOM 0 H5' DG A 16 10.772 -1.445 6.151 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.603 -2.948 5.265 1.00 0.00 H new ATOM 0 H4' DG A 16 8.474 -2.189 6.187 1.00 0.00 H new ATOM 0 H3' DG A 16 8.766 -3.174 3.633 1.00 0.00 H new ATOM 0 H2' DG A 16 8.365 -1.337 2.238 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.710 -1.411 2.811 1.00 0.00 H new ATOM 0 H1' DG A 16 6.980 0.459 3.993 1.00 0.00 H new ATOM 0 H8 DG A 16 10.510 -0.294 2.603 1.00 0.00 H new ATOM 0 H1 DG A 16 8.696 5.849 2.404 1.00 0.00 H new ATOM 0 H21 DG A 16 5.896 4.756 4.154 1.00 0.00 H new ATOM 0 H22 DG A 16 6.770 6.107 3.424 1.00 0.00 H new ATOM 518 P DG A 17 6.940 -4.654 4.885 1.00 0.00 P ATOM 519 OP1 DG A 17 5.642 -5.002 5.504 1.00 0.00 O ATOM 520 OP2 DG A 17 8.205 -5.005 5.573 1.00 0.00 O ATOM 521 O5' DG A 17 6.969 -5.288 3.402 1.00 0.00 O ATOM 522 C5' DG A 17 7.687 -6.496 3.147 1.00 0.00 C ATOM 523 C4' DG A 17 8.077 -6.622 1.676 1.00 0.00 C ATOM 524 O4' DG A 17 6.983 -7.162 0.905 1.00 0.00 O ATOM 525 C3' DG A 17 8.483 -5.306 1.017 1.00 0.00 C ATOM 526 O3' DG A 17 9.915 -5.205 1.008 1.00 0.00 O ATOM 527 C2' DG A 17 7.965 -5.397 -0.420 1.00 0.00 C ATOM 528 C1' DG A 17 7.106 -6.665 -0.426 1.00 0.00 C ATOM 529 N9 DG A 17 5.748 -6.445 -0.948 1.00 0.00 N ATOM 530 C8 DG A 17 5.351 -6.300 -2.241 1.00 0.00 C ATOM 531 N7 DG A 17 4.079 -6.110 -2.412 1.00 0.00 N ATOM 532 C5 DG A 17 3.577 -6.128 -1.111 1.00 0.00 C ATOM 533 C6 DG A 17 2.243 -5.972 -0.648 1.00 0.00 C ATOM 534 O6 DG A 17 1.223 -5.784 -1.309 1.00 0.00 O ATOM 535 N1 DG A 17 2.170 -6.055 0.736 1.00 0.00 N ATOM 536 C2 DG A 17 3.245 -6.261 1.574 1.00 0.00 C ATOM 537 N2 DG A 17 2.977 -6.303 2.878 1.00 0.00 N ATOM 538 N3 DG A 17 4.503 -6.412 1.142 1.00 0.00 N ATOM 539 C4 DG A 17 4.594 -6.334 -0.206 1.00 0.00 C ATOM 0 H5' DG A 17 7.075 -7.351 3.436 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.584 -6.523 3.765 1.00 0.00 H new ATOM 0 H4' DG A 17 8.944 -7.283 1.679 1.00 0.00 H new ATOM 0 H3' DG A 17 8.082 -4.438 1.541 1.00 0.00 H new ATOM 0 H2' DG A 17 7.380 -4.518 -0.690 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.784 -5.467 -1.136 1.00 0.00 H new ATOM 0 H1' DG A 17 7.611 -7.374 -1.082 1.00 0.00 H new ATOM 0 H8 DG A 17 6.046 -6.340 -3.067 1.00 0.00 H new ATOM 0 H1 DG A 17 1.250 -5.956 1.166 1.00 0.00 H new ATOM 0 H21 DG A 17 3.731 -6.453 3.549 1.00 0.00 H new ATOM 0 H22 DG A 17 2.018 -6.186 3.206 1.00 0.00 H new ATOM 551 P DG A 18 10.635 -3.811 1.365 1.00 0.00 P ATOM 552 OP1 DG A 18 12.098 -3.995 1.223 1.00 0.00 O ATOM 553 OP2 DG A 18 10.076 -3.323 2.647 1.00 0.00 O ATOM 