USER MOD reduce.3.24.130724 H: found=0, std=0, add=102, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 102 hydrogens (8 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 Set 1.1: A 1 DC O5' : rot -83:sc= 1.18 USER MOD Set 1.2: A 9 DG O3' : rot 180:sc= 1.07 USER MOD Single : A 2 DT C7 :methyl 150:sc= -0.101 (180deg=-0.101) USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.0492 (180deg=-0.0492) USER MOD Single : A 7 DT C7 :methyl 150:sc= -1.36 (180deg=-1.36) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.469) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.515 -4.955 12.633 1.00 0.00 O ATOM 2 C5' DC A 1 -8.875 -6.137 12.167 1.00 0.00 C ATOM 3 C4' DC A 1 -7.534 -5.809 11.496 1.00 0.00 C ATOM 4 O4' DC A 1 -6.537 -5.592 12.465 1.00 0.00 O ATOM 5 C3' DC A 1 -6.967 -6.905 10.579 1.00 0.00 C ATOM 6 O3' DC A 1 -7.200 -6.585 9.222 1.00 0.00 O ATOM 7 C2' DC A 1 -5.468 -6.923 10.904 1.00 0.00 C ATOM 8 C1' DC A 1 -5.312 -5.703 11.796 1.00 0.00 C ATOM 9 N1 DC A 1 -4.175 -5.857 12.718 1.00 0.00 N ATOM 10 C2 DC A 1 -2.963 -5.252 12.384 1.00 0.00 C ATOM 11 O2 DC A 1 -2.862 -4.559 11.375 1.00 0.00 O ATOM 12 N3 DC A 1 -1.867 -5.456 13.156 1.00 0.00 N ATOM 13 C4 DC A 1 -1.949 -6.285 14.181 1.00 0.00 C ATOM 14 N4 DC A 1 -0.861 -6.425 14.895 1.00 0.00 N ATOM 15 C5 DC A 1 -3.146 -6.998 14.492 1.00 0.00 C ATOM 16 C6 DC A 1 -4.248 -6.740 13.756 1.00 0.00 C ATOM 0 H5' DC A 1 -9.524 -6.651 11.458 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.711 -6.819 13.001 1.00 0.00 H new ATOM 0 H4' DC A 1 -7.766 -4.930 10.894 1.00 0.00 H new ATOM 0 H3' DC A 1 -7.432 -7.878 10.738 1.00 0.00 H new ATOM 0 H2' DC A 1 -5.174 -7.840 11.415 1.00 0.00 H new ATOM 0 H2'' DC A 1 -4.857 -6.849 10.005 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.151 -4.709 13.509 1.00 0.00 H new ATOM 0 H1' DC A 1 -5.088 -4.798 11.231 1.00 0.00 H new ATOM 0 H41 DC A 1 -0.857 -7.050 15.701 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.017 -5.909 14.646 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.169 -7.723 15.293 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.182 -7.230 13.987 1.00 0.00 H new ATOM 29 P DT A 2 -6.867 -7.630 8.055 1.00 0.00 P ATOM 30 OP1 DT A 2 -7.523 -7.166 6.815 1.00 0.00 O ATOM 31 OP2 DT A 2 -7.268 -8.985 8.487 1.00 0.00 O ATOM 32 O5' DT A 2 -5.270 -7.557 7.886 1.00 0.00 O ATOM 33 C5' DT A 2 -4.628 -8.022 6.718 1.00 0.00 C ATOM 34 C4' DT A 2 -3.197 -7.480 6.573 1.00 0.00 C ATOM 35 O4' DT A 2 -3.239 -6.075 6.396 1.00 0.00 O ATOM 36 C3' DT A 2 -2.309 -7.794 7.781 1.00 0.00 C ATOM 37 O3' DT A 2 -1.185 -8.605 7.414 1.00 0.00 O ATOM 