USER MOD reduce.3.24.130724 H: found=0, std=0, add=171, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 205 hydrogens (34 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 2 DT C7 :methyl -30:sc= -0.914 (180deg=-2.09) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.0568 (180deg=-0.344) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= -1.2 USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 34.601 3.096 -13.098 1.00 0.00 O ATOM 2 C5' DG A 1 33.544 3.573 -13.935 1.00 0.00 C ATOM 3 C4' DG A 1 32.360 2.603 -13.959 1.00 0.00 C ATOM 4 O4' DG A 1 32.744 1.377 -14.605 1.00 0.00 O ATOM 5 C3' DG A 1 31.823 2.237 -12.574 1.00 0.00 C ATOM 6 O3' DG A 1 30.390 2.151 -12.627 1.00 0.00 O ATOM 7 C2' DG A 1 32.430 0.869 -12.310 1.00 0.00 C ATOM 8 C1' DG A 1 32.534 0.282 -13.708 1.00 0.00 C ATOM 9 N9 DG A 1 33.647 -0.669 -13.884 1.00 0.00 N ATOM 10 C8 DG A 1 34.972 -0.510 -13.570 1.00 0.00 C ATOM 11 N7 DG A 1 35.708 -1.551 -13.839 1.00 0.00 N ATOM 12 C5 DG A 1 34.805 -2.468 -14.372 1.00 0.00 C ATOM 13 C6 DG A 1 35.023 -3.789 -14.849 1.00 0.00 C ATOM 14 O6 DG A 1 36.077 -4.418 -14.893 1.00 0.00 O ATOM 15 N1 DG A 1 33.847 -4.366 -15.302 1.00 0.00 N ATOM 16 C2 DG A 1 32.613 -3.753 -15.296 1.00 0.00 C ATOM 17 N2 DG A 1 31.596 -4.462 -15.769 1.00 0.00 N ATOM 18 N3 DG A 1 32.406 -2.516 -14.849 1.00 0.00 N ATOM 19 C4 DG A 1 33.543 -1.936 -14.403 1.00 0.00 C ATOM 0 H5' DG A 1 33.918 3.715 -14.949 1.00 0.00 H new ATOM 0 H5'' DG A 1 33.209 4.547 -13.579 1.00 0.00 H new ATOM 0 H4' DG A 1 31.571 3.127 -14.499 1.00 0.00 H new ATOM 0 H3' DG A 1 32.072 2.963 -11.800 1.00 0.00 H new ATOM 0 H2' DG A 1 33.404 0.943 -11.827 1.00 0.00 H new ATOM 0 H2'' DG A 1 31.798 0.263 -11.661 1.00 0.00 H new ATOM 0 HO5' DG A 1 35.341 3.739 -13.107 1.00 0.00 H new ATOM 0 H1' DG A 1 31.617 -0.275 -13.899 1.00 0.00 H new ATOM 0 H8 DG A 1 35.370 0.397 -13.138 1.00 0.00 H new ATOM 0 H1 DG A 1 33.899 -5.317 -15.668 1.00 0.00 H new ATOM 0 H21 DG A 1 30.659 -4.059 -15.789 1.00 0.00 H new ATOM 0 H22 DG A 1 31.751 -5.410 -16.113 1.00 0.00 H new ATOM 32 P DT A 2 29.529 1.569 -11.391 1.00 0.00 P ATOM 33 OP1 DT A 2 28.250 2.313 -11.324 1.00 0.00 O ATOM 34 OP2 DT A 2 30.400 1.498 -10.194 1.00 0.00 O ATOM 35 O5' DT A 2 29.207 0.063 -11.866 1.00 0.00 O ATOM 36 C5' DT A 2 28.406 -0.170 -13.031 1.00 0.00 C ATOM 37 C4' DT A 2 27.870 -1.599 -13.084 1.00 0.00 C ATOM 38 O4' DT A 2 28.926 -2.515 -13.409 1.00 0.00 O ATOM 39 C3' DT A 2 27.233 -2.070 -11.778 1.00 0.00 C ATOM 40 O3' DT A 2 26.025 -2.787 -12.067 1.00 0.00 O ATOM 41 C2' DT A 2 28.274 -3.004 -11.176 1.00 0.00 C ATOM 42 C1' DT A 2 29.020 -3.522 -12.395 1.00 0.00 C ATOM 43 N1 DT A 2 30.453 -3.795 -12.157 1.00 0.00 N ATOM 44 C2 DT A 2 30.949 -5.021 -12.561 1.00 0.00 C ATOM 45 O2 DT A 2 30.238 -5.865 -13.102 1.00 0.00 O ATOM 46 N3 DT A 2 32.290 -5.248 -12.311 1.00 0.00 N ATOM 47 C4 DT A 2 33.163 -4.363 -11.697 1.00 0.00 C ATOM 48 O4 DT A 2 34.339 -4.663 -11.517 1.00 0.00 O ATOM 49 C5 DT A 2 32.555 -3.110 -11.310 1.00 0.00 C ATOM 50 C7 DT A 2 33.400 -2.046 -10.617 1.00 0.00 C ATOM 51 C6 DT A 2 31.252 -2.866 -11.547 1.00 0.00 C ATOM 0 H5' DT A 2 29.000 0.027 -13.924 1.00 0.00 H new ATOM 0 H5'' DT A 2 27.571 0.530 -13.042 1.00 0.00 H new ATOM 0 H4' DT A 2 27.096 -1.586 -13.851 1.00 0.00 H new ATOM 0 H3' DT A 2 26.971 -1.252 -11.107 1.00 0.00 H new ATOM 0 H2' DT A 2 28.938 -2.478 -10.490 1.00 0.00 H new ATOM 0 H2'' DT A 2 27.811 -3.814 -10.613 1.00 0.00 H new ATOM 0 H1' DT A 2 28.564 -4.471 -12.677 