554 O5' DG A 18 10.128 -2.847 0.177 1.00 0.00 O ATOM 555 C5' DG A 18 10.582 -3.063 -1.164 1.00 0.00 C ATOM 556 C4' DG A 18 9.662 -2.413 -2.194 1.00 0.00 C ATOM 557 O4' DG A 18 8.367 -2.988 -2.116 1.00 0.00 O ATOM 558 C3' DG A 18 9.475 -0.926 -2.004 1.00 0.00 C ATOM 559 O3' DG A 18 10.507 -0.216 -2.687 1.00 0.00 O ATOM 560 C2' DG A 18 8.131 -0.671 -2.679 1.00 0.00 C ATOM 561 C1' DG A 18 7.427 -2.028 -2.627 1.00 0.00 C ATOM 562 N9 DG A 18 6.233 -2.037 -1.759 1.00 0.00 N ATOM 563 C8 DG A 18 6.140 -2.273 -0.417 1.00 0.00 C ATOM 564 N7 DG A 18 4.940 -2.179 0.078 1.00 0.00 N ATOM 565 C5 DG A 18 4.162 -1.854 -1.031 1.00 0.00 C ATOM 566 C6 DG A 18 2.761 -1.620 -1.127 1.00 0.00 C ATOM 567 O6 DG A 18 1.919 -1.653 -0.232 1.00 0.00 O ATOM 568 N1 DG A 18 2.383 -1.323 -2.431 1.00 0.00 N ATOM 569 C2 DG A 18 3.242 -1.258 -3.509 1.00 0.00 C ATOM 570 N2 DG A 18 2.695 -0.964 -4.687 1.00 0.00 N ATOM 571 N3 DG A 18 4.557 -1.475 -3.422 1.00 0.00 N ATOM 572 C4 DG A 18 4.945 -1.766 -2.159 1.00 0.00 C ATOM 0 H5' DG A 18 10.643 -4.134 -1.358 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.589 -2.662 -1.274 1.00 0.00 H new ATOM 0 H4' DG A 18 10.149 -2.585 -3.154 1.00 0.00 H new ATOM 0 H3' DG A 18 9.509 -0.608 -0.962 1.00 0.00 H new ATOM 0 H2' DG A 18 7.560 0.095 -2.155 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.259 -0.327 -3.705 1.00 0.00 H new ATOM 0 H1' DG A 18 7.088 -2.264 -3.636 1.00 0.00 H new ATOM 0 H8 DG A 18 6.999 -2.520 0.189 1.00 0.00 H new ATOM 0 H1 DG A 18 1.395 -1.139 -2.605 1.00 0.00 H new ATOM 0 H21 DG A 18 3.280 -0.902 -5.520 1.00 0.00 H new ATOM 0 H22 DG A 18 1.691 -0.801 -4.756 1.00 0.00 H new ATOM 584 P DG A 19 10.824 1.311 -2.302 1.00 0.00 P ATOM 585 OP1 DG A 19 12.089 1.703 -2.962 1.00 0.00 O ATOM 586 OP2 DG A 19 10.684 1.451 -0.835 1.00 0.00 O ATOM 587 O5' DG A 19 9.612 2.109 -3.009 1.00 0.00 O ATOM 588 C5' DG A 19 9.509 2.144 -4.437 1.00 0.00 C ATOM 589 C4' DG A 19 8.181 2.737 -4.906 1.00 0.00 C ATOM 590 O4' DG A 19 7.096 1.972 -4.403 1.00 0.00 O ATOM 591 C3' DG A 19 7.936 4.159 -4.452 1.00 0.00 C ATOM 592 O3' DG A 19 8.507 5.080 -5.386 1.00 0.00 O ATOM 593 C2' DG A 19 6.418 4.268 -4.480 1.00 0.00 C ATOM 594 C1' DG A 19 5.939 2.822 -4.343 1.00 0.00 C ATOM 595 N9 DG A 19 5.232 2.554 -3.076 1.00 0.00 N ATOM 596 C8 DG A 19 5.741 2.173 -1.868 1.00 0.00 C ATOM 597 N7 DG A 19 4.864 2.044 -0.916 1.00 0.00 N ATOM 598 C5 DG A 19 3.662 2.367 -1.544 1.00 0.00 C ATOM 599 C6 DG A 19 2.341 2.406 -1.019 1.00 0.00 C ATOM 600 O6 DG A 19 1.968 2.163 0.127 1.00 0.00 O ATOM 601 N1 DG A 19 1.419 2.777 -1.989 1.00 