USER MOD reduce.3.24.130724 H: found=0, std=0, add=100, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 100 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 Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.0165 (180deg=-0.0165) USER MOD Single : A 9 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -4.318 -8.998 11.462 1.00 0.00 O ATOM 2 C5' DC A 1 -4.094 -8.464 10.167 1.00 0.00 C ATOM 3 C4' DC A 1 -4.738 -7.075 9.991 1.00 0.00 C ATOM 4 O4' DC A 1 -4.245 -6.187 10.991 1.00 0.00 O ATOM 5 C3' DC A 1 -4.362 -6.470 8.631 1.00 0.00 C ATOM 6 O3' DC A 1 -5.392 -5.597 8.189 1.00 0.00 O ATOM 7 C2' DC A 1 -3.073 -5.741 8.988 1.00 0.00 C ATOM 8 C1' DC A 1 -3.399 -5.225 10.388 1.00 0.00 C ATOM 9 N1 DC A 1 -2.152 -5.023 11.165 1.00 0.00 N ATOM 10 C2 DC A 1 -1.626 -3.733 11.264 1.00 0.00 C ATOM 11 O2 DC A 1 -2.254 -2.761 10.851 1.00 0.00 O ATOM 12 N3 DC A 1 -0.394 -3.531 11.800 1.00 0.00 N ATOM 13 C4 DC A 1 0.314 -4.578 12.193 1.00 0.00 C ATOM 14 N4 DC A 1 1.494 -4.333 12.707 1.00 0.00 N ATOM 15 C5 DC A 1 -0.173 -5.916 12.090 1.00 0.00 C ATOM 16 C6 DC A 1 -1.415 -6.100 11.586 1.00 0.00 C ATOM 0 H5' DC A 1 -4.497 -9.147 9.419 1.00 0.00 H new ATOM 0 H5'' DC A 1 -3.022 -8.391 9.986 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.818 -7.199 10.066 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.237 -7.178 7.812 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.210 -6.407 8.986 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.852 -4.931 8.292 1.00 0.00 H new ATOM 0 HO5' DC A 1 -3.895 -9.879 11.530 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.900 -4.258 10.352 1.00 0.00 H new ATOM 0 H41 DC A 1 2.081 -5.104 13.026 1.00 0.00 H new ATOM 0 H42 DC A 1 1.825 -3.372 12.788 1.00 0.00 H new ATOM 0 H5 DC A 1 0.431 -6.755 12.404 1.00 0.00 H new ATOM 0 H6 DC A 1 -1.826 -7.096 11.515 1.00 0.00 H new ATOM 29 P DC A 2 -5.437 -5.024 6.688 1.00 0.00 P ATOM 30 OP1 DC A 2 -6.833 -4.673 6.354 1.00 0.00 O ATOM 31 OP2 DC A 2 -4.830 -6.016 5.775 1.00 0.00 O ATOM 32 O5' DC A 2 -4.553 -3.687 6.686 1.00 0.00 O ATOM 33 C5' DC A 2 -4.482 -2.854 5.539 1.00 0.00 C ATOM 34 C4' DC A 2 -3.838 -1.490 5.831 1.00 0.00 C ATOM 35 O4' DC A 2 -4.627 -0.808 6.801 1.00 0.00 O ATOM 36 C3' DC A 2 -2.401 -1.555 6.370 1.00 0.00 C ATOM 37 O3' DC A 2 -1.689 -0.425 5.880 1.00 0.00 O ATOM 38 C2' DC A 2 -2.650 -1.479 7.868 1.00 0.00 C ATOM 39 C1' DC A 2 -3.782 -0.465 7.883 1.00 0.00 C ATOM 40 N1 DC A 2 -4.485 -0.474 9.187 1.00 0.00 N ATOM 41 C2 DC A 2 -4.111 0.480 10.134 1.00 0.00 C