1.00 0.00 H new ATOM 0 H3 DT A 2 32.671 -6.147 -12.605 1.00 0.00 H new ATOM 0 H71 DT A 2 34.189 -2.527 -10.039 1.00 0.00 H new ATOM 0 H72 DT A 2 33.846 -1.391 -11.366 1.00 0.00 H new ATOM 0 H73 DT A 2 32.769 -1.458 -9.950 1.00 0.00 H new ATOM 0 H6 DT A 2 30.829 -1.918 -11.250 1.00 0.00 H new ATOM 64 P DC A 3 25.251 -3.607 -10.918 1.00 0.00 P ATOM 65 OP1 DC A 3 23.799 -3.519 -11.182 1.00 0.00 O ATOM 66 OP2 DC A 3 25.790 -3.189 -9.600 1.00 0.00 O ATOM 67 O5' DC A 3 25.722 -5.119 -11.201 1.00 0.00 O ATOM 68 C5' DC A 3 25.306 -5.797 -12.392 1.00 0.00 C ATOM 69 C4' DC A 3 25.446 -7.306 -12.248 1.00 0.00 C ATOM 70 O4' DC A 3 26.835 -7.654 -12.218 1.00 0.00 O ATOM 71 C3' DC A 3 24.799 -7.854 -10.979 1.00 0.00 C ATOM 72 O3' DC A 3 24.149 -9.101 -11.261 1.00 0.00 O ATOM 73 C2' DC A 3 25.967 -8.073 -10.031 1.00 0.00 C ATOM 74 C1' DC A 3 27.163 -8.251 -10.959 1.00 0.00 C ATOM 75 N1 DC A 3 28.405 -7.606 -10.473 1.00 0.00 N ATOM 76 C2 DC A 3 29.557 -8.379 -10.410 1.00 0.00 C ATOM 77 O2 DC A 3 29.536 -9.559 -10.754 1.00 0.00 O ATOM 78 N3 DC A 3 30.700 -7.795 -9.963 1.00 0.00 N ATOM 79 C4 DC A 3 30.722 -6.512 -9.594 1.00 0.00 C ATOM 80 N4 DC A 3 31.863 -5.978 -9.161 1.00 0.00 N ATOM 81 C5 DC A 3 29.543 -5.708 -9.656 1.00 0.00 C ATOM 82 C6 DC A 3 28.413 -6.289 -10.100 1.00 0.00 C ATOM 0 H5' DC A 3 25.904 -5.453 -13.236 1.00 0.00 H new ATOM 0 H5'' DC A 3 24.269 -5.545 -12.613 1.00 0.00 H new ATOM 0 H4' DC A 3 24.933 -7.745 -13.104 1.00 0.00 H new ATOM 0 H3' DC A 3 24.044 -7.185 -10.566 1.00 0.00 H new ATOM 0 H2' DC A 3 26.103 -7.223 -9.362 1.00 0.00 H new ATOM 0 H2'' DC A 3 25.814 -8.951 -9.404 1.00 0.00 H new ATOM 0 H1' DC A 3 27.357 -9.322 -11.022 1.00 0.00 H new ATOM 0 H41 DC A 3 31.892 -4.999 -8.876 1.00 0.00 H new ATOM 0 H42 DC A 3 32.707 -6.548 -9.114 1.00 0.00 H new ATOM 0 H5 DC A 3 29.558 -4.670 -9.357 1.00 0.00 H new ATOM 0 H6 DC A 3 27.503 -5.710 -10.163 1.00 0.00 H new ATOM 94 P DG A 4 23.202 -9.807 -10.159 1.00 0.00 P ATOM 95 OP1 DG A 4 21.971 -10.276 -10.834 1.00 0.00 O ATOM 96 OP2 DG A 4 23.105 -8.907 -8.986 1.00 0.00 O ATOM 97 O5' DG A 4 24.069 -11.095 -9.731 1.00 0.00 O ATOM 98 C5' DG A 4 24.348 -12.120 -10.690 1.00 0.00 C ATOM 99 C4' DG A 4 25.425 -13.090 -10.207 1.00 0.00 C ATOM 100 O4' DG A 4 26.628 -12.372 -9.886 1.00 0.00 O ATOM 101 C3' DG A 4 25.043 -13.914 -8.977 1.00 0.00 C ATOM 102 O3' DG A 4 25.530 -15.254 -9.159 1.00 0.00 O ATOM 103 C2' DG A 4 25.781 -13.217 -7.839 1.00 0.00 C ATOM 104 C1' DG A 4 27.010 -12.672 -8.539 1.00 0.00 C ATOM 105 N9 DG A 4 27.566 -11.445 -7.936 1.00 0.00 N ATOM 106 C8 DG A 4 26.922 -10.300 -7.543 1.00 0.00 C ATOM 107 N7 DG A 4 27.716 -9.382 -7.067 1.00 0.00 N ATOM 108 C5 DG A 4 28.977 -9.963 -7.146 1.00 0.00 C ATOM 109 C6 DG A 4 30.242 -9.443 -6.772 1.00 0.00 C ATOM 110 O6 DG A 4 30.499 -8.341 -6.290 1.00 0.00 O ATOM 111 N1 DG A 4 31.259 -10.353 -7.014 1.00 0.00 N ATOM 112 C2 DG A 4 31.080 -11.608 -7.550 1.00 0.00 C ATOM 113 N2 DG A 4 32.173 -12.346 -7.706 1.00 0.00 N ATOM 114 N3 DG A 4 29.894 -12.097 -7.905 1.00 0.00 N ATOM 115 C4 DG A 4 28.892 -11.224 -7.676 1.00 0.00 C ATOM 0 H5' DG A 4 24.669 -11.661 -11.625 1.00 0.00 H new ATOM 0 H5'' DG A 4 23.433 -12.673 -10.903 1.00 0.00 H new ATOM 0 H4' DG A 4 25.562 -13.784 -11.036 1.00 0.00 H new ATOM 0 H3' DG A 4 23.971 -13.978 -8.792 1.00 0.00 H new ATOM 0 H2' DG A 4 25.182 -12.424 -7.391 1.00 0.00 H new ATOM 0 H2'' DG A 4 26.042 -13.910 -7.039 1.00 0.00 H new ATOM 0 H1' DG A 4 27.790 -13.430 -8.461 1.00 0.00 H new