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 -4.206 -8.976 11.458 1.00 0.00 O ATOM 2 C5' DC A 1 -4.103 -8.452 10.144 1.00 0.00 C ATOM 3 C4' DC A 1 -4.732 -7.050 10.013 1.00 0.00 C ATOM 4 O4' DC A 1 -4.201 -6.176 11.005 1.00 0.00 O ATOM 5 C3' DC A 1 -4.386 -6.441 8.647 1.00 0.00 C ATOM 6 O3' DC A 1 -5.412 -5.554 8.225 1.00 0.00 O ATOM 7 C2' DC A 1 -3.080 -5.727 8.971 1.00 0.00 C ATOM 8 C1' DC A 1 -3.351 -5.226 10.389 1.00 0.00 C ATOM 9 N1 DC A 1 -2.085 -5.073 11.146 1.00 0.00 N ATOM 10 C2 DC A 1 -1.550 -3.792 11.306 1.00 0.00 C ATOM 11 O2 DC A 1 -2.182 -2.797 10.962 1.00 0.00 O ATOM 12 N3 DC A 1 -0.304 -3.627 11.820 1.00 0.00 N ATOM 13 C4 DC A 1 0.409 -4.699 12.126 1.00 0.00 C ATOM 14 N4 DC A 1 1.632 -4.482 12.548 1.00 0.00 N ATOM 15 C5 DC A 1 -0.088 -6.026 11.974 1.00 0.00 C ATOM 16 C6 DC A 1 -1.348 -6.175 11.499 1.00 0.00 C ATOM 0 H5' DC A 1 -4.592 -9.132 9.446 1.00 0.00 H new ATOM 0 H5'' DC A 1 -3.052 -8.403 9.858 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.810 -7.158 10.129 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.294 -7.151 7.825 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.223 -6.400 8.930 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.877 -4.910 8.279 1.00 0.00 H new ATOM 0 HO5' DC A 1 -3.795 -9.865 11.489 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.823 -4.244 10.370 1.00 0.00 H new ATOM 0 H41 DC A 1 2.232 -5.268 12.800 1.00 0.00 H new ATOM 0 H42 DC A 1 1.983 -3.527 12.625 1.00 0.00 H new ATOM 0 H5 DC A 1 0.518 -6.883 12.229 1.00 0.00 H new ATOM 0 H6 DC A 1 -1.773 -7.163 11.398 1.00 0.00 H new ATOM 29 P DC A 2 -5.483 -4.994 6.719 1.00 0.00 P ATOM 30 OP1 DC A 2 -6.883 -4.634 6.411 1.00 0.00 O ATOM 31 OP2 DC A 2 -4.903 -5.997 5.801 1.00 0.00 O ATOM 32 O5' DC A 2 -4.590 -3.663 6.689 1.00 0.00 O ATOM 33 C5' DC A 2 -4.547 -2.828 5.540 1.00 0.00 C ATOM 34 C4' DC A 2 -3.890 -1.464 5.812 1.00 0.00 C ATOM 35 O4' DC A 2 -4.659 -0.763 6.786 1.00 0.00 O ATOM 36 C3' DC A 2 -2.448 -1.532 6.333 1.00 0.00 C ATOM 37 O3' DC A 2 -1.743 -0.403 5.829 1.00 0.00 O ATOM 38 C2' DC A 2 -2.677 -1.458 7.836 1.00 0.00 C ATOM 39 C1' DC A 2 -3.812 -0.448 7.878 1.00 0.00 C ATOM 40 N1 DC A 2 -4.520 -0.505 9.178 1.00 0.00 N ATOM 41 C2 DC A 2 -4.191 0.436 10.158 1.00 0.00 C ATOM 42 O2 DC A 2 -3.408 1.375 9.960 1.00 0.00 O ATOM 43 N3 DC A 2 -4.654 0.290 11.417 1.00 0.00 N ATOM 44 C4 DC A 2 -5.455 -0.719 11.705 1.00 0.00 C ATOM 45 N4 DC A 2 -5.933 -0.705 12.925 1.00 0.00 N ATOM 46 C5 DC A 