ATOM 42 O2 DC A 2 -3.288 1.373 9.904 1.00 0.00 O ATOM 43 N3 DC A 2 -4.555 0.388 11.404 1.00 0.00 N ATOM 44 C4 DC A 2 -5.358 -0.600 11.739 1.00 0.00 C ATOM 45 N4 DC A 2 -5.730 -0.565 12.994 1.00 0.00 N ATOM 46 C5 DC A 2 -5.773 -1.613 10.821 1.00 0.00 C ATOM 47 C6 DC A 2 -5.311 -1.515 9.545 1.00 0.00 C ATOM 0 H5' DC A 2 -5.487 -2.699 5.146 1.00 0.00 H new ATOM 0 H5'' DC A 2 -3.910 -3.362 4.762 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.795 -0.975 4.871 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.812 -2.427 6.085 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.942 -2.439 8.293 1.00 0.00 H new ATOM 0 H2'' DC A 2 -1.775 -1.138 8.421 1.00 0.00 H new ATOM 0 H1' DC A 2 -3.418 0.556 7.765 1.00 0.00 H new ATOM 0 H41 DC A 2 -6.353 -1.284 13.361 1.00 0.00 H new ATOM 0 H42 DC A 2 -5.396 0.181 13.604 1.00 0.00 H new ATOM 0 H5 DC A 2 -6.423 -2.419 11.126 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.593 -2.256 8.811 1.00 0.00 H new ATOM 59 P DT A 3 -0.101 -0.260 6.074 1.00 0.00 P ATOM 60 OP1 DT A 3 0.346 0.845 5.192 1.00 0.00 O ATOM 61 OP2 DT A 3 0.533 -1.588 5.965 1.00 0.00 O ATOM 62 O5' DT A 3 0.028 0.226 7.604 1.00 0.00 O ATOM 63 C5' DT A 3 0.707 1.404 8.017 1.00 0.00 C ATOM 64 C4' DT A 3 2.187 1.170 8.353 1.00 0.00 C ATOM 65 O4' DT A 3 2.305 0.072 9.239 1.00 0.00 O ATOM 66 C3' DT A 3 3.118 0.944 7.152 1.00 0.00 C ATOM 67 O3' DT A 3 4.179 1.891 7.108 1.00 0.00 O ATOM 68 C2' DT A 3 3.674 -0.454 7.394 1.00 0.00 C ATOM 69 C1' DT A 3 3.425 -0.707 8.882 1.00 0.00 C ATOM 70 N1 DT A 3 3.127 -2.137 9.158 1.00 0.00 N ATOM 71 C2 DT A 3 4.107 -2.912 9.784 1.00 0.00 C ATOM 72 O2 DT A 3 5.199 -2.476 10.136 1.00 0.00 O ATOM 73 N3 DT A 3 3.816 -4.248 9.970 1.00 0.00 N ATOM 74 C4 DT A 3 2.663 -4.890 9.563 1.00 0.00 C ATOM 75 O4 DT A 3 2.549 -6.091 9.789 1.00 0.00 O ATOM 76 C5 DT A 3 1.693 -4.028 8.888 1.00 0.00 C ATOM 77 C7 DT A 3 0.394 -4.606 8.358 1.00 0.00 C ATOM 78 C6 DT A 3 1.945 -2.703 8.723 1.00 0.00 C ATOM 0 H5' DT A 3 0.204 1.816 8.892 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.635 2.151 7.227 1.00 0.00 H new ATOM 0 H4' DT A 3 2.520 2.103 8.807 1.00 0.00 H new ATOM 0 H3' DT A 3 2.592 1.053 6.204 1.00 0.00 H new ATOM 0 H2' DT A 3 3.170 -1.196 6.774 1.00 0.00 H new ATOM 0 H2'' DT A 3 4.736 -0.507 7.154 1.00 0.00 H new ATOM 0 H1' DT A 3 4.316 -0.446 9.454 1.00 0.00 H new ATOM 0 H3 DT A 3 4.516 -4.812 10.452 1.00 0.00 H new ATOM 0 H71 DT A 3 -0.383 -3.842 8.387 1.00 0.00 H new ATOM 0 H72 DT A 3 0.537 -4.939 7.330 1.00 0.00 H new ATOM 0 H73 