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 49:sc= 0.836 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.19! (180deg=-7.63!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.294 -3.690 -7.401 1.00 0.00 O ATOM 2 C5' DG A 1 3.353 -3.650 -8.826 1.00 0.00 C ATOM 3 C4' DG A 1 1.993 -3.311 -9.437 1.00 0.00 C ATOM 4 O4' DG A 1 1.017 -4.264 -9.010 1.00 0.00 O ATOM 5 C3' DG A 1 1.453 -1.948 -9.044 1.00 0.00 C ATOM 6 O3' DG A 1 1.944 -0.948 -9.942 1.00 0.00 O ATOM 7 C2' DG A 1 -0.048 -2.116 -9.223 1.00 0.00 C ATOM 8 C1' DG A 1 -0.262 -3.609 -8.963 1.00 0.00 C ATOM 9 N9 DG A 1 -0.871 -3.891 -7.649 1.00 0.00 N ATOM 10 C8 DG A 1 -2.178 -3.779 -7.269 1.00 0.00 C ATOM 11 N7 DG A 1 -2.421 -4.073 -6.026 1.00 0.00 N ATOM 12 C5 DG A 1 -1.163 -4.412 -5.529 1.00 0.00 C ATOM 13 C6 DG A 1 -0.783 -4.825 -4.222 1.00 0.00 C ATOM 14 O6 DG A 1 -1.494 -4.968 -3.230 1.00 0.00 O ATOM 15 N1 DG A 1 0.580 -5.073 -4.144 1.00 0.00 N ATOM 16 C2 DG A 1 1.472 -4.941 -5.188 1.00 0.00 C ATOM 17 N2 DG A 1 2.745 -5.230 -4.915 1.00 0.00 N ATOM 18 N3 DG A 1 1.119 -4.551 -6.418 1.00 0.00 N ATOM 19 C4 DG A 1 -0.208 -4.305 -6.516 1.00 0.00 C ATOM 0 H5' DG A 1 3.692 -4.615 -9.204 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.088 -2.909 -9.140 1.00 0.00 H new ATOM 0 H4' DG A 1 2.161 -3.322 -10.514 1.00 0.00 H new ATOM 0 H3' DG A 1 1.741 -1.638 -8.039 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.609 -1.500 -8.521 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.369 -1.831 -10.225 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.536 -4.244 -7.120 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.947 -3.974 -9.728 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.954 -3.468 -7.952 1.00 0.00 H new ATOM 0 H1 DG A 1 0.952 -5.377 -3.244 1.00 0.00 H new ATOM 0 H21 DG A 1 3.453 -5.152 -5.645 1.00 0.00 H new ATOM 0 H22 DG A 1 3.010 -5.529 -3.977 1.00 0.00 H new ATOM 32 P DG A 2 2.159 0.563 -9.429 1.00 0.00 P ATOM 33 OP1 DG A 2 2.657 1.373 -10.563 1.00 0.00 O ATOM 34 OP2 DG A 2 2.924 0.513 -8.164 1.00 0.00 O ATOM 35 O5' DG A 2 0.654 1.035 -9.092 1.00 0.00 O ATOM 36 C5' DG A 2 -0.311 1.177 -10.137 1.00 0.00 C ATOM 37 C4' DG A 2 -1.732 1.295 -9.587 1.00 0.00 C ATOM 38 O4' DG A 2 -2.088 0.119 -8.863 1.00 0.00 O ATOM 39 C3' DG A 2 -1.937 2.467 -8.638 1.00 0.00 C ATOM 40 O3' DG A 2 -2.346 3.626 -9.366 1.00 0.00 O ATOM 41 C2' DG A 2 -3.064 1.991 -7.742 1.00 0.00 C ATOM 42 C1' DG A 2 -2.799 0.490 -7.671 1.00 0.00 C ATOM 43 N9 DG A 2 -1.974 0.092 -6.514 1.00 0.00 N ATOM 44 C8 DG A 2 -0.613 0.008 -6.416 1.00 0.00 C ATOM 45 N7 DG A 2 -0.164 -0.343 -5.247 1.00 0.00 N ATOM 46 C5 DG A 2 -1.327 -0.510 -4.496 1.00 0.00 C ATOM 47 C6 DG A 2 -1.487 -0.891 -3.134 1.00 0.00 C ATOM 48 O6 DG A 2 -0.614 -1.151 -2.308 1.00 0.00 O ATOM 49 N1 DG A 2 -2.827 -0.941 -2.772 1.00 0.00 N ATOM 50 C2 DG A 2 -3.885 -0.661 -3.613 1.00 0.00 C ATOM 51 N2 DG A 2 -5.105 -0.769 -3.085 1.00 0.00 N ATOM 52 N3 DG A 2 -3.739 -0.302 -4.893 1.00 0.00 N ATOM 53 C4 DG A 2 -2.440 -0.247 -5.265 1.00 0.00 C ATOM 0 H5' DG A 2 -0.251 0.319 -10.806 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.077 2.061 -10.730 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.355 1.446 -10.468 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.035 2.742 -8.091 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.029 2.459 -6.758 1.00 0.00 H new ATOM 0 H2'' DG A 2 -4.044 2.213 -8.165 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.763 -0.009 -7.570 1.00 0.00 H new ATOM 0 H8 DG A 2 0.042 0.218 -7.249 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.046 -1.205 -1.811 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.927 -0.575 -3.657 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.216 -1.046 -2.110 1.00 0.00 H new ATOM 65 P DG A 3 -2.219 5.083 -8.695 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.305 6.097 -9.770 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.053 5.070 -7.783 1.00 0.00 O ATOM 68 O5' DG A 3 -3.558 5.173 -7.807 1.00 0.00 O ATOM 69 C5' DG A 3 -4.843 5.059 -8.424 1.00 0.00 C ATOM 70 C4' DG A 3 -5.972 5.195 -7.408 1.00 0.00 C ATOM 71 O4' DG A 3 -5.754 4.244 -6.350 1.00 0.00 O ATOM 72 C3' DG A 3 -6.066 6.581 -6.775 1.00 0.00 C ATOM 73 O3' DG A 3 -7.435 6.996 -6.759 1.00 0.00 O ATOM 74 C2' DG A 3 -5.565 6.416 -5.346 1.00 0.00 C ATOM 75 C1' DG A 3 -5.628 4.914 -5.092 1.00 0.00 C ATOM 76 N9 DG A 3 -4.428 4.375 -4.421 1.00 0.00 N ATOM 77 C8 DG A 3 -3.158 4.237 -4.906 1.00 0.00 C ATOM 78 N7 DG A 3 -2.299 3.736 -4.071 1.00 0.00 N ATOM 79 C5 DG A 3 -3.060 3.516 -2.925 1.00 0.00 C ATOM 80 C6 DG A 3 -2.674 2.980 -1.667 1.00 0.00 C ATOM 81 O6 DG A 3 -1.563 2.588 -1.313 1.00 0.00 O ATOM 82 N1 DG A 3 -3.745 2.928 -0.785 1.00 0.00 N ATOM 83 C2 DG A 3 -5.030 3.338 -1.075 1.00 0.00 C ATOM 84 N2 DG A 3 -5.927 3.206 -0.097 1.00 0.00 N ATOM 85 N3 DG A 3 -5.397 3.845 -2.257 1.00 0.00 N ATOM 86 C4 DG A 3 -4.366 