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 (180deg=0) USER MOD Single : A 9 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -4.236 -8.986 11.412 1.00 0.00 O ATOM 2 C5' DC A 1 -4.042 -8.446 10.115 1.00 0.00 C ATOM 3 C4' DC A 1 -4.702 -7.062 9.953 1.00 0.00 C ATOM 4 O4' DC A 1 -4.222 -6.174 10.961 1.00 0.00 O ATOM 5 C3' DC A 1 -4.328 -6.438 8.603 1.00 0.00 C ATOM 6 O3' DC A 1 -5.366 -5.562 8.189 1.00 0.00 O ATOM 7 C2' DC A 1 -3.044 -5.706 8.967 1.00 0.00 C ATOM 8 C1' DC A 1 -3.373 -5.204 10.372 1.00 0.00 C ATOM 9 N1 DC A 1 -2.134 -5.007 11.165 1.00 0.00 N ATOM 10 C2 DC A 1 -1.636 -3.711 11.328 1.00 0.00 C ATOM 11 O2 DC A 1 -2.288 -2.732 10.974 1.00 0.00 O ATOM 12 N3 DC A 1 -0.405 -3.509 11.868 1.00 0.00 N ATOM 13 C4 DC A 1 0.322 -4.559 12.218 1.00 0.00 C ATOM 14 N4 DC A 1 1.504 -4.314 12.731 1.00 0.00 N ATOM 15 C5 DC A 1 -0.144 -5.899 12.069 1.00 0.00 C ATOM 16 C6 DC A 1 -1.381 -6.086 11.553 1.00 0.00 C ATOM 0 H5' DC A 1 -4.453 -9.131 9.373 1.00 0.00 H new ATOM 0 H5'' DC A 1 -2.974 -8.362 9.915 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.780 -7.203 10.026 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.196 -7.131 7.772 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.178 -6.367 8.959 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.827 -4.889 8.279 1.00 0.00 H new ATOM 0 HO5' DC A 1 -3.803 -9.863 11.469 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.870 -4.234 10.339 1.00 0.00 H new ATOM 0 H41 DC A 1 2.105 -5.086 13.018 1.00 0.00 H new ATOM 0 H42 DC A 1 1.822 -3.351 12.843 1.00 0.00 H new ATOM 0 H5 DC A 1 0.471 -6.738 12.359 1.00 0.00 H new ATOM 0 H6 DC A 1 -1.776 -7.086 11.447 1.00 0.00 H new ATOM 29 P DC A 2 -5.430 -4.970 6.699 1.00 0.00 P ATOM 30 OP1 DC A 2 -6.826 -4.594 6.398 1.00 0.00 O ATOM 31 OP2 DC A 2 -4.855 -5.959 5.764 1.00 0.00 O ATOM 32 O5' DC A 2 -4.530 -3.647 6.693 1.00 0.00 O ATOM 33 C5' DC A 2 -4.465 -2.813 5.547 1.00 0.00 C ATOM 34 C4' DC A 2 -3.806 -1.457 5.842 1.00 0.00 C ATOM 35 O4' DC A 2 -4.593 -0.755 6.800 1.00 0.00 O ATOM 36 C3' DC A 2 -2.380 -1.551 6.397 1.00 0.00 C ATOM 37 O3' DC A 2 -1.639 -0.448 5.887 1.00 0.00 O ATOM 38 C2' DC A 2 -2.636 -1.447 7.894 1.00 0.00 C ATOM 39 C1' DC A 2 -3.762 -0.424 7.898 1.00 0.00 C ATOM 40 N1 DC A 2 -4.495 -0.465 9.186 1.00 0.00 N ATOM 41 C2 DC A 2 -4.168 0.476 10.165 1.00 0.00 C ATOM 42 O2 DC A 2 -3.357 1.390 9.980 1.00 0.00 O ATOM 43 N3 DC A 2 -4.658 0.350 11.416 1.00 0.00 N ATOM 44 C4 DC A 2 -5.472 -0.646 11.700 1.00 0.00 