USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 238 hydrogens (148 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 10 DG O3' : rot 180:sc= 0 USER MOD Single : B 20 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 5CM A 1 -12.230 -1.972 -11.408 1.00 0.00 N HETATM 2 C2 5CM A 1 -11.205 -1.868 -12.355 1.00 0.00 C HETATM 3 N3 5CM A 1 -10.860 -0.648 -12.826 1.00 0.00 N HETATM 4 C4 5CM A 1 -11.493 0.440 -12.384 1.00 0.00 C HETATM 5 C5 5CM A 1 -12.542 0.365 -11.419 1.00 0.00 C HETATM 6 C5A 5CM A 1 -13.299 1.453 -11.197 1.00 0.00 C HETATM 7 C6 5CM A 1 -12.875 -0.850 -10.964 1.00 0.00 C HETATM 8 O2 5CM A 1 -10.638 -2.901 -12.741 1.00 0.00 O HETATM 9 N4 5CM A 1 -11.111 1.623 -12.870 1.00 0.00 N HETATM 10 C1' 5CM A 1 -12.598 -3.304 -10.899 1.00 0.00 C HETATM 11 C2' 5CM A 1 -12.820 -3.373 -9.399 1.00 0.00 C HETATM 12 C3' 5CM A 1 -13.852 -4.478 -9.263 1.00 0.00 C HETATM 13 C4' 5CM A 1 -14.676 -4.356 -10.544 1.00 0.00 C HETATM 14 O4' 5CM A 1 -13.829 -3.674 -11.501 1.00 0.00 O HETATM 15 O3' 5CM A 1 -13.218 -5.760 -9.200 1.00 0.00 O HETATM 16 C5' 5CM A 1 -15.966 -3.582 -10.399 1.00 0.00 C HETATM 17 O5' 5CM A 1 -16.908 -4.302 -9.596 1.00 0.00 O HETATM 0 HN42 5CM A 1 -11.572 2.477 -12.555 1.00 0.00 H new HETATM 0 HN41 5CM A 1 -10.358 1.673 -13.556 1.00 0.00 H new HETATM 0 H5A3 5CM A 1 -12.667 2.272 -10.852 1.00 0.00 H new HETATM 0 H5A2 5CM A 1 -13.797 1.744 -12.122 1.00 0.00 H new HETATM 0 H5A1 5CM A 1 -14.047 1.227 -10.437 1.00 0.00 H new HETATM 0 H5'' 5CM A 1 -15.763 -2.612 -9.946 1.00 0.00 H new HETATM 0 H2'' 5CM A 1 -11.900 -3.610 -8.864 1.00 0.00 H new HETATM 0 H6 5CM A 1 -13.673 -0.946 -10.228 1.00 0.00 H new HETATM 0 H5' 5CM A 1 -16.393 -3.391 -11.384 1.00 0.00 H new HETATM 0 H4' 5CM A 1 -14.976 -5.359 -10.848 1.00 0.00 H new HETATM 0 H3' 5CM A 1 -14.450 -4.388 -8.356 1.00 0.00 H new HETATM 0 H2' 5CM A 1 -13.185 -2.427 -9.000 1.00 0.00 H new HETATM 0 H1' 5CM A 1 -11.761 -3.960 -11.138 1.00 0.00 H new ATOM 31 P DG A 2 -12.527 -6.246 -7.830 1.00 0.00 P ATOM 32 OP1 DG A 2 -13.154 -7.538 -7.449 1.00 0.00 O ATOM 33 OP2 DG A 2 -12.534 -5.115 -6.865 1.00 0.00 O ATOM 34 O5' DG A 2 -11.016 -6.532 -8.243 1.00 0.00 O ATOM 35 C5' DG A 2 -10.703 -7.267 -9.428 1.00 0.00 C ATOM 36 C4' DG A 2 -9.231 -7.147 -9.743 1.00 0.00 C ATOM 37 O4' DG A 2 -8.976 -5.839 -10.311 1.00 0.00 O ATOM 38 C3' DG A 2 -8.300 -7.266 -8.536 1.00 0.00 C ATOM 39 O3' DG A 2 -7.095 -7.945 -8.904 1.00 0.00 O ATOM 40 C2' DG A 2 -8.013 -5.820 -8.171 1.00 0.00 C ATOM 41 C1' DG A 2 -8.025 -5.139 -9.526 1.00 0.00 C ATOM 42 N9 DG A 2 -8.415 -3.733 -9.501 1.00 0.00 N ATOM 43 C8 DG A 2 -9.397 -3.158 -8.733 1.00 0.00 C ATOM 44 N7 DG A 2 -9.523 -1.875 -8.935 1.00 0.00 N ATOM 45 C5 DG A 2 -8.563 -1.583 -9.895 1.00 0.00 C ATOM 46 C6 DG A 2 -8.223 -0.352 -10.515 1.00 0.00 C ATOM 47 O6 DG A 2 -8.722 0.764 -10.334 1.00 0.00 O ATOM 48 N1 DG A 2 -7.189 -0.508 -11.431 1.00 0.00 N ATOM 49 C2 DG A 2 -6.561 -1.696 -11.715 1.00 0.00 C ATOM 