2 -5.816 -1.717 10.749 1.00 0.00 C ATOM 47 C6 DC A 2 -5.324 -1.576 9.491 1.00 0.00 C ATOM 0 H5' DC A 2 -5.562 -2.670 5.175 1.00 0.00 H new ATOM 0 H5'' DC A 2 -3.999 -3.338 4.748 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.859 -0.962 4.845 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.862 -2.405 6.044 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.959 -2.420 8.263 1.00 0.00 H new ATOM 0 H2'' DC A 2 -1.794 -1.116 8.376 1.00 0.00 H new ATOM 0 H1' DC A 2 -3.448 0.576 7.790 1.00 0.00 H new ATOM 0 H41 DC A 2 -6.561 -1.446 13.235 1.00 0.00 H new ATOM 0 H42 DC A 2 -5.677 0.047 13.564 1.00 0.00 H new ATOM 0 H5 DC A 2 -6.453 -2.548 11.015 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.565 -2.307 8.734 1.00 0.00 H new ATOM 59 P DT A 3 -0.152 -0.242 5.999 1.00 0.00 P ATOM 60 OP1 DT A 3 0.295 0.857 5.108 1.00 0.00 O ATOM 61 OP2 DT A 3 0.474 -1.574 5.896 1.00 0.00 O ATOM 62 O5' DT A 3 -0.017 0.254 7.525 1.00 0.00 O ATOM 63 C5' DT A 3 0.665 1.434 7.927 1.00 0.00 C ATOM 64 C4' DT A 3 2.144 1.194 8.263 1.00 0.00 C ATOM 65 O4' DT A 3 2.260 0.079 9.126 1.00 0.00 O ATOM 66 C3' DT A 3 3.079 0.988 7.062 1.00 0.00 C ATOM 67 O3' DT A 3 4.145 1.933 7.039 1.00 0.00 O ATOM 68 C2' DT A 3 3.631 -0.417 7.281 1.00 0.00 C ATOM 69 C1' DT A 3 3.389 -0.685 8.767 1.00 0.00 C ATOM 70 N1 DT A 3 3.105 -2.118 9.039 1.00 0.00 N ATOM 71 C2 DT A 3 4.088 -2.884 9.674 1.00 0.00 C ATOM 72 O2 DT A 3 5.173 -2.439 10.033 1.00 0.00 O ATOM 73 N3 DT A 3 3.803 -4.218 9.870 1.00 0.00 N ATOM 74 C4 DT A 3 2.646 -4.864 9.483 1.00 0.00 C ATOM 75 O4 DT A 3 2.522 -6.053 9.760 1.00 0.00 O ATOM 76 C5 DT A 3 1.678 -4.016 8.788 1.00 0.00 C ATOM 77 C7 DT A 3 0.383 -4.606 8.257 1.00 0.00 C ATOM 78 C6 DT A 3 1.928 -2.693 8.605 1.00 0.00 C ATOM 0 H5' DT A 3 0.165 1.856 8.799 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.596 2.175 7.131 1.00 0.00 H new ATOM 0 H4' DT A 3 2.473 2.120 8.735 1.00 0.00 H new ATOM 0 H3' DT A 3 2.556 1.117 6.114 1.00 0.00 H new ATOM 0 H2' DT A 3 3.119 -1.148 6.655 1.00 0.00 H new ATOM 0 H2'' DT A 3 4.691 -0.472 7.033 1.00 0.00 H new ATOM 0 H1' DT A 3 4.280 -0.421 9.337 1.00 0.00 H new ATOM 0 H3 DT A 3 4.511 -4.779 10.344 1.00 0.00 H new ATOM 0 H71 DT A 3 -0.396 -3.844 8.269 1.00 0.00 H new ATOM 0 H72 DT A 3 0.534 -4.954 7.235 1.00 0.00 H new ATOM 0 H73 DT A 3 0.081 -5.444 8.885 1.00 0.00 H new ATOM 0 H6 DT A 3 1.190 -2.079 8.110 1.00 0.00 H new ATOM 91 P DG A 4 3.966 3.400 6.391 1.00 0.00 P ATOM 92 OP1 DG A 4 3.214 