3.904 -3.130 1.00 0.00 C ATOM 0 H5' DG A 3 -4.921 4.095 -8.927 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.948 5.828 -9.190 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.901 5.018 -7.949 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.486 7.324 -7.322 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.549 6.795 -5.235 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.189 6.965 -4.641 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.480 4.745 -4.434 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.888 4.524 -5.912 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.568 2.558 0.149 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.894 3.492 -0.250 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.646 2.820 0.804 1.00 0.00 H new ATOM 98 P DG A 4 -7.993 8.013 -7.876 1.00 0.00 P ATOM 99 OP1 DG A 4 -6.923 8.986 -8.191 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.324 8.493 -7.440 1.00 0.00 O ATOM 101 O5' DG A 4 -8.198 7.054 -9.154 1.00 0.00 O ATOM 102 C5' DG A 4 -9.468 6.448 -9.406 1.00 0.00 C ATOM 103 C4' DG A 4 -9.484 5.716 -10.745 1.00 0.00 C ATOM 104 O4' DG A 4 -9.190 6.636 -11.796 1.00 0.00 O ATOM 105 C3' DG A 4 -8.459 4.594 -10.840 1.00 0.00 C ATOM 106 O3' DG A 4 -8.976 3.544 -11.667 1.00 0.00 O ATOM 107 C2' DG A 4 -7.257 5.239 -11.514 1.00 0.00 C ATOM 108 C1' DG A 4 -7.852 6.427 -12.266 1.00 0.00 C ATOM 109 N9 DG A 4 -7.112 7.687 -12.067 1.00 0.00 N ATOM 110 C8 DG A 4 -6.511 8.164 -10.937 1.00 0.00 C ATOM 111 N7 DG A 4 -5.931 9.319 -11.066 1.00 0.00 N ATOM 112 C5 DG A 4 -6.164 9.646 -12.400 1.00 0.00 C ATOM 113 C6 DG A 4 -5.773 10.795 -13.137 1.00 0.00 C ATOM 114 O6 DG A 4 -5.132 11.769 -12.746 1.00 0.00 O ATOM 115 N1 DG A 4 -6.212 10.731 -14.453 1.00 0.00 N ATOM 116 C2 DG A 4 -6.936 9.689 -14.996 1.00 0.00 C ATOM 117 N2 DG A 4 -7.269 9.806 -16.282 1.00 0.00 N ATOM 118 N3 DG A 4 -7.305 8.605 -14.307 1.00 0.00 N ATOM 119 C4 DG A 4 -6.887 8.651 -13.021 1.00 0.00 C ATOM 0 H5' DG A 4 -10.245 7.213 -9.399 1.00 0.00 H new ATOM 0 H5'' DG A 4 -9.703 5.748 -8.605 1.00 0.00 H new ATOM 0 H4' DG A 4 -10.480 5.282 -10.833 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.212 4.161 -9.871 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.514 5.560 -10.784 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.759 4.546 -12.192 1.00 0.00 H new ATOM 0 H1' DG A 4 -7.805 6.180 -13.327 1.00 0.00 H new ATOM 0 H8 DG A 4 -6.518 7.620 -10.004 1.00 0.00 H new ATOM 0 H1 DG A 4 -5.982 11.514 -15.065 1.00 0.00 H new ATOM 0 H21 DG A 4 -7.804 9.068 -16.739 1.00 0.00 H new ATOM 0 H22 DG A 4 -6.988 10.634 -16.808 1.00 0.00 H new ATOM 131 P DC A 5 -9.726 2.280 -11.010 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.542 1.628 -12.061 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.366 2.725 -9.753 1.00 0.00 O ATOM 134 O5' DC A 5 -8.507 1.297 -10.635 1.00 0.00 O ATOM 135 C5' DC A 5 -7.547 0.923 -11.628 1.00 0.00 C ATOM 136 C4' DC A 5 -6.682 -0.253 -11.170 1.00 0.00 C ATOM 137 O4' DC A 5 -5.992 0.092 -9.948 1.00 0.00 O ATOM 138 C3' DC A 5 -7.471 -1.535 -10.889 1.00 0.00 C ATOM 139 O3' DC A 5 -6.699 -2.674 -11.293 1.00 0.00 O ATOM 140 C2' DC A 5 -7.615 -1.533 -9.377 1.00 0.00 C ATOM 141 C1' DC A 5 -6.301 -0.897 -8.961 1.00 0.00 C ATOM 142 N1 DC A 5 -6.321 -0.239 -7.639 1.00 0.00 N ATOM 143 C2 DC A 5 -6.175 -1.050 -6.525 1.00 0.00 C ATOM 144 O2 DC A 5 -6.045 -2.265 -6.663 1.00 0.00 O ATOM 145 N3 DC A 5 -6.162 -0.466 -5.296 1.00 0.00 N ATOM 146 C4 DC A 5 -6.287 0.862 -5.163 1.00 0.00 C ATOM 147 N4 DC A 5 -6.266 1.403 -3.943 1.00 0.00 N ATOM 148 C5 DC A 5 -6.439 1.705 -6.311 1.00 0.00 C ATOM 149 C6 DC A 5 -6.451 1.115 -7.524 1.00 0.00 C ATOM 0 H5' DC A 5 -6.908 1.777 -11.855 1.00 0.00 H new ATOM 0 H5'' DC A 5 -8.063 0.657 -12.550 1.00 0.00 H new ATOM 0 H4' DC A 5 -5.999 -0.446 -11.997 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.424 -1.579 -11.416 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.477 -0.953 -9.046 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.733 -2.538 -8.973 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.563 -1.696 -8.885 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.360 2.412 -3.831 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.156 0.807 -3.123 1.00 0.00 H new ATOM 0 H5 DC A 5 -6.540 2.775 -6.209 1.00 0.00 H new ATOM 0 H6 DC A 5 -6.564 1.719 -8.412 1.00 0.00 H new ATOM 161 P DG A 6 -7.419 -4.057 -11.702 1.00 0.00 P ATOM 162 OP1 DG A 6 -6.418 -4.921 -12.366 1.00 0.00 O ATOM 163 OP2 DG A 6 -8.684 -3.729 -12.399 1.00 0.00 O ATOM 164 O5' DG A 6 -7.782 -4.712 -10.272 1.00 0.00 O ATOM 165 C5' DG A 6 -8.889 -5.613 -10.149 1.00 0.00 C ATOM 166 C4' DG A 6 -9.014 -6.193 -8.739 1.00 0.00 C ATOM 167 O4' DG A 6 -7.891 -6.999 -8.417 1.00 0.00 O ATOM 168 C3' DG A 6 -9.099 -5.160 -7.631 1.00 0.00 C ATOM 169 O3' DG A 6 -10.454 -4.736 -7.466 1.00 0.00 O ATOM 170 C2' DG A 6 -8.651 -5.944 -6.404 1.00 0.00 C ATOM 171 C1' DG A 6 -7.808 -7.081 -6.986 1.00 0.00 C ATOM 172 N9 DG A 6 -6.390 -7.005 -6.606 1.00 0.00 N ATOM 173 C8 DG A 6 -5.359 -6.384 -7.247 1.00 0.00 C ATOM 174 N7 DG A 6 -4.208 -6.470 -6.649 1.00 0.00 N ATOM 175 C5 DG A 6 -4.498 -7.217 -5.508 1.00 0.00 C ATOM 176 C6 DG A 6 -3.643 -7.642 -4.457 1.00 0.00 C ATOM 177 O6 DG A 6 -2.439 -7.436 -4.325 1.00 0.00 O ATOM 178 N1 DG A 6 -4.335 -8.371 -3.499 1.00 0.00 N ATOM 179 C2 DG A 6 -5.684 -8.659 -3.544 1.00 0.00 C ATOM 180 N2 DG A 6 -6.167 -9.373 -2.526 1.00 0.00 N ATOM 181 N3 DG A 6 -6.492 -8.262 -4.531 1.00 0.00 N ATOM 182 C4 DG A 6 -5.833 -7.548 -5.475 1.00 0.00 C ATOM 0 H5' DG A 6 -8.773 -6.427 -10.865 1.00 0.00 H new ATOM 0 H5'' DG A 6 -9.810 -5.090 -10.407 1.00 0.00 H new ATOM 0 H4' DG A 6 -9.947 -6.755 -8.779 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.504 -4.266 -7.820 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.069 -5.323 -5.723 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.502 -6.325 -5.840 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.200 -8.019 -6.592 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.489 -5.860 -8.182 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.805 -8.721 -2.700 1.00 0.00 H new ATOM 0 H21 DG A 6 -7.157 -9.619 -2.500 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.547 -9.673 -1.774 1.00 0.00 H new ATOM 194 P DG A 7 -10.791 -3.238 -6.977 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.242 -3.010 -7.163 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.813 -2.315 -7.594 1.00 0.00 O ATOM 197 O5' DG A 7 -10.489 -3.307 -5.394 1.00 0.00 O ATOM 198 C5' DG A 7 -11.302 -4.125 -4.553 1.00 0.00 C ATOM 199 C4' DG A 7 -10.949 -3.981 -3.070 1.00 0.00 C ATOM 200 O4' DG A 7 -9.701 -4.610 -2.741 1.00 0.00 O ATOM 201 C3' DG A 7 -10.842 -2.538 -2.560 1.00 0.00 C ATOM 202 O3' DG A 7 -12.024 -2.214 -1.817 1.00 0.00 O ATOM 203 C2' DG A 7 -9.630 -2.564 -1.619 1.00 0.00 C ATOM 204 C1' DG A 7 -9.384 -4.057 -1.471 1.00 0.00 C ATOM 205 N9 DG A 7 -8.012 -4.454 -1.070 1.00 0.00 N ATOM 206 C8 DG A 7 -7.608 -4.911 0.151 1.00 0.00 C ATOM 207 N7 DG A 7 -6.344 -5.162 0.264 1.00 0.00 N ATOM 208 C5 DG A 7 -5.839 -4.853 -0.992 1.00 0.00 C ATOM 209 C6 DG A 7 -4.502 -4.932 -1.467 1.00 0.00 C ATOM 210 O6 DG A 7 -3.497 -5.286 -0.853 1.00 0.00 O ATOM 211 N1 DG A 7 -4.405 -4.535 -2.788 1.00 0.00 N ATOM 212 C2 DG A 7 -5.464 -4.111 -3.568 1.00 0.00 C ATOM 213 N2 DG A 7 -5.165 -3.774 -4.822 1.00 0.00 N ATOM 214 N3 DG A 7 -6.732 -4.031 -3.126 1.00 0.00 N ATOM 215 C4 DG A 7 -6.847 -4.417 -1.830 1.00 0.00 C ATOM 0 H5' DG A 7 -11.190 -5.168 -4.849 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.350 -3.862 -4.700 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.794 -4.468 -2.584 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.737 -1.805 -3.360 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.770 -2.048 -2.046 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.845 -2.088 -0.662 1.00 0.00 H new ATOM 0 H1' DG A 7 -9.999 -4.427 -0.650 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.298 -5.054 0.969 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.481 -4.557 -3.220 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.899 -3.452 -5.453 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.202 -3.838 -5.151 1.00 0.00 H new ATOM 227 P DG A 8 -12.300 -0.712 -1.312 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.732 -0.605 -0.955 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.713 0.222 -2.297 1.00 0.00 O ATOM 230 O5' DG A 8 -11.434 -0.630 0.045 1.00 0.00 O ATOM 231 C5' DG A 8 -11.744 -1.483 1.150 1.00 0.00 C ATOM 232 C4' DG A 8 -10.607 -1.541 2.163 1.00 0.00 C ATOM 233 O4' DG A 8 -9.424 -2.044 1.569 1.00 0.00 O ATOM 234 C3' DG A 8 -10.233 -0.193 2.762 1.00 0.00 C ATOM 235 O3' DG A 8 -10.945 0.006 3.986 1.00 0.00 O ATOM 236 C2' DG A 8 -8.739 -0.315 3.055 1.00 0.00 C ATOM 237 C1' DG A 8 -8.334 -1.637 2.396 1.00 0.00 C ATOM 238 N9 DG A 8 -7.127 -1.550 1.554 1.00 0.00 N ATOM 239 C8 DG A 8 -7.009 -1.196 0.240 1.00 0.00 C ATOM 240 N7 DG A 8 -5.795 -1.201 -0.226 1.00 0.00 N ATOM 241 C5 DG A 8 -5.033 -1.593 0.875 1.00 0.00 C ATOM 242 C6 DG A 8 -3.628 -1.782 0.992 1.00 0.00 C ATOM 243 O6 DG A 8 -2.763 -1.633 0.131 1.00 0.00 O ATOM 244 N1 DG A 8 -3.274 -2.182 2.276 1.00 0.00 N ATOM 245 C2 DG A 8 -4.158 -2.377 3.317 1.00 0.00 C ATOM 246 N2 DG A 8 -3.629 -2.768 4.476 1.00 0.00 N ATOM 247 N3 DG A 8 -5.476 -2.198 3.210 1.00 0.00 N ATOM 248 C4 DG A 8 -5.842 -1.808 1.967 1.00 0.00 C ATOM 0 H5' DG A 8 -11.955 -2.488 0.784 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.649 -1.126 1.641 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.989 -2.190 2.951 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.470 0.641 2.102 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.182 0.524 2.639 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.543 -0.328 4.127 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.102 -2.343 3.194 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.862 -0.931 -0.368 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.284 -2.344 2.462 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.232 -2.929 5.283 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.622 -2.907 4.556 1.00 0.00 H new ATOM 260 P DG A 9 -10.853 1.417 4.754 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.948 1.475 5.750 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.724 2.484 3.738 1.00 0.00 O ATOM 263 O5' DG A 9 -9.454 1.300 5.546 1.00 0.00 O ATOM 264 C5' DG A 9 -9.225 0.230 6.468 1.00 0.00 C ATOM 265 C4' DG A 9 -7.752 0.135 6.877 1.00 0.00 C ATOM 266 O4' DG A 9 -6.915 0.155 5.702 1.00 0.00 O ATOM 267 C3' DG A 9 -7.267 1.302 7.756 1.00 0.00 C ATOM 268 O3' DG A 9 -6.348 0.814 8.744 1.00 0.00 O ATOM 269 C2' DG A 9 -6.496 2.165 6.776 1.00 0.00 C ATOM 270 C1' DG A 9 -5.856 1.068 5.966 1.00 0.00 C ATOM 271 N9 DG A 9 -5.228 1.482 4.702 1.00 0.00 N ATOM 272 C8 DG A 9 -5.787 1.969 3.557 1.00 0.00 C ATOM 273 N7 DG A 9 -4.938 2.254 2.611 1.00 0.00 N ATOM 274 C5 DG A 9 -3.707 1.923 3.181 1.00 0.00 C ATOM 275 C6 DG A 9 -2.392 2.011 2.643 1.00 0.00 C ATOM 276 O6 DG A 9 -2.045 2.410 1.533 1.00 0.00 O ATOM 277 N1 DG A 9 -1.438 1.573 3.556 1.00 0.00 N ATOM 278 C2 DG A 9 -1.712 1.108 4.827 1.00 0.00 C ATOM 279 N2 DG A 9 -0.668 0.727 5.562 1.00 0.00 N ATOM 280 N3 DG A 9 -2.941 1.028 5.330 1.00 0.00 N ATOM 281 C4 DG A 9 -3.883 1.451 4.459 1.00 0.00 C ATOM 0 H5' DG A 9 -9.538 -0.712 6.017 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.840 0.378 7.356 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.678 -0.793 7.445 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.078 1.817 8.270 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.143 2.809 6.180 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.766 2.811 7.264 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.023 0.655 6.535 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.852 2.108 3.443 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.461 1.597 3.264 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.812 0.375 6.509 1.00 0.00 H new ATOM 0 H22 DG A 9 0.275 0.787 5.178 1.00 0.00 H new ATOM 293 P DC A 10 -6.859 0.169 10.126 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.114 0.847 10.520 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.715 0.125 11.065 1.00 0.00 O ATOM 296 O5' DC A 10 -7.208 -1.341 9.693 1.00 0.00 O ATOM 297 C5' DC A 10 -6.161 -2.282 9.441 1.00 0.00 C ATOM 298 C4' DC A 10 -6.711 -3.692 9.266 1.00 0.00 C ATOM 299 O4' DC A 10 -7.319 -4.118 10.487 1.00 0.00 O ATOM 300 C3' DC A 10 -7.765 -3.799 8.176 1.00 0.00 C ATOM 301 O3' DC A 10 -7.704 -5.096 7.578 1.00 0.00 O ATOM 302 C2' DC A 10 -9.076 -3.637 8.926 1.00 0.00 C ATOM 303 C1' DC A 10 -8.746 -4.122 10.338 1.00 0.00 C ATOM 304 N1 DC A 10 -9.304 -3.279 11.413 1.00 0.00 N ATOM 305 C2 DC A 10 -10.587 -3.569 11.850 1.00 0.00 C ATOM 306 O2 DC A 10 -11.219 -4.489 11.336 1.00 0.00 O ATOM 307 N3 DC A 10 -11.113 -2.814 12.853 1.00 0.00 N ATOM 308 C4 DC A 10 -10.411 -1.817 13.406 1.00 0.00 C ATOM 309 N4 DC A 10 -10.956 -1.099 14.389 1.00 0.00 N ATOM 310 C5 DC A 10 -9.086 -1.513 12.957 1.00 0.00 C ATOM 311 C6 DC A 10 -8.575 -2.266 11.964 1.00 0.00 C ATOM 0 H5' DC A 10 -5.450 -2.267 10.267 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.615 -1.989 8.545 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.863 -4.315 8.984 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.637 -3.065 7.380 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.412 -2.600 8.927 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.872 -4.229 8.475 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.191 -5.112 10.439 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.429 -0.337 14.817 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.900 -1.312 14.713 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.517 -0.709 13.399 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.578 -2.066 11.600 1.00 0.00 H new ATOM 323 P DG A 11 -6.860 -5.329 6.228 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.720 -4.029 5.538 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.443 -6.487 5.512 1.00 0.00 O ATOM 326 O5' DG A 11 -5.413 -5.759 6.787 1.00 0.00 O ATOM 327 C5' DG A 11 -5.276 -6.925 7.598 1.00 0.00 C ATOM 328 C4' DG A 11 -3.817 -7.332 7.781 1.00 0.00 C ATOM 329 O4' DG A 11 -3.252 -7.805 6.550 1.00 0.00 O ATOM 330 C3' DG A 11 -2.904 -6.212 8.255 1.00 0.00 C ATOM 331 O3' DG A 11 -2.891 -6.171 9.687 1.00 0.00 O ATOM 332 C2' DG A 11 -1.527 -6.627 7.739 1.00 0.00 C ATOM 333 C1' DG A 11 -1.832 -7.701 6.687 1.00 0.00 C ATOM 334 N9 DG A 11 -1.257 -7.408 5.361 1.00 0.00 N ATOM 335 C8 DG A 11 0.034 -7.555 4.945 1.00 0.00 C ATOM 336 N7 DG A 11 0.265 -7.204 