0.00 N ATOM 602 C2 DG A 19 1.726 3.074 -3.301 1.00 0.00 C ATOM 603 N2 DG A 19 0.703 3.405 -4.088 1.00 0.00 N ATOM 604 N3 DG A 19 2.965 3.040 -3.797 1.00 0.00 N ATOM 605 C4 DG A 19 3.880 2.679 -2.866 1.00 0.00 C ATOM 0 H5' DG A 19 9.613 1.133 -4.832 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.331 2.732 -4.845 1.00 0.00 H new ATOM 0 H4' DG A 19 8.246 2.722 -5.994 1.00 0.00 H new ATOM 0 H3' DG A 19 8.373 4.384 -3.479 1.00 0.00 H new ATOM 0 H2' DG A 19 6.048 4.890 -3.665 1.00 0.00 H new ATOM 0 H2'' DG A 19 6.067 4.718 -5.409 1.00 0.00 H new ATOM 0 H1' DG A 19 5.231 2.631 -5.149 1.00 0.00 H new ATOM 0 H8 DG A 19 6.795 1.992 -1.714 1.00 0.00 H new ATOM 0 H1 DG A 19 0.440 2.834 -1.710 1.00 0.00 H new ATOM 0 H21 DG A 19 0.867 3.635 -5.068 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.244 3.428 -3.710 1.00 0.00 H new ATOM 617 P DT A 20 8.992 6.531 -4.886 1.00 0.00 P ATOM 618 OP1 DT A 20 9.626 7.233 -6.024 1.00 0.00 O ATOM 619 OP2 DT A 20 9.736 6.352 -3.620 1.00 0.00 O ATOM 620 O5' DT A 20 7.601 7.267 -4.550 1.00 0.00 O ATOM 621 C5' DT A 20 6.662 7.529 -5.593 1.00 0.00 C ATOM 622 C4' DT A 20 5.300 7.956 -5.043 1.00 0.00 C ATOM 623 O4' DT A 20 4.863 7.026 -4.030 1.00 0.00 O ATOM 624 C3' DT A 20 5.293 9.327 -4.381 1.00 0.00 C ATOM 625 O3' DT A 20 5.098 10.385 -5.327 1.00 0.00 O ATOM 626 C2' DT A 20 4.114 9.193 -3.431 1.00 0.00 C ATOM 627 C1' DT A 20 4.308 7.772 -2.936 1.00 0.00 C ATOM 628 N1 DT A 20 5.245 7.672 -1.809 1.00 0.00 N ATOM 629 C2 DT A 20 4.735 7.860 -0.542 1.00 0.00 C ATOM 630 O2 DT A 20 3.538 8.057 -0.341 1.00 0.00 O ATOM 631 N3 DT A 20 5.650 7.810 0.490 1.00 0.00 N ATOM 632 C4 DT A 20 7.011 7.591 0.363 1.00 0.00 C ATOM 633 O4 DT A 20 7.738 7.575 1.353 1.00 0.00 O ATOM 634 C5 DT A 20 7.450 7.402 -1.002 1.00 0.00 C ATOM 635 C7 DT A 20 8.928 7.159 -1.290 1.00 0.00 C ATOM 636 C6 DT A 20 6.576 7.445 -2.024 1.00 0.00 C ATOM 0 H5' DT A 20 6.542 6.635 -6.206 1.00 0.00 H new ATOM 0 H5'' DT A 20 7.052 8.312 -6.244 1.00 0.00 H new ATOM 0 H4' DT A 20 4.646 7.982 -5.915 1.00 0.00 H new ATOM 0 H3' DT A 20 6.233 9.586 -3.894 1.00 0.00 H new ATOM 0 H2' DT A 20 4.151 9.921 -2.621 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.158 9.327 -3.937 1.00 0.00 H new ATOM 0 HO3' DT A 20 5.099 11.246 -4.859 1.00 0.00 H new ATOM 0 H1' DT A 20 3.344 7.397 -2.591 1.00 0.00 H new ATOM 0 H3 DT A 20 5.290 7.947 1.434 1.00 0.00 H new ATOM 0 H71 DT A 20 9.533 7.661 -0.535 1.00 0.00 H new ATOM 0 H72 DT A 20 9.132 6.089 -1.266 1.00 0.00 H new ATOM 0 H73 DT A 20 9.176 7.554 -2.275 1.00 0.00 H new ATOM 0 H6 DT A 20 6.932 