38 C2' DT A 2 -1.973 -6.423 8.383 1.00 0.00 C ATOM 39 C1' DT A 2 -2.290 -5.450 7.243 1.00 0.00 C ATOM 40 N1 DT A 2 -2.879 -4.179 7.734 1.00 0.00 N ATOM 41 C2 DT A 2 -2.083 -3.034 7.732 1.00 0.00 C ATOM 42 O2 DT A 2 -0.878 -3.039 7.503 1.00 0.00 O ATOM 43 N3 DT A 2 -2.690 -1.858 8.102 1.00 0.00 N ATOM 44 C4 DT A 2 -3.974 -1.737 8.596 1.00 0.00 C ATOM 45 O4 DT A 2 -4.359 -0.631 8.961 1.00 0.00 O ATOM 46 C5 DT A 2 -4.738 -2.982 8.625 1.00 0.00 C ATOM 47 C7 DT A 2 -6.175 -2.982 9.116 1.00 0.00 C ATOM 48 C6 DT A 2 -4.177 -4.143 8.193 1.00 0.00 C ATOM 0 H5' DT A 2 -5.213 -7.730 5.846 1.00 0.00 H new ATOM 0 H5'' DT A 2 -4.600 -9.112 6.733 1.00 0.00 H new ATOM 0 H4' DT A 2 -2.761 -7.977 5.706 1.00 0.00 H new ATOM 0 H3' DT A 2 -2.798 -8.410 8.535 1.00 0.00 H new ATOM 0 H2' DT A 2 -2.573 -6.214 9.268 1.00 0.00 H new ATOM 0 H2'' DT A 2 -0.928 -6.362 8.685 1.00 0.00 H new ATOM 0 H1' DT A 2 -1.360 -5.212 6.727 1.00 0.00 H new ATOM 0 H3 DT A 2 -2.146 -1.001 8.003 1.00 0.00 H new ATOM 0 H71 DT A 2 -6.733 -3.769 8.609 1.00 0.00 H new ATOM 0 H72 DT A 2 -6.192 -3.160 10.191 1.00 0.00 H new ATOM 0 H73 DT A 2 -6.633 -2.016 8.901 1.00 0.00 H new ATOM 0 H6 DT A 2 -4.759 -5.052 8.210 1.00 0.00 H new ATOM 61 P DT A 3 0.121 -8.090 6.599 1.00 0.00 P ATOM 62 OP1 DT A 3 -0.200 -6.948 5.728 1.00 0.00 O ATOM 63 OP2 DT A 3 0.886 -9.214 6.016 1.00 0.00 O ATOM 64 O5' DT A 3 1.065 -7.568 7.769 1.00 0.00 O ATOM 65 C5' DT A 3 1.546 -6.239 7.854 1.00 0.00 C ATOM 66 C4' DT A 3 2.467 -6.166 9.066 1.00 0.00 C ATOM 67 O4' DT A 3 1.783 -6.326 10.288 1.00 0.00 O ATOM 68 C3' DT A 3 3.583 -7.240 8.994 1.00 0.00 C ATOM 69 O3' DT A 3 4.908 -6.782 8.766 1.00 0.00 O ATOM 70 C2' DT A 3 3.487 -7.979 10.324 1.00 0.00 C ATOM 71 C1' DT A 3 2.527 -7.149 11.173 1.00 0.00 C ATOM 72 N1 DT A 3 1.564 -8.002 11.919 1.00 0.00 N ATOM 73 C2 DT A 3 1.871 -8.403 13.221 1.00 0.00 C ATOM 74 O2 DT A 3 2.973 -8.252 13.737 1.00 0.00 O ATOM 75 N3 DT A 3 0.859 -9.021 13.930 1.00 0.00 N ATOM 76 C4 DT A 3 -0.430 -9.242 13.478 1.00 0.00 C ATOM 77 O4 DT A 3 -1.249 -9.733 14.250 1.00 0.00 O ATOM 78 C5 DT A 3 -0.660 -8.841 12.091 1.00 0.00 C ATOM 79 C7 DT A 3 -2.024 -8.944 11.442 1.00 0.00 C ATOM 80 C6 DT A 3 0.340 -8.289 11.362 1.00 0.00 C ATOM 0 H5' DT A 3 0.719 -5.537 7.957 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.084 -5.966 6.946 1.00 0.00 H new ATOM 0 H4' DT A 3 2.900 -5.166 9.036 1.00 0.00 H new ATOM 0 H3' DT A 3 3.408 -7.857 8.112 1.00 0.00 H new ATOM 0 H2' DT A 3 3.114 -8.994 10.185 1.00 0.00 H new ATOM 0 H2'' DT A 3 4.464 -8.061 10.800 1.00 0.00 H new ATOM 0 H1' DT A 3 3.107 -6.576 11.897 1.00 