USER MOD reduce.3.24.130724 H: found=0, std=0, add=235, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 235 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc=-0.00316 USER MOD Single : A 12 DT C7 :methyl -30:sc= -0.102 (180deg=-1.05) USER MOD Single : A 21 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 21 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 12.954 9.284 -0.244 1.00 2.78 O ATOM 2 C5' DC A 1 11.664 9.367 -0.830 1.00 2.47 C ATOM 3 C4' DC A 1 10.805 8.217 -0.361 1.00 1.67 C ATOM 4 O4' DC A 1 9.557 8.222 -1.097 1.00 1.46 O ATOM 5 C3' DC A 1 11.423 6.822 -0.586 1.00 1.06 C ATOM 6 O3' DC A 1 11.378 6.058 0.626 1.00 0.83 O ATOM 7 C2' DC A 1 10.535 6.190 -1.653 1.00 0.84 C ATOM 8 C1' DC A 1 9.211 6.898 -1.436 1.00 0.88 C ATOM 9 N1 DC A 1 8.305 6.932 -2.603 1.00 0.86 N ATOM 10 C2 DC A 1 6.924 6.742 -2.393 1.00 0.84 C ATOM 11 O2 DC A 1 6.512 6.558 -1.235 1.00 0.90 O ATOM 12 N3 DC A 1 6.075 6.768 -3.458 1.00 0.90 N ATOM 13 C4 DC A 1 6.556 6.974 -4.695 1.00 1.01 C ATOM 14 N4 DC A 1 5.690 6.999 -5.709 1.00 1.15 N ATOM 15 C5 DC A 1 7.953 7.170 -4.940 1.00 1.08 C ATOM 16 C6 DC A 1 8.784 7.144 -3.878 1.00 0.99 C ATOM 0 H5' DC A 1 11.748 9.349 -1.917 1.00 2.47 H new ATOM 0 H5'' DC A 1 11.195 10.314 -0.563 1.00 2.47 H new ATOM 0 H4' DC A 1 10.685 8.372 0.711 1.00 1.67 H new ATOM 0 H3' DC A 1 12.470 6.866 -0.887 1.00 1.06 H new ATOM 0 H2' DC A 1 10.925 6.357 -2.657 1.00 0.84 H new ATOM 0 H2'' DC A 1 10.446 5.112 -1.521 1.00 0.84 H new ATOM 0 HO5' DC A 1 13.504 10.033 -0.556 1.00 2.78 H new ATOM 0 H1' DC A 1 8.655 6.352 -0.674 1.00 0.88 H new ATOM 0 H41 DC A 1 6.023 7.153 -6.661 1.00 1.15 H new ATOM 0 H42 DC A 1 4.694 6.864 -5.533 1.00 1.15 H new ATOM 0 H5 DC A 1 8.328 7.333 -5.940 1.00 1.08 H new ATOM 0 H6 DC A 1 9.843 7.292 -4.029 1.00 0.99 H new ATOM 29 P DG A 2 12.527 4.978 0.923 1.00 0.47 P ATOM 30 OP1 DG A 2 13.753 5.689 1.369 1.00 0.68 O ATOM 31 OP2 DG A 2 12.646 4.073 -0.248 1.00 0.77 O ATOM 32 O5' DG A 2 11.925 4.159 2.152 1.00 0.60 O ATOM 33 C5' DG A 2 11.919 4.695 3.475 1.00 0.65 C ATOM 34 C4' DG A 2 10.678 4.273 4.237 1.00 0.57 C ATOM 35 O4' DG A 2 9.494 4.598 3.452 1.00 0.52 O ATOM 36 C3' DG A 2 10.571 2.770 4.535 1.00 0.53 C ATOM 37 O3' DG A 2 9.934 2.576 5.806 1.00 0.55 O ATOM 38 C2' DG A 2 9.695 2.269 3.398 1.00 0.45 C ATOM 39 C1' DG A 2 8.732 3.425 3.220 1.00 0.41 C ATOM 40 N9 DG A 2 8.129 3.516 1.885 1.00 0.37 N ATOM 41 C8 DG A 2 8.781 3.589 0.678 1.00 0.40 C ATOM 42 N7 DG A 2 7.968 3.660 -0.342 1.00 0.43 N ATOM 43 C5 DG A 2 6.702 3.629 0.225 1.00 0.41 C ATOM 44 C6 DG A 2 5.413 3.673 -0.387 1.00 0.44 C ATOM 45 O6 DG A 2 5.143 3.747 -1.591 1.00 0.49 O ATOM 46 N1 DG A 2 4.384 3.617 0.565 1.00 0.42 N ATOM 47 C2 DG A 2 4.585 3.527 1.932 1.00 0.40 C ATOM 48 N2 DG A 2 3.494 3.481 2.711 1.00 0.42 N ATOM 49 N3 DG A 2 5.784 3.486 2.504 1.00 0.38 N ATOM 50 C4 DG A 2 6.789 3.541 1.601 1.00 0.37 C ATOM 0 H5' DG A 2 11.967 5.783 3.429 1.00 0.65 H new ATOM 0 H5'' DG A 2 12.808 4.359 4.009 1.00 0.65 H new ATOM 0 H4' DG A 2 10.749 4.807 5.185 1.00 0.57 H new ATOM 0 H3' DG A 2 11.529 2.252 4.592 1.00 0.53 H new ATOM 0 H2' DG A 2 10.271 2.073 2.493 1.00 0.45 H new ATOM 0 H2'' DG A 2 9.180 1.343 3.655 1.00 0.45 H new ATOM 0 H1' DG A 2 7.898 3.287 3.908 1.00 0.41 H new ATOM 0 H8 DG A 2 9.857 3.588 0.582 1.00 0.40 H new ATOM 0 H1 DG A 2 3.422 3.644 0.227 1.00 0.42 H new ATOM 0 H21 DG A 2 3.593 3.415 3.724 1.00 0.42 H new ATOM 0 H22 DG A 2 2.565 3.513 2.290 1.00 0.42 H new ATOM 62 P DG A 3 9.664 1.094 6.359 1.00 0.61 P ATOM 63 OP1 DG A 3 9.951 1.064 7.816 1.00 0.74 O ATOM 64 OP2 DG A 3 10.380 0.117 5.500 1.00 0.68 O ATOM 65 O5' DG A 3 8.090 0.930 6.139 1.00 0.57 O ATOM 66 C5' DG A 3 7.155 1.701 6.892 1.00 0.48 C ATOM 67 C4' DG A 3 5.770 1.092 6.836 1.00 0.40 C ATOM 68 O4' DG A 3 5.183 1.347 5.529 1.00 0.40 O ATOM 69 C3' DG A 3 5.721 -0.433 7.028 1.00 0.42 C ATOM 70 O3' DG A 3 4.628 -0.785 7.883 1.00 0.52 O ATOM 71 C2' DG A 3 5.494 -0.960 5.618 1.00 0.42 C ATOM 72 C1' DG A 3 4.664 0.143 4.997 1.00 0.37 C ATOM 73 N9 DG A 3 4.738 0.210 3.529 1.00 0.35 N ATOM 74 C8 DG A 3 5.875 0.269 2.758 1.00 0.38 C ATOM 75 N7 DG A 3 5.625 0.306 1.478 1.00 0.38 N ATOM 76 C5 DG A 3 4.244 0.269 1.393 1.00 0.33 C ATOM 77 C6 DG A 3 3.396 0.283 0.248 1.00 0.33 C ATOM 78 O6 DG A 3 3.729 0.330 -0.939 1.00 0.37 O ATOM 79 N1 DG A 3 2.044 0.231 0.602 1.00 0.31 N ATOM 80 C2 DG A 3 1.574 0.176 1.905 1.00 0.31 C ATOM 81 N2 DG A 3 0.241 0.133 2.052 1.00 0.36 N ATOM 82 N3 DG A 3 2.361 0.163 2.980 1.00 0.31 N ATOM 83 C4 DG A 3 3.677 0.210 2.653 