7.297 -3.033 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.268 5.905 0.987 1.00 0.00 C HETATM 652 C2 BER A 101 -1.579 6.187 0.618 1.00 0.00 C HETATM 653 N1 BER A 101 0.021 5.699 2.278 1.00 0.00 N HETATM 654 C3 BER A 101 0.726 5.855 0.017 1.00 0.00 C HETATM 655 C4 BER A 101 -2.570 6.280 1.584 1.00 0.00 C HETATM 656 C5 BER A 101 -1.922 6.412 -0.709 1.00 0.00 C HETATM 657 C6 BER A 101 1.338 5.415 2.668 1.00 0.00 C HETATM 658 C7 BER A 101 -1.071 5.405 3.235 1.00 0.00 C HETATM 659 C8 BER A 101 2.039 5.581 0.378 1.00 0.00 C HETATM 660 C9 BER A 101 -3.858 6.593 1.165 1.00 0.00 C HETATM 661 C10 BER A 101 -2.228 6.362 2.929 1.00 0.00 C HETATM 662 C11 BER A 101 -3.174 6.712 -1.047 1.00 0.00 C HETATM 663 C12 BER A 101 2.345 5.343 1.713 1.00 0.00 C HETATM 664 C13 BER A 101 3.007 5.418 -0.606 1.00 0.00 C HETATM 665 C14 BER A 101 -4.129 6.793 -0.123 1.00 0.00 C HETATM 666 O1 BER A 101 -3.680 6.940 -2.287 1.00 0.00 O HETATM 667 C15 BER A 101 3.633 4.964 2.071 1.00 0.00 C HETATM 668 C16 BER A 101 4.298 5.046 -0.254 1.00 0.00 C HETATM 669 O2 BER A 101 -5.325 7.101 -0.694 1.00 0.00 O HETATM 670 C17 BER A 101 -5.002 7.449 -2.049 1.00 0.00 C HETATM 671 C18 BER A 101 4.602 4.827 1.084 1.00 0.00 C HETATM 672 O3 BER A 101 3.937 4.699 3.371 1.00 0.00 O HETATM 673 O4 BER A 101 5.869 4.551 1.500 1.00 0.00 O HETATM 674 C19 BER A 101 4.072 5.923 4.095 1.00 0.00 C HETATM 675 C20 BER A 101 6.735 4.454 0.366 1.00 0.00 C HETATM 0 H203 BER A 101 6.387 3.656 -0.290 1.00 0.00 H new HETATM 0 H202 BER A 101 6.730 5.399 -0.178 1.00 0.00 H new HETATM 0 H201 BER A 101 7.749 4.233 0.700 1.00 0.00 H new HETATM 0 H193 BER A 101 4.869 6.521 3.653 1.00 0.00 H new HETATM 0 H192 BER A 101 3.135 6.478 4.050 1.00 0.00 H new HETATM 0 H191 BER A 101 4.315 5.706 5.135 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.035 8.529 -2.192 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.719 7.013 -2.745 1.00 0.00 H new HETATM 0 H161 BER A 101 5.065 4.927 -1.019 1.00 0.00 H new HETATM 0 H131 BER A 101 2.753 5.582 -1.653 1.00 0.00 H new HETATM 0 H102 BER A 101 -1.941 7.384 3.178 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.090 6.113 3.548 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.657 6.676 1.901 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.396 4.369 3.138 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.727 5.537 4.261 1.00 0.00 H new HETATM 0 H61 BER A 101 1.572 5.251 3.720 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.157 6.342 -1.482 1.00 0.00 H new HETATM 0 H31 BER A 101 0.475 6.031 -1.029 1.00 0.00 H new