3.718 1.00 0.00 N ATOM 337 C5 DG A 11 -0.983 -6.781 3.267 1.00 0.00 C ATOM 338 C6 DG A 11 -1.367 -6.280 1.996 1.00 0.00 C ATOM 339 O6 DG A 11 -0.667 -6.109 1.001 1.00 0.00 O ATOM 340 N1 DG A 11 -2.719 -5.969 1.957 1.00 0.00 N ATOM 341 C2 DG A 11 -3.597 -6.120 3.009 1.00 0.00 C ATOM 342 N2 DG A 11 -4.860 -5.761 2.778 1.00 0.00 N ATOM 343 N3 DG A 11 -3.241 -6.593 4.210 1.00 0.00 N ATOM 344 C4 DG A 11 -1.924 -6.903 4.267 1.00 0.00 C ATOM 0 H5' DG A 11 -5.827 -7.748 7.143 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.725 -6.741 8.574 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.861 -8.106 8.547 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.215 -5.228 7.903 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.993 -5.782 7.304 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.902 -7.020 8.541 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.378 -8.629 7.034 1.00 0.00 H new ATOM 0 H8 DG A 11 0.810 -7.937 5.592 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.092 -5.600 1.082 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.558 -5.849 3.516 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.128 -5.399 1.863 1.00 0.00 H new ATOM 356 P DG A 12 -2.699 -4.773 10.460 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.752 -5.035 11.916 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.618 -3.787 9.852 1.00 0.00 O ATOM 359 O5' DG A 12 -1.190 -4.364 10.077 1.00 0.00 O ATOM 360 C5' DG A 12 -0.091 -5.158 10.529 1.00 0.00 C ATOM 361 C4' DG A 12 1.173 -4.889 9.715 1.00 0.00 C ATOM 362 O4' DG A 12 0.940 -5.135 8.336 1.00 0.00 O ATOM 363 C3' DG A 12 1.676 -3.455 9.801 1.00 0.00 C ATOM 364 O3' DG A 12 2.616 -3.344 10.872 1.00 0.00 O ATOM 365 C2' DG A 12 2.381 -3.222 8.469 1.00 0.00 C ATOM 366 C1' DG A 12 1.798 -4.299 7.549 1.00 0.00 C ATOM 367 N9 DG A 12 0.999 -3.765 6.431 1.00 0.00 N ATOM 368 C8 DG A 12 -0.335 -3.468 6.389 1.00 0.00 C ATOM 369 N7 DG A 12 -0.760 -3.003 5.252 1.00 0.00 N ATOM 370 C5 DG A 12 0.389 -2.988 4.464 1.00 0.00 C ATOM 371 C6 DG A 12 0.561 -2.578 3.114 1.00 0.00 C ATOM 372 O6 DG A 12 -0.282 -2.135 2.338 1.00 0.00 O ATOM 373 N1 DG A 12 1.880 -2.725 2.702 1.00 0.00 N ATOM 374 C2 DG A 12 2.907 -3.206 3.487 1.00 0.00 C ATOM 375 N2 DG A 12 4.107 -3.278 2.912 1.00 0.00 N ATOM 376 N3 DG A 12 2.749 -3.589 4.758 1.00 0.00 N ATOM 377 C4 DG A 12 1.470 -3.454 5.178 1.00 0.00 C ATOM 0 H5' DG A 12 -0.352 -6.214 10.458 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.102 -4.947 11.581 1.00 0.00 H new ATOM 0 H4' DG A 12 1.919 -5.557 10.145 1.00 0.00 H new ATOM 0 H3' DG A 12 0.878 -2.736 9.984 1.00 0.00 H new ATOM 0 H2' DG A 12 2.187 -2.221 8.084 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.462 -3.322 8.566 1.00 0.00 H new ATOM 0 H1' DG A 12 2.642 -4.834 7.114 1.00 0.00 H new ATOM 0 H8 DG A 12 -0.987 -3.609 7.238 1.00 0.00 H new ATOM 0 H1 DG A 12 2.106 -2.456 1.744 1.00 0.00 H new ATOM 0 H21 DG A 12 4.906 -3.626 3.442 1.00 0.00 H new ATOM 0 H22 DG A 12 4.226 -2.985 1.942 1.00 0.00 H new ATOM 389 P DG A 13 3.019 -1.897 11.452 1.00 0.00 P ATOM 390 OP1 DG A 13 3.746 -2.096 12.727 1.00 0.00 O ATOM 391 OP2 DG A 13 1.819 -1.031 11.415 1.00 0.00 O ATOM 392 O5' DG A 13 4.065 -1.361 10.351 1.00 0.00 O ATOM 393 C5' DG A 13 5.279 -2.076 10.104 1.00 0.00 C ATOM 394 C4' DG A 13 5.989 -1.582 8.847 1.00 0.00 C ATOM 395 O4' DG A 13 5.129 -1.643 7.729 1.00 0.00 O ATOM 396 C3' DG A 13 6.464 -0.138 8.920 1.00 0.00 C ATOM 397 O3' DG A 13 7.809 -0.102 9.400 1.00 0.00 O ATOM 398 C2' DG A 13 6.422 0.346 7.472 1.00 0.00 C ATOM 399 C1' DG A 13 5.560 -0.693 6.751 1.00 0.00 C ATOM 400 N9 DG A 13 4.359 -0.136 6.099 1.00 0.00 N ATOM 401 C8 DG A 13 3.115 0.079 6.617 1.00 0.00 C ATOM 402 N7 DG A 13 2.254 0.594 5.790 1.00 0.00 N ATOM 403 C5 DG A 13 2.989 0.736 4.614 1.00 0.00 C ATOM 404 C6 DG A 13 2.593 1.248 3.348 1.00 0.00 C ATOM 405 O6 DG A 13 1.495 1.690 3.012 1.00 0.00 O ATOM 406 N1 DG A 13 3.641 1.214 2.435 1.00 0.00 N ATOM 407 C2 DG A 13 4.909 0.745 2.704 1.00 0.00 C ATOM 408 N2 DG A 13 5.781 0.786 1.696 1.00 0.00 N ATOM 409 N3 DG A 13 5.284 0.266 3.893 1.00 0.00 N ATOM 410 C4 DG A 13 4.279 0.291 4.796 1.00 0.00 C ATOM 0 H5' DG A 13 5.059 -3.139 10.002 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.944 -1.969 10.961 1.00 0.00 H new ATOM 0 H4' DG A 13 6.852 -2.241 8.757 1.00 0.00 H new ATOM 0 H3' DG A 13 5.856 0.474 9.586 1.00 0.00 H new ATOM 0 H2' DG A 13 5.988 1.343 7.398 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.422 0.401 7.042 1.00 0.00 H new ATOM 0 H1' DG A 13 6.172 -1.127 5.960 1.00 0.00 H new ATOM 0 H8 DG A 13 2.864 -0.161 7.640 1.00 0.00 H new ATOM 0 H1 DG A 13 3.458 1.563 1.494 1.00 0.00 H new ATOM 0 H21 DG A 13 6.735 0.453 1.833 1.00 0.00 H new ATOM 0 H22 DG A 13 5.494 1.150 0.788 1.00 0.00 H new ATOM 422 P DG A 14 8.345 1.174 10.219 1.00 0.00 P ATOM 423 OP1 DG A 14 9.667 0.836 10.794 1.00 0.00 O ATOM 424 OP2 DG A 