0.00 H new ATOM 0 H3 DT A 3 1.082 -9.343 14.872 1.00 0.00 H new ATOM 0 H71 DT A 3 -2.126 -8.166 10.685 1.00 0.00 H new ATOM 0 H72 DT A 3 -2.131 -9.922 10.974 1.00 0.00 H new ATOM 0 H73 DT A 3 -2.798 -8.817 12.199 1.00 0.00 H new ATOM 0 H6 DT A 3 0.172 -8.069 10.318 1.00 0.00 H new ATOM 93 P DG A 4 5.403 -6.290 7.306 1.00 0.00 P ATOM 94 OP1 DG A 4 4.529 -6.904 6.274 1.00 0.00 O ATOM 95 OP2 DG A 4 6.879 -6.417 7.219 1.00 0.00 O ATOM 96 O5' DG A 4 5.111 -4.722 7.398 1.00 0.00 O ATOM 97 C5' DG A 4 5.656 -4.006 8.488 1.00 0.00 C ATOM 98 C4' DG A 4 5.446 -2.499 8.391 1.00 0.00 C ATOM 99 O4' DG A 4 4.106 -2.179 8.732 1.00 0.00 O ATOM 100 C3' DG A 4 6.364 -1.792 9.401 1.00 0.00 C ATOM 101 O3' DG A 4 7.433 -1.059 8.837 1.00 0.00 O ATOM 102 C2' DG A 4 5.415 -0.788 10.007 1.00 0.00 C ATOM 103 C1' DG A 4 4.095 -1.511 9.977 1.00 0.00 C ATOM 104 N9 DG A 4 3.895 -2.452 11.104 1.00 0.00 N ATOM 105 C8 DG A 4 4.701 -2.839 12.157 1.00 0.00 C ATOM 106 N7 DG A 4 4.107 -3.644 13.000 1.00 0.00 N ATOM 107 C5 DG A 4 2.796 -3.742 12.517 1.00 0.00 C ATOM 108 C6 DG A 4 1.612 -4.393 13.019 1.00 0.00 C ATOM 109 O6 DG A 4 1.455 -5.108 14.006 1.00 0.00 O ATOM 110 N1 DG A 4 0.494 -4.158 12.239 1.00 0.00 N ATOM 111 C2 DG A 4 0.505 -3.442 11.083 1.00 0.00 C ATOM 112 N2 DG A 4 -0.587 -3.379 10.372 1.00 0.00 N ATOM 113 N3 DG A 4 1.570 -2.834 10.592 1.00 0.00 N ATOM 114 C4 DG A 4 2.678 -3.013 11.358 1.00 0.00 C ATOM 0 H5' DG A 4 6.724 -4.213 8.551 1.00 0.00 H new ATOM 0 H5'' DG A 4 5.206 -4.369 9.412 1.00 0.00 H new ATOM 0 H4' DG A 4 5.668 -2.178 7.373 1.00 0.00 H new ATOM 0 H3' DG A 4 6.837 -2.521 10.059 1.00 0.00 H new ATOM 0 H2' DG A 4 5.705 -0.520 11.023 1.00 0.00 H new ATOM 0 H2'' DG A 4 5.382 0.136 9.430 1.00 0.00 H new ATOM 0 H1' DG A 4 3.264 -0.815 10.089 1.00 0.00 H new ATOM 0 H8 DG A 4 5.723 -2.509 12.273 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.396 -4.547 12.551 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.599 -2.847 9.502 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.429 -3.862 10.686 1.00 0.00 H new HETATM 126 O5' 3DR A 5 9.137 -1.930 10.442 1.00 0.00 O HETATM 127 P 3DR A 5 8.927 -1.619 8.866 1.00 0.00 P HETATM 128 OP1 3DR A 5 9.787 -0.471 8.488 1.00 0.00 O HETATM 129 OP2 3DR A 5 8.948 -2.897 8.106 1.00 0.00 O HETATM 130 C2' 3DR A 5 7.890 1.589 13.556 1.00 0.00 C HETATM 131 C5' 3DR A 5 9.477 -0.931 11.402 1.00 0.00 C HETATM 132 C4' 3DR A 5 8.314 0.004 11.787 1.00 0.00 C HETATM 133 O4' 3DR A 5 7.479 -0.576 12.786 1.00 0.00 O HETATM 134 C1' 3DR A 5 7.662 0.146 13.992 1.00 0.00 C HETATM 135 C3' 3DR A 5 8.814 1.334 12.367 1.00 0.00 C HETATM 