3.263 5.122 1.00 0.00 O ATOM 93 OP2 DG A 4 5.278 4.098 6.418 1.00 0.00 O ATOM 94 O5' DG A 4 3.017 4.154 7.444 1.00 0.00 O ATOM 95 C5' DG A 4 3.592 4.888 8.507 1.00 0.00 C ATOM 96 C4' DG A 4 2.617 5.223 9.630 1.00 0.00 C ATOM 97 O4' DG A 4 1.728 4.158 9.942 1.00 0.00 O ATOM 98 C3' DG A 4 3.405 5.516 10.907 1.00 0.00 C ATOM 99 O3' DG A 4 3.855 6.851 11.022 1.00 0.00 O ATOM 100 C2' DG A 4 2.348 5.216 11.945 1.00 0.00 C ATOM 101 C1' DG A 4 1.623 4.020 11.347 1.00 0.00 C ATOM 102 N9 DG A 4 2.211 2.718 11.738 1.00 0.00 N ATOM 103 C8 DG A 4 3.476 2.399 12.174 1.00 0.00 C ATOM 104 N7 DG A 4 3.657 1.132 12.420 1.00 0.00 N ATOM 105 C5 DG A 4 2.417 0.557 12.129 1.00 0.00 C ATOM 106 C6 DG A 4 1.953 -0.804 12.190 1.00 0.00 C ATOM 107 O6 DG A 4 2.540 -1.830 12.531 1.00 0.00 O ATOM 108 N1 DG A 4 0.638 -0.941 11.793 1.00 0.00 N ATOM 109 C2 DG A 4 -0.130 0.091 11.355 1.00 0.00 C ATOM 110 N2 DG A 4 -1.326 -0.191 10.908 1.00 0.00 N ATOM 111 N3 DG A 4 0.222 1.369 11.358 1.00 0.00 N ATOM 112 C4 DG A 4 1.525 1.532 11.730 1.00 0.00 C ATOM 0 H5' DG A 4 4.007 5.815 8.112 1.00 0.00 H new ATOM 0 H5'' DG A 4 4.424 4.317 8.920 1.00 0.00 H new ATOM 0 H4' DG A 4 2.035 6.076 9.281 1.00 0.00 H new ATOM 0 H3' DG A 4 4.330 4.944 10.976 1.00 0.00 H new ATOM 0 H2' DG A 4 2.788 4.980 12.914 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.677 6.062 12.096 1.00 0.00 H new ATOM 0 H1' DG A 4 0.595 4.015 11.711 1.00 0.00 H new ATOM 0 H8 DG A 4 4.254 3.137 12.302 1.00 0.00 H new ATOM 0 H1 DG A 4 0.219 -1.870 11.831 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.933 0.556 10.570 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.652 -1.158 10.897 1.00 0.00 H new HETATM 124 O5' 3DR A 5 6.113 6.427 12.047 1.00 0.00 O HETATM 125 P 3DR A 5 5.405 7.209 10.825 1.00 0.00 P HETATM 126 OP1 3DR A 5 5.524 8.666 11.063 1.00 0.00 O HETATM 127 OP2 3DR A 5 5.871 6.611 9.547 1.00 0.00 O HETATM 128 C2' 3DR A 5 5.336 6.414 16.510 1.00 0.00 C HETATM 129 C5' 3DR A 5 6.114 6.906 13.390 1.00 0.00 C HETATM 130 C4' 3DR A 5 4.811 6.589 14.158 1.00 0.00 C HETATM 131 O4' 3DR A 5 4.758 5.221 14.545 1.00 0.00 O HETATM 132 C1' 3DR A 5 5.460 5.083 15.770 1.00 0.00 C HETATM 133 C3' 3DR A 5 4.707 7.361 15.486 1.00 0.00 C HETATM 134 O3' 3DR A 5 3.367 7.631 15.890 1.00 0.00 O HETATM 0 H5'' 3DR A 5 6.957 6.467 13.923 1.00 0.00 H new HETATM 0 H4'1 3DR A 5 4.013 6.865 13.469 1.00 0.00 H new HETATM 0 H2'' 3DR A 5 4.712 6.318 17.398 1.00 0.00 H new HETATM 0 H1'2 3DR A 5 6.507 4.839 