14 7.255 1.647 11.104 1.00 0.00 O ATOM 425 O5' DG A 14 8.566 2.268 9.058 1.00 0.00 O ATOM 426 C5' DG A 14 9.436 1.993 7.953 1.00 0.00 C ATOM 427 C4' DG A 14 9.055 2.803 6.717 1.00 0.00 C ATOM 428 O4' DG A 14 7.627 2.725 6.551 1.00 0.00 O ATOM 429 C3' DG A 14 9.435 4.280 6.812 1.00 0.00 C ATOM 430 O3' DG A 14 10.106 4.660 5.607 1.00 0.00 O ATOM 431 C2' DG A 14 8.125 5.052 6.921 1.00 0.00 C ATOM 432 C1' DG A 14 7.030 4.008 6.752 1.00 0.00 C ATOM 433 N9 DG A 14 6.133 3.900 7.913 1.00 0.00 N ATOM 434 C8 DG A 14 6.438 3.647 9.218 1.00 0.00 C ATOM 435 N7 DG A 14 5.422 3.606 10.025 1.00 0.00 N ATOM 436 C5 DG A 14 4.339 3.853 9.184 1.00 0.00 C ATOM 437 C6 DG A 14 2.953 3.935 9.485 1.00 0.00 C ATOM 438 O6 DG A 14 2.401 3.807 10.575 1.00 0.00 O ATOM 439 N1 DG A 14 2.201 4.198 8.347 1.00 0.00 N ATOM 440 C2 DG A 14 2.716 4.364 7.077 1.00 0.00 C ATOM 441 N2 DG A 14 1.833 4.602 6.108 1.00 0.00 N ATOM 442 N3 DG A 14 4.019 4.291 6.793 1.00 0.00 N ATOM 443 C4 DG A 14 4.768 4.034 7.888 1.00 0.00 C ATOM 0 H5' DG A 14 9.398 0.930 7.717 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.464 2.221 8.234 1.00 0.00 H new ATOM 0 H4' DG A 14 9.603 2.379 5.876 1.00 0.00 H new ATOM 0 H3' DG A 14 10.087 4.479 7.662 1.00 0.00 H new ATOM 0 H2' DG A 14 8.044 5.555 7.884 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.057 5.822 6.152 1.00 0.00 H new ATOM 0 H1' DG A 14 6.436 4.329 5.896 1.00 0.00 H new ATOM 0 H8 DG A 14 7.452 3.492 9.556 1.00 0.00 H new ATOM 0 H1 DG A 14 1.190 4.274 8.458 1.00 0.00 H new ATOM 0 H21 DG A 14 2.152 4.734 5.148 1.00 0.00 H new ATOM 0 H22 DG A 14 0.838 4.653 6.326 1.00 0.00 H new ATOM 455 P DC A 15 11.695 4.908 5.590 1.00 0.00 P ATOM 456 OP1 DC A 15 12.074 5.593 6.847 1.00 0.00 O ATOM 457 OP2 DC A 15 12.056 5.508 4.287 1.00 0.00 O ATOM 458 O5' DC A 15 12.283 3.411 5.634 1.00 0.00 O ATOM 459 C5' DC A 15 12.758 2.790 4.437 1.00 0.00 C ATOM 460 C4' DC A 15 13.508 1.496 4.736 1.00 0.00 C ATOM 461 O4' DC A 15 14.639 1.784 5.566 1.00 0.00 O ATOM 462 C3' DC A 15 12.670 0.454 5.463 1.00 0.00 C ATOM 463 O3' DC A 15 13.108 -0.857 5.098 1.00 0.00 O ATOM 464 C2' DC A 15 12.996 0.708 6.923 1.00 0.00 C ATOM 465 C1' DC A 15 14.431 1.216 6.867 1.00 0.00 C ATOM 466 N1 DC A 15 14.746 2.255 7.865 1.00 0.00 N ATOM 467 C2 DC A 15 15.182 1.828 9.108 1.00 0.00 C ATOM 468 O2 DC A 15 15.283 0.626 9.343 1.00 0.00 O ATOM 469 N3 DC A 15 15.486 2.766 10.044 1.00 0.00 N ATOM 470 C4 DC A 15 15.369 4.071 9.773 1.00 0.00 C ATOM 471 N4 DC A 15 15.678 4.964 10.715 1.00 0.00 N ATOM 472 C5 DC A 15 14.919 4.519 8.491 1.00 0.00 C ATOM 473 C6 DC A 15 14.619 3.582 7.571 1.00 0.00 C ATOM 0 H5' DC A 15 13.416 3.478 3.906 1.00 0.00 H new ATOM 0 H5'' DC A 15 11.917 2.579 3.777 1.00 0.00 H new ATOM 0 H4' DC A 15 13.792 1.085 3.767 1.00 0.00 H new ATOM 0 H3' DC A 15 11.606 0.519 5.235 1.00 0.00 H new ATOM 0 H2' DC A 15 12.324 1.443 7.365 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.912 -0.200 7.520 1.00 0.00 H new ATOM 0 H1' DC A 15 15.078 0.365 7.081 1.00 0.00 H new ATOM 0 H41 DC A 15 15.593 5.961 10.520 1.00 0.00 H new ATOM 0 H42 DC A 15 16.000 4.649 11.630 1.00 0.00 H new ATOM 0 H5 DC A 15 14.823 5.572 8.269 1.00 0.00 H new ATOM 0 H6 DC A 15 14.275 3.883 6.593 1.00 0.00 H new ATOM 485 P DG A 16 12.520 -1.582 3.789 1.00 0.00 P ATOM 486 OP1 DG A 16 12.949 -2.998 3.815 1.00 0.00 O ATOM 487 OP2 DG A 16 12.831 -0.737 2.613 1.00 0.00 O ATOM 488 O5' DG A 16 10.929 -1.532 4.044 1.00 0.00 O ATOM 489 C5' DG A 16 10.362 -2.095 5.233 1.00 0.00 C ATOM 490 C4' DG A 16 8.841 -1.989 5.239 1.00 0.00 C ATOM 491 O4' DG A 16 8.483 -0.604 5.163 1.00 0.00 O ATOM 492 C3' DG A 16 8.174 -2.713 4.076 1.00 0.00 C ATOM 493 O3' DG A 16 7.016 -3.408 4.552 1.00 0.00 O ATOM 494 C2' DG A 16 7.746 -1.615 3.107 1.00 0.00 C ATOM 495 C1' DG A 16 7.935 -0.309 3.876 1.00 0.00 C ATOM 496 N9 DG A 16 8.848 0.641 3.216 1.00 0.00 N ATOM 497 C8 DG A 16 10.044 0.399 2.602 1.00 0.00 C ATOM 498 N7 DG A 16 10.625 1.443 2.091 1.00 0.00 N ATOM 499 C5 DG A 16 9.740 2.477 2.388 1.00 0.00 C ATOM 500 C6 DG A 16 9.826 3.864 2.087 1.00 0.00 C ATOM 501 O6 DG A 16 10.715 4.459 1.483 1.00 0.00 O ATOM 502 N1 DG A 16 8.725 4.558 2.571 1.00 0.00 N ATOM 503 C2 DG A 16 7.670 3.994 3.259 1.00 0.00 C ATOM 504 N2 DG A 16 6.706 4.829 3.651 1.00 0.00 N ATOM 505 N3 DG A 16 7.584 2.690 3.541 1.00 0.00 N ATOM 506 C4 DG A 16 8.649 1.995 3.079 1.00 0.00 C ATOM 0 H5' DG A 16 10.766 -1.583 6.106 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.654 -3.142 5.315 1.00 0.00 H new ATOM 0 H4' DG A 16 8.494 -2.462 6.158 1.00 0.00 H new ATOM 0 H3' DG A 16 8.839 -3.437 3.606 1.00 0.00 H new ATOM 0 H2' DG A 16 8.352 -1.630 2.201 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.709 -1.744 2.798 1.00 0.00 H new ATOM 0 H1' DG A 16 6.951 0.157 3.933 1.00 0.00 H new ATOM 0 H8 DG A 16 10.476 -0.589 2.545 1.00 0.00 H new ATOM 0 H1 DG A 16 8.694 5.564 2.405 1.00 0.00 H new ATOM 0 H21 