USER MOD reduce.3.24.130724 H: found=0, std=0, add=241, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 241 hydrogens (18 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 17:sc= 1.31 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.44! (180deg=-7.42!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.362 -3.837 -7.471 1.00 0.00 O ATOM 2 C5' DG A 1 3.297 -3.958 -8.892 1.00 0.00 C ATOM 3 C4' DG A 1 1.880 -3.715 -9.413 1.00 0.00 C ATOM 4 O4' DG A 1 0.974 -4.639 -8.814 1.00 0.00 O ATOM 5 C3' DG A 1 1.334 -2.332 -9.116 1.00 0.00 C ATOM 6 O3' DG A 1 1.695 -1.430 -10.166 1.00 0.00 O ATOM 7 C2' DG A 1 -0.173 -2.544 -9.109 1.00 0.00 C ATOM 8 C1' DG A 1 -0.329 -4.032 -8.794 1.00 0.00 C ATOM 9 N9 DG A 1 -0.932 -4.288 -7.472 1.00 0.00 N ATOM 10 C8 DG A 1 -2.244 -4.212 -7.100 1.00 0.00 C ATOM 11 N7 DG A 1 -2.480 -4.468 -5.848 1.00 0.00 N ATOM 12 C5 DG A 1 -1.213 -4.742 -5.335 1.00 0.00 C ATOM 13 C6 DG A 1 -0.824 -5.092 -4.013 1.00 0.00 C ATOM 14 O6 DG A 1 -1.533 -5.226 -3.018 1.00 0.00 O ATOM 15 N1 DG A 1 0.549 -5.285 -3.922 1.00 0.00 N ATOM 16 C2 DG A 1 1.439 -5.159 -4.968 1.00 0.00 C ATOM 17 N2 DG A 1 2.720 -5.389 -4.681 1.00 0.00 N ATOM 18 N3 DG A 1 1.077 -4.828 -6.212 1.00 0.00 N ATOM 19 C4 DG A 1 -0.259 -4.636 -6.323 1.00 0.00 C ATOM 0 H5' DG A 1 3.629 -4.953 -9.189 1.00 0.00 H new ATOM 0 H5'' DG A 1 3.981 -3.244 -9.350 1.00 0.00 H new ATOM 0 H4' DG A 1 1.958 -3.834 -10.494 1.00 0.00 H new ATOM 0 H3' DG A 1 1.714 -1.909 -8.186 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.661 -1.923 -8.358 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.617 -2.290 -10.071 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.458 -3.886 -7.097 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.996 -4.452 -9.546 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.029 -3.957 -7.797 1.00 0.00 H new ATOM 0 H1 DG A 1 0.928 -5.540 -3.010 1.00 0.00 H new ATOM 0 H21 DG A 1 3.428 -5.312 -5.411 1.00 0.00 H new ATOM 0 H22 DG A 1 2.992 -5.642 -3.731 1.00 0.00 H new ATOM 32 P DG A 2 1.919 0.133 -9.849 1.00 0.00 P ATOM 33 OP1 DG A 2 2.297 0.815 -11.107 1.00 0.00 O ATOM 34 OP2 DG A 2 2.793 0.239 -8.660 1.00 0.00 O ATOM 35 O5' DG A 2 0.440 0.621 -9.433 1.00 0.00 O ATOM 36 C5' DG A 2 -0.619 0.621 -10.395 1.00 0.00 C ATOM 37 C4' DG A 2 -1.992 0.712 -9.730 1.00 0.00 C ATOM 38 O4' DG A 2 -2.178 -0.381 -8.842 1.00 0.00 O ATOM 39 C3' DG A 2 -2.202 1.975 -8.905 1.00 0.00 C ATOM 40 O3' DG A 2 -2.770 3.000 -9.721 1.00 0.00 O ATOM 41 C2' DG A 2 -3.194 1.546 -7.841 1.00 0.00 C ATOM 42 C1' DG A 2 -2.886 0.061 -7.672 1.00 0.00 C ATOM 43 N9 DG A 2 -2.037 -0.228 -6.499 1.00 0.00 N ATOM 44 C8 DG A 2 -0.675 -0.251 -6.407 1.00 0.00 C ATOM 45 N7 DG A 2 -0.204 -0.509 -5.222 1.00 0.00 N ATOM 46 C5 DG A 2 -1.354 -0.675 -4.452 1.00 0.00 C ATOM 47 C6 DG A 2 -1.490 -0.974 -3.067 1.00 0.00 C ATOM 48 O6 DG A 2 -0.603 -1.147 -2.234 1.00 0.00 O ATOM 49 N1 DG A 2 -2.825 -1.056 -2.692 1.00 0.00 N ATOM 50 C2 DG A 2 -3.899 -0.873 -3.540 1.00 0.00 C ATOM 51 N2 DG A 2 -5.110 -0.996 -2.994 1.00 0.00 N ATOM 52 N3 DG A 2 -3.776 -0.590 -4.840 1.00 0.00 N ATOM 53 C4 DG A 2 -2.481 -0.507 -5.226 1.00 0.00 C ATOM 0 H5' DG A 2 -0.565 -0.288 -10.994 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.490 1.461 -11.078 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.703 0.712 -10.556 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.277 2.374 -8.489 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.053 2.097 -6.911 1.00 0.00 H new ATOM 0 H2'' DG A 2 -4.224 1.712 -8.157 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.836 -0.454 -7.529 1.00 0.00 H new ATOM 0 H8 DG A 2 -0.034 -0.068 -7.257 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.027 -1.268 -1.715 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.944 -0.872 -3.569 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.202 -1.214 -2.002 1.00 0.00 H new ATOM 65 P DG A 3 -2.631 4.542 -9.285 1.00 0.00 P ATOM 66 OP1 DG A 3 -3.021 5.385 -10.437 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.307 4.724 -8.650 1.00 0.00 O ATOM 68 O5' DG A 3 -3.764 4.685 -8.150 1.00 0.00 O ATOM 69 C5' DG A 3 -5.145 4.535 -8.485 1.00 0.00 C ATOM 70 C4' DG A 3 -6.050 4.800 -7.286 1.00 0.00 C ATOM 71 O4' DG A 3 -5.796 3.854 -6.260 1.00 0.00 O ATOM 72 C3' DG A 3 -5.869 6.187 -6.674 1.00 0.00 C ATOM 73 O3' DG A 3 -6.910 7.051 -7.141 1.00 0.00 O ATOM 74 C2' DG A 3 -6.015 5.978 -5.173 1.00 0.00 C ATOM 75 C1' DG A 3 -5.851 4.475 -4.971 1.00 0.00 C ATOM 76 N9 DG A 3 -4.622 4.099 -4.246 1.00 0.00 N ATOM 77 C8 DG A 3 -3.326 4.117 -4.680 1.00 0.00 C ATOM 78 N7 DG A 3 -2.445 3.737 -3.804 1.00 0.00 N ATOM 79 C5 DG A 3 -3.217 3.437 -2.684 1.00 0.00 C ATOM 80 C6 DG A 3 -2.818 2.967 -1.404 1.00 0.00 C ATOM 81 O6 DG A 3 -1.682 2.723 -1.002 1.00 0.00 O ATOM 82 N1 DG A 3 -3.909 2.790 -0.564 1.00 0.00 N ATOM 83 C2 DG A 3 -5.223 3.032 -0.909 1.00 0.00 C