1.00 0.32 C ATOM 0 H5' DG A 3 7.123 2.719 6.504 1.00 0.48 H new ATOM 0 H5'' DG A 3 7.485 1.766 7.929 1.00 0.48 H new ATOM 0 H4' DG A 3 5.232 1.557 7.662 1.00 0.40 H new ATOM 0 H3' DG A 3 6.620 -0.841 7.491 1.00 0.42 H new ATOM 0 H2' DG A 3 6.432 -1.114 5.084 1.00 0.42 H new ATOM 0 H2'' DG A 3 4.968 -1.915 5.619 1.00 0.42 H new ATOM 0 H1' DG A 3 3.614 -0.039 5.227 1.00 0.37 H new ATOM 0 H8 DG A 3 6.873 0.283 3.170 1.00 0.38 H new ATOM 0 H1 DG A 3 1.356 0.234 -0.151 1.00 0.31 H new ATOM 0 H21 DG A 3 -0.168 0.091 2.985 1.00 0.36 H new ATOM 0 H22 DG A 3 -0.363 0.142 1.230 1.00 0.36 H new ATOM 95 P DG A 4 4.503 -2.284 8.444 1.00 0.63 P ATOM 96 OP1 DG A 4 4.305 -2.232 9.916 1.00 0.85 O ATOM 97 OP2 DG A 4 5.640 -3.090 7.933 1.00 0.69 O ATOM 98 O5' DG A 4 3.155 -2.791 7.759 1.00 0.61 O ATOM 99 C5' DG A 4 1.892 -2.254 8.138 1.00 0.62 C ATOM 100 C4' DG A 4 0.776 -2.801 7.275 1.00 0.59 C ATOM 101 O4' DG A 4 1.008 -2.432 5.888 1.00 0.58 O ATOM 102 C3' DG A 4 0.634 -4.338 7.276 1.00 0.62 C ATOM 103 O3' DG A 4 -0.747 -4.717 7.298 1.00 0.72 O ATOM 104 C2' DG A 4 1.255 -4.737 5.945 1.00 0.59 C ATOM 105 C1' DG A 4 0.856 -3.569 5.067 1.00 0.55 C ATOM 106 N9 DG A 4 1.672 -3.383 3.858 1.00 0.49 N ATOM 107 C8 DG A 4 3.038 -3.260 3.790 1.00 0.49 C ATOM 108 N7 DG A 4 3.478 -3.106 2.570 1.00 0.45 N ATOM 109 C5 DG A 4 2.339 -3.130 1.784 1.00 0.43 C ATOM 110 C6 DG A 4 2.193 -3.008 0.370 1.00 0.43 C ATOM 111 O6 DG A 4 3.077 -2.858 -0.477 1.00 0.46 O ATOM 112 N1 DG A 4 0.853 -3.086 -0.024 1.00 0.46 N ATOM 113 C2 DG A 4 -0.210 -3.259 0.842 1.00 0.49 C ATOM 114 N2 DG A 4 -1.428 -3.314 0.288 1.00 0.55 N ATOM 115 N3 DG A 4 -0.083 -3.373 2.164 1.00 0.50 N ATOM 116 C4 DG A 4 1.211 -3.301 2.565 1.00 0.46 C ATOM 0 H5' DG A 4 1.918 -1.167 8.056 1.00 0.62 H new ATOM 0 H5'' DG A 4 1.694 -2.490 9.184 1.00 0.62 H new ATOM 0 H4' DG A 4 -0.129 -2.373 7.706 1.00 0.59 H new ATOM 0 H3' DG A 4 1.101 -4.810 8.141 1.00 0.62 H new ATOM 0 H2' DG A 4 2.337 -4.848 6.014 1.00 0.59 H new ATOM 0 H2'' DG A 4 0.860 -5.683 5.575 1.00 0.59 H new ATOM 0 H1' DG A 4 -0.154 -3.745 4.697 1.00 0.55 H new ATOM 0 H8 DG A 4 3.682 -3.288 4.656 1.00 0.49 H new ATOM 0 H1 DG A 4 0.646 -3.010 -1.020 1.00 0.46 H new ATOM 0 H21 DG A 4 -2.251 -3.440 0.877 1.00 0.55 H new ATOM 0 H22 DG A 4 -1.533 -3.229 -0.723 1.00 0.55 H new ATOM 128 P DC A 5 -1.574 -4.693 8.673 1.00 1.04 P ATOM 129 OP1 DC A 5 -1.034 -3.629 9.558 1.00 1.36 O ATOM 130 OP2 DC A 5 -1.631 -6.073 9.216 1.00 1.42 O ATOM 131 O5' DC A 5 -3.037 -4.269 8.181 1.00 1.07 O ATOM 132 C5' DC A 5 -3.335 -2.939 7.753 1.00 1.08 C ATOM 133 C4' DC A 5 -2.833 -2.691 6.345 1.00 0.94 C ATOM 134 O4' DC A 5 -3.497 -3.603 5.430 1.00 0.90 O ATOM 135 C3' DC A 5 -3.103 -1.275 5.796 1.00 1.01 C ATOM 136 O3' DC A 5 -1.921 -0.753 5.169 1.00 1.05 O ATOM 137 C2' DC A 5 -4.201 -1.497 4.760 1.00 0.93 C ATOM 138 C1' DC A 5 -3.896 -2.897 4.277 1.00 0.83 C ATOM 139 N1 DC A 5 -5.030 -3.609 3.655 1.00 0.88 N ATOM 140 C2 DC A 5 -4.903 -4.029 2.322 1.00 0.89 C ATOM 141 O2 DC A 5 -3.847 -3.789 1.723 1.00 0.92 O ATOM 142 N3 DC A 5 -5.930 -4.687 1.725 1.00 1.03 N ATOM 143 C4 DC A 5 -7.058 -4.931 2.408 1.00 1.19 C ATOM 144 N4 DC A 5 -8.038 -5.582 1.778 1.00 1.43 N ATOM 145 C5 DC A 5 -7.220 -4.515 3.772 1.00 1.25 C ATOM 146 C6 DC A 5 -6.189 -3.861 4.351 1.00 1.08 C ATOM 0 H5' DC A 5 -2.878 -2.223 8.436 1.00 1.08 H new ATOM 0 H5'' DC A 5 -4.412 -2.774 7.792 1.00 1.08 H new ATOM 0 H4' DC A 5 -1.754 -2.833 6.408 1.00 0.94 H new ATOM 0 H3' DC A 5 -3.387 -0.562 6.570 1.00 1.01 H new ATOM 0 H2' DC A 5 -5.196 -1.424 5.198 1.00 0.93 H new ATOM 0 H2'' DC A 5 -4.154 -0.767 3.952 1.00 0.93 H new ATOM 0 H1' DC A 5 -3.143 -2.834 3.492 1.00 0.83 H new ATOM 0 H41 DC A 5 -8.911 -5.786 2.265 1.00 1.43 H new ATOM 0 H42 DC A 5 -7.914 -5.876 0.809 1.00 1.43 H new ATOM 0 H5 DC A 5 -8.131 -4.717 4.315 1.00 1.25 H new ATOM 0 H6 DC A 5 -6.276 -3.531 5.376 1.00 1.08 H new ATOM 158 P DG A 6 -1.031 0.352 5.922 1.00 1.26 P ATOM 159 OP1 DG A 6 0.374 0.235 5.461 1.00 1.61 O ATOM 160 OP2 DG A 6 -1.284 0.265 7.384 1.00 1.58 O ATOM 161 O5' DG A 6 -1.630 1.717 5.363 1.00 0.97 O ATOM 162 C5' DG A 6 -2.623 2.456 6.073 1.00 0.83 C ATOM 163 C4' DG A 6 -3.592 3.118 5.116 1.00 0.73 C ATOM 164 O4' DG A 6 -2.853 3.943 4.173 1.00 0.63 O ATOM 165 C3' DG A 6 -4.398 2.149 4.249 1.00 0.64 C ATOM 166 O3' DG A 6 -5.662 2.724 3.900 1.00 0.66 O ATOM 167 C2' DG A 6 -3.513 2.001 3.024 1.00 0.54 C ATOM 168 C1' DG A 6 -2.966 3.408 2.859 1.00 0.52 C ATOM 169 N9 DG A 6 -1.647 3.471 2.210 1.00 0.48 N ATOM 170 C8 DG A 6 -0.418 3.554 2.821 