15.589 1.00 0.00 H new HETATM 0 H1'1 3DR A 5 5.042 4.271 16.365 1.00 0.00 H new HETATM 0 H5' 3DR A 5 6.269 7.985 13.383 1.00 0.00 H new HETATM 0 H3' 3DR A 5 5.189 8.334 15.392 1.00 0.00 H new HETATM 0 H2' 3DR A 5 6.309 6.777 16.842 1.00 0.00 H new ATOM 143 P DC A 6 2.388 8.615 15.078 1.00 0.00 P ATOM 144 OP1 DC A 6 3.198 9.485 14.192 1.00 0.00 O ATOM 145 OP2 DC A 6 1.423 9.206 16.039 1.00 0.00 O ATOM 146 O5' DC A 6 1.587 7.587 14.142 1.00 0.00 O ATOM 147 C5' DC A 6 0.449 7.979 13.382 1.00 0.00 C ATOM 148 C4' DC A 6 -0.746 7.060 13.683 1.00 0.00 C ATOM 149 O4' DC A 6 -0.423 5.692 13.442 1.00 0.00 O ATOM 150 C3' DC A 6 -1.165 7.198 15.148 1.00 0.00 C ATOM 151 O3' DC A 6 -2.570 7.321 15.272 1.00 0.00 O ATOM 152 C2' DC A 6 -0.627 5.925 15.781 1.00 0.00 C ATOM 153 C1' DC A 6 -0.724 4.946 14.608 1.00 0.00 C ATOM 154 N1 DC A 6 0.176 3.765 14.749 1.00 0.00 N ATOM 155 C2 DC A 6 -0.365 2.483 14.581 1.00 0.00 C ATOM 156 O2 DC A 6 -1.526 2.313 14.197 1.00 0.00 O ATOM 157 N3 DC A 6 0.390 1.379 14.820 1.00 0.00 N ATOM 158 C4 DC A 6 1.652 1.532 15.192 1.00 0.00 C ATOM 159 N4 DC A 6 2.362 0.444 15.360 1.00 0.00 N ATOM 160 C5 DC A 6 2.260 2.810 15.347 1.00 0.00 C ATOM 161 C6 DC A 6 1.498 3.905 15.109 1.00 0.00 C ATOM 0 H5' DC A 6 0.685 7.941 12.318 1.00 0.00 H new ATOM 0 H5'' DC A 6 0.188 9.012 13.614 1.00 0.00 H new ATOM 0 H4' DC A 6 -1.559 7.362 13.023 1.00 0.00 H new ATOM 0 H3' DC A 6 -0.776 8.094 15.631 1.00 0.00 H new ATOM 0 H2' DC A 6 0.397 6.043 16.135 1.00 0.00 H new ATOM 0 H2'' DC A 6 -1.225 5.605 16.634 1.00 0.00 H new ATOM 0 H1' DC A 6 -1.726 4.519 14.565 1.00 0.00 H new ATOM 0 H41 DC A 6 3.339 0.512 15.646 1.00 0.00 H new ATOM 0 H42 DC A 6 1.938 -0.471 15.205 1.00 0.00 H new ATOM 0 H5 DC A 6 3.294 2.904 15.644 1.00 0.00 H new ATOM 0 H6 DC A 6 1.929 4.891 15.202 1.00 0.00 H new ATOM 173 P DC A 7 -3.253 7.796 16.655 1.00 0.00 P ATOM 174 OP1 DC A 7 -4.522 8.461 16.307 1.00 0.00 O ATOM 175 OP2 DC A 7 -2.219 8.508 17.453 1.00 0.00 O ATOM 176 O5' DC A 7 -3.583 6.382 17.352 1.00 0.00 O ATOM 177 C5' DC A 7 -4.678 6.211 18.242 1.00 0.00 C ATOM 178 C4' DC A 7 -5.250 4.782 18.197 1.00 0.00 C ATOM 179 O4' DC A 7 -5.898 4.585 16.943 1.00 0.00 O ATOM 180 C3' DC A 7 -4.210 3.665 18.357 1.00 0.00 C ATOM 181 O3' DC A 7 -4.811 2.549 19.000 1.00 0.00 O ATOM 182 C2' DC A 7 -3.887 3.339 16.908 1.00 0.00 C ATOM 183 C1' DC A 7 -5.249 3.534 16.248 1.00 0.00 C ATOM 184 N1 DC A 7 -5.064 3.820 14.804 1.00 0.00 N ATOM 185 C2 DC A 7 -4.901 2.731 13.943 