ATOM 84 N2 DG A 3 -6.134 2.799 0.035 1.00 0.00 N ATOM 85 N3 DG A 3 -5.602 3.474 -2.112 1.00 0.00 N ATOM 86 C4 DG A 3 -4.552 3.655 -2.947 1.00 0.00 C ATOM 0 H5' DG A 3 -5.321 3.526 -8.858 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.400 5.222 -9.292 1.00 0.00 H new ATOM 0 H4' DG A 3 -7.067 4.723 -7.672 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.911 6.636 -6.937 1.00 0.00 H new ATOM 0 H2' DG A 3 -5.259 6.536 -4.621 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.987 6.321 -4.819 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.699 4.146 -4.370 1.00 0.00 H new ATOM 0 H8 DG A 3 -3.054 4.425 -5.679 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.725 2.455 0.382 1.00 0.00 H new ATOM 0 H21 DG A 3 -7.122 2.959 -0.160 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.843 2.461 0.952 1.00 0.00 H new ATOM 98 P DG A 4 -6.635 8.083 -8.347 1.00 0.00 P ATOM 99 OP1 DG A 4 -5.219 8.508 -8.276 1.00 0.00 O ATOM 100 OP2 DG A 4 -7.712 9.098 -8.342 1.00 0.00 O ATOM 101 O5' DG A 4 -6.821 7.157 -9.651 1.00 0.00 O ATOM 102 C5' DG A 4 -8.126 6.904 -10.178 1.00 0.00 C ATOM 103 C4' DG A 4 -8.057 6.270 -11.565 1.00 0.00 C ATOM 104 O4' DG A 4 -7.429 7.180 -12.462 1.00 0.00 O ATOM 105 C3' DG A 4 -7.275 4.966 -11.602 1.00 0.00 C ATOM 106 O3' DG A 4 -7.920 4.055 -12.501 1.00 0.00 O ATOM 107 C2' DG A 4 -5.906 5.346 -12.149 1.00 0.00 C ATOM 108 C1' DG A 4 -6.101 6.732 -12.762 1.00 0.00 C ATOM 109 N9 DG A 4 -5.164 7.746 -12.245 1.00 0.00 N ATOM 110 C8 DG A 4 -4.685 7.908 -10.977 1.00 0.00 C ATOM 111 N7 DG A 4 -3.865 8.904 -10.820 1.00 0.00 N ATOM 112 C5 DG A 4 -3.790 9.458 -12.096 1.00 0.00 C ATOM 113 C6 DG A 4 -3.049 10.578 -12.559 1.00 0.00 C ATOM 114 O6 DG A 4 -2.299 11.313 -11.919 1.00 0.00 O ATOM 115 N1 DG A 4 -3.254 10.800 -13.914 1.00 0.00 N ATOM 116 C2 DG A 4 -4.071 10.040 -14.727 1.00 0.00 C ATOM 117 N2 DG A 4 -4.142 10.408 -16.006 1.00 0.00 N ATOM 118 N3 DG A 4 -4.770 8.986 -14.295 1.00 0.00 N ATOM 119 C4 DG A 4 -4.582 8.754 -12.974 1.00 0.00 C ATOM 0 H5' DG A 4 -8.685 7.838 -10.231 1.00 0.00 H new ATOM 0 H5'' DG A 4 -8.671 6.245 -9.502 1.00 0.00 H new ATOM 0 H4' DG A 4 -9.085 6.047 -11.852 1.00 0.00 H new ATOM 0 H3' DG A 4 -7.209 4.487 -10.625 1.00 0.00 H new ATOM 0 H2' DG A 4 -5.156 5.365 -11.359 1.00 0.00 H new ATOM 0 H2'' DG A 4 -5.565 4.628 -12.895 1.00 0.00 H new ATOM 0 H1' DG A 4 -5.919 6.628 -13.832 1.00 0.00 H new ATOM 0 H8 DG A 4 -4.967 7.256 -10.164 1.00 0.00 H new ATOM 0 H1 DG A 4 -2.763 11.585 -14.342 1.00 0.00 H new ATOM 0 H21 DG A 4 -4.729 9.885 -16.655 1.00 0.00 H new ATOM 0 H22 DG A 4 -3.609 11.213 -16.335 1.00 0.00 H new ATOM 131 P DC A 5 -9.079 3.070 -11.972 1.00 0.00 P ATOM 132 OP1 DC A 5 -9.742 2.464 -13.149 1.00 0.00 O ATOM 133 OP2 DC A 5 -9.883 3.800 -10.968 1.00 0.00 O ATOM 134 O5' DC A 5 -8.248 1.917 -11.213 1.00 0.00 O ATOM 135 C5' DC A 5 -7.261 1.157 -11.913 1.00 0.00 C ATOM 136 C4' DC A 5 -6.742 -0.014 -11.075 1.00 0.00 C ATOM 137 O4' DC A 5 -6.250 0.412 -9.821 1.00 0.00 O ATOM 138 C3' DC A 5 -7.804 -1.069 -10.754 1.00 0.00 C ATOM 139 O3' DC A 5 -7.707 -2.124 -11.721 1.00 0.00 O ATOM 140 C2' DC A 5 -7.443 -1.607 -9.381 1.00 0.00 C ATOM 141 C1' DC A 5 -6.295 -0.715 -8.940 1.00 0.00 C ATOM 142 N1 DC A 5 -6.414 -0.214 -7.556 1.00 0.00 N ATOM 143 C2 DC A 5 -6.069 -1.086 -6.536 1.00 0.00 C ATOM 144 O2 DC A 5 -5.692 -2.225 -6.803 1.00 0.00 O ATOM 145 N3 DC A 5 -6.143 -0.642 -5.251 1.00 0.00 N ATOM 146 C4 DC A 5 -6.538 0.610 -4.977 1.00 0.00 C ATOM 147 N4 DC A 5 -6.596 1.016 -3.706 1.00 0.00 N ATOM 148 C5 DC A 5 -6.897 1.514 -6.029 1.00 0.00 C ATOM 149 C6 DC A 5 -6.821 1.063 -7.296 1.00 0.00 C ATOM 0 H5' DC A 5 -6.428 1.806 -12.185 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.686 0.778 -12.842 1.00 0.00 H new ATOM 0 H4' DC A 5 -5.961 -0.445 -11.702 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.815 -0.663 -10.775 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.286 -1.546 -8.692 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.143 -2.654 -9.426 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.390 -1.322 -8.975 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.895 1.966 -3.487 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.341 0.376 -2.954 1.00 0.00 H new ATOM 0 H5 DC A 5 -7.218 2.523 -5.814 1.00 0.00 H new ATOM 0 H6 DC A 5 -7.084 1.718 -8.114 1.00 0.00 H new ATOM 161 P DG A 6 -8.944 -3.129 -11.972 1.00 0.00 P ATOM 162 OP1 DG A 6 -8.634 -3.955 -13.160 1.00 0.00 O ATOM 163 OP2 DG A 6 -10.195 -2.339 -11.931 1.00 0.00 O ATOM 164 O5' DG A 6 -8.903 -4.083 -10.669 1.00 0.00 O ATOM 165 C5' DG A 6 -9.969 -5.006 -10.416 1.00 0.00 C ATOM 166 C4' DG A 6 -9.798 -5.745 -9.088 1.00 0.00 C ATOM 167 O4' DG A 6 -8.610 -6.528 -9.081 1.00 0.00 O ATOM 168 C3' DG A 6 -9.688 -4.846 -7.870 1.00 0.00 C ATOM 169 O3' DG A 6 -10.996 -4.517 -7.395 1.00 0.00 O ATOM 170 C2' DG A 6 -8.977 -5.726 -6.850 