DT A 3 0.094 -5.453 8.975 1.00 0.00 H new ATOM 0 H6 DT A 3 1.206 -2.080 8.242 1.00 0.00 H new ATOM 91 P DG A 4 3.993 3.344 6.431 1.00 0.00 P ATOM 92 OP1 DG A 4 3.264 3.180 5.153 1.00 0.00 O ATOM 93 OP2 DG A 4 5.297 4.055 6.464 1.00 0.00 O ATOM 94 O5' DG A 4 3.020 4.101 7.458 1.00 0.00 O ATOM 95 C5' DG A 4 3.566 4.882 8.503 1.00 0.00 C ATOM 96 C4' DG A 4 2.572 5.224 9.607 1.00 0.00 C ATOM 97 O4' DG A 4 1.718 4.139 9.950 1.00 0.00 O ATOM 98 C3' DG A 4 3.330 5.595 10.884 1.00 0.00 C ATOM 99 O3' DG A 4 3.744 6.948 10.945 1.00 0.00 O ATOM 100 C2' DG A 4 2.245 5.321 11.904 1.00 0.00 C ATOM 101 C1' DG A 4 1.562 4.077 11.356 1.00 0.00 C ATOM 102 N9 DG A 4 2.150 2.804 11.839 1.00 0.00 N ATOM 103 C8 DG A 4 3.401 2.524 12.334 1.00 0.00 C ATOM 104 N7 DG A 4 3.601 1.265 12.608 1.00 0.00 N ATOM 105 C5 DG A 4 2.385 0.655 12.286 1.00 0.00 C ATOM 106 C6 DG A 4 1.951 -0.717 12.341 1.00 0.00 C ATOM 107 O6 DG A 4 2.547 -1.731 12.695 1.00 0.00 O ATOM 108 N1 DG A 4 0.651 -0.886 11.910 1.00 0.00 N ATOM 109 C2 DG A 4 -0.127 0.123 11.445 1.00 0.00 C ATOM 110 N2 DG A 4 -1.292 -0.192 10.949 1.00 0.00 N ATOM 111 N3 DG A 4 0.194 1.411 11.449 1.00 0.00 N ATOM 112 C4 DG A 4 1.484 1.607 11.851 1.00 0.00 C ATOM 0 H5' DG A 4 3.959 5.808 8.083 1.00 0.00 H new ATOM 0 H5'' DG A 4 4.409 4.347 8.940 1.00 0.00 H new ATOM 0 H4' DG A 4 1.969 6.045 9.220 1.00 0.00 H new ATOM 0 H3' DG A 4 4.268 5.052 11.004 1.00 0.00 H new ATOM 0 H2' DG A 4 2.660 5.149 12.897 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.551 6.157 11.989 1.00 0.00 H new ATOM 0 H1' DG A 4 0.524 4.074 11.689 1.00 0.00 H new ATOM 0 H8 DG A 4 4.155 3.283 12.483 1.00 0.00 H new ATOM 0 H1 DG A 4 0.252 -1.824 11.943 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.907 0.538 10.589 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.588 -1.168 10.921 1.00 0.00 H new HETATM 124 O5' 3DR A 5 6.045 6.576 11.892 1.00 0.00 O HETATM 125 P 3DR A 5 5.280 7.357 10.707 1.00 0.00 P HETATM 126 OP1 3DR A 5 5.364 8.813 10.966 1.00 0.00 O HETATM 127 OP2 3DR A 5 5.735 6.793 9.411 1.00 0.00 O HETATM 128 C2' 3DR A 5 5.374 6.405 16.360 1.00 0.00 C HETATM 129 C5' 3DR A 5 6.073 7.031 13.241 1.00 0.00 C HETATM 130 C4' 3DR A 5 4.790 6.692 14.034 1.00 0.00 C HETATM 131 O4' 3DR A 5 4.732 5.309 14.355 1.00 0.00 O HETATM 132 C1' 3DR A 5 5.454 5.105 15.558 1.00 0.00 C HETATM 133 C3' 3DR A 5 4.738 7.410 15.397 1.00 0.00 C HETATM 134 O3' 3DR A 5 3.422 7.686 15.872 1.00 0.00 O HETATM 0 H5'' 3DR A 5 6.931 6.589 13.747 1.00 0.00 H new HETATM 0 H4'1 3DR A 5 3.971 