C ATOM 45 N4 DC A 2 -5.942 -0.623 12.922 1.00 0.00 N ATOM 46 C5 DC A 2 -5.830 -1.649 10.749 1.00 0.00 C ATOM 47 C6 DC A 2 -5.318 -1.524 9.496 1.00 0.00 C ATOM 0 H5' DC A 2 -5.472 -2.648 5.164 1.00 0.00 H new ATOM 0 H5'' DC A 2 -3.905 -3.322 4.762 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.748 -0.943 4.883 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.810 -2.443 6.138 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.936 -2.399 8.333 1.00 0.00 H new ATOM 0 H2'' DC A 2 -1.760 -1.104 8.444 1.00 0.00 H new ATOM 0 H1' DC A 2 -3.390 0.596 7.799 1.00 0.00 H new ATOM 0 H41 DC A 2 -6.581 -1.353 13.236 1.00 0.00 H new ATOM 0 H42 DC A 2 -5.669 0.125 13.559 1.00 0.00 H new ATOM 0 H5 DC A 2 -6.479 -2.471 11.014 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.558 -2.258 8.741 1.00 0.00 H new ATOM 59 P DT A 3 -0.050 -0.321 6.090 1.00 0.00 P ATOM 60 OP1 DT A 3 0.442 0.738 5.175 1.00 0.00 O ATOM 61 OP2 DT A 3 0.544 -1.669 6.039 1.00 0.00 O ATOM 62 O5' DT A 3 0.064 0.212 7.604 1.00 0.00 O ATOM 63 C5' DT A 3 0.752 1.394 7.990 1.00 0.00 C ATOM 64 C4' DT A 3 2.218 1.140 8.377 1.00 0.00 C ATOM 65 O4' DT A 3 2.291 0.049 9.275 1.00 0.00 O ATOM 66 C3' DT A 3 3.180 0.881 7.208 1.00 0.00 C ATOM 67 O3' DT A 3 4.244 1.828 7.163 1.00 0.00 O ATOM 68 C2' DT A 3 3.729 -0.510 7.497 1.00 0.00 C ATOM 69 C1' DT A 3 3.423 -0.738 8.977 1.00 0.00 C ATOM 70 N1 DT A 3 3.107 -2.164 9.258 1.00 0.00 N ATOM 71 C2 DT A 3 4.067 -2.942 9.911 1.00 0.00 C ATOM 72 O2 DT A 3 5.148 -2.509 10.297 1.00 0.00 O ATOM 73 N3 DT A 3 3.769 -4.278 10.083 1.00 0.00 N ATOM 74 C4 DT A 3 2.626 -4.915 9.641 1.00 0.00 C ATOM 75 O4 DT A 3 2.499 -6.114 9.868 1.00 0.00 O ATOM 76 C5 DT A 3 1.679 -4.051 8.936 1.00 0.00 C ATOM 77 C7 DT A 3 0.398 -4.624 8.360 1.00 0.00 C ATOM 78 C6 DT A 3 1.938 -2.726 8.786 1.00 0.00 C ATOM 0 H5' DT A 3 0.234 1.850 8.834 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.718 2.111 7.170 1.00 0.00 H new ATOM 0 H4' DT A 3 2.550 2.073 8.833 1.00 0.00 H new ATOM 0 H3' DT A 3 2.676 0.965 6.245 1.00 0.00 H new ATOM 0 H2' DT A 3 3.251 -1.264 6.871 1.00 0.00 H new ATOM 0 H2'' DT A 3 4.800 -0.564 7.299 1.00 0.00 H new ATOM 0 H1' DT A 3 4.290 -0.470 9.581 1.00 0.00 H new ATOM 0 H3 DT A 3 4.454 -4.846 10.581 1.00 0.00 H new ATOM 0 H71 DT A 3 -0.378 -3.858 8.366 1.00 0.00 H new ATOM 0 H72 DT A 3 0.575 -4.954 7.336 1.00 0.00 H new ATOM 0 H73 DT A 3 0.075 -5.472 8.964 1.00 0.00 H new ATOM 0 H6 DT A 3 1.214 -2.099 8.287 1.00 0.00 H new ATOM 91 P DG A 4 4.070 