DG A 16 5.900 4.472 4.164 1.00 0.00 H new ATOM 0 H22 DG A 16 6.775 5.824 3.438 1.00 0.00 H new ATOM 518 P DG A 17 7.057 -4.999 4.800 1.00 0.00 P ATOM 519 OP1 DG A 17 5.782 -5.402 5.434 1.00 0.00 O ATOM 520 OP2 DG A 17 8.345 -5.336 5.452 1.00 0.00 O ATOM 521 O5' DG A 17 7.073 -5.586 3.298 1.00 0.00 O ATOM 522 C5' DG A 17 7.778 -6.792 3.001 1.00 0.00 C ATOM 523 C4' DG A 17 8.186 -6.858 1.530 1.00 0.00 C ATOM 524 O4' DG A 17 7.116 -7.406 0.731 1.00 0.00 O ATOM 525 C3' DG A 17 8.562 -5.512 0.918 1.00 0.00 C ATOM 526 O3' DG A 17 9.991 -5.388 0.894 1.00 0.00 O ATOM 527 C2' DG A 17 8.026 -5.551 -0.515 1.00 0.00 C ATOM 528 C1' DG A 17 7.221 -6.852 -0.579 1.00 0.00 C ATOM 529 N9 DG A 17 5.858 -6.670 -1.099 1.00 0.00 N ATOM 530 C8 DG A 17 5.460 -6.495 -2.388 1.00 0.00 C ATOM 531 N7 DG A 17 4.181 -6.353 -2.558 1.00 0.00 N ATOM 532 C5 DG A 17 3.675 -6.441 -1.262 1.00 0.00 C ATOM 533 C6 DG A 17 2.335 -6.357 -0.800 1.00 0.00 C ATOM 534 O6 DG A 17 1.311 -6.189 -1.459 1.00 0.00 O ATOM 535 N1 DG A 17 2.260 -6.495 0.580 1.00 0.00 N ATOM 536 C2 DG A 17 3.340 -6.687 1.415 1.00 0.00 C ATOM 537 N2 DG A 17 3.070 -6.788 2.715 1.00 0.00 N ATOM 538 N3 DG A 17 4.605 -6.768 0.984 1.00 0.00 N ATOM 539 C4 DG A 17 4.698 -6.636 -0.359 1.00 0.00 C ATOM 0 H5' DG A 17 7.151 -7.650 3.244 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.667 -6.859 3.629 1.00 0.00 H new ATOM 0 H4' DG A 17 9.072 -7.493 1.521 1.00 0.00 H new ATOM 0 H3' DG A 17 8.154 -4.673 1.482 1.00 0.00 H new ATOM 0 H2' DG A 17 7.401 -4.685 -0.730 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.837 -5.548 -1.244 1.00 0.00 H new ATOM 0 H1' DG A 17 7.756 -7.511 -1.262 1.00 0.00 H new ATOM 0 H8 DG A 17 6.159 -6.476 -3.211 1.00 0.00 H new ATOM 0 H1 DG A 17 1.335 -6.451 1.008 1.00 0.00 H new ATOM 0 H21 DG A 17 3.827 -6.931 3.384 1.00 0.00 H new ATOM 0 H22 DG A 17 2.106 -6.723 3.042 1.00 0.00 H new ATOM 551 P DG A 18 10.697 -4.004 1.315 1.00 0.00 P ATOM 552 OP1 DG A 18 12.161 -4.162 1.153 1.00 0.00 O ATOM 553 OP2 DG A 18 10.140 -3.585 2.622 1.00 0.00 O ATOM 554 O5' DG A 18 10.169 -2.991 0.176 1.00 0.00 O ATOM 555 C5' DG A 18 10.602 -3.147 -1.179 1.00 0.00 C ATOM 556 C4' DG A 18 9.651 -2.476 -2.167 1.00 0.00 C ATOM 557 O4' DG A 18 8.364 -3.061 -2.072 1.00 0.00 O ATOM 558 C3' DG A 18 9.458 -0.996 -1.930 1.00 0.00 C ATOM 559 O3' DG A 18 10.460 -0.260 -2.633 1.00 0.00 O ATOM 560 C2' DG A 18 8.088 -0.728 -2.543 1.00 0.00 C ATOM 561 C1' DG A 18 7.409 -2.099 -2.549 1.00 0.00 C ATOM 562 N9 DG A 18 6.212 -2.164 -1.687 1.00 0.00 N ATOM 563 C8 DG A 18 6.118 -2.455 -0.356 1.00 0.00 C ATOM 564 N7 DG A 18 4.915 -2.402 0.137 1.00 0.00 N ATOM 565 C5 DG A 18 4.134 -2.044 -0.962 1.00 0.00 C ATOM 566 C6 DG A 18 2.731 -1.830 -1.054 1.00 0.00 C ATOM 567 O6 DG A 18 1.886 -1.915 -0.166 1.00 0.00 O ATOM 568 N1 DG A 18 2.353 -1.487 -2.347 1.00 0.00 N ATOM 569 C2 DG A 18 3.215 -1.362 -3.417 1.00 0.00 C ATOM 570 N2 DG A 18 2.667 -1.030 -4.585 1.00 0.00 N ATOM 571 N3 DG A 18 4.533 -1.560 -3.333 1.00 0.00 N ATOM 572 C4 DG A 18 4.922 -1.897 -2.082 1.00 0.00 C ATOM 0 H5' DG A 18 10.679 -4.208 -1.415 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.600 -2.722 -1.291 1.00 0.00 H new ATOM 0 H4' DG A 18 10.114 -2.618 -3.143 1.00 0.00 H new ATOM 0 H3' DG A 18 9.527 -0.708 -0.881 1.00 0.00 H new ATOM 0 H2' DG A 18 7.522 -0.005 -1.955 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.174 -0.321 -3.551 1.00 0.00 H new ATOM 0 H1' DG A 18 7.079 -2.301 -3.568 1.00 0.00 H new ATOM 0 H8 DG A 18 6.979 -2.710 0.244 1.00 0.00 H new ATOM 0 H1 DG A 18 1.362 -1.314 -2.518 1.00 0.00 H new ATOM 0 H21 DG A 18 3.254 -0.923 -5.412 1.00 0.00 H new ATOM 0 H22 DG A 18 1.660 -0.883 -4.652 1.00 0.00 H new ATOM 584 P DG A 19 10.750 1.273 -2.252 1.00 0.00 P ATOM 585 OP1 DG A 19 12.011 1.685 -2.908 1.00 0.00 O ATOM 586 OP2 DG A 19 10.600 1.415 -0.785 1.00 0.00 O ATOM 587 O5' DG A 19 9.527 2.047 -2.968 1.00 0.00 O ATOM 588 C5' DG A 19 9.427 2.071 -4.396 1.00 0.00 C ATOM 589 C4' DG A 19 8.100 2.657 -4.873 1.00 0.00 C ATOM 590 O4' DG A 19 7.016 1.895 -4.364 1.00 0.00 O ATOM 591 C3' DG A 19 7.853 4.084 -4.435 1.00 0.00 C ATOM 592 O3' DG A 19 8.419 4.996 -5.381 1.00 0.00 O ATOM 593 C2' DG A 19 6.334 4.189 -4.461 1.00 0.00 C ATOM 594 C1' DG A 19 5.857 2.745 -4.305 1.00 0.00 C ATOM 595 N9 DG A 19 5.162 2.490 -3.029 1.00 0.00 N ATOM 596 C8 DG A 19 5.679 2.118 -1.822 1.00 0.00 C ATOM 597 N7 DG A 19 4.810 1.999 -0.863 1.00 0.00 N ATOM 598 C5 DG A 19 3.603 2.320 -1.482 1.00 0.00 C ATOM 599 C6 DG A 19 2.288 2.368 -0.946 1.00 0.00 C ATOM 600 O6 DG A 19 1.924 2.135 0.205 1.00 0.00 O ATOM 601 N1 DG A 19 1.358 2.733 -1.911 1.00 0.00 N ATOM 602 C2 DG A 19 1.655 3.019 -3.228 1.00 0.00 C ATOM 603 N2 DG A 19 0.626 3.346 -4.008 1.00 0.00 N ATOM 604 N3 DG A 19 2.890 2.977 -3.733 1.00 0.00 N ATOM 605 C4 DG A 19 3.810 2.621 -2.809 1.00 0.00 C ATOM 0 H5' DG A 19 9.534 1.058 -4.783 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.249 