1.00 0.00 C ATOM 171 C1' DG A 6 -8.213 -6.732 -7.717 1.00 0.00 C ATOM 172 N9 DG A 6 -6.755 -6.577 -7.636 1.00 0.00 N ATOM 173 C8 DG A 6 -5.927 -5.811 -8.404 1.00 0.00 C ATOM 174 N7 DG A 6 -4.671 -5.860 -8.077 1.00 0.00 N ATOM 175 C5 DG A 6 -4.660 -6.735 -6.991 1.00 0.00 C ATOM 176 C6 DG A 6 -3.573 -7.187 -6.198 1.00 0.00 C ATOM 177 O6 DG A 6 -2.384 -6.896 -6.299 1.00 0.00 O ATOM 178 N1 DG A 6 -3.995 -8.061 -5.204 1.00 0.00 N ATOM 179 C2 DG A 6 -5.300 -8.455 -4.997 1.00 0.00 C ATOM 180 N2 DG A 6 -5.507 -9.303 -3.987 1.00 0.00 N ATOM 181 N3 DG A 6 -6.326 -8.032 -5.741 1.00 0.00 N ATOM 182 C4 DG A 6 -5.933 -7.178 -6.716 1.00 0.00 C ATOM 0 H5' DG A 6 -10.018 -5.731 -11.228 1.00 0.00 H new ATOM 0 H5'' DG A 6 -10.917 -4.469 -10.410 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.706 -6.344 -9.018 1.00 0.00 H new ATOM 0 H3' DG A 6 -9.169 -3.908 -8.069 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.303 -5.146 -6.220 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.684 -6.224 -6.187 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.453 -7.731 -7.353 1.00 0.00 H new ATOM 0 H8 DG A 6 -6.289 -5.208 -9.224 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.284 -8.441 -4.579 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.451 -9.632 -3.782 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.722 -9.622 -3.420 1.00 0.00 H new ATOM 194 P DG A 7 -11.269 -3.111 -6.656 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.734 -2.896 -6.610 1.00 0.00 O ATOM 196 OP2 DG A 7 -10.391 -2.087 -7.261 1.00 0.00 O ATOM 197 O5' DG A 7 -10.754 -3.395 -5.154 1.00 0.00 O ATOM 198 C5' DG A 7 -11.429 -4.355 -4.342 1.00 0.00 C ATOM 199 C4' DG A 7 -10.997 -4.296 -2.875 1.00 0.00 C ATOM 200 O4' DG A 7 -9.692 -4.872 -2.637 1.00 0.00 O ATOM 201 C3' DG A 7 -10.938 -2.891 -2.265 1.00 0.00 C ATOM 202 O3' DG A 7 -12.148 -2.640 -1.537 1.00 0.00 O ATOM 203 C2' DG A 7 -9.754 -2.966 -1.292 1.00 0.00 C ATOM 204 C1' DG A 7 -9.431 -4.453 -1.306 1.00 0.00 C ATOM 205 N9 DG A 7 -8.048 -4.823 -0.916 1.00 0.00 N ATOM 206 C8 DG A 7 -7.619 -5.237 0.312 1.00 0.00 C ATOM 207 N7 DG A 7 -6.351 -5.472 0.410 1.00 0.00 N ATOM 208 C5 DG A 7 -5.869 -5.195 -0.864 1.00 0.00 C ATOM 209 C6 DG A 7 -4.540 -5.275 -1.358 1.00 0.00 C ATOM 210 O6 DG A 7 -3.522 -5.600 -0.753 1.00 0.00 O ATOM 211 N1 DG A 7 -4.470 -4.917 -2.694 1.00 0.00 N ATOM 212 C2 DG A 7 -5.547 -4.529 -3.467 1.00 0.00 C ATOM 213 N2 DG A 7 -5.273 -4.227 -4.735 1.00 0.00 N ATOM 214 N3 DG A 7 -6.808 -4.449 -3.006 1.00 0.00 N ATOM 215 C4 DG A 7 -6.897 -4.796 -1.697 1.00 0.00 C ATOM 0 H5' DG A 7 -11.238 -5.354 -4.733 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.504 -4.188 -4.407 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.789 -4.873 -2.399 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.828 -2.101 -3.008 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.911 -2.362 -1.627 1.00 0.00 H new ATOM 0 H2'' DG A 7 -10.021 -2.615 -0.295 1.00 0.00 H new ATOM 0 H1' DG A 7 -10.041 -4.945 -0.549 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.294 -5.360 1.146 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.554 -4.942 -3.141 1.00 0.00 H new ATOM 0 H21 DG A 7 -6.021 -3.933 -5.362 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.315 -4.290 -5.079 1.00 0.00 H new ATOM 227 P DG A 8 -12.505 -1.163 -1.009 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.918 -1.165 -0.569 1.00 0.00 O ATOM 229 OP2 DG A 8 -12.049 -0.187 -2.023 1.00 0.00 O ATOM 230 O5' DG A 8 -11.570 -1.016 0.295 1.00 0.00 O ATOM 231 C5' DG A 8 -11.774 -1.867 1.425 1.00 0.00 C ATOM 232 C4' DG A 8 -10.589 -1.837 2.385 1.00 0.00 C ATOM 233 O4' DG A 8 -9.402 -2.271 1.747 1.00 0.00 O ATOM 234 C3' DG A 8 -10.271 -0.458 2.944 1.00 0.00 C ATOM 235 O3' DG A 8 -10.940 -0.279 4.195 1.00 0.00 O ATOM 236 C2' DG A 8 -8.761 -0.486 3.172 1.00 0.00 C ATOM 237 C1' DG A 8 -8.314 -1.811 2.549 1.00 0.00 C ATOM 238 N9 DG A 8 -7.120 -1.712 1.690 1.00 0.00 N ATOM 239 C8 DG A 8 -7.025 -1.354 0.375 1.00 0.00 C ATOM 240 N7 DG A 8 -5.817 -1.348 -0.108 1.00 0.00 N ATOM 241 C5 DG A 8 -5.036 -1.738 0.980 1.00 0.00 C ATOM 242 C6 DG A 8 -3.629 -1.916 1.076 1.00 0.00 C ATOM 243 O6 DG A 8 -2.777 -1.759 0.203 1.00 0.00 O ATOM 244 N1 DG A 8 -3.252 -2.318 2.352 1.00 0.00 N ATOM 245 C2 DG A 8 -4.119 -2.524 3.406 1.00 0.00 C ATOM 246 N2 DG A 8 -3.571 -2.915 4.556 1.00 0.00 N ATOM 247 N3 DG A 8 -5.441 -2.354 3.320 1.00 0.00 N ATOM 248 C4 DG A 8 -5.828 -1.963 2.083 1.00 0.00 C ATOM 0 H5' DG A 8 -11.938 -2.889 1.084 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.676 -1.558 1.953 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.897 -2.497 3.196 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.585 0.348 2.281 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.270 0.363 2.697 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.517 -0.442 4.233 