7.005 13.386 1.00 0.00 H new HETATM 0 H2'' 3DR A 5 4.771 6.280 17.259 1.00 0.00 H new HETATM 0 H1'2 3DR A 5 6.492 4.848 15.345 1.00 0.00 H new HETATM 0 H1'1 3DR A 5 5.030 4.276 16.125 1.00 0.00 H new HETATM 0 H5' 3DR A 5 6.220 8.111 13.249 1.00 0.00 H new HETATM 0 H3' 3DR A 5 5.232 8.378 15.316 1.00 0.00 H new HETATM 0 H2' 3DR A 5 6.362 6.734 16.682 1.00 0.00 H new ATOM 143 P DC A 6 2.370 8.615 15.088 1.00 0.00 P ATOM 144 OP1 DC A 6 3.096 9.478 14.124 1.00 0.00 O ATOM 145 OP2 DC A 6 1.440 9.212 16.078 1.00 0.00 O ATOM 146 O5' DC A 6 1.555 7.521 14.251 1.00 0.00 O ATOM 147 C5' DC A 6 0.348 7.836 13.576 1.00 0.00 C ATOM 148 C4' DC A 6 -0.732 6.799 13.914 1.00 0.00 C ATOM 149 O4' DC A 6 -0.322 5.460 13.640 1.00 0.00 O ATOM 150 C3' DC A 6 -1.107 6.882 15.396 1.00 0.00 C ATOM 151 O3' DC A 6 -2.506 6.994 15.565 1.00 0.00 O ATOM 152 C2' DC A 6 -0.577 5.581 15.960 1.00 0.00 C ATOM 153 C1' DC A 6 -0.682 4.657 14.749 1.00 0.00 C ATOM 154 N1 DC A 6 0.178 3.443 14.868 1.00 0.00 N ATOM 155 C2 DC A 6 -0.422 2.184 14.740 1.00 0.00 C ATOM 156 O2 DC A 6 -1.576 2.065 14.322 1.00 0.00 O ATOM 157 N3 DC A 6 0.263 1.053 15.050 1.00 0.00 N ATOM 158 C4 DC A 6 1.532 1.157 15.421 1.00 0.00 C ATOM 159 N4 DC A 6 2.171 0.043 15.683 1.00 0.00 N ATOM 160 C5 DC A 6 2.215 2.408 15.488 1.00 0.00 C ATOM 161 C6 DC A 6 1.510 3.531 15.200 1.00 0.00 C ATOM 0 H5' DC A 6 0.519 7.857 12.500 1.00 0.00 H new ATOM 0 H5'' DC A 6 0.010 8.831 13.864 1.00 0.00 H new ATOM 0 H4' DC A 6 -1.585 7.037 13.279 1.00 0.00 H new ATOM 0 H3' DC A 6 -0.693 7.758 15.896 1.00 0.00 H new ATOM 0 H2' DC A 6 0.449 5.676 16.315 1.00 0.00 H new ATOM 0 H2'' DC A 6 -1.174 5.225 16.800 1.00 0.00 H new ATOM 0 H1' DC A 6 -1.690 4.255 14.649 1.00 0.00 H new ATOM 0 H41 DC A 6 3.149 0.072 15.972 1.00 0.00 H new ATOM 0 H42 DC A 6 1.690 -0.853 15.598 1.00 0.00 H new ATOM 0 H5 DC A 6 3.259 2.459 15.759 1.00 0.00 H new ATOM 0 H6 DC A 6 1.995 4.495 15.231 1.00 0.00 H new ATOM 173 P DC A 7 -3.155 7.503 16.952 1.00 0.00 P ATOM 174 OP1 DC A 7 -4.457 8.101 16.602 1.00 0.00 O ATOM 175 OP2 DC A 7 -2.125 8.318 17.648 1.00 0.00 O ATOM 176 O5' DC A 7 -3.401 6.142 17.794 1.00 0.00 O ATOM 177 C5' DC A 7 -4.570 5.943 18.587 1.00 0.00 C ATOM 178 C4' DC A 7 -5.376 4.688 18.198 1.00 0.00 C ATOM 179 O4' DC A 7 -5.798 4.783 16.841 1.00 0.00 O ATOM 180 C3' DC A 7 -4.620 3.359 18.340 1.00 0.00 C ATOM 181 O3' DC A 7 -5.575 2.347 18.636 1.00 0.00 O ATOM 182 C2' DC A 7 -4.081 3.183 16.925 1.00 0.00 C ATOM 183 C1' DC A 7 -5.277 3.676 16.119 1.00 0.00 C ATOM 184 N1 DC