3.264 6.449 1.00 0.00 P ATOM 92 OP1 DG A 4 3.371 3.063 5.158 1.00 0.00 O ATOM 93 OP2 DG A 4 5.370 3.983 6.494 1.00 0.00 O ATOM 94 O5' DG A 4 3.073 4.041 7.438 1.00 0.00 O ATOM 95 C5' DG A 4 3.598 4.848 8.473 1.00 0.00 C ATOM 96 C4' DG A 4 2.587 5.216 9.553 1.00 0.00 C ATOM 97 O4' DG A 4 1.722 4.140 9.899 1.00 0.00 O ATOM 98 C3' DG A 4 3.324 5.609 10.837 1.00 0.00 C ATOM 99 O3' DG A 4 3.729 6.964 10.885 1.00 0.00 O ATOM 100 C2' DG A 4 2.228 5.341 11.847 1.00 0.00 C ATOM 101 C1' DG A 4 1.561 4.087 11.305 1.00 0.00 C ATOM 102 N9 DG A 4 2.157 2.822 11.802 1.00 0.00 N ATOM 103 C8 DG A 4 3.411 2.544 12.291 1.00 0.00 C ATOM 104 N7 DG A 4 3.606 1.287 12.583 1.00 0.00 N ATOM 105 C5 DG A 4 2.382 0.678 12.281 1.00 0.00 C ATOM 106 C6 DG A 4 1.937 -0.690 12.368 1.00 0.00 C ATOM 107 O6 DG A 4 2.531 -1.702 12.734 1.00 0.00 O ATOM 108 N1 DG A 4 0.630 -0.857 11.957 1.00 0.00 N ATOM 109 C2 DG A 4 -0.146 0.150 11.483 1.00 0.00 C ATOM 110 N2 DG A 4 -1.330 -0.159 11.024 1.00 0.00 N ATOM 111 N3 DG A 4 0.190 1.433 11.451 1.00 0.00 N ATOM 112 C4 DG A 4 1.485 1.628 11.837 1.00 0.00 C ATOM 0 H5' DG A 4 3.997 5.764 8.037 1.00 0.00 H new ATOM 0 H5'' DG A 4 4.434 4.325 8.937 1.00 0.00 H new ATOM 0 H4' DG A 4 1.995 6.033 9.142 1.00 0.00 H new ATOM 0 H3' DG A 4 4.263 5.073 10.977 1.00 0.00 H new ATOM 0 H2' DG A 4 2.631 5.183 12.847 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.528 6.174 11.913 1.00 0.00 H new ATOM 0 H1' DG A 4 0.522 4.076 11.633 1.00 0.00 H new ATOM 0 H8 DG A 4 4.170 3.301 12.422 1.00 0.00 H new ATOM 0 H1 DG A 4 0.224 -1.791 12.013 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.942 0.571 10.659 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.642 -1.130 11.030 1.00 0.00 H new HETATM 124 O5' 3DR A 5 6.036 6.611 11.833 1.00 0.00 O HETATM 125 P 3DR A 5 5.263 7.383 10.646 1.00 0.00 P HETATM 126 OP1 3DR A 5 5.335 8.840 10.903 1.00 0.00 O HETATM 127 OP2 3DR A 5 5.727 6.819 9.353 1.00 0.00 O HETATM 128 C2' 3DR A 5 5.346 6.376 16.291 1.00 0.00 C HETATM 129 C5' 3DR A 5 6.053 7.063 13.185 1.00 0.00 C HETATM 130 C4' 3DR A 5 4.771 6.704 13.969 1.00 0.00 C HETATM 131 O4' 3DR A 5 4.719 5.314 14.267 1.00 0.00 O HETATM 132 C1' 3DR A 5 5.443 5.093 15.464 1.00 0.00 C HETATM 133 C3' 3DR A 5 4.716 7.400 15.343 1.00 0.00 C HETATM 134 O3' 3DR A 5 3.400 7.676 15.813 1.00 0.00 O HETATM 0 H5'' 3DR A 5 6.914 6.630 13.694 1.00 0.00 H new HETATM 0 H4'1 3DR A 5 3.950 7.022 13.326 1.00 0.00 H new HETATM 0 H2'' 3DR A 5 4.733 6.229 17.180 1.00 0.00 H new