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.045 -2.485 3.363 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.889 -1.095 -0.220 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.258 -2.473 2.523 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.161 -3.083 5.371 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.562 -3.046 4.621 1.00 0.00 H new ATOM 260 P DG A 9 -10.856 1.132 4.963 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.938 1.178 5.972 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.751 2.202 3.945 1.00 0.00 O ATOM 263 O5' DG A 9 -9.445 1.033 5.737 1.00 0.00 O ATOM 264 C5' DG A 9 -9.178 -0.055 6.628 1.00 0.00 C ATOM 265 C4' DG A 9 -7.701 -0.118 7.023 1.00 0.00 C ATOM 266 O4' DG A 9 -6.879 -0.086 5.840 1.00 0.00 O ATOM 267 C3' DG A 9 -7.231 1.060 7.895 1.00 0.00 C ATOM 268 O3' DG A 9 -6.303 0.592 8.884 1.00 0.00 O ATOM 269 C2' DG A 9 -6.477 1.929 6.909 1.00 0.00 C ATOM 270 C1' DG A 9 -5.829 0.841 6.094 1.00 0.00 C ATOM 271 N9 DG A 9 -5.220 1.262 4.823 1.00 0.00 N ATOM 272 C8 DG A 9 -5.796 1.723 3.676 1.00 0.00 C ATOM 273 N7 DG A 9 -4.960 2.024 2.725 1.00 0.00 N ATOM 274 C5 DG A 9 -3.717 1.735 3.291 1.00 0.00 C ATOM 275 C6 DG A 9 -2.407 1.856 2.747 1.00 0.00 C ATOM 276 O6 DG A 9 -2.077 2.256 1.633 1.00 0.00 O ATOM 277 N1 DG A 9 -1.437 1.454 3.661 1.00 0.00 N ATOM 278 C2 DG A 9 -1.693 0.994 4.936 1.00 0.00 C ATOM 279 N2 DG A 9 -0.635 0.649 5.670 1.00 0.00 N ATOM 280 N3 DG A 9 -2.917 0.882 5.446 1.00 0.00 N ATOM 281 C4 DG A 9 -3.874 1.269 4.574 1.00 0.00 C ATOM 0 H5' DG A 9 -9.467 -0.993 6.153 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.790 0.051 7.524 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.601 -1.041 7.594 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.049 1.565 8.409 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.135 2.565 6.317 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.752 2.584 7.392 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.985 0.441 6.655 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.865 1.830 3.565 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.462 1.503 3.365 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.765 0.302 6.620 1.00 0.00 H new ATOM 0 H22 DG A 9 0.304 0.732 5.281 1.00 0.00 H new ATOM 293 P DC A 10 -6.801 -0.050 10.272 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.056 0.621 10.671 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.650 -0.082 11.203 1.00 0.00 O ATOM 296 O5' DC A 10 -7.143 -1.564 9.848 1.00 0.00 O ATOM 297 C5' DC A 10 -6.090 -2.498 9.591 1.00 0.00 C ATOM 298 C4' DC A 10 -6.632 -3.913 9.423 1.00 0.00 C ATOM 299 O4' DC A 10 -7.230 -4.339 10.649 1.00 0.00 O ATOM 300 C3' DC A 10 -7.691 -4.030 8.340 1.00 0.00 C ATOM 301 O3' DC A 10 -7.621 -5.328 7.742 1.00 0.00 O ATOM 302 C2' DC A 10 -9.000 -3.881 9.096 1.00 0.00 C ATOM 303 C1' DC A 10 -8.657 -4.358 10.506 1.00 0.00 C ATOM 304 N1 DC A 10 -9.220 -3.518 11.583 1.00 0.00 N ATOM 305 C2 DC A 10 -10.496 -3.822 12.030 1.00 0.00 C ATOM 306 O2 DC A 10 -11.119 -4.752 11.524 1.00 0.00 O ATOM 307 N3 DC A 10 -11.025 -3.070 13.034 1.00 0.00 N ATOM 308 C4 DC A 10 -10.331 -2.061 13.577 1.00 0.00 C ATOM 309 N4 DC A 10 -10.879 -1.345 14.561 1.00 0.00 N ATOM 310 C5 DC A 10 -9.013 -1.742 13.118 1.00 0.00 C ATOM 311 C6 DC A 10 -8.499 -2.493 12.123 1.00 0.00 C ATOM 0 H5' DC A 10 -5.373 -2.476 10.412 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.552 -2.203 8.690 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.781 -4.532 9.137 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.575 -3.295 7.544 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.348 -2.848 9.096 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.791 -4.484 8.650 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.090 -5.353 10.611 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.359 -0.575 14.982 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.817 -1.568 14.892 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.451 -0.929 13.553 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.508 -2.281 11.750 1.00 0.00 H new ATOM 323 P DG A 11 -6.790 -5.552 6.382 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.704 -4.256 5.672 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.343 -6.739 5.691 1.00 0.00 O ATOM 326 O5' DG A 11 -5.321 -5.924 6.925 1.00 0.00 O ATOM 327 C5' DG A 11 -5.132 -7.078 7.745 1.00 0.00 C ATOM 328 C4' DG A 11 -3.656 -7.424 7.917 1.00 0.00 C ATOM 329 O4' DG A 11 -3.081 -7.878 6.685 1.00 0.00 O ATOM 330 C3' DG A 11 -2.786 -6.268 8.383 1.00 0.00 C ATOM 331 O3' DG A 11 -2.757 -6.230 9.815 1.00 0.00 O ATOM 332 C2' DG A 11 -1.399 -6.617 7.849 1.00 0.00 C ATOM 333 C1' DG A 11 -1.666 -7.724 6.821 1.00 0.00 C ATOM 334 N9 DG A 11 -1.098 -7.440 5.490 1.00 0.00 N ATOM 335 C8 DG A 11 0.197 -7.552 5.078 1.00 0.00 C ATOM 336 N7 DG A 11 0.419 -7.220 3.843 1.00 0.00 N