1.00 0.00 C ATOM 186 O2 DC A 7 -5.079 1.564 14.310 1.00 0.00 O ATOM 187 N3 DC A 7 -4.486 2.945 12.670 1.00 0.00 N ATOM 188 C4 DC A 7 -4.333 4.174 12.223 1.00 0.00 C ATOM 189 N4 DC A 7 -3.932 4.242 10.976 1.00 0.00 N ATOM 190 C5 DC A 7 -4.521 5.324 13.046 1.00 0.00 C ATOM 191 C6 DC A 7 -4.871 5.104 14.342 1.00 0.00 C ATOM 0 H5' DC A 7 -5.464 6.923 17.989 1.00 0.00 H new ATOM 0 H5'' DC A 7 -4.357 6.439 19.258 1.00 0.00 H new ATOM 0 H4' DC A 7 -5.928 4.711 19.048 1.00 0.00 H new ATOM 0 H3' DC A 7 -3.337 3.932 18.952 1.00 0.00 H new ATOM 0 H2' DC A 7 -3.131 4.006 16.495 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.514 2.322 16.789 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.869 2.639 16.304 1.00 0.00 H new ATOM 0 H41 DC A 7 -3.784 5.151 10.537 1.00 0.00 H new ATOM 0 H42 DC A 7 -3.768 3.386 10.446 1.00 0.00 H new ATOM 0 H5 DC A 7 -4.391 6.323 12.658 1.00 0.00 H new ATOM 0 H6 DC A 7 -4.998 5.941 15.013 1.00 0.00 H new ATOM 203 P DT A 8 -3.934 1.390 19.690 1.00 0.00 P ATOM 204 OP1 DT A 8 -4.861 0.474 20.396 1.00 0.00 O ATOM 205 OP2 DT A 8 -2.817 2.019 20.422 1.00 0.00 O ATOM 206 O5' DT A 8 -3.275 0.589 18.457 1.00 0.00 O ATOM 207 C5' DT A 8 -3.906 -0.480 17.768 1.00 0.00 C ATOM 208 C4' DT A 8 -3.131 -1.791 17.975 1.00 0.00 C ATOM 209 O4' DT A 8 -1.787 -1.638 17.534 1.00 0.00 O ATOM 210 C3' DT A 8 -3.085 -2.233 19.443 1.00 0.00 C ATOM 211 O3' DT A 8 -3.288 -3.628 19.590 1.00 0.00 O ATOM 212 C2' DT A 8 -1.686 -1.855 19.899 1.00 0.00 C ATOM 213 C1' DT A 8 -0.889 -1.908 18.597 1.00 0.00 C ATOM 214 N1 DT A 8 0.246 -0.941 18.576 1.00 0.00 N ATOM 215 C2 DT A 8 1.544 -1.440 18.409 1.00 0.00 C ATOM 216 O2 DT A 8 1.801 -2.632 18.217 1.00 0.00 O ATOM 217 N3 DT A 8 2.572 -0.519 18.437 1.00 0.00 N ATOM 218 C4 DT A 8 2.429 0.851 18.541 1.00 0.00 C ATOM 219 O4 DT A 8 3.436 1.547 18.470 1.00 0.00 O ATOM 220 C5 DT A 8 1.051 1.309 18.710 1.00 0.00 C ATOM 221 C7 DT A 8 0.745 2.789 18.867 1.00 0.00 C ATOM 222 C6 DT A 8 0.028 0.415 18.729 1.00 0.00 C ATOM 0 H5' DT A 8 -3.964 -0.250 16.704 1.00 0.00 H new ATOM 0 H5'' DT A 8 -4.929 -0.596 18.125 1.00 0.00 H new ATOM 0 H4' DT A 8 -3.661 -2.549 17.398 1.00 0.00 H new ATOM 0 H3' DT A 8 -3.875 -1.761 20.027 1.00 0.00 H new ATOM 0 H2' DT A 8 -1.660 -0.863 20.351 1.00 0.00 H new ATOM 0 H2'' DT A 8 -1.298 -2.553 20.641 1.00 0.00 H new ATOM 0 H1' DT A 8 -0.443 -2.897 18.497 1.00 0.00 H new ATOM 0 H3 DT A 8 3.523 -0.883 18.375 1.00 0.00 H new ATOM 0 H71 DT A 8 -0.244 3.001 18.460 1.00 