136 O3' 3DR A 5 8.920 2.363 11.385 1.00 0.00 O HETATM 0 H5'' 3DR A 5 9.847 -1.421 12.303 1.00 0.00 H new HETATM 0 H4'1 3DR A 5 7.762 0.168 10.862 1.00 0.00 H new HETATM 0 H2'' 3DR A 5 6.967 2.094 13.272 1.00 0.00 H new HETATM 0 H1'2 3DR A 5 8.514 -0.236 14.555 1.00 0.00 H new HETATM 0 H1'1 3DR A 5 6.789 0.062 14.639 1.00 0.00 H new HETATM 0 H5' 3DR A 5 10.296 -0.329 11.008 1.00 0.00 H new HETATM 0 H3' 3DR A 5 9.847 1.308 12.714 1.00 0.00 H new HETATM 0 H2' 3DR A 5 8.359 2.195 14.332 1.00 0.00 H new ATOM 145 P DC A 6 7.717 3.273 10.789 1.00 0.00 P ATOM 146 OP1 DC A 6 8.168 3.541 9.406 1.00 0.00 O ATOM 147 OP2 DC A 6 7.372 4.393 11.702 1.00 0.00 O ATOM 148 O5' DC A 6 6.415 2.356 10.645 1.00 0.00 O ATOM 149 C5' DC A 6 5.403 2.689 9.704 1.00 0.00 C ATOM 150 C4' DC A 6 4.005 2.599 10.324 1.00 0.00 C ATOM 151 O4' DC A 6 3.718 1.360 10.948 1.00 0.00 O ATOM 152 C3' DC A 6 3.796 3.683 11.375 1.00 0.00 C ATOM 153 O3' DC A 6 2.835 4.608 10.897 1.00 0.00 O ATOM 154 C2' DC A 6 3.352 2.914 12.616 1.00 0.00 C ATOM 155 C1' DC A 6 2.834 1.608 12.014 1.00 0.00 C ATOM 156 N1 DC A 6 2.810 0.475 12.980 1.00 0.00 N ATOM 157 C2 DC A 6 1.596 -0.176 13.234 1.00 0.00 C ATOM 158 O2 DC A 6 0.574 0.109 12.612 1.00 0.00 O ATOM 159 N3 DC A 6 1.518 -1.130 14.199 1.00 0.00 N ATOM 160 C4 DC A 6 2.601 -1.421 14.902 1.00 0.00 C ATOM 161 N4 DC A 6 2.481 -2.347 15.820 1.00 0.00 N ATOM 162 C5 DC A 6 3.856 -0.777 14.694 1.00 0.00 C ATOM 163 C6 DC A 6 3.927 0.150 13.706 1.00 0.00 C ATOM 0 H5' DC A 6 5.466 2.017 8.848 1.00 0.00 H new ATOM 0 H5'' DC A 6 5.571 3.699 9.330 1.00 0.00 H new ATOM 0 H4' DC A 6 3.334 2.722 9.474 1.00 0.00 H new ATOM 0 H3' DC A 6 4.679 4.280 11.602 1.00 0.00 H new ATOM 0 H2' DC A 6 4.177 2.745 13.308 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.576 3.444 13.168 1.00 0.00 H new ATOM 0 H1' DC A 6 1.793 1.698 11.702 1.00 0.00 H new ATOM 0 H41 DC A 6 3.286 -2.608 16.389 1.00 0.00 H new ATOM 0 H42 DC A 6 1.582 -2.807 15.966 1.00 0.00 H new ATOM 0 H5 DC A 6 4.717 -1.018 15.300 1.00 0.00 H new ATOM 0 H6 DC A 6 4.868 0.634 13.490 1.00 0.00 H new ATOM 175 P DT A 7 2.550 5.983 11.665 1.00 0.00 P ATOM 176 OP1 DT A 7 2.031 6.935 10.655 1.00 0.00 O ATOM 177 OP2 DT A 7 3.775 6.309 12.441 1.00 0.00 O ATOM 178 O5' DT A 7 1.345 5.516 12.633 1.00 0.00 O ATOM 179 C5' DT A 7 0.110 6.219 12.721 1.00 0.00 C ATOM 180 C4' DT A 7 -1.022 5.358 13.316 1.00 0.00 C ATOM 181 O4' DT A 7 -1.630 4.578 12.310 1.00 0.00 O ATOM 182 C3' DT A 7 -0.597 4.437 14.466 1.00 0.00 C ATOM 183 O3' DT A 7 -1.418 4.555 15.636 1.00 0.00 O ATOM 184 C2' DT A 7 -0.569 3.076 13.766 1.00 0.00 C ATOM 185 