ATOM 0 H8 DG A 4 25.853 -10.170 -7.621 1.00 0.00 H new ATOM 0 H1 DG A 4 32.211 -10.072 -6.777 1.00 0.00 H new ATOM 0 H21 DG A 4 32.103 -13.285 -8.098 1.00 0.00 H new ATOM 0 H22 DG A 4 33.083 -11.974 -7.433 1.00 0.00 H new ATOM 127 P DG A 5 25.468 -16.362 -7.988 1.00 0.00 P ATOM 128 OP1 DG A 5 24.977 -17.630 -8.576 1.00 0.00 O ATOM 129 OP2 DG A 5 24.774 -15.775 -6.818 1.00 0.00 O ATOM 130 O5' DG A 5 27.028 -16.548 -7.614 1.00 0.00 O ATOM 131 C5' DG A 5 27.977 -16.891 -8.635 1.00 0.00 C ATOM 132 C4' DG A 5 29.380 -17.134 -8.073 1.00 0.00 C ATOM 133 O4' DG A 5 29.896 -15.922 -7.503 1.00 0.00 O ATOM 134 C3' DG A 5 29.442 -18.212 -6.993 1.00 0.00 C ATOM 135 O3' DG A 5 30.632 -18.997 -7.169 1.00 0.00 O ATOM 136 C2' DG A 5 29.524 -17.420 -5.700 1.00 0.00 C ATOM 137 C1' DG A 5 30.225 -16.139 -6.128 1.00 0.00 C ATOM 138 N9 DG A 5 29.803 -14.943 -5.377 1.00 0.00 N ATOM 139 C8 DG A 5 28.531 -14.503 -5.121 1.00 0.00 C ATOM 140 N7 DG A 5 28.481 -13.391 -4.442 1.00 0.00 N ATOM 141 C5 DG A 5 29.818 -13.070 -4.229 1.00 0.00 C ATOM 142 C6 DG A 5 30.390 -11.963 -3.545 1.00 0.00 C ATOM 143 O6 DG A 5 29.814 -11.020 -3.003 1.00 0.00 O ATOM 144 N1 DG A 5 31.777 -12.021 -3.558 1.00 0.00 N ATOM 145 C2 DG A 5 32.524 -13.011 -4.155 1.00 0.00 C ATOM 146 N2 DG A 5 33.846 -12.893 -4.062 1.00 0.00 N ATOM 147 N3 DG A 5 31.989 -14.050 -4.801 1.00 0.00 N ATOM 148 C4 DG A 5 30.636 -14.015 -4.797 1.00 0.00 C ATOM 0 H5' DG A 5 28.018 -16.089 -9.372 1.00 0.00 H new ATOM 0 H5'' DG A 5 27.638 -17.786 -9.156 1.00 0.00 H new ATOM 0 H4' DG A 5 29.974 -17.476 -8.921 1.00 0.00 H new ATOM 0 H3' DG A 5 28.595 -18.897 -7.015 1.00 0.00 H new ATOM 0 H2' DG A 5 28.536 -17.220 -5.286 1.00 0.00 H new ATOM 0 H2'' DG A 5 30.089 -17.953 -4.935 1.00 0.00 H new ATOM 0 H1' DG A 5 31.291 -16.271 -5.942 1.00 0.00 H new ATOM 0 H8 DG A 5 27.648 -15.030 -5.452 1.00 0.00 H new ATOM 0 H1 DG A 5 32.283 -11.270 -3.088 1.00 0.00 H new ATOM 0 H21 DG A 5 34.452 -13.596 -4.485 1.00 0.00 H new ATOM 0 H22 DG A 5 34.254 -12.099 -3.568 1.00 0.00 H new ATOM 160 P DC A 6 31.027 -20.166 -6.127 1.00 0.00 P ATOM 161 OP1 DC A 6 31.686 -21.253 -6.886 1.00 0.00 O ATOM 162 OP2 DC A 6 29.843 -20.467 -5.291 1.00 0.00 O ATOM 163 O5' DC A 6 32.138 -19.457 -5.195 1.00 0.00 O ATOM 164 C5' DC A 6 33.447 -19.182 -5.714 1.00 0.00 C ATOM 165 C4' DC A 6 34.413 -18.680 -4.635 1.00 0.00 C ATOM 166 O4' DC A 6 33.966 -17.412 -4.136 1.00 0.00 O ATOM 167 C3' DC A 6 34.575 -19.619 -3.438 1.00 0.00 C ATOM 168 O3' DC A 6 35.960 -19.687 -3.063 1.00 0.00 O ATOM 169 C2' DC A 6 33.763 -18.957 -2.334 1.00 0.00 C ATOM 170 C1' DC A 6 33.782 -17.486 -2.718 1.00 0.00 C ATOM 171 N1 DC A 6 32.534 -16.767 -2.390 1.00 0.00 N ATOM 172 C2 DC A 6 32.632 -15.618 -1.617 1.00 0.00 C ATOM 173 O2 DC A 6 33.727 -15.223 -1.221 1.00 0.00 O ATOM 174 N3 DC A 6 31.488 -14.950 -1.310 1.00 0.00 N ATOM 175 C4 DC A 6 30.298 -15.387 -1.741 1.00 0.00 C ATOM 176 N4 DC A 6 29.202 -14.704 -1.424 1.00 0.00 N ATOM 177 C5 DC A 6 30.192 -16.568 -2.535 1.00 0.00 C ATOM 178 C6 DC A 6 31.327 -17.223 -2.836 1.00 0.00 C ATOM 0 H5' DC A 6 33.371 -18.436 -6.505 1.00 0.00 H new ATOM 0 H5'' DC A 6 33.852 -20.087 -6.167 1.00 0.00 H new ATOM 0 H4' DC A 6 35.382 -18.614 -5.129 1.00 0.00 H new ATOM 0 H3' DC A 6 34.245 -20.637 -3.645 1.00 0.00 H new ATOM 0 H2' DC A 6 32.747 -19.349 -2.293 1.00 0.00 H new ATOM 0 H2'' DC A 6 34.208 -19.122 -1.353 1.00 0.00 H new ATOM 0 H1' DC A 6 34.584 -17.014 -2.151 1.00 0.00 H new ATOM 0 H41 DC A 6 28.289 -15.026 -1.746 