A 7 -4.892 4.015 14.724 1.00 0.00 N ATOM 185 C2 DC A 7 -4.671 2.967 13.823 1.00 0.00 C ATOM 186 O2 DC A 7 -4.779 1.782 14.150 1.00 0.00 O ATOM 187 N3 DC A 7 -4.289 3.240 12.549 1.00 0.00 N ATOM 188 C4 DC A 7 -4.255 4.492 12.136 1.00 0.00 C ATOM 189 N4 DC A 7 -3.897 4.645 10.885 1.00 0.00 N ATOM 190 C5 DC A 7 -4.514 5.598 12.997 1.00 0.00 C ATOM 191 C6 DC A 7 -4.777 5.319 14.301 1.00 0.00 C ATOM 0 H5' DC A 7 -5.213 6.819 18.497 1.00 0.00 H new ATOM 0 H5'' DC A 7 -4.279 5.867 19.635 1.00 0.00 H new ATOM 0 H4' DC A 7 -6.208 4.670 18.902 1.00 0.00 H new ATOM 0 H3' DC A 7 -3.851 3.322 19.112 1.00 0.00 H new ATOM 0 H2' DC A 7 -3.185 3.776 16.744 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.828 2.147 16.702 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.040 2.905 16.008 1.00 0.00 H new ATOM 0 H41 DC A 7 -3.843 5.580 10.481 1.00 0.00 H new ATOM 0 H42 DC A 7 -3.672 3.829 10.316 1.00 0.00 H new ATOM 0 H5 DC A 7 -4.502 6.613 12.629 1.00 0.00 H new ATOM 0 H6 DC A 7 -4.896 6.126 15.009 1.00 0.00 H new ATOM 203 P DT A 8 -5.188 0.890 19.194 1.00 0.00 P ATOM 204 OP1 DT A 8 -6.302 -0.033 18.899 1.00 0.00 O ATOM 205 OP2 DT A 8 -4.803 0.951 20.618 1.00 0.00 O ATOM 206 O5' DT A 8 -3.893 0.383 18.390 1.00 0.00 O ATOM 207 C5' DT A 8 -3.931 -0.671 17.435 1.00 0.00 C ATOM 208 C4' DT A 8 -2.815 -1.668 17.751 1.00 0.00 C ATOM 209 O4' DT A 8 -1.565 -1.064 17.467 1.00 0.00 O ATOM 210 C3' DT A 8 -2.798 -2.089 19.229 1.00 0.00 C ATOM 211 O3' DT A 8 -2.930 -3.491 19.393 1.00 0.00 O ATOM 212 C2' DT A 8 -1.447 -1.602 19.735 1.00 0.00 C ATOM 213 C1' DT A 8 -0.629 -1.422 18.463 1.00 0.00 C ATOM 214 N1 DT A 8 0.383 -0.351 18.633 1.00 0.00 N ATOM 215 C2 DT A 8 1.707 -0.721 18.884 1.00 0.00 C ATOM 216 O2 DT A 8 2.073 -1.884 19.012 1.00 0.00 O ATOM 217 N3 DT A 8 2.620 0.303 19.016 1.00 0.00 N ATOM 218 C4 DT A 8 2.333 1.652 18.950 1.00 0.00 C ATOM 219 O4 DT A 8 3.258 2.451 19.046 1.00 0.00 O ATOM 220 C5 DT A 8 0.916 1.969 18.771 1.00 0.00 C ATOM 221 C7 DT A 8 0.457 3.416 18.744 1.00 0.00 C ATOM 222 C6 DT A 8 0.001 0.974 18.622 1.00 0.00 C ATOM 0 H5' DT A 8 -3.806 -0.272 16.428 1.00 0.00 H new ATOM 0 H5'' DT A 8 -4.900 -1.169 17.462 1.00 0.00 H new ATOM 0 H4' DT A 8 -2.995 -2.553 17.141 1.00 0.00 H new ATOM 0 H3' DT A 8 -3.638 -1.665 19.780 1.00 0.00 H new ATOM 0 H2' DT A 8 -1.540 -0.667 20.287 1.00 0.00 H new ATOM 0 H2'' DT A 8 -0.987 -2.325 20.408 1.00 0.00 H new ATOM 0 H1' DT A 8 -0.082 -2.329 18.204 1.00 0.00 H new ATOM 0 H3 DT A 8 3.593 0.041 19.176 1.00 0.00 H new ATOM 0 H71 DT