1.00 0.48 C ATOM 171 N7 DG A 6 0.575 3.597 1.975 1.00 0.47 N ATOM 172 C5 DG A 6 -0.029 3.537 0.732 1.00 0.45 C ATOM 173 C6 DG A 6 0.547 3.546 -0.571 1.00 0.46 C ATOM 174 O6 DG A 6 1.743 3.609 -0.871 1.00 0.49 O ATOM 175 N1 DG A 6 -0.428 3.469 -1.572 1.00 0.46 N ATOM 176 C2 DG A 6 -1.788 3.390 -1.335 1.00 0.48 C ATOM 177 N2 DG A 6 -2.582 3.317 -2.411 1.00 0.52 N ATOM 178 N3 DG A 6 -2.333 3.381 -0.121 1.00 0.48 N ATOM 179 C4 DG A 6 -1.403 3.458 0.859 1.00 0.46 C ATOM 0 H5' DG A 6 -2.144 3.213 6.693 1.00 0.83 H new ATOM 0 H5'' DG A 6 -3.166 1.791 6.744 1.00 0.83 H new ATOM 0 H4' DG A 6 -4.276 3.673 5.758 1.00 0.73 H new ATOM 0 H3' DG A 6 -4.627 1.202 4.738 1.00 0.64 H new ATOM 0 H2' DG A 6 -2.719 1.270 3.180 1.00 0.54 H new ATOM 0 H2'' DG A 6 -4.077 1.677 2.149 1.00 0.54 H new ATOM 0 H1' DG A 6 -3.642 3.965 2.210 1.00 0.52 H new ATOM 0 H8 DG A 6 -0.288 3.581 3.893 1.00 0.48 H new ATOM 0 H1 DG A 6 -0.114 3.471 -2.542 1.00 0.46 H new ATOM 0 H21 DG A 6 -3.594 3.257 -2.295 1.00 0.52 H new ATOM 0 H22 DG A 6 -2.175 3.322 -3.346 1.00 0.52 H new ATOM 191 P DG A 7 -6.818 1.793 3.294 1.00 0.65 P ATOM 192 OP1 DG A 7 -8.073 2.582 3.201 1.00 0.69 O ATOM 193 OP2 DG A 7 -6.868 0.521 4.060 1.00 0.75 O ATOM 194 O5' DG A 7 -6.282 1.493 1.819 1.00 0.67 O ATOM 195 C5' DG A 7 -6.507 2.402 0.743 1.00 0.60 C ATOM 196 C4' DG A 7 -6.591 1.668 -0.577 1.00 0.54 C ATOM 197 O4' DG A 7 -5.285 1.656 -1.212 1.00 0.51 O ATOM 198 C3' DG A 7 -7.019 0.199 -0.479 1.00 0.52 C ATOM 199 O3' DG A 7 -7.872 -0.127 -1.577 1.00 0.57 O ATOM 200 C2' DG A 7 -5.700 -0.554 -0.576 1.00 0.48 C ATOM 201 C1' DG A 7 -4.909 0.323 -1.526 1.00 0.47 C ATOM 202 N9 DG A 7 -3.450 0.213 -1.396 1.00 0.42 N ATOM 203 C8 DG A 7 -2.730 0.145 -0.231 1.00 0.41 C ATOM 204 N7 DG A 7 -1.443 0.086 -0.426 1.00 0.36 N ATOM 205 C5 DG A 7 -1.299 0.110 -1.802 1.00 0.35 C ATOM 206 C6 DG A 7 -0.120 0.072 -2.605 1.00 0.32 C ATOM 207 O6 DG A 7 1.057 0.017 -2.226 1.00 0.31 O ATOM 208 N1 DG A 7 -0.422 0.111 -3.975 1.00 0.35 N ATOM 209 C2 DG A 7 -1.705 0.180 -4.493 1.00 0.40 C ATOM 210 N2 DG A 7 -1.823 0.196 -5.830 1.00 0.42 N ATOM 211 N3 DG A 7 -2.808 0.222 -3.746 1.00 0.42 N ATOM 212 C4 DG A 7 -2.533 0.183 -2.419 1.00 0.39 C ATOM 0 H5' DG A 7 -5.700 3.134 0.706 1.00 0.60 H new ATOM 0 H5'' DG A 7 -7.431 2.954 0.916 1.00 0.60 H new ATOM 0 H4' DG A 7 -7.352 2.210 -1.139 1.00 0.54 H new ATOM 0 H3' DG A 7 -7.574 -0.039 0.428 1.00 0.52 H new ATOM 0 H2' DG A 7 -5.212 -0.650 0.394 1.00 0.48 H new ATOM 0 H2'' DG A 7 -5.833 -1.563 -0.967 1.00 0.48 H new ATOM 0 H1' DG A 7 -5.134 0.012 -2.546 1.00 0.47 H new ATOM 0 H8 DG A 7 -3.184 0.141 0.749 1.00 0.41 H new ATOM 0 H1 DG A 7 0.356 0.087 -4.634 1.00 0.35 H new ATOM 0 H21 DG A 7 -2.747 0.246 -6.260 1.00 0.42 H new ATOM 0 H22 DG A 7 -0.989 0.158 -6.416 1.00 0.42 H new ATOM 224 P DG A 8 -8.657 -1.514 -1.588 1.00 0.64 P ATOM 225 OP1 DG A 8 -10.017 -1.295 -2.140 1.00 0.75 O ATOM 226 OP2 DG A 8 -8.547 -2.137 -0.247 1.00 0.79 O ATOM 227 O5' DG A 8 -7.806 -2.363 -2.626 1.00 0.59 O ATOM 228 C5' DG A 8 -8.048 -2.281 -4.023 1.00 0.56 C ATOM 229 C4' DG A 8 -7.134 -3.217 -4.776 1.00 0.57 C ATOM 230 O4' DG A 8 -5.809 -2.661 -4.851 1.00 0.62 O ATOM 231 C3' DG A 8 -6.907 -4.565 -4.115 1.00 0.62 C ATOM 232 O3' DG A 8 -7.981 -5.464 -4.422 1.00 0.65 O ATOM 233 C2' DG A 8 -5.599 -5.027 -4.757 1.00 0.78 C ATOM 234 C1' DG A 8 -4.884 -3.708 -5.107 1.00 0.67 C ATOM 235 N9 DG A 8 -3.656 -3.454 -4.328 1.00 0.61 N ATOM 236 C8 DG A 8 -3.548 -3.288 -2.963 1.00 0.63 C ATOM 237 N7 DG A 8 -2.320 -3.116 -2.563 1.00 0.61 N ATOM 238 C5 DG A 8 -1.566 -3.164 -3.720 1.00 0.55 C ATOM 239 C6 DG A 8 -0.159 -3.038 -3.899 1.00 0.53 C ATOM 240 O6 DG A 8 0.704 -2.872 -3.030 1.00 0.55 O ATOM 241 N1 DG A 8 0.207 -3.140 -5.244 1.00 0.50 N ATOM 242 C2 DG A 8 -0.681 -3.339 -6.286 1.00 0.54 C ATOM 243 N2 DG A 8 -0.151 -3.396 -7.519 1.00 0.58 N ATOM 244 N3 DG A 8 -2.001 -3.465 -6.127 1.00 0.58 N ATOM 245 C4 DG A 8 -2.373 -3.366 -4.825 1.00 0.56 C ATOM 0 H5' DG A 8 -7.892 -1.258 -4.365 1.00 0.56 H new ATOM 0 H5'' DG A 8 -9.088 -2.532 -4.233 1.00 0.56 H new ATOM 0 H4' DG A 8 -7.639 -3.346 -5.734 1.00 0.57 H new ATOM 0 H3' DG A 8 -6.863 -4.523 -3.027 1.00 0.62 H new ATOM 0 H2' DG A 8 -5.008 -5.634 -4.071 1.00 0.78 H new ATOM 0 H2'' DG A 8 -5.780 -5.633 -5.645 1.00 0.78 H new ATOM 0 H1' DG A 8 -4.568 -3.767 -6.149 1.00 0.67 H new ATOM 0 H8 DG A 8 -4.395 -3.299 -2.294 1.00 0.63 H new ATOM 0 H1 DG A 8 1.198 -3.062 -5.473 1.00 0.50 H new ATOM 0 H21 DG A 8 -0.755 -3.541 -8.328 1.00 0.58 H new ATOM 0 H22 DG A 8 0.856 -3.294 -7.646 