1.00 0.00 H new ATOM 0 H42 DC A 6 29.274 -13.858 -0.859 1.00 0.00 H new ATOM 0 H5 DC A 6 29.233 -16.923 -2.882 1.00 0.00 H new ATOM 0 H6 DC A 6 31.283 -18.119 -3.437 1.00 0.00 H new ATOM 190 P DT A 7 36.420 -20.359 -1.666 1.00 0.00 P ATOM 191 OP1 DT A 7 37.817 -20.822 -1.813 1.00 0.00 O ATOM 192 OP2 DT A 7 35.371 -21.311 -1.237 1.00 0.00 O ATOM 193 O5' DT A 7 36.410 -19.104 -0.655 1.00 0.00 O ATOM 194 C5' DT A 7 37.166 -17.930 -0.972 1.00 0.00 C ATOM 195 C4' DT A 7 37.382 -17.030 0.247 1.00 0.00 C ATOM 196 O4' DT A 7 36.189 -16.285 0.509 1.00 0.00 O ATOM 197 C3' DT A 7 37.747 -17.782 1.526 1.00 0.00 C ATOM 198 O3' DT A 7 38.734 -17.041 2.258 1.00 0.00 O ATOM 199 C2' DT A 7 36.445 -17.820 2.308 1.00 0.00 C ATOM 200 C1' DT A 7 35.737 -16.556 1.836 1.00 0.00 C ATOM 201 N1 DT A 7 34.267 -16.654 1.786 1.00 0.00 N ATOM 202 C2 DT A 7 33.541 -15.582 2.270 1.00 0.00 C ATOM 203 O2 DT A 7 34.084 -14.579 2.736 1.00 0.00 O ATOM 204 N3 DT A 7 32.165 -15.703 2.200 1.00 0.00 N ATOM 205 C4 DT A 7 31.466 -16.788 1.693 1.00 0.00 C ATOM 206 O4 DT A 7 30.237 -16.797 1.682 1.00 0.00 O ATOM 207 C5 DT A 7 32.310 -17.857 1.211 1.00 0.00 C ATOM 208 C7 DT A 7 31.670 -19.119 0.642 1.00 0.00 C ATOM 209 C6 DT A 7 33.652 -17.761 1.269 1.00 0.00 C ATOM 0 H5' DT A 7 36.649 -17.367 -1.749 1.00 0.00 H new ATOM 0 H5'' DT A 7 38.133 -18.223 -1.380 1.00 0.00 H new ATOM 0 H4' DT A 7 38.225 -16.389 -0.009 1.00 0.00 H new ATOM 0 H3' DT A 7 38.158 -18.773 1.337 1.00 0.00 H new ATOM 0 H2' DT A 7 35.865 -18.716 2.087 1.00 0.00 H new ATOM 0 H2'' DT A 7 36.618 -17.810 3.384 1.00 0.00 H new ATOM 0 H1' DT A 7 35.976 -15.775 2.558 1.00 0.00 H new ATOM 0 H3 DT A 7 31.613 -14.922 2.554 1.00 0.00 H new ATOM 0 H71 DT A 7 30.710 -19.291 1.128 1.00 0.00 H new ATOM 0 H72 DT A 7 31.517 -18.998 -0.430 1.00 0.00 H new ATOM 0 H73 DT A 7 32.325 -19.972 0.821 1.00 0.00 H new ATOM 0 H6 DT A 7 34.256 -18.576 0.899 1.00 0.00 H new ATOM 222 P DG A 8 39.479 -17.700 3.528 1.00 0.00 P ATOM 223 OP1 DG A 8 40.916 -17.352 3.455 1.00 0.00 O ATOM 224 OP2 DG A 8 39.071 -19.121 3.618 1.00 0.00 O ATOM 225 O5' DG A 8 38.831 -16.914 4.777 1.00 0.00 O ATOM 226 C5' DG A 8 39.242 -15.577 5.088 1.00 0.00 C ATOM 227 C4' DG A 8 38.611 -15.069 6.386 1.00 0.00 C ATOM 228 O4' DG A 8 37.190 -14.997 6.233 1.00 0.00 O ATOM 229 C3' DG A 8 38.896 -15.948 7.603 1.00 0.00 C ATOM 230 O3' DG A 8 39.094 -15.155 8.779 1.00 0.00 O ATOM 231 C2' DG A 8 37.646 -16.800 7.720 1.00 0.00 C ATOM 232 C1' DG A 8 36.561 -15.895 7.155 1.00 0.00 C ATOM 233 N9 DG A 8 35.505 -16.608 6.417 1.00 0.00 N ATOM 234 C8 DG A 8 35.598 -17.765 5.690 1.00 0.00 C ATOM 235 N7 DG A 8 34.475 -18.133 5.138 1.00 0.00 N ATOM 236 C5 DG A 8 33.572 -17.147 5.529 1.00 0.00 C ATOM 237 C6 DG A 8 32.187 -17.004 5.236 1.00 0.00 C ATOM 238 O6 DG A 8 31.468 -17.736 4.560 1.00 0.00 O ATOM 239 N1 DG A 8 31.660 -15.867 5.829 1.00 0.00 N ATOM 240 C2 DG A 8 32.369 -14.979 6.606 1.00 0.00 C ATOM 241 N2 DG A 8 31.693 -13.943 7.091 1.00 0.00 N ATOM 242 N3 DG A 8 33.664 -15.111 6.882 1.00 0.00 N ATOM 243 C4 DG A 8 34.198 -16.213 6.313 1.00 0.00 C ATOM 0 H5' DG A 8 38.967 -14.914 4.268 1.00 0.00 H new ATOM 0 H5'' DG A 8 40.328 -15.543 5.176 1.00 0.00 H new ATOM 0 H4' DG A 8 39.060 -14.092 6.567 1.00 0.00 H new ATOM 0 H3' DG A 8 39.805 -16.540 7.497 1.00 0.00 H new ATOM 0 H2' DG A 8 37.735 -17.727 7.153 1.00 0.00 H new ATOM 0 H2'' DG A 8 37.442 -17.078 8.754 1.00 0.00 H new ATOM 0 HO3' DG A 8 39.273 -15.742 9.543 1.00 0.00 H new ATOM 0 H1' DG A 8 36.085 -15.400 8.002 1.00 0.00 H new ATOM 0 H8 DG A 8 36.517 -18.322 5.584 1.00 0.00 H new ATOM 0 H1 DG A 8 30.670 -15.673 5.678 1.00 0.00 H new ATOM 0 H21 DG A 8 32.167 -13.253 7.673 1.00 0.00 H new ATOM 0 H22 DG A 8 30.700 -13.838 6.881 1.00 0.00 H new TER 256 DG A 8 ATOM 257 O5' DC B 1 23.286 -14.783 6.539 1.00 0.00 O ATOM 258 C5' DC B 1 23.205 -14.218 7.851 1.00 0.00 C ATOM 259 C4' DC B 1 24.242 -13.112 8.049 1.00 0.00 C ATOM 260 O4' DC B 1 25.558 -13.675 8.002 1.00 0.00 O ATOM 261 C3' DC B 1 24.173 -12.006 7.000 1.00 0.00 C ATOM 262 O3' DC B 1 24.402 -10.735 7.623 1.00 0.00 O ATOM 263 C2' DC B 1 25.308 -12.330 6.039 1.00 0.00 C ATOM 264 C1' DC B 1 26.283 -13.141 6.887 1.00 0.00 C ATOM 265 N1 DC B 1 26.897 -14.279 6.172 1.00 0.00 N ATOM 266 C2 DC B 1 28.282 -14.342 6.118 1.00 0.00 C ATOM 267 O2 DC B 1 28.964 -13.470 6.651 1.00 0.00 O ATOM 268 N3 DC B 1 28.856 -15.389 5.465 1.00 0.00 N ATOM 269 C4 DC B 1 28.105 -16.335 4.888 1.00 0.00 C ATOM 270 N4 DC B 1 28.701 -17.346 4.258 1.00 0.00 N ATOM 271 C5 DC B 1 26.678 -16.275 4.941 1.00 0.00 C ATOM 272 C6 DC B 1 26.120 -15.235 5.590 1.00 0.00 C ATOM 0 H5' DC B 1 23.358 -15.000 8.595 1.00 0.00 H new ATOM 0 H5'' DC B 1 22.206 -13.815 8.014 1.00 0.00 H new ATOM 0 H4' DC B 1 24.019 -12.665 9.018 1.00 0.00 H new ATOM 0 H3' DC B 1 23.205 -11.954 6.501 1.00 0.00 H new ATOM 0 H2' DC B 1 24.954 -12.901 5.180 1.00 0.00 H new ATOM 0 H2'' DC B 1 25.774 -11.424 5.650 1.00 0.00 H new ATOM 0 HO5' DC B 1 22.612 -15.488 6.444 1.00 0.00 H new ATOM 0 H1' DC B 1 27.089 -12.466 7.176 1.00 0.00 H new ATOM 0 H41 DC B 1 28.139 -18.073 3.815 1.00 0.00 H new ATOM 0 H42 DC B 1 29.719 -17.393 4.219 1.00 0.00 H new ATOM 0 H5 DC B 1 26.069 -17.037 4.477 1.00 0.00 H new ATOM 0 H6 DC B 1 25.044 -15.158 5.650 1.00 0.00 H new ATOM 285 P DA B 2 24.140 -9.358 6.820 1.00 0.00 P ATOM 286 OP1 DA B 2 23.583 -8.368 7.770 1.00 0.00 O ATOM 287 OP2 DA B 2 23.407 -9.679 5.575 1.00 0.00 O ATOM 288 O5' DA B 2 25.634 -8.891 6.420 1.00 0.00 O ATOM 289 C5' DA B 2 26.493 -8.303 7.403 1.00 0.00 C ATOM 290 C4' DA B 2 27.888 -8.007 6.858 1.00 0.00 C ATOM 291 O4' DA B 2 28.491 -9.210 6.365 1.00 0.00 O ATOM 292 C3' DA B 2 27.922 -6.977 5.729 1.00 0.00 C ATOM 293 O3' DA B 2 29.025 -6.083 5.953 1.00 0.00 O ATOM 294 C2' DA B 2 28.143 -7.808 4.476 1.00 0.00 C ATOM 295 C1' DA B 2 28.874 -9.032 4.998 1.00 0.00 C ATOM 296 N9 DA B 2 28.534 -10.265 4.279 1.00 0.00 N ATOM 297 C8 DA B 2 27.321 -10.649 3.779 1.00 0.00 C ATOM 298 N7 DA B 2 27.333 -11.819 3.201 1.00 0.00 N ATOM 299 C5 DA B 2 28.657 -12.234 3.328 1.00 0.00 C ATOM 300 C6 DA B 2 29.332 -13.394 2.918 1.00 0.00 C ATOM 301 N6 DA B 2 28.743 -14.396 2.274 1.00 0.00 N ATOM 302 N1 DA B 2 30.639 -13.478 3.203 1.00 0.00 N ATOM 303 C2 DA B 2 31.232 -12.483 3.848 1.00 0.00 C ATOM 304 N3 DA B 2 30.711 -11.347 4.284 1.00 0.00 N ATOM 305 C4 DA B 2 29.396 -11.291 3.983 1.00 0.00 C ATOM 0 H5' DA B 2 26.575 -8.975 8.258 1.00 0.00 H new ATOM 0 H5'' DA B 2 26.045 -7.378 7.766 1.00 0.00 H new ATOM 0 H4' DA B 2 28.436 -7.589 7.702 1.00 0.00 H new ATOM 0 H3' DA B 2 27.019 -6.370 5.658 1.00 0.00 H new ATOM 0 H2' DA B 2 27.200 -8.075 3.998 1.00 0.00 H new ATOM 0 H2'' DA B 2 28.735 -7.271 3.735 1.00 0.00 H new ATOM 0 H1' DA B 2 29.942 -8.859 4.866 1.00 0.00 H new ATOM 0 H8 DA B 2 26.433 -10.039 3.855 1.00 0.00 H new ATOM 0 H61 DA B 2 29.285 -15.215 2.001 1.00 0.00 H new ATOM 0 H62 DA B 2 27.748 -14.346 2.053 1.00 0.00 H new ATOM 0 H2 DA B 2 32.285 -12.618 4.045 1.00 0.00 H new ATOM 317 