HETATM 0 H1'2 3DR A 5 6.484 4.853 15.246 1.00 0.00 H new HETATM 0 H1'1 3DR A 5 5.029 4.248 16.014 1.00 0.00 H new HETATM 0 H5' 3DR A 5 6.186 8.145 13.197 1.00 0.00 H new HETATM 0 H3' 3DR A 5 5.214 8.368 15.283 1.00 0.00 H new HETATM 0 H2' 3DR A 5 6.328 6.703 16.632 1.00 0.00 H new ATOM 143 P DC A 6 2.361 8.632 15.040 1.00 0.00 P ATOM 144 OP1 DC A 6 3.104 9.514 14.106 1.00 0.00 O ATOM 145 OP2 DC A 6 1.426 9.207 16.037 1.00 0.00 O ATOM 146 O5' DC A 6 1.556 7.559 14.164 1.00 0.00 O ATOM 147 C5' DC A 6 0.342 7.878 13.500 1.00 0.00 C ATOM 148 C4' DC A 6 -0.747 6.858 13.863 1.00 0.00 C ATOM 149 O4' DC A 6 -0.353 5.509 13.609 1.00 0.00 O ATOM 150 C3' DC A 6 -1.100 6.969 15.346 1.00 0.00 C ATOM 151 O3' DC A 6 -2.499 7.098 15.514 1.00 0.00 O ATOM 152 C2' DC A 6 -0.556 5.678 15.933 1.00 0.00 C ATOM 153 C1' DC A 6 -0.698 4.730 14.742 1.00 0.00 C ATOM 154 N1 DC A 6 0.149 3.505 14.857 1.00 0.00 N ATOM 155 C2 DC A 6 -0.463 2.249 14.738 1.00 0.00 C ATOM 156 O2 DC A 6 -1.633 2.135 14.362 1.00 0.00 O ATOM 157 N3 DC A 6 0.226 1.109 15.013 1.00 0.00 N ATOM 158 C4 DC A 6 1.503 1.205 15.357 1.00 0.00 C ATOM 159 N4 DC A 6 2.158 0.088 15.572 1.00 0.00 N ATOM 160 C5 DC A 6 2.190 2.453 15.430 1.00 0.00 C ATOM 161 C6 DC A 6 1.487 3.582 15.165 1.00 0.00 C ATOM 0 H5' DC A 6 0.500 7.884 12.422 1.00 0.00 H new ATOM 0 H5'' DC A 6 0.019 8.881 13.780 1.00 0.00 H new ATOM 0 H4' DC A 6 -1.604 7.094 13.231 1.00 0.00 H new ATOM 0 H3' DC A 6 -0.678 7.846 15.837 1.00 0.00 H new ATOM 0 H2' DC A 6 0.479 5.778 16.259 1.00 0.00 H new ATOM 0 H2'' DC A 6 -1.131 5.344 16.796 1.00 0.00 H new ATOM 0 H1' DC A 6 -1.713 4.337 14.678 1.00 0.00 H new ATOM 0 H41 DC A 6 3.142 0.117 15.839 1.00 0.00 H new ATOM 0 H42 DC A 6 1.683 -0.809 15.472 1.00 0.00 H new ATOM 0 H5 DC A 6 3.238 2.497 15.688 1.00 0.00 H new ATOM 0 H6 DC A 6 1.979 4.543 15.196 1.00 0.00 H new ATOM 173 P DC A 7 -3.138 7.617 16.899 1.00 0.00 P ATOM 174 OP1 DC A 7 -4.399 8.297 16.549 1.00 0.00 O ATOM 175 OP2 DC A 7 -2.077 8.339 17.648 1.00 0.00 O ATOM 176 O5' DC A 7 -3.481 6.235 17.656 1.00 0.00 O ATOM 177 C5' DC A 7 -4.630 6.084 18.480 1.00 0.00 C ATOM 178 C4' DC A 7 -5.299 4.708 18.310 1.00 0.00 C ATOM 179 O4' DC A 7 -5.866 4.613 17.007 1.00 0.00 O ATOM 180 C3' DC A 7 -4.344 3.523 18.480 1.00 0.00 C ATOM 181 O3' DC A 7 -5.052 2.420 19.032 1.00 0.00 O ATOM 182 C2' DC A 7 -3.945 3.242 17.038 1.00 0.00 C ATOM 183 C1' DC A 7 -5.251 3.541 16.309 1.00 0.00 C ATOM 184 N1 DC A 7 -4.993 3.857 14.880 1.00 0.00 N ATOM 185 C2 DC A 7 -4.839 2.792 13.985 1.00 0.00 C ATOM 186 O2 DC A 7 -4.977 1.614 14.326 1.00 0.00 O ATOM 187 N3 DC A 7 -4.487 3.041 12.701 1.00 0.00 N ATOM 188 C4 DC A 7 -4.403 4.285 12.273 1.00 0.00 C ATOM 189 N4 DC A 7 -4.072 4.398 11.010 1.00 0.00 N ATOM 190 C5 DC A 7 -4.584 5.410 13.130 1.00 0.00 C ATOM 191 C6 DC A 7 -4.837 5.155 14.442 1.00 0.00 C ATOM 0 H5' DC A 7 -5.350 6.867 18.241 1.00 0.00 H new ATOM 0 H5'' DC A 7 -4.346 6.220 19.523 1.00 0.00 H new ATOM 0 H4' DC A 7 -6.049 4.647 19.098 1.00 0.00 H new ATOM 0 H3' DC A 7 -3.497 3.707 19.141 1.00 0.00 H new ATOM 0 H2' DC A 7 -3.130 3.884 16.703 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.619 2.212 16.894 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.918 2.679 16.300 1.00 0.00 H new ATOM 0 H41 DC A 7 -3.982 5.322 10.587 1.00 0.00 H new ATOM 0 H42 DC A 7 -3.905 3.562 10.450 1.00 0.00 H new ATOM 0 H5 DC A 7 -4.523 6.421 12.754 1.00 0.00 H new ATOM 0 H6 DC A 7 -4.916 5.972 15.143 1.00 0.00 H new ATOM 203 P DT A 8 -4.296 1.275 19.868 1.00 0.00 P ATOM 204 OP1 DT A 8 -5.286 0.276 20.348 1.00 0.00 O ATOM 205 OP2 DT A 8 -3.383 1.920 20.829 1.00 0.00 O ATOM 206 O5' DT A 8 -3.384 0.556 18.763 1.00 0.00 O ATOM 207 C5' DT A 8 -3.880 -0.413 17.850 1.00 0.00 C ATOM 208 C4' DT A 8 -2.935 -1.617 17.867 1.00 0.00 C ATOM 209 O4' DT A 8 -1.646 -1.195 17.450 1.00 0.00 O ATOM 210 C3' DT A 8 -2.787 -2.203 19.275 1.00 0.00 C ATOM 211 O3' DT A 8 -2.821 -3.617 19.251 1.00 0.00 O ATOM 212 C2' DT A 8 -1.423 -1.716 19.733 1.00 0.00 C ATOM 213 C1' DT A 8 -0.673 -1.542 18.419 1.00 0.00 C ATOM 214 N1 DT A 8 0.366 -0.488 18.534 1.00 0.00 N ATOM 215 C2 DT A 8 1.695 -0.889 18.703 1.00 0.00 C ATOM 216 O2 DT A 8 2.043 -2.061 18.805 1.00 0.00 O ATOM 217 N3 DT A 8 2.638 0.115 18.784 1.00 0.00 N ATOM 218 C4 DT A 8 2.376 1.469 18.740 1.00 0.00 C ATOM 219 O4 DT A 8 3.324 2.247 18.761 1.00 0.00 O ATOM 220 C5 DT A 8 0.958 1.819 18.667 1.00 0.00 C ATOM 221 C7 DT A 8 0.523 3.273 18.692 1.00 0.00 C ATOM 222 C6 DT A 8 0.015 0.844 18.566 1.00 0.00 C ATOM 0 H5' DT A 8 -3.941 0.007 16.846 1.00 0.00 H new ATOM 0 H5'' DT A 8 -4.888 -0.718 18.130 1.00 0.00 H new ATOM 0 H4' DT A 8 -3.353 -2.374 17.204 1.00 0.00 H new ATOM 0 H3' DT A 8 -3.597 -1.894 19.936 1.00 0.00 H new ATOM 0 H2' DT A 8 -1.492 -0.780 20.287 1.00 0.00 H new ATOM 0 H2'' DT A 8 -0.933 -2.438 20.387 1.00 0.00 H new ATOM 0 H1' DT A 8 -0.151 -2.457 18.140 1.00 0.00 H new ATOM 0 H3 DT A 8 3.613 -0.168 18.885 1.00 0.00 H new ATOM 0 H71 DT A 8 -0.401 3.386 18.125 1.00 