1.00 0.58 H new ATOM 257 P DC A 9 -8.643 -6.352 -3.259 1.00 0.85 P ATOM 258 OP1 DC A 9 -7.683 -6.479 -2.130 1.00 1.22 O ATOM 259 OP2 DC A 9 -9.166 -7.605 -3.858 1.00 1.38 O ATOM 260 O5' DC A 9 -9.876 -5.454 -2.780 1.00 1.02 O ATOM 261 C5' DC A 9 -10.134 -5.227 -1.394 1.00 1.32 C ATOM 262 C4' DC A 9 -11.621 -5.200 -1.117 1.00 0.95 C ATOM 263 O4' DC A 9 -11.831 -5.107 0.316 1.00 0.98 O ATOM 264 C3' DC A 9 -12.369 -4.010 -1.723 1.00 0.77 C ATOM 265 O3' DC A 9 -13.704 -4.386 -2.078 1.00 0.89 O ATOM 266 C2' DC A 9 -12.384 -2.999 -0.589 1.00 0.92 C ATOM 267 C1' DC A 9 -12.478 -3.883 0.648 1.00 0.95 C ATOM 268 N1 DC A 9 -11.821 -3.313 1.840 1.00 1.05 N ATOM 269 C2 DC A 9 -12.613 -2.908 2.932 1.00 1.41 C ATOM 270 O2 DC A 9 -13.845 -3.057 2.869 1.00 1.63 O ATOM 271 N3 DC A 9 -12.012 -2.363 4.027 1.00 1.59 N ATOM 272 C4 DC A 9 -10.676 -2.217 4.057 1.00 1.40 C ATOM 273 N4 DC A 9 -10.130 -1.664 5.142 1.00 1.63 N ATOM 274 C5 DC A 9 -9.846 -2.624 2.964 1.00 1.12 C ATOM 275 C6 DC A 9 -10.455 -3.163 1.888 1.00 0.99 C ATOM 0 H5' DC A 9 -9.686 -4.282 -1.087 1.00 1.32 H new ATOM 0 H5'' DC A 9 -9.664 -6.011 -0.800 1.00 1.32 H new ATOM 0 H4' DC A 9 -12.008 -6.113 -1.570 1.00 0.95 H new ATOM 0 H3' DC A 9 -11.907 -3.629 -2.634 1.00 0.77 H new ATOM 0 H2' DC A 9 -11.483 -2.386 -0.581 1.00 0.92 H new ATOM 0 H2'' DC A 9 -13.232 -2.318 -0.665 1.00 0.92 H new ATOM 0 H1' DC A 9 -13.530 -4.000 0.908 1.00 0.95 H new ATOM 0 H41 DC A 9 -9.119 -1.539 5.197 1.00 1.63 H new ATOM 0 H42 DC A 9 -10.724 -1.367 5.916 1.00 1.63 H new ATOM 0 H5 DC A 9 -8.773 -2.504 3.000 1.00 1.12 H new ATOM 0 H6 DC A 9 -9.858 -3.483 1.047 1.00 0.99 H new ATOM 287 P DG A 10 -14.123 -4.457 -3.624 1.00 0.97 P ATOM 288 OP1 DG A 10 -15.504 -4.995 -3.725 1.00 1.36 O ATOM 289 OP2 DG A 10 -13.054 -5.160 -4.377 1.00 1.69 O ATOM 290 O5' DG A 10 -14.136 -2.919 -4.049 1.00 0.64 O ATOM 291 C5' DG A 10 -14.706 -2.497 -5.285 1.00 0.76 C ATOM 292 C4' DG A 10 -14.159 -1.150 -5.713 1.00 0.77 C ATOM 293 O4' DG A 10 -14.585 -0.133 -4.769 1.00 0.74 O ATOM 294 C3' DG A 10 -12.632 -1.054 -5.757 1.00 0.70 C ATOM 295 O3' DG A 10 -12.225 -0.160 -6.798 1.00 0.89 O ATOM 296 C2' DG A 10 -12.290 -0.481 -4.392 1.00 0.49 C ATOM 297 C1' DG A 10 -13.457 0.457 -4.134 1.00 0.59 C ATOM 298 N9 DG A 10 -13.775 0.654 -2.710 1.00 0.70 N ATOM 299 C8 DG A 10 -14.538 -0.167 -1.912 1.00 0.79 C ATOM 300 N7 DG A 10 -14.648 0.264 -0.686 1.00 1.07 N ATOM 301 C5 DG A 10 -13.915 1.441 -0.665 1.00 1.16 C ATOM 302 C6 DG A 10 -13.671 2.361 0.402 1.00 1.49 C ATOM 303 O6 DG A 10 -14.070 2.305 1.572 1.00 1.77 O ATOM 304 N1 DG A 10 -12.871 3.431 -0.006 1.00 1.53 N ATOM 305 C2 DG A 10 -12.369 3.598 -1.281 1.00 1.30 C ATOM 306 N2 DG A 10 -11.620 4.696 -1.474 1.00 1.41 N ATOM 307 N3 DG A 10 -12.588 2.749 -2.287 1.00 1.01 N ATOM 308 C4 DG A 10 -13.366 1.698 -1.911 1.00 0.94 C ATOM 0 H5' DG A 10 -15.790 -2.437 -5.186 1.00 0.76 H new ATOM 0 H5'' DG A 10 -14.497 -3.238 -6.056 1.00 0.76 H new ATOM 0 H4' DG A 10 -14.543 -1.010 -6.724 1.00 0.77 H new ATOM 0 H3' DG A 10 -12.138 -2.004 -5.959 1.00 0.70 H new ATOM 0 H2' DG A 10 -12.217 -1.258 -3.631 1.00 0.49 H new ATOM 0 H2'' DG A 10 -11.337 0.048 -4.400 1.00 0.49 H new ATOM 0 H1' DG A 10 -13.193 1.442 -4.519 1.00 0.59 H new ATOM 0 H8 DG A 10 -15.000 -1.077 -2.265 1.00 0.79 H new ATOM 0 H1 DG A 10 -12.641 4.141 0.689 1.00 1.53 H new ATOM 0 H21 DG A 10 -11.217 4.883 -2.392 1.00 1.41 H new ATOM 0 H22 DG A 10 -11.455 5.343 -0.703 1.00 1.41 H new ATOM 320 P DC A 11 -10.765 -0.310 -7.440 1.00 1.45 P ATOM 321 OP1 DC A 11 -10.831 -1.268 -8.573 1.00 1.86 O ATOM 322 OP2 DC A 11 -9.794 -0.597 -6.357 1.00 1.84 O ATOM 323 O5' DC A 11 -10.487 1.151 -8.017 1.00 1.86 O ATOM 324 C5' DC A 11 -10.845 2.324 -7.290 1.00 1.48 C ATOM 325 C4' DC A 11 -11.064 3.486 -8.233 1.00 1.52 C ATOM 326 O4' DC A 11 -12.311 3.285 -8.948 1.00 1.66 O ATOM 327 C3' DC A 11 -11.204 4.854 -7.560 1.00 1.21 C ATOM 328 O3' DC A 11 -10.766 5.887 -8.453 1.00 1.57 O ATOM 329 C2' DC A 11 -12.701 4.938 -7.316 1.00 1.27 C ATOM 330 C1' DC A 11 -13.265 4.266 -8.560 1.00 1.73 C ATOM 331 N1 DC A 11 -14.567 3.600 -8.364 1.00 1.88 N ATOM 332 C2 DC A 11 -15.674 4.037 -9.116 1.00 2.44 C ATOM 333 O2 DC A 11 -15.523 4.969 -9.923 1.00 2.74 O ATOM 334 N3 DC A 11 -16.880 3.428 -8.943 1.00 2.68 N ATOM 335 C4 DC A 11 -17.007 2.423 -8.061 1.00 2.38 C ATOM 336 N4 DC A 11 -18.207 1.857 -7.925 1.00 2.70 N ATOM 337 C5 DC A 11 -15.898 1.957 -7.283 1.00 1.81 C ATOM 338 C6 DC A 11 -14.709 2.567 -7.463 1.00 1.59 C ATOM 0 H5' DC A 11 -10.059 2.571 -6.576 1.00 1.48 H new ATOM 