0.00 H new ATOM 0 H72 DT A 8 0.767 3.055 19.924 1.00 0.00 H new ATOM 0 H73 DT A 8 1.492 3.374 18.330 1.00 0.00 H new ATOM 0 H6 DT A 8 -0.981 0.773 18.867 1.00 0.00 H new ATOM 235 P DG A 9 -4.775 -4.260 19.633 1.00 0.00 P ATOM 236 OP1 DG A 9 -5.686 -3.222 20.179 1.00 0.00 O ATOM 237 OP2 DG A 9 -4.697 -5.584 20.278 1.00 0.00 O ATOM 238 O5' DG A 9 -5.151 -4.464 18.080 1.00 0.00 O ATOM 239 C5' DG A 9 -4.711 -5.596 17.348 1.00 0.00 C ATOM 240 C4' DG A 9 -5.448 -5.635 16.001 1.00 0.00 C ATOM 241 O4' DG A 9 -4.915 -4.700 15.075 1.00 0.00 O ATOM 242 C3' DG A 9 -5.329 -6.980 15.280 1.00 0.00 C ATOM 243 O3' DG A 9 -6.462 -7.209 14.461 1.00 0.00 O ATOM 244 C2' DG A 9 -4.093 -6.815 14.403 1.00 0.00 C ATOM 245 C1' DG A 9 -3.867 -5.297 14.325 1.00 0.00 C ATOM 246 N9 DG A 9 -2.534 -4.810 14.786 1.00 0.00 N ATOM 247 C8 DG A 9 -1.432 -5.506 15.245 1.00 0.00 C ATOM 248 N7 DG A 9 -0.367 -4.778 15.450 1.00 0.00 N ATOM 249 C5 DG A 9 -0.790 -3.499 15.083 1.00 0.00 C ATOM 250 C6 DG A 9 -0.067 -2.263 15.050 1.00 0.00 C ATOM 251 O6 DG A 9 1.113 -2.069 15.338 1.00 0.00 O ATOM 252 N1 DG A 9 -0.835 -1.187 14.670 1.00 0.00 N ATOM 253 C2 DG A 9 -2.156 -1.277 14.363 1.00 0.00 C ATOM 254 N2 DG A 9 -2.784 -0.133 14.223 1.00 0.00 N ATOM 255 N3 DG A 9 -2.851 -2.413 14.324 1.00 0.00 N ATOM 256 C4 DG A 9 -2.113 -3.500 14.705 1.00 0.00 C ATOM 0 H5' DG A 9 -4.907 -6.508 17.911 1.00 0.00 H new ATOM 0 H5'' DG A 9 -3.634 -5.546 17.187 1.00 0.00 H new ATOM 0 H4' DG A 9 -6.481 -5.419 16.274 1.00 0.00 H new ATOM 0 H3' DG A 9 -5.261 -7.818 15.973 1.00 0.00 H new ATOM 0 H2' DG A 9 -3.230 -7.322 14.836 1.00 0.00 H new ATOM 0 H2'' DG A 9 -4.250 -7.243 13.413 1.00 0.00 H new ATOM 0 HO3' DG A 9 -6.368 -8.072 14.007 1.00 0.00 H new ATOM 0 H1' DG A 9 -3.877 -5.011 13.273 1.00 0.00 H new ATOM 0 H8 DG A 9 -1.450 -6.571 15.421 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.389 -0.271 14.616 1.00 0.00 H new ATOM 0 H21 DG A 9 -3.778 -0.121 13.992 1.00 0.00 H new ATOM 0 H22 DG A 9 -2.278 0.744 14.345 1.00 0.00 H new TER 269 DG A 9 HETATM 270 NA NA A 101 1.391 2.503 4.164 1.00 0.00 NA HETATM 271 NA NA A 102 4.157 9.912 12.257 1.00 0.00 NA HETATM 272 NA NA A 103 -6.171 -1.213 20.909 1.00 0.00 NA HETATM 273 NA NA A 104 6.431 5.526 7.681 1.00 0.00 NA HETATM 274 NA NA A 105 -2.629 1.517 12.267 1.00 0.00 NA HETATM 275 NA NA A 106 1.804 -4.052 16.403 1.00 0.00 NA HETATM 276 NA NA A 107 -6.889 -6.101 4.637 1.00 0.00 NA HETATM 277 NA NA A 108 -0.186 9.385 17.558 1.00 0.00 NA