ATOM 337 C5 DG A 11 -0.842 -6.849 3.384 1.00 0.00 C ATOM 338 C6 DG A 11 -1.240 -6.388 2.100 1.00 0.00 C ATOM 339 O6 DG A 11 -0.543 -6.216 1.103 1.00 0.00 O ATOM 340 N1 DG A 11 -2.602 -6.123 2.053 1.00 0.00 N ATOM 341 C2 DG A 11 -3.476 -6.282 3.108 1.00 0.00 C ATOM 342 N2 DG A 11 -4.750 -5.971 2.867 1.00 0.00 N ATOM 343 N3 DG A 11 -3.107 -6.717 4.319 1.00 0.00 N ATOM 344 C4 DG A 11 -1.780 -6.981 4.385 1.00 0.00 C ATOM 0 H5' DG A 11 -5.654 -7.926 7.302 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.580 -6.904 8.724 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.663 -8.198 8.685 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.145 -5.299 8.037 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.919 -5.753 7.390 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.740 -6.962 8.645 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.183 -8.629 7.189 1.00 0.00 H new ATOM 0 H8 DG A 11 0.984 -7.893 5.734 1.00 0.00 H new ATOM 0 H1 DG A 11 -2.986 -5.785 1.171 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.447 -6.067 3.606 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.028 -5.638 1.944 1.00 0.00 H new ATOM 356 P DG A 12 -2.601 -4.828 10.590 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.643 -5.093 12.046 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.547 -3.865 9.986 1.00 0.00 O ATOM 359 O5' DG A 12 -1.104 -4.379 10.203 1.00 0.00 O ATOM 360 C5' DG A 12 0.017 -5.146 10.650 1.00 0.00 C ATOM 361 C4' DG A 12 1.269 -4.847 9.829 1.00 0.00 C ATOM 362 O4' DG A 12 1.034 -5.090 8.449 1.00 0.00 O ATOM 363 C3' DG A 12 1.743 -3.403 9.918 1.00 0.00 C ATOM 364 O3' DG A 12 2.689 -3.278 10.983 1.00 0.00 O ATOM 365 C2' DG A 12 2.431 -3.145 8.582 1.00 0.00 C ATOM 366 C1' DG A 12 1.872 -4.234 7.662 1.00 0.00 C ATOM 367 N9 DG A 12 1.059 -3.719 6.544 1.00 0.00 N ATOM 368 C8 DG A 12 -0.277 -3.435 6.508 1.00 0.00 C ATOM 369 N7 DG A 12 -0.715 -2.985 5.371 1.00 0.00 N ATOM 370 C5 DG A 12 0.429 -2.965 4.575 1.00 0.00 C ATOM 371 C6 DG A 12 0.588 -2.565 3.221 1.00 0.00 C ATOM 372 O6 DG A 12 -0.265 -2.136 2.447 1.00 0.00 O ATOM 373 N1 DG A 12 1.905 -2.701 2.801 1.00 0.00 N ATOM 374 C2 DG A 12 2.942 -3.164 3.583 1.00 0.00 C ATOM 375 N2 DG A 12 4.139 -3.230 3.001 1.00 0.00 N ATOM 376 N3 DG A 12 2.796 -3.538 4.858 1.00 0.00 N ATOM 377 C4 DG A 12 1.519 -3.413 5.286 1.00 0.00 C ATOM 0 H5' DG A 12 -0.218 -6.208 10.581 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.210 -4.930 11.701 1.00 0.00 H new ATOM 0 H4' DG A 12 2.030 -5.503 10.252 1.00 0.00 H new ATOM 0 H3' DG A 12 0.931 -2.702 10.110 1.00 0.00 H new ATOM 0 H2' DG A 12 2.206 -2.148 8.203 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.515 -3.215 8.671 1.00 0.00 H new ATOM 0 H1' DG A 12 2.728 -4.749 7.226 1.00 0.00 H new ATOM 0 H8 DG A 12 -0.922 -3.575 7.363 1.00 0.00 H new ATOM 0 H1 DG A 12 2.122 -2.438 1.840 1.00 0.00 H new ATOM 0 H21 DG A 12 4.945 -3.565 3.529 1.00 0.00 H new ATOM 0 H22 DG A 12 4.249 -2.946 2.028 1.00 0.00 H new ATOM 389 P DG A 13 3.083 -1.827 11.555 1.00 0.00 P ATOM 390 OP1 DG A 13 3.807 -2.014 12.832 1.00 0.00 O ATOM 391 OP2 DG A 13 1.878 -0.968 11.509 1.00 0.00 O ATOM 392 O5' DG A 13 4.129 -1.291 10.454 1.00 0.00 O ATOM 393 C5' DG A 13 5.346 -2.003 10.213 1.00 0.00 C ATOM 394 C4' DG A 13 6.055 -1.514 8.953 1.00 0.00 C ATOM 395 O4' DG A 13 5.198 -1.590 7.836 1.00 0.00 O ATOM 396 C3' DG A 13 6.521 -0.066 9.017 1.00 0.00 C ATOM 397 O3' DG A 13 7.869 -0.020 9.491 1.00 0.00 O ATOM 398 C2' DG A 13 6.470 0.411 7.565 1.00 0.00 C ATOM 399 C1' DG A 13 5.610 -0.637 6.854 1.00 0.00 C ATOM 400 N9 DG A 13 4.400 -0.091 6.212 1.00 0.00 N ATOM 401 C8 DG A 13 3.159 0.114 6.741 1.00 0.00 C ATOM 402 N7 DG A 13 2.285 0.621 5.921 1.00 0.00 N ATOM 403 C5 DG A 13 3.008 0.767 4.738 1.00 0.00 C ATOM 404 C6 DG A 13 2.597 1.273 3.474 1.00 0.00 C ATOM 405 O6 DG A 13 1.493 1.703 3.148 1.00 0.00 O ATOM 406 N1 DG A 13 3.636 1.244 2.552 1.00 0.00 N ATOM 407 C2 DG A 13 4.910 0.788 2.810 1.00 0.00 C ATOM 408 N2 DG A 13 5.773 0.835 1.794 1.00 0.00 N ATOM 409 N3 DG A 13 5.301 0.314 3.996 1.00 0.00 N ATOM 410 C4 DG A 13 4.304 0.332 4.909 1.00 0.00 C ATOM 0 H5' DG A 13 5.131 -3.067 10.118 1.00 0.00 H new ATOM 0 H5'' DG A 13 6.009 -1.888 11.070 1.00 0.00 H new ATOM 0 H4' DG A 13 6.923 -2.167 8.868 1.00 0.00 H new ATOM 0 H3' DG A 13 5.912 0.546 9.683 1.00 0.00 H new ATOM 0 H2' DG A 13 6.030 1.405 7.488 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.468 0.469 7.130 1.00 0.00 H new ATOM 0 H1' DG A 13 6.218 -1.068 6.058 1.00 0.00 H new ATOM 0 H8 DG A 13 2.919 -0.127 7.766 1.00 0.00 H new ATOM 0 H1 DG A 13 3.440 1.587 1.611 1.00 0.00 H new ATOM 0 H21 DG A 13 6.732 0.511 1.924 1.00 0.00 H new ATOM 0 H22 DG A 13 5.474 1.195 0.887 1.00 0.00 H new ATOM 422 P DG A 14 8.406 1.272 10.283 1.00 0.00 P ATOM 423 OP1 DG A 14 9.713 0.935 10.889 1.00 0.00 O ATOM 424 OP2 DG A 14 7.307 1.780 11.135 1.00 0.00 