0.00 H new ATOM 0 H72 DT A 8 0.357 3.585 19.723 1.00 0.00 H new ATOM 0 H73 DT A 8 1.300 3.893 18.246 1.00 0.00 H new ATOM 0 H6 DT A 8 -1.028 1.119 18.510 1.00 0.00 H new ATOM 235 P DG A 9 -4.194 -4.419 19.497 1.00 0.00 P ATOM 236 OP1 DG A 9 -5.034 -3.643 20.439 1.00 0.00 O ATOM 237 OP2 DG A 9 -3.710 -5.775 19.841 1.00 0.00 O ATOM 238 O5' DG A 9 -4.920 -4.477 18.064 1.00 0.00 O ATOM 239 C5' DG A 9 -4.903 -5.672 17.302 1.00 0.00 C ATOM 240 C4' DG A 9 -5.712 -5.581 15.999 1.00 0.00 C ATOM 241 O4' DG A 9 -5.140 -4.699 15.045 1.00 0.00 O ATOM 242 C3' DG A 9 -5.733 -6.930 15.275 1.00 0.00 C ATOM 243 O3' DG A 9 -6.917 -7.072 14.517 1.00 0.00 O ATOM 244 C2' DG A 9 -4.532 -6.874 14.340 1.00 0.00 C ATOM 245 C1' DG A 9 -4.173 -5.384 14.257 1.00 0.00 C ATOM 246 N9 DG A 9 -2.800 -5.023 14.703 1.00 0.00 N ATOM 247 C8 DG A 9 -1.747 -5.816 15.107 1.00 0.00 C ATOM 248 N7 DG A 9 -0.674 -5.153 15.438 1.00 0.00 N ATOM 249 C5 DG A 9 -0.994 -3.825 15.135 1.00 0.00 C ATOM 250 C6 DG A 9 -0.215 -2.618 15.178 1.00 0.00 C ATOM 251 O6 DG A 9 0.935 -2.436 15.566 1.00 0.00 O ATOM 252 N1 DG A 9 -0.899 -1.506 14.727 1.00 0.00 N ATOM 253 C2 DG A 9 -2.210 -1.520 14.370 1.00 0.00 C ATOM 254 N2 DG A 9 -2.799 -0.353 14.257 1.00 0.00 N ATOM 255 N3 DG A 9 -2.964 -2.612 14.310 1.00 0.00 N ATOM 256 C4 DG A 9 -2.296 -3.742 14.689 1.00 0.00 C ATOM 0 H5' DG A 9 -5.298 -6.486 17.909 1.00 0.00 H new ATOM 0 H5'' DG A 9 -3.870 -5.926 17.062 1.00 0.00 H new ATOM 0 H4' DG A 9 -6.696 -5.238 16.318 1.00 0.00 H new ATOM 0 H3' DG A 9 -5.696 -7.769 15.970 1.00 0.00 H new ATOM 0 H2' DG A 9 -3.700 -7.461 14.729 1.00 0.00 H new ATOM 0 H2'' DG A 9 -4.776 -7.278 13.357 1.00 0.00 H new ATOM 0 HO3' DG A 9 -6.911 -7.939 14.061 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.184 -5.098 13.205 1.00 0.00 H new ATOM 0 H8 DG A 9 -1.806 -6.894 15.146 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.391 -0.624 14.658 1.00 0.00 H new ATOM 0 H21 DG A 9 -3.783 -0.302 13.992 1.00 0.00 H new ATOM 0 H22 DG A 9 -2.273 0.503 14.435 1.00 0.00 H new TER 269 DG A 9 HETATM 270 NA NA A 101 1.627 2.242 4.112 1.00 0.00 NA HETATM 271 NA NA A 102 3.956 10.028 12.141 1.00 0.00 NA HETATM 272 NA NA A 103 -5.978 -1.712 20.972 1.00 0.00 NA HETATM 273 NA NA A 104 6.435 5.546 7.668 1.00 0.00 NA HETATM 274 NA NA A 105 -2.732 1.444 12.406 1.00 0.00 NA HETATM 275 NA NA A 106 -1.550 -5.677 19.240 1.00 0.00 NA HETATM 276 NA NA A 107 -6.851 -6.040 4.619 1.00 0.00 NA HETATM 277 NA NA A 108 -0.117 9.372 17.620 1.00 0.00 NA