P DG B 3 29.556 -5.071 4.815 1.00 0.00 P ATOM 318 OP1 DG B 3 30.053 -3.846 5.482 1.00 0.00 O ATOM 319 OP2 DG B 3 28.525 -4.967 3.757 1.00 0.00 O ATOM 320 O5' DG B 3 30.826 -5.863 4.206 1.00 0.00 O ATOM 321 C5' DG B 3 31.954 -6.165 5.041 1.00 0.00 C ATOM 322 C4' DG B 3 33.132 -6.744 4.252 1.00 0.00 C ATOM 323 O4' DG B 3 32.809 -8.052 3.757 1.00 0.00 O ATOM 324 C3' DG B 3 33.577 -5.900 3.068 1.00 0.00 C ATOM 325 O3' DG B 3 35.012 -5.886 3.013 1.00 0.00 O ATOM 326 C2' DG B 3 33.005 -6.633 1.869 1.00 0.00 C ATOM 327 C1' DG B 3 32.981 -8.077 2.337 1.00 0.00 C ATOM 328 N9 DG B 3 31.878 -8.866 1.766 1.00 0.00 N ATOM 329 C8 DG B 3 30.558 -8.523 1.666 1.00 0.00 C ATOM 330 N7 DG B 3 29.815 -9.437 1.110 1.00 0.00 N ATOM 331 C5 DG B 3 30.710 -10.464 0.819 1.00 0.00 C ATOM 332 C6 DG B 3 30.479 -11.723 0.205 1.00 0.00 C ATOM 333 O6 DG B 3 29.419 -12.187 -0.207 1.00 0.00 O ATOM 334 N1 DG B 3 31.649 -12.460 0.097 1.00 0.00 N ATOM 335 C2 DG B 3 32.888 -12.040 0.525 1.00 0.00 C ATOM 336 N2 DG B 3 33.896 -12.885 0.334 1.00 0.00 N ATOM 337 N3 DG B 3 33.110 -10.858 1.104 1.00 0.00 N ATOM 338 C4 DG B 3 31.977 -10.124 1.218 1.00 0.00 C ATOM 0 H5' DG B 3 31.652 -6.876 5.810 1.00 0.00 H new ATOM 0 H5'' DG B 3 32.275 -5.258 5.553 1.00 0.00 H new ATOM 0 H4' DG B 3 33.955 -6.770 4.966 1.00 0.00 H new ATOM 0 H3' DG B 3 33.245 -4.863 3.118 1.00 0.00 H new ATOM 0 H2' DG B 3 32.008 -6.274 1.614 1.00 0.00 H new ATOM 0 H2'' DG B 3 33.627 -6.505 0.983 1.00 0.00 H new ATOM 0 H1' DG B 3 33.910 -8.547 2.015 1.00 0.00 H new ATOM 0 H8 DG B 3 30.167 -7.579 2.016 1.00 0.00 H new ATOM 0 H1 DG B 3 31.587 -13.383 -0.332 1.00 0.00 H new ATOM 0 H21 DG B 3 34.838 -12.630 0.630 1.00 0.00 H new ATOM 0 H22 DG B 3 33.727 -13.788 -0.109 1.00 0.00 H new HETATM 350 P N4S B 4 35.804 -5.177 1.800 1.00 0.00 P HETATM 351 OP1 N4S B 4 36.950 -4.433 2.369 1.00 0.00 O HETATM 352 OP2 N4S B 4 34.821 -4.474 0.940 1.00 0.00 O HETATM 353 C5' N4S B 4 37.400 -7.269 1.545 1.00 0.00 C HETATM 354 O5' N4S B 4 36.381 -6.437 0.977 1.00 0.00 O HETATM 355 C4' N4S B 4 37.868 -8.346 0.566 1.00 0.00 C HETATM 356 O4' N4S B 4 36.745 -9.130 0.137 1.00 0.00 O HETATM 357 C3' N4S B 4 38.538 -7.795 -0.691 1.00 0.00 C HETATM 358 O3' N4S B 4 39.581 -8.695 -1.099 1.00 0.00 O HETATM 359 C2' N4S B 4 37.408 -7.785 -1.707 1.00 0.00 C HETATM 360 C1' N4S B 4 36.581 -8.986 -1.280 1.00 0.00 C HETATM 361 N1 N4S B 4 35.137 -8.849 -1.549 1.00 0.00 N HETATM 362 C2 N4S B 4 34.490 -9.917 -2.151 1.00 0.00 C HETATM 363 O2 N4S B 4 35.110 -10.938 -2.450 1.00 0.00 O HETATM 364 N3 N4S B 4 33.163 -9.803 -2.399 1.00 0.00 N HETATM 365 C4 N4S B 4 32.487 -8.696 -2.078 1.00 0.00 C HETATM 366 N4 N4S B 4 31.188 -8.639 -2.342 1.00 0.00 N HETATM 367 C5 N4S B 4 33.149 -7.588 -1.458 1.00 0.00 C HETATM 368 C6 N4S B 4 34.466 -7.707 -1.212 1.00 0.00 C HETATM 369 CA N4S B 4 30.395 -7.425 -2.000 1.00 0.00 C HETATM 370 CB N4S B 4 29.140 -7.343 -2.883 1.00 0.00 C HETATM 371 CC N4S B 4 29.484 -6.663 -4.221 1.00 0.00 C HETATM 372 CE N4S B 4 28.546 -6.013 -6.391 1.00 0.00 C HETATM 373 CF N4S B 4 27.452 -4.915 -6.417 1.00 0.00 C HETATM 374 CG N4S B 4 28.078 -3.514 -6.595 1.00 0.00 C HETATM 375 CH N4S B 4 26.968 -2.441 -6.634 1.00 0.00 C HETATM 376 CJ N4S B 4 26.534 -0.043 -6.523 1.00 0.00 C HETATM 377 CK N4S B 4 26.558 0.315 -5.020 1.00 0.00 C HETATM 378 CL N4S B 4 25.855 1.666 -4.782 1.00 0.00 C HETATM 379 ND N4S B 4 28.389 -6.889 -5.199 1.00 0.00 N HETATM 380 NI N4S B 4 27.544 -1.086 -6.835 1.00 0.00 N HETATM 381 NM N4S B 4 25.585 