2.657 -4.806 1.00 0.00 H new ATOM 0 H4' DG A 19 8.166 2.631 -5.961 1.00 0.00 H new ATOM 0 H3' DG A 19 8.292 4.321 -3.466 1.00 0.00 H new ATOM 0 H2' DG A 19 5.964 4.820 -3.653 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.981 4.627 -5.395 1.00 0.00 H new ATOM 0 H1' DG A 19 5.142 2.545 -5.103 1.00 0.00 H new ATOM 0 H8 DG A 19 6.733 1.936 -1.675 1.00 0.00 H new ATOM 0 H1 DG A 19 0.381 2.794 -1.624 1.00 0.00 H new ATOM 0 H21 DG A 19 0.782 3.568 -4.991 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.318 3.374 -3.622 1.00 0.00 H new ATOM 617 P DT A 20 8.929 6.442 -4.894 1.00 0.00 P ATOM 618 OP1 DT A 20 9.514 7.150 -6.055 1.00 0.00 O ATOM 619 OP2 DT A 20 9.726 6.255 -3.663 1.00 0.00 O ATOM 620 O5' DT A 20 7.555 7.178 -4.495 1.00 0.00 O ATOM 621 C5' DT A 20 6.574 7.453 -5.496 1.00 0.00 C ATOM 622 C4' DT A 20 5.229 7.847 -4.885 1.00 0.00 C ATOM 623 O4' DT A 20 4.848 6.890 -3.876 1.00 0.00 O ATOM 624 C3' DT A 20 5.226 9.203 -4.195 1.00 0.00 C ATOM 625 O3' DT A 20 4.980 10.279 -5.111 1.00 0.00 O ATOM 626 C2' DT A 20 4.084 9.031 -3.207 1.00 0.00 C ATOM 627 C1' DT A 20 4.325 7.604 -2.745 1.00 0.00 C ATOM 628 N1 DT A 20 5.310 7.503 -1.661 1.00 0.00 N ATOM 629 C2 DT A 20 4.848 7.649 -0.369 1.00 0.00 C ATOM 630 O2 DT A 20 3.657 7.812 -0.116 1.00 0.00 O ATOM 631 N3 DT A 20 5.806 7.599 0.624 1.00 0.00 N ATOM 632 C4 DT A 20 7.165 7.415 0.436 1.00 0.00 C ATOM 633 O4 DT A 20 7.933 7.394 1.394 1.00 0.00 O ATOM 634 C5 DT A 20 7.552 7.268 -0.950 1.00 0.00 C ATOM 635 C7 DT A 20 9.022 7.069 -1.305 1.00 0.00 C ATOM 636 C6 DT A 20 6.634 7.314 -1.936 1.00 0.00 C ATOM 0 H5' DT A 20 6.442 6.573 -6.126 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.929 8.257 -6.141 1.00 0.00 H new ATOM 0 H4' DT A 20 4.541 7.881 -5.730 1.00 0.00 H new ATOM 0 H3' DT A 20 6.180 9.466 -3.737 1.00 0.00 H new ATOM 0 H2' DT A 20 4.136 9.746 -2.386 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.108 9.155 -3.677 1.00 0.00 H new ATOM 0 HO3' DT A 20 4.985 11.130 -4.625 1.00 0.00 H new ATOM 0 H1' DT A 20 3.385 7.203 -2.366 1.00 0.00 H new ATOM 0 H3 DT A 20 5.482 7.708 1.585 1.00 0.00 H new ATOM 0 H71 DT A 20 9.646 7.568 -0.564 1.00 0.00 H new ATOM 0 H72 DT A 20 9.253 6.004 -1.315 1.00 0.00 H new ATOM 0 H73 DT A 20 9.219 7.492 -2.290 1.00 0.00 H new ATOM 0 H6 DT A 20 6.951 7.199 -2.962 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.246 5.571 0.923 1.00 0.00 C HETATM 652 C2 BER A 101 -1.571 5.774 0.554 1.00 0.00 C HETATM 653 N1 BER A 101 0.059 5.427 2.220 1.00 0.00 N HETATM 654 C3 BER A 101 0.742 5.527 -0.051 1.00 0.00 C HETATM 655 C4 BER A 101 -2.561 5.853 1.523 1.00 0.00 C HETATM 656 C5 BER A 101 -1.932 5.934 -0.778 1.00 0.00 C HETATM 657 C6 BER A 101 1.388 5.216 2.610 1.00 0.00 C HETATM 658 C7 BER A 101 -1.013 5.115 3.195 1.00 0.00 C HETATM 659 C8 BER A 101 2.067 5.319 0.310 1.00 0.00 C HETATM 660 C9 BER A 101 -3.864 6.089 1.102 1.00 0.00 C HETATM 661 C10 BER A 101 -2.216 6.002 2.862 1.00 0.00 C HETATM 662 C11 BER A 101 -3.199 6.159 -1.117 1.00 0.00 C HETATM 663 C12 BER A 101 2.392 5.147 1.650 1.00 0.00 C HETATM 664 C13 BER A 101 3.034 5.155 -0.675 1.00 0.00 C HETATM 665 C14 BER A 101 -4.153 6.227 -0.191 1.00 0.00 C HETATM 666 O1 BER A 101 -3.724 6.308 -2.362 1.00 0.00 O HETATM 667 C15 BER A 101 3.698 4.838 2.012 1.00 0.00 C HETATM 668 C16 BER A 101 4.341 4.846 -0.320 1.00 0.00 C HETATM 669 O2 BER A 101 -5.365 6.452 -0.764 1.00 0.00 O HETATM 670 C17 BER A 101 -5.067 6.760 -2.135 1.00 0.00 C HETATM 671 C18 BER A 101 4.666 4.700 1.023 1.00 0.00 C HETATM 672 O3 BER A 101 4.023 4.645 3.319 1.00 0.00 O HETATM 673 O4 BER A 101 5.945 4.500 1.440 1.00 0.00 O HETATM 674 C19 BER A 101 4.260 5.906 3.951 1.00 0.00 C HETATM 675 C20 BER A 101 6.807 4.396 0.303 1.00 0.00 C HETATM 0 H203 BER A 101 6.492 3.557 -0.317 1.00 0.00 H new HETATM 0 H202 BER A 101 6.755 5.316 -0.279 1.00 0.00 H new HETATM 0 H201 BER A 101 7.832 4.236 0.637 1.00 0.00 H new HETATM 0 H193 BER A 101 5.081 6.417 3.448 1.00 0.00 H new HETATM 0 H192 BER A 101 3.360 6.518 3.890 1.00 0.00 H new HETATM 0 H191 BER A 101 4.520 5.745 4.997 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.155 7.830 -2.322 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.765 6.261 -2.807 1.00 0.00 H new HETATM 0 H161 BER A 101 5.104 4.719 -1.088 1.00 0.00 H new HETATM 0 H131 BER A 101 2.767 5.269 -1.726 1.00 0.00 H new HETATM 0 H102 BER A 101 -1.978 7.045 3.071 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.062 5.735 3.496 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.662 6.162 1.841 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.287 4.062 3.138 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.670 5.301 4.213 1.00 0.00 H new HETATM 0 H61 BER A 101 1.635 5.106 3.666 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.169 5.875 -1.554 1.00 0.00 H new HETATM 0 H31 BER A 101 0.478 5.656 -1.101 1.00 0.00 H new