O ATOM 425 O5' DG A 14 8.660 2.332 9.097 1.00 0.00 O ATOM 426 C5' DG A 14 9.555 2.021 8.022 1.00 0.00 C ATOM 427 C4' DG A 14 9.268 2.867 6.784 1.00 0.00 C ATOM 428 O4' DG A 14 7.854 2.802 6.519 1.00 0.00 O ATOM 429 C3' DG A 14 9.647 4.337 6.946 1.00 0.00 C ATOM 430 O3' DG A 14 10.386 4.751 5.794 1.00 0.00 O ATOM 431 C2' DG A 14 8.336 5.111 7.007 1.00 0.00 C ATOM 432 C1' DG A 14 7.252 4.081 6.724 1.00 0.00 C ATOM 433 N9 DG A 14 6.276 3.939 7.815 1.00 0.00 N ATOM 434 C8 DG A 14 6.493 3.682 9.138 1.00 0.00 C ATOM 435 N7 DG A 14 5.421 3.608 9.868 1.00 0.00 N ATOM 436 C5 DG A 14 4.396 3.833 8.952 1.00 0.00 C ATOM 437 C6 DG A 14 2.991 3.875 9.150 1.00 0.00 C ATOM 438 O6 DG A 14 2.363 3.722 10.196 1.00 0.00 O ATOM 439 N1 DG A 14 2.317 4.128 7.963 1.00 0.00 N ATOM 440 C2 DG A 14 2.917 4.318 6.735 1.00 0.00 C ATOM 441 N2 DG A 14 2.102 4.542 5.706 1.00 0.00 N ATOM 442 N3 DG A 14 4.239 4.283 6.546 1.00 0.00 N ATOM 443 C4 DG A 14 4.913 4.037 7.692 1.00 0.00 C ATOM 0 H5' DG A 14 9.466 0.964 7.769 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.583 2.186 8.345 1.00 0.00 H new ATOM 0 H4' DG A 14 9.873 2.464 5.972 1.00 0.00 H new ATOM 0 H3' DG A 14 10.252 4.506 7.837 1.00 0.00 H new ATOM 0 H2' DG A 14 8.196 5.572 7.985 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.318 5.914 6.270 1.00 0.00 H new ATOM 0 H1' DG A 14 6.722 4.436 5.840 1.00 0.00 H new ATOM 0 H8 DG A 14 7.483 3.550 9.548 1.00 0.00 H new ATOM 0 H1 DG A 14 1.299 4.177 8.002 1.00 0.00 H new ATOM 0 H21 DG A 14 2.487 4.690 4.773 1.00 0.00 H new ATOM 0 H22 DG A 14 1.093 4.566 5.851 1.00 0.00 H new ATOM 455 P DC A 15 11.979 4.970 5.868 1.00 0.00 P ATOM 456 OP1 DC A 15 12.306 5.568 7.182 1.00 0.00 O ATOM 457 OP2 DC A 15 12.411 5.642 4.623 1.00 0.00 O ATOM 458 O5' DC A 15 12.539 3.462 5.845 1.00 0.00 O ATOM 459 C5' DC A 15 12.980 2.878 4.617 1.00 0.00 C ATOM 460 C4' DC A 15 13.673 1.539 4.850 1.00 0.00 C ATOM 461 O4' DC A 15 14.815 1.735 5.687 1.00 0.00 O ATOM 462 C3' DC A 15 12.793 0.502 5.533 1.00 0.00 C ATOM 463 O3' DC A 15 13.176 -0.808 5.106 1.00 0.00 O ATOM 464 C2' DC A 15 13.125 0.671 7.003 1.00 0.00 C ATOM 465 C1' DC A 15 14.568 1.160 6.978 1.00 0.00 C ATOM 466 N1 DC A 15 14.875 2.184 7.993 1.00 0.00 N ATOM 467 C2 DC A 15 15.276 1.740 9.241 1.00 0.00 C ATOM 468 O2 DC A 15 15.354 0.535 9.468 1.00 0.00 O ATOM 469 N3 DC A 15 15.573 2.666 10.193 1.00 0.00 N ATOM 470 C4 DC A 15 15.481 3.975 9.931 1.00 0.00 C ATOM 471 N4 DC A 15 15.781 4.853 10.888 1.00 0.00 N ATOM 472 C5 DC A 15 15.066 4.441 8.643 1.00 0.00 C ATOM 473 C6 DC A 15 14.774 3.516 7.707 1.00 0.00 C ATOM 0 H5' DC A 15 13.665 3.560 4.114 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.127 2.736 3.954 1.00 0.00 H new ATOM 0 H4' DC A 15 13.935 1.165 3.860 1.00 0.00 H new ATOM 0 H3' DC A 15 11.733 0.625 5.312 1.00 0.00 H new ATOM 0 H2' DC A 15 12.464 1.391 7.485 1.00 0.00 H new ATOM 0 H2'' DC A 15 13.027 -0.267 7.549 1.00 0.00 H new ATOM 0 H1' DC A 15 15.199 0.298 7.195 1.00 0.00 H new ATOM 0 H41 DC A 15 15.715 5.854 10.701 1.00 0.00 H new ATOM 0 H42 DC A 15 16.077 4.524 11.807 1.00 0.00 H new ATOM 0 H5 DC A 15 14.989 5.497 8.429 1.00 0.00 H new ATOM 0 H6 DC A 15 14.458 3.830 6.723 1.00 0.00 H new ATOM 485 P DG A 16 12.535 -1.458 3.782 1.00 0.00 P ATOM 486 OP1 DG A 16 12.909 -2.890 3.744 1.00 0.00 O ATOM 487 OP2 DG A 16 12.858 -0.581 2.634 1.00 0.00 O ATOM 488 O5' DG A 16 10.953 -1.357 4.069 1.00 0.00 O ATOM 489 C5' DG A 16 10.391 -1.923 5.260 1.00 0.00 C ATOM 490 C4' DG A 16 8.872 -1.785 5.288 1.00 0.00 C ATOM 491 O4' DG A 16 8.543 -0.390 5.229 1.00 0.00 O ATOM 492 C3' DG A 16 8.173 -2.486 4.130 1.00 0.00 C ATOM 493 O3' DG A 16 7.029 -3.192 4.623 1.00 0.00 O ATOM 494 C2' DG A 16 7.719 -1.371 3.192 1.00 0.00 C ATOM 495 C1' DG A 16 7.957 -0.076 3.965 1.00 0.00 C ATOM 496 N9 DG A 16 8.863 0.865 3.279 1.00 0.00 N ATOM 497 C8 DG A 16 10.058 0.615 2.667 1.00 0.00 C ATOM 498 N7 DG A 16 10.632 1.650 2.132 1.00 0.00 N ATOM 499 C5 DG A 16 9.743 2.686 2.411 1.00 0.00 C ATOM 500 C6 DG A 16 9.821 4.067 2.079 1.00 0.00 C ATOM 501 O6 DG A 16 10.705 4.654 1.459 1.00 0.00 O ATOM 502 N1 DG A 16 8.719 4.766 2.552 1.00 0.00 N ATOM 503 C2 DG A 16 7.669 4.212 3.256 1.00 0.00 C ATOM 504 N2 DG A 16 6.703 5.050 3.634 1.00 0.00 N ATOM 505 N3 DG A 16 7.590 2.914 3.567 1.00 0.00 N ATOM 506 C4 DG A 16 8.657 2.215 3.115 1.00 0.00 C ATOM 0 H5' DG A 16 10.817 -1.430 6.134 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.662 -2.977 5.325 1.00 0.00 H new ATOM 0 H4' DG A 16 8.527 -2.258 6.207 1.00 0.00 H new ATOM 0 H3' DG A 16 8.826 -3.200 3.628 1.00 0.00 H new ATOM 0 H2' DG A 16 8.286 -1.384 2.261 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.668 -1.484 2.926 1.00 0.00 H new ATOM 0 H1' DG A 16 6.984 0.406 4.062 1.00 0.00 H new ATOM 0 H8 DG A 16 10.494 -0.372 2.631 1.00 0.00 H new ATOM 0 H1 DG A 16 8.682 5.768 2.365 1.00 0.00 H new ATOM 0 H21 DG A 16 