1.862 -3.342 1.00 0.00 N ATOM 416 P DC B 5 40.226 -8.624 -2.575 1.00 0.00 P ATOM 417 OP1 DC B 5 41.584 -9.204 -2.515 1.00 0.00 O ATOM 418 OP2 DC B 5 40.036 -7.253 -3.102 1.00 0.00 O ATOM 419 O5' DC B 5 39.287 -9.627 -3.418 1.00 0.00 O ATOM 420 C5' DC B 5 39.333 -11.039 -3.170 1.00 0.00 C ATOM 421 C4' DC B 5 38.877 -11.845 -4.383 1.00 0.00 C ATOM 422 O4' DC B 5 37.464 -11.696 -4.574 1.00 0.00 O ATOM 423 C3' DC B 5 39.572 -11.464 -5.681 1.00 0.00 C ATOM 424 O3' DC B 5 39.930 -12.657 -6.392 1.00 0.00 O ATOM 425 C2' DC B 5 38.521 -10.682 -6.452 1.00 0.00 C ATOM 426 C1' DC B 5 37.205 -11.202 -5.889 1.00 0.00 C ATOM 427 N1 DC B 5 36.134 -10.187 -5.778 1.00 0.00 N ATOM 428 C2 DC B 5 34.914 -10.478 -6.369 1.00 0.00 C ATOM 429 O2 DC B 5 34.757 -11.533 -6.980 1.00 0.00 O ATOM 430 N3 DC B 5 33.906 -9.573 -6.249 1.00 0.00 N ATOM 431 C4 DC B 5 34.083 -8.430 -5.581 1.00 0.00 C ATOM 432 N4 DC B 5 33.070 -7.570 -5.483 1.00 0.00 N ATOM 433 C5 DC B 5 35.334 -8.119 -4.971 1.00 0.00 C ATOM 434 C6 DC B 5 36.331 -9.020 -5.092 1.00 0.00 C ATOM 0 H5' DC B 5 38.699 -11.278 -2.316 1.00 0.00 H new ATOM 0 H5'' DC B 5 40.350 -11.328 -2.904 1.00 0.00 H new ATOM 0 H4' DC B 5 39.146 -12.877 -4.159 1.00 0.00 H new ATOM 0 H3' DC B 5 40.484 -10.887 -5.529 1.00 0.00 H new ATOM 0 H2' DC B 5 38.627 -9.608 -6.298 1.00 0.00 H new ATOM 0 H2'' DC B 5 38.596 -10.859 -7.525 1.00 0.00 H new ATOM 0 H1' DC B 5 36.847 -11.960 -6.585 1.00 0.00 H new ATOM 0 H41 DC B 5 33.192 -6.694 -4.976 1.00 0.00 H new ATOM 0 H42 DC B 5 32.172 -7.788 -5.915 1.00 0.00 H new ATOM 0 H5 DC B 5 35.478 -7.195 -4.431 1.00 0.00 H new ATOM 0 H6 DC B 5 37.293 -8.818 -4.644 1.00 0.00 H new ATOM 446 P DG B 6 40.854 -12.595 -7.713 1.00 0.00 P ATOM 447 OP1 DG B 6 41.859 -13.678 -7.633 1.00 0.00 O ATOM 448 OP2 DG B 6 41.294 -11.195 -7.909 1.00 0.00 O ATOM 449 O5' DG B 6 39.808 -12.960 -8.882 1.00 0.00 O ATOM 450 C5' DG B 6 39.215 -14.261 -8.939 1.00 0.00 C ATOM 451 C4' DG B 6 38.180 -14.371 -10.059 1.00 0.00 C ATOM 452 O4' DG B 6 37.080 -13.482 -9.802 1.00 0.00 O ATOM 453 C3' DG B 6 38.722 -14.042 -11.444 1.00 0.00 C ATOM 454 O3' DG B 6 38.154 -14.949 -12.400 1.00 0.00 O ATOM 455 C2' DG B 6 38.227 -12.624 -11.694 1.00 0.00 C ATOM 456 C1' DG B 6 36.925 -12.588 -10.911 1.00 0.00 C ATOM 457 N9 DG B 6 36.568 -11.257 -10.378 1.00 0.00 N ATOM 458 C8 DG B 6 37.369 -10.339 -9.747 1.00 0.00 C ATOM 459 N7 DG B 6 36.749 -9.248 -9.394 1.00 0.00 N ATOM 460 C5 DG B 6 35.441 -9.455 -9.821 1.00 0.00 C ATOM 461 C6 DG B 6 34.304 -8.610 -9.715 1.00 0.00 C ATOM 462 O6 DG B 6 34.229 -7.489 -9.215 1.00 0.00 O ATOM 463 N1 DG B 6 33.179 -9.198 -10.274 1.00 0.00 N ATOM 464 C2 DG B 6 33.149 -10.442 -10.862 1.00 0.00 C ATOM 465 N2 DG B 6 31.974 -10.839 -11.342 1.00 0.00 N ATOM 466 N3 DG B 6 34.214 -11.237 -10.965 1.00 0.00 N ATOM 467 C4 DG B 6 35.322 -10.682 -10.424 1.00 0.00 C ATOM 0 H5' DG B 6 38.740 -14.485 -7.984 1.00 0.00 H new ATOM 0 H5'' DG B 6 39.994 -15.008 -9.091 1.00 0.00 H new ATOM 0 H4' DG B 6 37.871 -15.416 -10.061 1.00 0.00 H new ATOM 0 H3' DG B 6 39.806 -14.126 -11.523 1.00 0.00 H new ATOM 0 H2' DG B 6 38.936 -11.878 -11.337 1.00 0.00 H new ATOM 0 H2'' DG B 6 38.068 -12.431 -12.755 1.00 0.00 H new ATOM 0 H1' DG B 6 36.125 -12.868 -11.596 1.00 0.00 H new ATOM 0 H8 DG B 6 38.419 -10.505 -9.559 1.00 0.00 H new ATOM 0 H1 DG B 6 32.308 -8.668 -10.247 1.00 0.00 H new ATOM 0 H21 DG B 6 31.888 -11.752 -11.789 1.00 0.00 H new ATOM 0 H22 DG B 6 31.159 -10.231 -11.263 1.00 0.00 H new ATOM 479 P DA