0 H5'' DC A 11 -11.752 2.139 -6.714 1.00 1.48 H new ATOM 0 H4' DC A 11 -10.174 3.501 -8.863 1.00 1.52 H new ATOM 0 H3' DC A 11 -10.612 4.973 -6.653 1.00 1.21 H new ATOM 0 H2' DC A 11 -12.995 4.419 -6.404 1.00 1.27 H new ATOM 0 H2'' DC A 11 -13.041 5.969 -7.220 1.00 1.27 H new ATOM 0 H1' DC A 11 -13.440 5.039 -9.308 1.00 1.73 H new ATOM 0 H41 DC A 11 -18.338 1.091 -7.264 1.00 2.70 H new ATOM 0 H42 DC A 11 -18.994 2.190 -8.482 1.00 2.70 H new ATOM 0 H5 DC A 11 -16.010 1.147 -6.578 1.00 1.81 H new ATOM 0 H6 DC A 11 -13.853 2.240 -6.891 1.00 1.59 H new ATOM 350 P DT A 12 -10.533 7.380 -7.910 1.00 1.58 P ATOM 351 OP1 DT A 12 -11.849 8.048 -7.742 1.00 2.00 O ATOM 352 OP2 DT A 12 -9.536 8.047 -8.784 1.00 1.73 O ATOM 353 O5' DT A 12 -9.881 7.142 -6.474 1.00 1.16 O ATOM 354 C5' DT A 12 -10.548 7.535 -5.277 1.00 1.31 C ATOM 355 C4' DT A 12 -9.900 6.893 -4.070 1.00 1.13 C ATOM 356 O4' DT A 12 -9.981 5.464 -4.195 1.00 0.80 O ATOM 357 C3' DT A 12 -8.409 7.181 -3.913 1.00 1.08 C ATOM 358 O3' DT A 12 -8.202 8.323 -3.064 1.00 1.46 O ATOM 359 C2' DT A 12 -7.855 5.921 -3.242 1.00 0.84 C ATOM 360 C1' DT A 12 -8.943 4.865 -3.443 1.00 0.72 C ATOM 361 N1 DT A 12 -8.487 3.656 -4.150 1.00 0.55 N ATOM 362 C2 DT A 12 -8.502 2.462 -3.455 1.00 0.90 C ATOM 363 O2 DT A 12 -8.913 2.371 -2.310 1.00 1.15 O ATOM 364 N3 DT A 12 -8.029 1.374 -4.154 1.00 1.15 N ATOM 365 C4 DT A 12 -7.561 1.365 -5.460 1.00 1.21 C ATOM 366 O4 DT A 12 -7.159 0.316 -5.958 1.00 1.63 O ATOM 367 C5 DT A 12 -7.585 2.652 -6.138 1.00 0.91 C ATOM 368 C7 DT A 12 -7.113 2.734 -7.556 1.00 1.25 C ATOM 369 C6 DT A 12 -8.041 3.725 -5.461 1.00 0.53 C ATOM 0 H5' DT A 12 -11.598 7.248 -5.328 1.00 1.31 H new ATOM 0 H5'' DT A 12 -10.519 8.620 -5.178 1.00 1.31 H new ATOM 0 H4' DT A 12 -10.436 7.309 -3.217 1.00 1.13 H new ATOM 0 H3' DT A 12 -7.925 7.404 -4.864 1.00 1.08 H new ATOM 0 H2' DT A 12 -6.914 5.611 -3.696 1.00 0.84 H new ATOM 0 H2'' DT A 12 -7.658 6.090 -2.183 1.00 0.84 H new ATOM 0 H1' DT A 12 -9.265 4.536 -2.455 1.00 0.72 H new ATOM 0 H3 DT A 12 -8.022 0.482 -3.660 1.00 1.15 H new ATOM 0 H71 DT A 12 -6.349 1.976 -7.729 1.00 1.25 H new ATOM 0 H72 DT A 12 -7.953 2.563 -8.229 1.00 1.25 H new ATOM 0 H73 DT A 12 -6.693 3.722 -7.743 1.00 1.25 H new ATOM 0 H6 DT A 12 -8.060 4.681 -5.962 1.00 0.53 H new ATOM 382 P DA A 13 -7.425 9.622 -3.612 1.00 1.67 P ATOM 383 OP1 DA A 13 -7.912 10.816 -2.876 1.00 2.26 O ATOM 384 OP2 DA A 13 -7.522 9.651 -5.094 1.00 1.81 O ATOM 385 O5' DA A 13 -5.903 9.347 -3.187 1.00 1.24 O ATOM 386 C5' DA A 13 -5.226 8.155 -3.575 1.00 1.04 C ATOM 387 C4' DA A 13 -4.626 8.292 -4.954 1.00 0.83 C ATOM 388 O4' DA A 13 -3.216 8.628 -4.821 1.00 0.78 O ATOM 389 C3' DA A 13 -4.656 7.006 -5.784 1.00 0.67 C ATOM 390 O3' DA A 13 -4.755 7.326 -7.178 1.00 0.64 O ATOM 391 C2' DA A 13 -3.311 6.376 -5.480 1.00 0.66 C ATOM 392 C1' DA A 13 -2.411 7.590 -5.369 1.00 0.69 C ATOM 393 N9 DA A 13 -1.237 7.396 -4.500 1.00 0.73 N ATOM 394 C8 DA A 13 -1.202 7.320 -3.128 1.00 0.87 C ATOM 395 N7 DA A 13 0.003 7.145 -2.637 1.00 0.90 N ATOM 396 C5 DA A 13 0.821 7.102 -3.760 1.00 0.78 C ATOM 397 C6 DA A 13 2.220 6.938 -3.923 1.00 0.79 C ATOM 398 N6 DA A 13 3.081 6.814 -2.906 1.00 0.90 N ATOM 399 N1 DA A 13 2.715 6.941 -5.188 1.00 0.72 N ATOM 400 C2 DA A 13 1.857 7.098 -6.214 1.00 0.63 C ATOM 401 N3 DA A 13 0.528 7.262 -6.188 1.00 0.60 N ATOM 402 C4 DA A 13 0.066 7.254 -4.917 1.00 0.68 C ATOM 0 H5' DA A 13 -5.923 7.317 -3.560 1.00 1.04 H new ATOM 0 H5'' DA A 13 -4.440 7.929 -2.854 1.00 1.04 H new ATOM 0 H4' DA A 13 -5.225 9.052 -5.456 1.00 0.83 H new ATOM 0 H3' DA A 13 -5.499 6.354 -5.553 1.00 0.67 H new ATOM 0 H2' DA A 13 -3.331 5.797 -4.556 1.00 0.66 H new ATOM 0 H2'' DA A 13 -2.989 5.700 -6.272 1.00 0.66 H new ATOM 0 H1' DA A 13 -2.013 7.813 -6.359 1.00 0.69 H new ATOM 0 H8 DA A 13 -2.085 7.397 -2.511 1.00 0.87 H new ATOM 0 H61 DA A 13 4.077 6.699 -3.092 1.00 0.90 H new ATOM 0 H62 DA A 13 2.741 6.835 -1.945 1.00 0.90 H new ATOM 0 H2 DA A 13 2.304 7.091 -7.197 1.00 0.63 H new ATOM 414 P DG A 14 -5.915 6.683 -8.079 1.00 0.60 P ATOM 415 OP1 DG A 14 -6.262 7.637 -9.164 1.00 0.71 O ATOM 416 OP2 DG A 14 -7.015 6.225 -7.200 1.00 0.72 O ATOM 417 O5' DG A 14 -5.189 5.413 -8.720 1.00 0.45 O ATOM 418 C5' DG A 14 -4.668 5.464 -10.045 1.00 0.52 C ATOM 419 C4' DG A 14 -3.543 4.467 -10.251 1.00 0.39 C ATOM 420 O4' DG A 14 -2.568 4.573 -9.175 1.00 0.38 O ATOM 421 C3' DG A 14 -3.959 2.978 -10.276 1.00 0.38 C ATOM 422 O3' DG A 14 -3.269 2.330 -11.346 1.00 0.50 O ATOM 423 C2' DG A 14 -3.458 2.467 -8.931 1.00 0.51 C ATOM 