5.900 4.700 4.157 1.00 0.00 H new ATOM 0 H22 DG A 16 6.767 6.041 3.400 1.00 0.00 H new ATOM 518 P DG A 17 7.099 -4.776 4.906 1.00 0.00 P ATOM 519 OP1 DG A 17 5.818 -5.196 5.516 1.00 0.00 O ATOM 520 OP2 DG A 17 8.378 -5.071 5.594 1.00 0.00 O ATOM 521 O5' DG A 17 7.166 -5.391 3.416 1.00 0.00 O ATOM 522 C5' DG A 17 7.900 -6.589 3.160 1.00 0.00 C ATOM 523 C4' DG A 17 8.323 -6.690 1.696 1.00 0.00 C ATOM 524 O4' DG A 17 7.280 -7.304 0.909 1.00 0.00 O ATOM 525 C3' DG A 17 8.656 -5.352 1.042 1.00 0.00 C ATOM 526 O3' DG A 17 10.080 -5.183 1.014 1.00 0.00 O ATOM 527 C2' DG A 17 8.122 -5.453 -0.389 1.00 0.00 C ATOM 528 C1' DG A 17 7.356 -6.779 -0.415 1.00 0.00 C ATOM 529 N9 DG A 17 5.983 -6.651 -0.924 1.00 0.00 N ATOM 530 C8 DG A 17 5.567 -6.519 -2.213 1.00 0.00 C ATOM 531 N7 DG A 17 4.284 -6.418 -2.373 1.00 0.00 N ATOM 532 C5 DG A 17 3.794 -6.490 -1.069 1.00 0.00 C ATOM 533 C6 DG A 17 2.455 -6.436 -0.596 1.00 0.00 C ATOM 534 O6 DG A 17 1.420 -6.314 -1.248 1.00 0.00 O ATOM 535 N1 DG A 17 2.399 -6.541 0.788 1.00 0.00 N ATOM 536 C2 DG A 17 3.493 -6.681 1.616 1.00 0.00 C ATOM 537 N2 DG A 17 3.236 -6.758 2.920 1.00 0.00 N ATOM 538 N3 DG A 17 4.754 -6.735 1.174 1.00 0.00 N ATOM 539 C4 DG A 17 4.829 -6.633 -0.173 1.00 0.00 C ATOM 0 H5' DG A 17 7.290 -7.453 3.423 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.784 -6.617 3.797 1.00 0.00 H new ATOM 0 H4' DG A 17 9.232 -7.292 1.714 1.00 0.00 H new ATOM 0 H3' DG A 17 8.221 -4.509 1.579 1.00 0.00 H new ATOM 0 H2' DG A 17 7.471 -4.613 -0.631 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.933 -5.448 -1.117 1.00 0.00 H new ATOM 0 H1' DG A 17 7.904 -7.437 -1.089 1.00 0.00 H new ATOM 0 H8 DG A 17 6.257 -6.500 -3.044 1.00 0.00 H new ATOM 0 H1 DG A 17 1.478 -6.512 1.225 1.00 0.00 H new ATOM 0 H21 DG A 17 4.002 -6.862 3.585 1.00 0.00 H new ATOM 0 H22 DG A 17 2.273 -6.713 3.254 1.00 0.00 H new ATOM 551 P DG A 18 10.743 -3.771 1.413 1.00 0.00 P ATOM 552 OP1 DG A 18 12.210 -3.887 1.260 1.00 0.00 O ATOM 553 OP2 DG A 18 10.167 -3.348 2.712 1.00 0.00 O ATOM 554 O5' DG A 18 10.187 -2.794 0.257 1.00 0.00 O ATOM 555 C5' DG A 18 10.631 -2.957 -1.094 1.00 0.00 C ATOM 556 C4' DG A 18 9.663 -2.333 -2.096 1.00 0.00 C ATOM 557 O4' DG A 18 8.399 -2.964 -2.002 1.00 0.00 O ATOM 558 C3' DG A 18 9.417 -0.858 -1.879 1.00 0.00 C ATOM 559 O3' DG A 18 10.396 -0.096 -2.586 1.00 0.00 O ATOM 560 C2' DG A 18 8.042 -0.648 -2.505 1.00 0.00 C ATOM 561 C1' DG A 18 7.411 -2.041 -2.490 1.00 0.00 C ATOM 562 N9 DG A 18 6.218 -2.135 -1.625 1.00 0.00 N ATOM 563 C8 DG A 18 6.136 -2.414 -0.290 1.00 0.00 C ATOM 564 N7 DG A 18 4.934 -2.395 0.205 1.00 0.00 N ATOM 565 C5 DG A 18 4.140 -2.076 -0.896 1.00 0.00 C ATOM 566 C6 DG A 18 2.730 -1.909 -0.988 1.00 0.00 C ATOM 567 O6 DG A 18 1.889 -2.011 -0.097 1.00 0.00 O ATOM 568 N1 DG A 18 2.338 -1.595 -2.284 1.00 0.00 N ATOM 569 C2 DG A 18 3.193 -1.455 -3.357 1.00 0.00 C ATOM 570 N2 DG A 18 2.633 -1.155 -4.527 1.00 0.00 N ATOM 571 N3 DG A 18 4.518 -1.608 -3.273 1.00 0.00 N ATOM 572 C4 DG A 18 4.920 -1.917 -2.020 1.00 0.00 C ATOM 0 H5' DG A 18 10.744 -4.019 -1.312 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.615 -2.502 -1.209 1.00 0.00 H new ATOM 0 H4' DG A 18 10.136 -2.470 -3.068 1.00 0.00 H new ATOM 0 H3' DG A 18 9.470 -0.554 -0.834 1.00 0.00 H new ATOM 0 H2' DG A 18 7.448 0.065 -1.933 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.121 -0.257 -3.519 1.00 0.00 H new ATOM 0 H1' DG A 18 7.087 -2.269 -3.506 1.00 0.00 H new ATOM 0 H8 DG A 18 7.006 -2.634 0.310 1.00 0.00 H new ATOM 0 H1 DG A 18 1.342 -1.458 -2.455 1.00 0.00 H new ATOM 0 H21 DG A 18 3.215 -1.039 -5.356 1.00 0.00 H new ATOM 0 H22 DG A 18 1.622 -1.041 -4.594 1.00 0.00 H new ATOM 584 P DG A 19 10.652 1.442 -2.199 1.00 0.00 P ATOM 585 OP1 DG A 19 11.895 1.888 -2.866 1.00 0.00 O ATOM 586 OP2 DG A 19 10.517 1.572 -0.731 1.00 0.00 O ATOM 587 O5' DG A 19 9.404 2.190 -2.896 1.00 0.00 O ATOM 588 C5' DG A 19 9.284 2.216 -4.322 1.00 0.00 C ATOM 589 C4' DG A 19 7.936 2.771 -4.780 1.00 0.00 C ATOM 590 O4' DG A 19 6.878 1.987 -4.250 1.00 0.00 O ATOM 591 C3' DG A 19 7.665 4.194 -4.340 1.00 0.00 C ATOM 592 O3' DG A 19 8.192 5.115 -5.298 1.00 0.00 O ATOM 593 C2' DG A 19 6.143 4.265 -4.338 1.00 0.00 C ATOM 594 C1' DG A 19 5.702 2.810 -4.178 1.00 0.00 C ATOM 595 N9 DG A 19 5.026 2.540 -2.894 1.00 0.00 N ATOM 596 C8 DG A 19 5.566 2.175 -1.694 1.00 0.00 C ATOM 597 N7 DG A 19 4.711 2.038 -0.724 1.00 0.00 N ATOM 598 C5 DG A 19 3.491 2.337 -1.328 1.00 0.00 C ATOM 599 C6 DG A 19 2.181 2.358 -0.776 1.00 0.00 C ATOM 600 O6 DG A 19 1.836 2.117 0.379 1.00 0.00 O ATOM 601 N1 DG A 19 1.233 2.708 -1.729 1.00 0.00 N ATOM 602 C2 DG A 19 1.508 3.002 -3.049 1.00 0.00 C ATOM 603 N2 DG A 19 0.464 3.310 -3.818 1.00 0.00 N ATOM 604 N3 DG A 19 2.738 2.985 -3.571 1.00 0.00 N ATOM 605 C4 DG A 19 3.676 2.644 -2.657 1.00 0.00 C ATOM 0 H5' DG A 19 9.411 1.207 -4.714 