C1' DT A 7 -1.683 3.230 12.733 1.00 0.00 C ATOM 186 N1 DT A 7 -1.470 2.411 11.532 1.00 0.00 N ATOM 187 C2 DT A 7 -2.412 1.445 11.180 1.00 0.00 C ATOM 188 O2 DT A 7 -3.338 1.089 11.901 1.00 0.00 O ATOM 189 N3 DT A 7 -2.256 0.867 9.943 1.00 0.00 N ATOM 190 C4 DT A 7 -1.248 1.139 9.041 1.00 0.00 C ATOM 191 O4 DT A 7 -1.237 0.529 7.976 1.00 0.00 O ATOM 192 C5 DT A 7 -0.314 2.177 9.476 1.00 0.00 C ATOM 193 C7 DT A 7 0.771 2.718 8.580 1.00 0.00 C ATOM 194 C6 DT A 7 -0.452 2.760 10.686 1.00 0.00 C ATOM 0 H5' DT A 7 -0.182 6.559 11.727 1.00 0.00 H new ATOM 0 H5'' DT A 7 0.246 7.109 13.336 1.00 0.00 H new ATOM 0 H4' DT A 7 -1.724 6.077 13.738 1.00 0.00 H new ATOM 0 H3' DT A 7 0.365 4.676 14.919 1.00 0.00 H new ATOM 0 H2' DT A 7 0.396 2.876 13.300 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.764 2.257 14.458 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.625 2.925 13.188 1.00 0.00 H new ATOM 0 H3 DT A 7 -2.950 0.172 9.666 1.00 0.00 H new ATOM 0 H71 DT A 7 0.977 3.756 8.843 1.00 0.00 H new ATOM 0 H72 DT A 7 1.677 2.125 8.707 1.00 0.00 H new ATOM 0 H73 DT A 7 0.445 2.665 7.541 1.00 0.00 H new ATOM 0 H6 DT A 7 0.255 3.517 10.993 1.00 0.00 H new ATOM 207 P DT A 8 -2.909 3.949 15.836 1.00 0.00 P ATOM 208 OP1 DT A 8 -3.802 4.258 14.703 1.00 0.00 O ATOM 209 OP2 DT A 8 -3.444 4.293 17.168 1.00 0.00 O ATOM 210 O5' DT A 8 -2.655 2.375 15.864 1.00 0.00 O ATOM 211 C5' DT A 8 -3.585 1.415 15.392 1.00 0.00 C ATOM 212 C4' DT A 8 -3.704 0.310 16.446 1.00 0.00 C ATOM 213 O4' DT A 8 -2.477 -0.396 16.500 1.00 0.00 O ATOM 214 C3' DT A 8 -3.994 0.891 17.843 1.00 0.00 C ATOM 215 O3' DT A 8 -5.183 0.388 18.434 1.00 0.00 O ATOM 216 C2' DT A 8 -2.755 0.552 18.663 1.00 0.00 C ATOM 217 C1' DT A 8 -1.988 -0.471 17.823 1.00 0.00 C ATOM 218 N1 DT A 8 -0.518 -0.221 17.835 1.00 0.00 N ATOM 219 C2 DT A 8 0.275 -1.053 18.633 1.00 0.00 C ATOM 220 O2 DT A 8 -0.181 -1.916 19.375 1.00 0.00 O ATOM 221 N3 DT A 8 1.636 -0.837 18.600 1.00 0.00 N ATOM 222 C4 DT A 8 2.282 0.142 17.873 1.00 0.00 C ATOM 223 O4 DT A 8 3.507 0.198 17.921 1.00 0.00 O ATOM 224 C5 DT A 8 1.393 1.025 17.119 1.00 0.00 C ATOM 225 C7 DT A 8 1.975 2.190 16.335 1.00 0.00 C ATOM 226 C6 DT A 8 0.046 0.826 17.128 1.00 0.00 C ATOM 0 H5' DT A 8 -3.253 0.999 14.441 1.00 0.00 H new ATOM 0 H5'' DT A 8 -4.555 1.879 15.216 1.00 0.00 H new ATOM 0 H4' DT A 8 -4.529 -0.345 16.166 1.00 0.00 H new ATOM 0 H3' DT A 8 -4.178 1.964 17.790 1.00 0.00 H new ATOM 0 H2' DT A 8 -2.151 1.440 18.850 1.00 0.00 H new ATOM 0 H2'' DT A 8 -3.026 0.140 19.635 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.142 -1.463 18.246 1.00 0.00 H