A 8 -0.426 3.506 18.112 1.00 0.00 H new ATOM 0 H72 DT A 8 0.213 3.739 19.756 1.00 0.00 H new ATOM 0 H73 DT A 8 1.254 4.043 18.345 1.00 0.00 H new ATOM 0 H6 DT A 8 -1.041 1.226 18.493 1.00 0.00 H new ATOM 235 P DG A 9 -4.385 -4.160 19.602 1.00 0.00 P ATOM 236 OP1 DG A 9 -5.203 -3.235 20.422 1.00 0.00 O ATOM 237 OP2 DG A 9 -4.053 -5.511 20.106 1.00 0.00 O ATOM 238 O5' DG A 9 -5.015 -4.286 18.123 1.00 0.00 O ATOM 239 C5' DG A 9 -4.832 -5.458 17.341 1.00 0.00 C ATOM 240 C4' DG A 9 -5.676 -5.431 16.053 1.00 0.00 C ATOM 241 O4' DG A 9 -5.111 -4.619 15.035 1.00 0.00 O ATOM 242 C3' DG A 9 -5.773 -6.808 15.385 1.00 0.00 C ATOM 243 O3' DG A 9 -6.986 -6.925 14.666 1.00 0.00 O ATOM 244 C2' DG A 9 -4.606 -6.841 14.401 1.00 0.00 C ATOM 245 C1' DG A 9 -4.184 -5.373 14.259 1.00 0.00 C ATOM 246 N9 DG A 9 -2.793 -5.045 14.677 1.00 0.00 N ATOM 247 C8 DG A 9 -1.768 -5.842 15.139 1.00 0.00 C ATOM 248 N7 DG A 9 -0.686 -5.189 15.462 1.00 0.00 N ATOM 249 C5 DG A 9 -0.978 -3.864 15.125 1.00 0.00 C ATOM 250 C6 DG A 9 -0.200 -2.657 15.203 1.00 0.00 C ATOM 251 O6 DG A 9 0.927 -2.471 15.653 1.00 0.00 O ATOM 252 N1 DG A 9 -0.864 -1.546 14.717 1.00 0.00 N ATOM 253 C2 DG A 9 -2.145 -1.567 14.268 1.00 0.00 C ATOM 254 N2 DG A 9 -2.733 -0.416 14.060 1.00 0.00 N ATOM 255 N3 DG A 9 -2.897 -2.657 14.185 1.00 0.00 N ATOM 256 C4 DG A 9 -2.258 -3.780 14.623 1.00 0.00 C ATOM 0 H5' DG A 9 -5.101 -6.334 17.932 1.00 0.00 H new ATOM 0 H5'' DG A 9 -3.778 -5.560 17.082 1.00 0.00 H new ATOM 0 H4' DG A 9 -6.639 -5.056 16.398 1.00 0.00 H new ATOM 0 H3' DG A 9 -5.743 -7.616 16.115 1.00 0.00 H new ATOM 0 H2' DG A 9 -3.787 -7.455 14.776 1.00 0.00 H new ATOM 0 H2'' DG A 9 -4.907 -7.262 13.442 1.00 0.00 H new ATOM 0 HO3' DG A 9 -7.032 -7.808 14.244 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.194 -5.133 13.196 1.00 0.00 H new ATOM 0 H8 DG A 9 -1.853 -6.915 15.226 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.362 -0.658 14.694 1.00 0.00 H new ATOM 0 H21 DG A 9 -3.695 -0.388 13.723 1.00 0.00 H new ATOM 0 H22 DG A 9 -2.229 0.453 14.235 1.00 0.00 H new TER 269 DG A 9 HETATM 270 NA NA A 101 1.433 2.459 4.189 1.00 0.00 NA HETATM 271 NA NA A 102 3.972 10.008 12.177 1.00 0.00 NA HETATM 272 NA NA A 103 -6.001 -1.196 20.831 1.00 0.00 NA HETATM 273 NA NA A 104 6.386 5.554 7.687 1.00 0.00 NA HETATM 274 NA NA A 105 -2.625 1.546 12.290 1.00 0.00 NA HETATM 275 NA NA A 106 -1.832 -5.549 20.104 1.00 0.00 NA HETATM 276 NA NA A 107 -6.809 -6.128 4.587 1.00 0.00 NA HETATM 277 NA NA A 108 -0.208 9.415 17.538 1.00 0.00 NA