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.086 2.824 -4.741 1.00 0.00 H new ATOM 0 H4' DG A 19 7.984 2.743 -5.869 1.00 0.00 H new ATOM 0 H3' DG A 19 8.117 4.443 -3.380 1.00 0.00 H new ATOM 0 H2' DG A 19 5.774 4.885 -3.521 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.763 4.697 -5.264 1.00 0.00 H new ATOM 0 H1' DG A 19 4.984 2.593 -4.969 1.00 0.00 H new ATOM 0 H8 DG A 19 6.625 2.012 -1.560 1.00 0.00 H new ATOM 0 H1 DG A 19 0.259 2.751 -1.430 1.00 0.00 H new ATOM 0 H21 DG A 19 0.605 3.537 -4.802 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.476 3.319 -3.422 1.00 0.00 H new ATOM 617 P DT A 20 8.671 6.577 -4.825 1.00 0.00 P ATOM 618 OP1 DT A 20 9.225 7.293 -5.997 1.00 0.00 O ATOM 619 OP2 DT A 20 9.488 6.417 -3.603 1.00 0.00 O ATOM 620 O5' DT A 20 7.284 7.280 -4.415 1.00 0.00 O ATOM 621 C5' DT A 20 6.286 7.524 -5.405 1.00 0.00 C ATOM 622 C4' DT A 20 4.939 7.897 -4.782 1.00 0.00 C ATOM 623 O4' DT A 20 4.590 6.943 -3.758 1.00 0.00 O ATOM 624 C3' DT A 20 4.917 9.261 -4.106 1.00 0.00 C ATOM 625 O3' DT A 20 4.638 10.320 -5.031 1.00 0.00 O ATOM 626 C2' DT A 20 3.791 9.076 -3.102 1.00 0.00 C ATOM 627 C1' DT A 20 4.065 7.660 -2.630 1.00 0.00 C ATOM 628 N1 DT A 20 5.065 7.589 -1.555 1.00 0.00 N ATOM 629 C2 DT A 20 4.617 7.758 -0.261 1.00 0.00 C ATOM 630 O2 DT A 20 3.428 7.916 0.004 1.00 0.00 O ATOM 631 N3 DT A 20 5.588 7.737 0.720 1.00 0.00 N ATOM 632 C4 DT A 20 6.947 7.562 0.520 1.00 0.00 C ATOM 633 O4 DT A 20 7.727 7.568 1.469 1.00 0.00 O ATOM 634 C5 DT A 20 7.317 7.390 -0.868 1.00 0.00 C ATOM 635 C7 DT A 20 8.784 7.197 -1.235 1.00 0.00 C ATOM 636 C6 DT A 20 6.388 7.407 -1.842 1.00 0.00 C ATOM 0 H5' DT A 20 6.165 6.635 -6.025 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.616 8.328 -6.062 1.00 0.00 H new ATOM 0 H4' DT A 20 4.240 7.907 -5.619 1.00 0.00 H new ATOM 0 H3' DT A 20 5.870 9.550 -3.662 1.00 0.00 H new ATOM 0 H2' DT A 20 3.839 9.800 -2.288 1.00 0.00 H new ATOM 0 H2'' DT A 20 2.807 9.176 -3.560 1.00 0.00 H new ATOM 0 HO3' DT A 20 4.632 11.177 -4.555 1.00 0.00 H new ATOM 0 H1' DT A 20 3.136 7.246 -2.238 1.00 0.00 H new ATOM 0 H3 DT A 20 5.275 7.862 1.683 1.00 0.00 H new ATOM 0 H71 DT A 20 9.412 7.717 -0.511 1.00 0.00 H new ATOM 0 H72 DT A 20 9.025 6.134 -1.226 1.00 0.00 H new ATOM 0 H73 DT A 20 8.966 7.602 -2.231 1.00 0.00 H new ATOM 0 H6 DT A 20 6.694 7.274 -2.869 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.579 5.596 1.008 1.00 0.00 C HETATM 652 C2 BER A 101 -1.903 5.781 0.626 1.00 0.00 C HETATM 653 N1 BER A 101 -0.286 5.440 2.306 1.00 0.00 N HETATM 654 C3 BER A 101 0.422 5.582 0.043 1.00 0.00 C HETATM 655 C4 BER A 101 -2.905 5.827 1.584 1.00 0.00 C HETATM 656 C5 BER A 101 -2.251 5.959 -0.707 1.00 0.00 C HETATM 657 C6 BER A 101 1.044 5.246 2.708 1.00 0.00 C HETATM 658 C7 BER A 101 -1.362 5.093 3.263 1.00 0.00 C HETATM 659 C8 BER A 101 1.746 5.391 0.417 1.00 0.00 C HETATM 660 C9 BER A 101 -4.207 6.050 1.152 1.00 0.00 C HETATM 661 C10 BER A 101 -2.578 5.962 2.929 1.00 0.00 C HETATM 662 C11 BER A 101 -3.517 6.170 -1.058 1.00 0.00 C HETATM 663 C12 BER A 101 2.058 5.204 1.758 1.00 0.00 C HETATM 664 C13 BER A 101 2.725 5.255 -0.560 1.00 0.00 C HETATM 665 C14 BER A 101 -4.482 6.208 -0.141 1.00 0.00 C HETATM 666 O1 BER A 101 -4.029 6.339 -2.304 1.00 0.00 O HETATM 667 C15 BER A 101 3.365 4.911 2.131 1.00 0.00 C HETATM 668 C16 BER A 101 4.034 4.964 -0.193 1.00 0.00 C HETATM 669 O2 BER A 101 -5.690 6.427 -0.724 1.00 0.00 O HETATM 670 C17 BER A 101 -5.382 6.768 -2.084 1.00 0.00 C HETATM 671 C18 BER A 101 4.346 4.808 1.152 1.00 0.00 C HETATM 672 O3 BER A 101 3.678 4.700 3.438 1.00 0.00 O HETATM 673 O4 BER A 101 5.624 4.627 1.580 1.00 0.00 O HETATM 674 C19 BER A 101 4.120 5.922 4.035 1.00 0.00 C HETATM 675 C20 BER A 101 6.499 4.539 0.451 1.00 0.00 C HETATM 0 H203 BER A 101 6.203 3.696 -0.174 1.00 0.00 H new HETATM 0 H202 BER A 101 6.438 5.460 -0.129 1.00 0.00 H new HETATM 0 H201 BER A 101 7.523 4.394 0.795 1.00 0.00 H new HETATM 0 H193 BER A 101 5.002 6.286 3.508 1.00 0.00 H new HETATM 0 H192 BER A 101 3.326 6.666 3.971 1.00 0.00 H new HETATM 0 H191 BER A 101 4.369 5.746 5.082 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.483 7.841 -2.250 1.00 0.00 H new HETATM 0 H171 BER A 101 -6.065 6.273 -2.774 1.00 0.00 H new HETATM 0 H161 BER A 101 4.808 4.859 -0.953 1.00 0.00 H new HETATM 0 H131 BER A 101 2.467 5.376 -1.612 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.362 7.006 3.156 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.426 5.669 3.549 1.00 0.00 H new HETATM 0 H91 BER A 101 -5.015 6.096 1.882 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.615 4.035 3.187 1.00 0.00 H new HETATM 0 H71 BER A 101 -1.035 5.270 4.288 1.00 0.00 H new HETATM 0 H61 BER A 101 1.282 5.128 3.765 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.478 5.925 -1.475 1.00 0.00 H new HETATM 0 H31 BER A 101 0.168 5.721 -1.008 1.00 0.00 H new