424 C1' DG A 14 -2.196 3.270 -8.787 1.00 0.37 C ATOM 425 N9 DG A 14 -1.619 3.320 -7.441 1.00 0.38 N ATOM 426 C8 DG A 14 -2.279 3.309 -6.236 1.00 0.46 C ATOM 427 N7 DG A 14 -1.469 3.357 -5.210 1.00 0.49 N ATOM 428 C5 DG A 14 -0.203 3.398 -5.772 1.00 0.45 C ATOM 429 C6 DG A 14 1.084 3.454 -5.158 1.00 0.49 C ATOM 430 O6 DG A 14 1.352 3.480 -3.954 1.00 0.57 O ATOM 431 N1 DG A 14 2.113 3.476 -6.108 1.00 0.46 N ATOM 432 C2 DG A 14 1.915 3.452 -7.480 1.00 0.40 C ATOM 433 N2 DG A 14 3.006 3.466 -8.256 1.00 0.42 N ATOM 434 N3 DG A 14 0.720 3.403 -8.053 1.00 0.35 N ATOM 435 C4 DG A 14 -0.285 3.378 -7.150 1.00 0.37 C ATOM 0 H5' DG A 14 -4.304 6.470 -10.253 1.00 0.52 H new ATOM 0 H5'' DG A 14 -5.468 5.261 -10.757 1.00 0.52 H new ATOM 0 H4' DG A 14 -3.153 4.734 -11.233 1.00 0.39 H new ATOM 0 H3' DG A 14 -5.025 2.806 -10.424 1.00 0.38 H new ATOM 0 H2' DG A 14 -4.166 2.659 -8.125 1.00 0.51 H new ATOM 0 H2'' DG A 14 -3.268 1.394 -8.940 1.00 0.51 H new ATOM 0 H1' DG A 14 -1.416 2.804 -9.389 1.00 0.37 H new ATOM 0 H8 DG A 14 -3.354 3.265 -6.145 1.00 0.46 H new ATOM 0 H1 DG A 14 3.074 3.512 -5.767 1.00 0.46 H new ATOM 0 H21 DG A 14 2.910 3.449 -9.271 1.00 0.42 H new ATOM 0 H22 DG A 14 3.933 3.493 -7.832 1.00 0.42 H new ATOM 447 P DG A 15 -3.654 0.846 -11.804 1.00 0.53 P ATOM 448 OP1 DG A 15 -4.640 0.927 -12.912 1.00 0.75 O ATOM 449 OP2 DG A 15 -4.019 0.029 -10.620 1.00 0.70 O ATOM 450 O5' DG A 15 -2.261 0.325 -12.388 1.00 0.54 O ATOM 451 C5' DG A 15 -1.601 1.021 -13.445 1.00 0.56 C ATOM 452 C4' DG A 15 -0.093 0.917 -13.333 1.00 0.46 C ATOM 453 O4' DG A 15 0.330 1.219 -11.970 1.00 0.43 O ATOM 454 C3' DG A 15 0.482 -0.467 -13.658 1.00 0.42 C ATOM 455 O3' DG A 15 1.686 -0.316 -14.433 1.00 0.44 O ATOM 456 C2' DG A 15 0.789 -1.040 -12.273 1.00 0.36 C ATOM 457 C1' DG A 15 1.240 0.230 -11.522 1.00 0.34 C ATOM 458 N9 DG A 15 1.162 0.162 -10.045 1.00 0.31 N ATOM 459 C8 DG A 15 0.027 0.077 -9.268 1.00 0.36 C ATOM 460 N7 DG A 15 0.277 0.056 -7.991 1.00 0.38 N ATOM 461 C5 DG A 15 1.651 0.131 -7.902 1.00 0.34 C ATOM 462 C6 DG A 15 2.493 0.147 -6.752 1.00 0.37 C ATOM 463 O6 DG A 15 2.155 0.103 -5.567 1.00 0.42 O ATOM 464 N1 DG A 15 3.842 0.230 -7.098 1.00 0.36 N ATOM 465 C2 DG A 15 4.313 0.291 -8.401 1.00 0.36 C ATOM 466 N2 DG A 15 5.641 0.354 -8.547 1.00 0.46 N ATOM 467 N3 DG A 15 3.532 0.280 -9.480 1.00 0.33 N ATOM 468 C4 DG A 15 2.220 0.197 -9.161 1.00 0.30 C ATOM 0 H5' DG A 15 -1.895 2.070 -13.428 1.00 0.56 H new ATOM 0 H5'' DG A 15 -1.923 0.615 -14.404 1.00 0.56 H new ATOM 0 H4' DG A 15 0.281 1.628 -14.069 1.00 0.46 H new ATOM 0 H3' DG A 15 -0.184 -1.104 -14.240 1.00 0.42 H new ATOM 0 H2' DG A 15 -0.086 -1.501 -11.815 1.00 0.36 H new ATOM 0 H2'' DG A 15 1.570 -1.799 -12.305 1.00 0.36 H new ATOM 0 H1' DG A 15 2.294 0.413 -11.730 1.00 0.34 H new ATOM 0 H8 DG A 15 -0.971 0.032 -9.678 1.00 0.36 H new ATOM 0 H1 DG A 15 4.527 0.247 -6.343 1.00 0.36 H new ATOM 0 H21 DG A 15 6.050 0.401 -9.480 1.00 0.46 H new ATOM 0 H22 DG A 15 6.245 0.355 -7.725 1.00 0.46 H new ATOM 480 P DG A 16 2.472 -1.604 -14.993 1.00 0.45 P ATOM 481 OP1 DG A 16 3.213 -1.222 -16.222 1.00 0.56 O ATOM 482 OP2 DG A 16 1.524 -2.744 -15.088 1.00 0.58 O ATOM 483 O5' DG A 16 3.519 -1.892 -13.828 1.00 0.44 O ATOM 484 C5' DG A 16 4.391 -0.873 -13.349 1.00 0.39 C ATOM 485 C4' DG A 16 5.536 -1.468 -12.561 1.00 0.37 C ATOM 486 O4' DG A 16 5.202 -1.468 -11.157 1.00 0.45 O ATOM 487 C3' DG A 16 5.903 -2.913 -12.907 1.00 0.49 C ATOM 488 O3' DG A 16 7.335 -3.082 -12.899 1.00 0.71 O ATOM 489 C2' DG A 16 5.272 -3.685 -11.770 1.00 0.55 C ATOM 490 C1' DG A 16 5.495 -2.730 -10.612 1.00 0.46 C ATOM 491 N9 DG A 16 4.645 -2.923 -9.427 1.00 0.46 N ATOM 492 C8 DG A 16 3.269 -2.991 -9.374 1.00 0.46 C ATOM 493 N7 DG A 16 2.807 -3.070 -8.152 1.00 0.49 N ATOM 494 C5 DG A 16 3.941 -3.054 -7.355 1.00 0.48 C ATOM 495 C6 DG A 16 4.075 -3.108 -5.935 1.00 0.52 C ATOM 496 O6 DG A 16 3.177 -3.177 -5.088 1.00 0.59 O ATOM 497 N1 DG A 16 5.418 -3.064 -5.536 1.00 0.52 N ATOM 498 C2 DG A 16 6.492 -2.980 -6.408 1.00 0.52 C ATOM 499 N2 DG A 16 7.718 -2.951 -5.868 1.00 0.56 N ATOM 500 N3 DG A 16 6.371 -2.927 -7.729 1.00 0.50 N ATOM 501 C4 DG A 16 5.081 -2.967 -8.131 1.00 0.47 C ATOM 0 H5' DG A 16 3.834 -0.178 -12.720 1.00 0.39 H new ATOM 0 H5'' DG A 16 4.782 -0.299 -14.189 1.00 0.39 H new ATOM 0 H4' DG A 16 6.389 -0.841 -12.818 1.00 0.37 H new ATOM 0 H3' DG A 16 5.566 -3.230 -13.894 1.00 0.49 H new ATOM 0 H2' DG A 16 4.214 -3.883 -11.943 1.00 0.55 H new ATOM 0 H2'' DG A 16 5.755 -4.649 -11.608 1.00 0.55 H new ATOM 0 H1' DG A 16 6.508 -2.879 -10.237 1.00 0.46 H new ATOM 0 H8 DG A 16 2.638 -2.980 -10.250 1.00 0.46 H new ATOM 0 H1 DG A 16 5.618 -3.096 -4.536 1.00 0.52 H new ATOM 0 H21 DG A 16 8.539 -2.890 -6.470 1.00 0.56 H new ATOM 0 H22 DG A 16 7.830 -2.990 -4.855 1.00 0.56 H new ATOM 513 P DA A 17 8.216 -2.709 -14.197 1.00 1.09 P ATOM 514 OP1 DA A 17 7.596 -3.329 -15.396 1.00 1.29 O ATOM 515 OP2 DA A 17 9.638 -3.034 -13.916 1.00 1.63 O ATOM 516 O5' DA A 17 8.051 -1.124 -14.292 1.00 1.27 O ATOM 517 C5' DA A 17 9.009 -0.225 -13.731 1.00 1.14 C ATOM 518 C4' DA A 17 8.822 1.173 -14.290 1.00 1.11 C ATOM 519 O4' DA A 17 9.083 1.151 -15.726 1.00 1.40 O ATOM 520 C3' DA A 17 7.403 1.747 -14.146 1.00 0.95 C ATOM 521 O3' DA A 17 7.460 3.174 -13.953 1.00 1.07 O ATOM 522 C2' DA A 17 6.778 1.429 -15.492 1.00 1.19 C ATOM 523 C1' DA A 17 7.951 1.647 -16.428 1.00 1.51 C ATOM 524 N9 DA A 17 7.835 0.973 -17.744 1.00 1.88 N ATOM 525 C8 DA A 17 8.045 -0.362 -18.072 1.00 2.03 C ATOM 526 N7 DA A 17 7.838 -0.631 -19.338 1.00 2.44 N ATOM 527 C5 DA A 17 7.472 0.589 -19.890 1.00 2.61 C ATOM 528 C6 DA A 17 7.119 0.974 -21.207 1.00 3.13 C ATOM 529 N6 DA A 17 7.079 0.129 -22.241 1.00 3.48 N ATOM 530 N1 DA A 17 6.804 2.278 -21.426 1.00 3.38 N ATOM 531 C2 DA A 17 6.844 3.131 -20.384 1.00 3.12 C ATOM 532 N3 DA A 17 7.159 2.889 -19.104 1.00 2.59 N ATOM 533 C4 DA A 17 7.466 1.584 -18.920 1.00 2.32 C ATOM 0 H5' DA A 17 10.017 -0.577 -13.949 1.00 1.14 H new ATOM 0 H5'' DA A 17 8.905 -0.205 -12.646 1.00 1.14 H new ATOM 0 H4' DA A 17 9.507 1.795 -13.714 1.00 1.11 H new ATOM 0 H3' DA A 17 6.852 1.339 -13.299 1.00 0.95 H new ATOM 0 H2' DA A 17 6.401 0.407 -15.538 1.00 1.19 H new ATOM 0 H2'' DA A 17 5.941 2.089 -15.722 1.00 1.19 H new ATOM 0 H1' DA A 17 8.013 2.706 -16.678 1.00 1.51 H new ATOM 0 H8 DA A 17 8.350 -1.107 -17.352 1.00 2.03 H new ATOM 0 H61 DA A 17 6.817 0.468 -23.167 1.00 3.48 H new ATOM 0 H62 DA A 17 7.311 -0.855 -22.105 1.00 3.48 H new ATOM 0 H2 DA A 17 6.586 4.154 -20.612 1.00 3.12 H new ATOM 545 P DG A 18 6.773 3.866 -12.671 1.00 0.84 P ATOM 546 OP1 DG A 18 5.645 3.018 -12.204 1.00 0.88 O ATOM 547 OP2 DG A 18 6.477 5.284 -12.996 1.00 1.23 O ATOM 548 O5' DG A 18 7.942 3.813 -11.589 1.00 0.55 O ATOM 549 C5' DG A 18 9.086 4.656 -11.687 1.00 0.48 C ATOM 550 C4' DG A 18 10.075 4.349 -10.577 1.00 0.50 C ATOM 551 O4' DG A 18 9.444 4.616 -9.293 1.00 0.58 O ATOM 552 C3' DG A 18 10.562 2.895 -10.512 1.00 0.51 C ATOM 553 O3' DG A 18 11.939 2.860 -10.091 1.00 0.64 O ATOM 554 C2' DG A 18 9.658 2.271 -9.449 1.00 0.54 C ATOM 555 C1' DG A 18 9.405 3.437 -8.495 1.00 0.58 C ATOM 556 N9 DG A 18 8.098 3.395 -7.793 1.00 0.53 N ATOM 557 C8 DG A 18 6.843 3.307 -8.366 1.00 0.48 C ATOM 558 N7 DG A 18 5.875 3.350 -7.499 1.00 0.45 N ATOM 559 C5 DG A 18 6.504 3.464 -6.277 1.00 0.46 C ATOM 560 C6 DG A 18 5.943 3.547 -4.973 1.00 0.45 C ATOM 561 O6 DG A 18 4.748 3.547 -4.659 1.00 0.43 O ATOM 562 N1 DG A 18 6.930 3.644 -3.989 1.00 0.48 N ATOM 563 C2 DG A 18 8.288 3.658 -4.237 1.00 0.53 C ATOM 564 N2 DG A 18 9.081 3.715 -3.159 1.00 0.56 N ATOM 565 N3 DG A 18 8.827 3.588 -5.460 1.00 0.56 N ATOM 566 C4 DG A 18 7.881 3.492 -6.431 1.00 0.51 C ATOM 0 H5' DG A 18 8.780 5.701 -11.630 1.00 0.48 H new ATOM 0 H5'' DG A 18 9.565 4.517 -12.656 1.00 0.48 H new ATOM 0 H4' DG A 18 10.937 4.980 -10.794 1.00 0.50 H new ATOM 0 H3' DG A 18 10.514 2.374 -11.468 1.00 0.51 H new ATOM 0 H2' DG A 18 8.731 1.891 -9.878 1.00 0.54 H new ATOM 0 H2'' DG A 18 10.143 1.434 -8.946 1.00 0.54 H new ATOM 0 H1' DG A 18 10.162 3.397 -7.712 1.00 0.58 H new ATOM 0 H8 DG A 18 6.682 3.212 -9.430 1.00 0.48 H new ATOM 0 H1 DG A 18 6.625 3.709 -3.018 1.00 0.48 H new ATOM 0 H21 DG A 18 10.095 3.728 -3.272 1.00 0.56 H new ATOM 0 H22 DG A 18 8.671 3.745 -2.225 1.00 0.56 H new ATOM 578 P DG A 19 12.710 1.452 -9.936 1.00 0.77 P ATOM 579 OP1 DG A 19 14.168 1.678 -10.113 1.00 1.01 O ATOM 580 OP2 DG A 19 12.060 0.447 -10.817 1.00 0.84 O ATOM 581 O5' DG A 19 12.427 1.071 -8.412 1.00 0.69 O ATOM 582 C5' DG A 19 12.925 1.879 -7.351 1.00 0.71 C ATOM 583 C4' DG A 19 12.636 1.259 -6.001 1.00 0.67 C ATOM 584 O4' DG A 19 11.241 1.461 -5.655 1.00 0.62 O ATOM 585 C3' DG A 19 12.871 -0.259 -5.907 1.00 0.67 C ATOM 586 O3' DG A 19 13.684 -0.542 -4.753 1.00 0.71 O ATOM 587 C2' DG A 19 11.461 -0.832 -5.739 1.00 0.62 C ATOM 588 C1' DG A 19 10.747 0.296 -5.031 1.00 0.60 C ATOM 589 N9 DG A 19 9.281 0.268 -5.145 1.00 0.56 N ATOM 590 C8 DG A 19 8.537 0.220 -6.297 1.00 0.56 C ATOM 591 N7 DG A 19 7.255 0.216 -6.080 1.00 0.52 N ATOM 592 C5 DG A 19 7.134 0.260 -4.705 1.00 0.48 C ATOM 