B 7 38.518 -14.854 -13.967 1.00 0.00 P ATOM 480 OP1 DA B 7 38.786 -16.225 -14.464 1.00 0.00 O ATOM 481 OP2 DA B 7 39.532 -13.791 -14.153 1.00 0.00 O ATOM 482 O5' DA B 7 37.130 -14.347 -14.613 1.00 0.00 O ATOM 483 C5' DA B 7 35.953 -15.163 -14.545 1.00 0.00 C ATOM 484 C4' DA B 7 34.780 -14.544 -15.303 1.00 0.00 C ATOM 485 O4' DA B 7 34.319 -13.372 -14.620 1.00 0.00 O ATOM 486 C3' DA B 7 35.110 -14.146 -16.740 1.00 0.00 C ATOM 487 O3' DA B 7 34.023 -14.523 -17.595 1.00 0.00 O ATOM 488 C2' DA B 7 35.248 -12.632 -16.686 1.00 0.00 C ATOM 489 C1' DA B 7 34.387 -12.242 -15.496 1.00 0.00 C ATOM 490 N9 DA B 7 34.937 -11.123 -14.721 1.00 0.00 N ATOM 491 C8 DA B 7 36.218 -10.953 -14.275 1.00 0.00 C ATOM 492 N7 DA B 7 36.400 -9.851 -13.599 1.00 0.00 N ATOM 493 C5 DA B 7 35.144 -9.249 -13.603 1.00 0.00 C ATOM 494 C6 DA B 7 34.662 -8.047 -13.054 1.00 0.00 C ATOM 495 N6 DA B 7 35.423 -7.203 -12.362 1.00 0.00 N ATOM 496 N1 DA B 7 33.366 -7.757 -13.248 1.00 0.00 N ATOM 497 C2 DA B 7 32.608 -8.605 -13.938 1.00 0.00 C ATOM 498 N3 DA B 7 32.941 -9.756 -14.498 1.00 0.00 N ATOM 499 C4 DA B 7 34.247 -10.019 -14.287 1.00 0.00 C ATOM 0 H5' DA B 7 35.673 -15.309 -13.502 1.00 0.00 H new ATOM 0 H5'' DA B 7 36.171 -16.148 -14.957 1.00 0.00 H new ATOM 0 H4' DA B 7 34.016 -15.321 -15.340 1.00 0.00 H new ATOM 0 H3' DA B 7 36.009 -14.626 -17.127 1.00 0.00 H new ATOM 0 H2' DA B 7 36.286 -12.328 -16.548 1.00 0.00 H new ATOM 0 H2'' DA B 7 34.898 -12.164 -17.606 1.00 0.00 H new ATOM 0 H1' DA B 7 33.416 -11.934 -15.884 1.00 0.00 H new ATOM 0 H8 DA B 7 37.007 -11.665 -14.465 1.00 0.00 H new ATOM 0 H61 DA B 7 35.021 -6.344 -11.986 1.00 0.00 H new ATOM 0 H62 DA B 7 36.409 -7.415 -12.207 1.00 0.00 H new ATOM 0 H2 DA B 7 31.575 -8.312 -14.058 1.00 0.00 H new ATOM 511 P DC B 8 33.959 -14.053 -19.137 1.00 0.00 P ATOM 512 OP1 DC B 8 33.222 -15.083 -19.905 1.00 0.00 O ATOM 513 OP2 DC B 8 35.318 -13.650 -19.562 1.00 0.00 O ATOM 514 O5' DC B 8 33.039 -12.732 -19.060 1.00 0.00 O ATOM 515 C5' DC B 8 31.682 -12.822 -18.609 1.00 0.00 C ATOM 516 C4' DC B 8 30.993 -11.460 -18.605 1.00 0.00 C ATOM 517 O4' DC B 8 31.655 -10.593 -17.675 1.00 0.00 O ATOM 518 C3' DC B 8 30.987 -10.764 -19.970 1.00 0.00 C ATOM 519 O3' DC B 8 29.672 -10.300 -20.305 1.00 0.00 O ATOM 520 C2' DC B 8 31.953 -9.601 -19.786 1.00 0.00 C ATOM 521 C1' DC B 8 31.862 -9.328 -18.295 1.00 0.00 C ATOM 522 N1 DC B 8 33.080 -8.732 -17.707 1.00 0.00 N ATOM 523 C2 DC B 8 32.938 -7.538 -17.017 1.00 0.00 C ATOM 524 O2 DC B 8 31.834 -7.010 -16.915 1.00 0.00 O ATOM 525 N3 DC B 8 34.047 -6.977 -16.465 1.00 0.00 N ATOM 526 C4 DC B 8 35.246 -7.558 -16.584 1.00 0.00 C ATOM 527 N4 DC B 8 36.308 -6.976 -16.028 1.00 0.00 N ATOM 528 C5 DC B 8 35.400 -8.789 -17.294 1.00 0.00 C ATOM 529 C6 DC B 8 34.296 -9.339 -17.838 1.00 0.00 C ATOM 0 H5' DC B 8 31.661 -13.243 -17.604 1.00 0.00 H new ATOM 0 H5'' DC B 8 31.130 -13.506 -19.253 1.00 0.00 H new ATOM 0 H4' DC B 8 29.957 -11.650 -18.326 1.00 0.00 H new ATOM 0 H3' DC B 8 31.279 -11.427 -20.785 1.00 0.00 H new ATOM 0 H2' DC B 8 32.967 -9.864 -20.089 1.00 0.00 H new ATOM 0 H2'' DC B 8 31.659 -8.733 -20.376 1.00 0.00 H new ATOM 0 HO3' DC B 8 29.694 -9.858 -21.179 1.00 0.00 H new ATOM 0 H1' DC B 8 31.061 -8.607 -18.134 1.00 0.00 H new ATOM 0 H41 DC B 8 37.228 -7.408 -16.111 1.00 0.00 H new ATOM 0 H42 DC B 8 36.201 -6.098 -15.519 1.00 0.00 H new ATOM 0 H5 DC B 8 36.366 -9.262 -17.391 1.00 0.00 H new ATOM 0 H6 DC B 8 34.374 -10.268 -18.383 1.00 0.00 H new TER 542 DC B 8