new ATOM 0 H3 DT A 8 2.218 -1.457 19.164 1.00 0.00 H new ATOM 0 H71 DT A 8 2.882 2.542 16.826 1.00 0.00 H new ATOM 0 H72 DT A 8 2.213 1.864 15.322 1.00 0.00 H new ATOM 0 H73 DT A 8 1.247 3.000 16.294 1.00 0.00 H new ATOM 0 H6 DT A 8 -0.593 1.497 16.574 1.00 0.00 H new ATOM 239 P DG A 9 -6.636 0.855 17.892 1.00 0.00 P ATOM 240 OP1 DG A 9 -6.494 2.204 17.290 1.00 0.00 O ATOM 241 OP2 DG A 9 -7.519 0.650 19.062 1.00 0.00 O ATOM 242 O5' DG A 9 -7.007 -0.206 16.749 1.00 0.00 O ATOM 243 C5' DG A 9 -7.196 -1.582 17.035 1.00 0.00 C ATOM 244 C4' DG A 9 -7.614 -2.307 15.745 1.00 0.00 C ATOM 245 O4' DG A 9 -6.513 -2.409 14.862 1.00 0.00 O ATOM 246 C3' DG A 9 -8.137 -3.742 15.947 1.00 0.00 C ATOM 247 O3' DG A 9 -9.272 -4.011 15.131 1.00 0.00 O ATOM 248 C2' DG A 9 -7.009 -4.658 15.482 1.00 0.00 C ATOM 249 C1' DG A 9 -5.940 -3.699 14.936 1.00 0.00 C ATOM 250 N9 DG A 9 -4.648 -3.676 15.672 1.00 0.00 N ATOM 251 C8 DG A 9 -4.275 -4.299 16.842 1.00 0.00 C ATOM 252 N7 DG A 9 -3.002 -4.232 17.104 1.00 0.00 N ATOM 253 C5 DG A 9 -2.477 -3.509 16.032 1.00 0.00 C ATOM 254 C6 DG A 9 -1.132 -3.115 15.719 1.00 0.00 C ATOM 255 O6 DG A 9 -0.092 -3.337 16.333 1.00 0.00 O ATOM 256 N1 DG A 9 -1.035 -2.363 14.564 1.00 0.00 N ATOM 257 C2 DG A 9 -2.103 -2.003 13.802 1.00 0.00 C ATOM 258 N2 DG A 9 -1.881 -1.121 12.859 1.00 0.00 N ATOM 259 N3 DG A 9 -3.361 -2.385 14.036 1.00 0.00 N ATOM 260 C4 DG A 9 -3.486 -3.136 15.172 1.00 0.00 C ATOM 0 H5' DG A 9 -7.961 -1.706 17.802 1.00 0.00 H new ATOM 0 H5'' DG A 9 -6.277 -2.015 17.429 1.00 0.00 H new ATOM 0 H4' DG A 9 -8.427 -1.698 15.349 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.427 -3.888 16.987 1.00 0.00 H new ATOM 0 H2' DG A 9 -6.621 -5.259 16.304 1.00 0.00 H new ATOM 0 H2'' DG A 9 -7.351 -5.351 14.714 1.00 0.00 H new ATOM 0 HO3' DG A 9 -9.575 -4.930 15.285 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.654 -4.073 13.953 1.00 0.00 H new ATOM 0 H8 DG A 9 -4.980 -4.801 17.488 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.108 -2.060 14.265 1.00 0.00 H new ATOM 0 H21 DG A 9 -2.645 -0.814 12.257 1.00 0.00 H new ATOM 0 H22 DG A 9 -0.944 -0.741 12.727 1.00 0.00 H new TER 273 DG A 9 HETATM 274 NA NA A 101 8.514 -4.909 7.259 1.00 0.00 NA HETATM 275 NA NA A 102 6.006 6.015 12.446 1.00 0.00 NA HETATM 276 NA NA A 103 2.815 -8.120 5.536 1.00 0.00 NA HETATM 277 NA NA A 104 -5.622 4.044 16.352 1.00 0.00 NA HETATM 278 NA NA A 105 9.314 1.695 8.768 1.00 0.00 NA HETATM 279 NA NA A 106 -6.120 0.229 20.724 1.00 0.00 NA HETATM 280 NA NA A 107 -8.797 -9.079 6.752 1.00 0.00 NA HETATM 281 NA NA A 108 1.230 7.660 8.768 1.00 0.00 NA