593 C6 DG A 19 5.968 0.274 -3.889 1.00 0.45 C ATOM 594 O6 DG A 19 4.785 0.253 -4.256 1.00 0.46 O ATOM 595 N1 DG A 19 6.291 0.319 -2.524 1.00 0.43 N ATOM 596 C2 DG A 19 7.584 0.347 -2.024 1.00 0.46 C ATOM 597 N2 DG A 19 7.723 0.380 -0.689 1.00 0.47 N ATOM 598 N3 DG A 19 8.676 0.335 -2.788 1.00 0.50 N ATOM 599 C4 DG A 19 8.379 0.292 -4.108 1.00 0.51 C ATOM 0 H5' DG A 19 12.472 2.869 -7.403 1.00 0.71 H new ATOM 0 H5'' DG A 19 14.000 2.014 -7.468 1.00 0.71 H new ATOM 0 H4' DG A 19 13.336 1.755 -5.329 1.00 0.67 H new ATOM 0 H3' DG A 19 13.387 -0.681 -6.769 1.00 0.67 H new ATOM 0 H2' DG A 19 11.000 -1.069 -6.698 1.00 0.62 H new ATOM 0 H2'' DG A 19 11.461 -1.749 -5.150 1.00 0.62 H new ATOM 0 H1' DG A 19 10.936 0.231 -3.959 1.00 0.60 H new ATOM 0 H8 DG A 19 8.973 0.189 -7.285 1.00 0.56 H new ATOM 0 H1 DG A 19 5.522 0.332 -1.854 1.00 0.43 H new ATOM 0 H21 DG A 19 8.654 0.401 -0.274 1.00 0.47 H new ATOM 0 H22 DG A 19 6.897 0.384 -0.090 1.00 0.47 H new ATOM 611 P DG A 20 14.227 -2.030 -4.460 1.00 0.73 P ATOM 612 OP1 DG A 20 15.709 -1.996 -4.379 1.00 0.86 O ATOM 613 OP2 DG A 20 13.615 -2.974 -5.430 1.00 0.87 O ATOM 614 O5' DG A 20 13.635 -2.316 -3.008 1.00 0.74 O ATOM 615 C5' DG A 20 13.929 -1.451 -1.914 1.00 0.76 C ATOM 616 C4' DG A 20 13.283 -1.948 -0.637 1.00 0.71 C ATOM 617 O4' DG A 20 11.849 -1.714 -0.699 1.00 0.63 O ATOM 618 C3' DG A 20 13.451 -3.449 -0.372 1.00 0.74 C ATOM 619 O3' DG A 20 13.654 -3.690 1.033 1.00 0.85 O ATOM 620 C2' DG A 20 12.126 -4.024 -0.833 1.00 0.62 C ATOM 621 C1' DG A 20 11.153 -2.922 -0.446 1.00 0.53 C ATOM 622 N9 DG A 20 9.907 -2.926 -1.225 1.00 0.48 N ATOM 623 C8 DG A 20 9.787 -2.951 -2.595 1.00 0.54 C ATOM 624 N7 DG A 20 8.549 -2.978 -3.000 1.00 0.55 N ATOM 625 C5 DG A 20 7.801 -2.968 -1.836 1.00 0.47 C ATOM 626 C6 DG A 20 6.389 -2.986 -1.658 1.00 0.47 C ATOM 627 O6 DG A 20 5.515 -3.017 -2.530 1.00 0.54 O ATOM 628 N1 DG A 20 6.036 -2.967 -0.304 1.00 0.43 N ATOM 629 C2 DG A 20 6.940 -2.934 0.743 1.00 0.44 C ATOM 630 N2 DG A 20 6.421 -2.926 1.980 1.00 0.49 N ATOM 631 N3 DG A 20 8.264 -2.917 0.583 1.00 0.45 N ATOM 632 C4 DG A 20 8.623 -2.935 -0.726 1.00 0.44 C ATOM 0 H5' DG A 20 13.575 -0.445 -2.137 1.00 0.76 H new ATOM 0 H5'' DG A 20 15.008 -1.386 -1.778 1.00 0.76 H new ATOM 0 H4' DG A 20 13.786 -1.400 0.160 1.00 0.71 H new ATOM 0 H3' DG A 20 14.309 -3.889 -0.880 1.00 0.74 H new ATOM 0 H2' DG A 20 12.117 -4.219 -1.905 1.00 0.62 H new ATOM 0 H2'' DG A 20 11.895 -4.966 -0.336 1.00 0.62 H new ATOM 0 H1' DG A 20 10.848 -3.057 0.592 1.00 0.53 H new ATOM 0 H8 DG A 20 10.633 -2.949 -3.267 1.00 0.54 H new ATOM 0 H1 DG A 20 5.043 -2.978 -0.073 1.00 0.43 H new ATOM 0 H21 DG A 20 7.038 -2.902 2.792 1.00 0.49 H new ATOM 0 H22 DG A 20 5.409 -2.944 2.109 1.00 0.49 H new ATOM 644 P DT A 21 14.191 -5.119 1.550 1.00 1.09 P ATOM 645 OP1 DT A 21 15.017 -4.913 2.767 1.00 1.32 O ATOM 646 OP2 DT A 21 14.815 -5.841 0.412 1.00 1.15 O ATOM 647 O5' DT A 21 12.843 -5.868 1.963 1.00 1.23 O ATOM 648 C5' DT A 21 12.040 -5.395 3.040 1.00 1.36 C ATOM 649 C4' DT A 21 10.711 -6.120 3.091 1.00 1.45 C ATOM 650 O4' DT A 21 10.013 -5.931 1.844 1.00 1.11 O ATOM 651 C3' DT A 21 10.802 -7.644 3.290 1.00 1.85 C ATOM 652 O3' DT A 21 10.194 -8.025 4.526 1.00 2.29 O ATOM 653 C2' DT A 21 10.035 -8.243 2.107 1.00 1.58 C ATOM 654 C1' DT A 21 9.219 -7.062 1.588 1.00 1.18 C ATOM 655 N1 DT A 21 8.901 -7.095 0.146 1.00 1.28 N ATOM 656 C2 DT A 21 7.614 -6.745 -0.242 1.00 1.38 C ATOM 657 O2 DT A 21 6.742 -6.434 0.553 1.00 1.32 O ATOM 658 N3 DT A 21 7.389 -6.773 -1.602 1.00 1.71 N ATOM 659 C4 DT A 21 8.301 -7.109 -2.590 1.00 1.88 C ATOM 660 O4 DT A 21 7.958 -7.089 -3.770 1.00 2.23 O ATOM 661 C5 DT A 21 9.630 -7.466 -2.118 1.00 1.73 C ATOM 662 C7 DT A 21 10.678 -7.840 -3.118 1.00 1.99 C ATOM 663 C6 DT A 21 9.869 -7.445 -0.792 1.00 1.48 C ATOM 0 H5' DT A 21 11.869 -4.324 2.927 1.00 1.36 H new ATOM 0 H5'' DT A 21 12.570 -5.536 3.982 1.00 1.36 H new ATOM 0 H4' DT A 21 10.203 -5.693 3.956 1.00 1.45 H new ATOM 0 H3' DT A 21 11.834 -7.992 3.328 1.00 1.85 H new ATOM 0 H2' DT A 21 10.710 -8.632 1.345 1.00 1.58 H new ATOM 0 H2'' DT A 21 9.395 -9.069 2.418 1.00 1.58 H new ATOM 0 HO3' DT A 21 10.259 -8.997 4.637 1.00 2.29 H new ATOM 0 H1' DT A 21 8.249 -7.072 2.086 1.00 1.18 H new ATOM 0 H3 DT A 21 6.452 -6.519 -1.914 1.00 1.71 H new ATOM 0 H71 DT A 21 11.661 -7.565 -2.735 1.00 1.99 H new ATOM 0 H72 DT A 21 10.645 -8.915 -3.295 1.00 1.99 H new ATOM 0 H73 DT A 21 10.493 -7.312 -4.054 1.00 1.99 H new ATOM 0 H6 DT A 21 10.855 -7.711 -0.441 1.00 1.48 H new TER 677 DT A 21