50 N2 DG A 2 -5.584 -1.649 -12.626 1.00 0.00 N ATOM 51 N3 DG A 2 -6.866 -2.849 -11.145 1.00 0.00 N ATOM 52 C4 DG A 2 -7.868 -2.721 -10.252 1.00 0.00 C ATOM 0 H5' DG A 2 -11.293 -6.891 -10.264 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.970 -8.316 -9.295 1.00 0.00 H new ATOM 0 H4' DG A 2 -9.020 -7.977 -10.417 1.00 0.00 H new ATOM 0 H3' DG A 2 -8.731 -7.834 -7.712 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.771 -5.411 -7.503 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.052 -5.710 -7.669 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.008 -5.162 -9.917 1.00 0.00 H new ATOM 0 H8 DG A 2 -10.004 -3.712 -8.032 1.00 0.00 H new ATOM 0 H1 DG A 2 -6.873 0.323 -11.930 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.081 -2.500 -12.879 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.342 -0.763 -13.069 1.00 0.00 H new HETATM 64 N1 5CM A 3 -3.660 -3.861 -7.650 1.00 0.00 N HETATM 65 C2 5CM A 3 -3.485 -2.535 -8.064 1.00 0.00 C HETATM 66 N3 5CM A 3 -4.465 -1.632 -7.829 1.00 0.00 N HETATM 67 C4 5CM A 3 -5.580 -2.008 -7.198 1.00 0.00 C HETATM 68 C5 5CM A 3 -5.783 -3.350 -6.758 1.00 0.00 C HETATM 69 C5A 5CM A 3 -6.819 -3.618 -5.946 1.00 0.00 C HETATM 70 C6 5CM A 3 -4.808 -4.235 -7.005 1.00 0.00 C HETATM 71 O2 5CM A 3 -2.433 -2.218 -8.638 1.00 0.00 O HETATM 72 N4 5CM A 3 -6.517 -1.083 -6.987 1.00 0.00 N HETATM 73 C1' 5CM A 3 -2.592 -4.837 -7.934 1.00 0.00 C HETATM 74 C2' 5CM A 3 -2.435 -5.952 -6.910 1.00 0.00 C HETATM 75 C3' 5CM A 3 -2.004 -7.137 -7.755 1.00 0.00 C HETATM 76 C4' 5CM A 3 -2.712 -6.894 -9.086 1.00 0.00 C HETATM 77 O4' 5CM A 3 -2.903 -5.462 -9.173 1.00 0.00 O HETATM 78 O3' 5CM A 3 -0.586 -7.143 -7.944 1.00 0.00 O HETATM 79 C5' 5CM A 3 -4.052 -7.577 -9.234 1.00 0.00 C HETATM 80 O5' 5CM A 3 -4.780 -7.509 -8.007 1.00 0.00 O HETATM 81 P 5CM A 3 -6.064 -8.420 -7.764 1.00 0.00 P HETATM 82 OP1 5CM A 3 -5.695 -9.827 -8.061 1.00 0.00 O HETATM 83 OP2 5CM A 3 -6.631 -8.077 -6.435 1.00 0.00 O HETATM 0 HN42 5CM A 3 -7.382 -1.333 -6.508 1.00 0.00 H new HETATM 0 HN41 5CM A 3 -6.369 -0.125 -7.305 1.00 0.00 H new HETATM 0 H5A3 5CM A 3 -6.720 -3.041 -5.027 1.00 0.00 H new HETATM 0 H5A2 5CM A 3 -7.751 -3.350 -6.444 1.00 0.00 H new HETATM 0 H5A1 5CM A 3 -6.829 -4.682 -5.707 1.00 0.00 H new HETATM 0 H5'' 5CM A 3 -4.624 -7.102 -10.031 1.00 0.00 H new HETATM 0 H2'' 5CM A 3 -1.690 -5.703 -6.154 1.00 0.00 H new HETATM 0 H6 5CM A 3 -4.931 -5.270 -6.687 1.00 0.00 H new HETATM 0 H5' 5CM A 3 -3.908 -8.618 -9.522 1.00 0.00 H new HETATM 0 H4' 5CM A 3 -2.095 -7.315 -9.880 1.00 0.00 H new HETATM 0 H3' 5CM A 3 -2.253 -8.094 -7.298 1.00 0.00 H new HETATM 0 H2' 5CM A 3 -3.369 -6.150 -6.384 1.00 0.00 H new HETATM 0 H1' 5CM A 3 -1.660 -4.271 -7.928 1.00 0.00 H new ATOM 97 P DG A 4 0.369 -7.789 -6.823 1.00 0.00 P ATOM 98 OP1 DG A 4 1.234 -8.786 -7.504 1.00 0.00 O ATOM 99 OP2 DG A 4 -0.465 -8.210 -5.668 1.00 0.00 O ATOM 100 O5' DG A 4 1.287 -6.574 -6.358 1.00 0.00 O ATOM 101 C5' DG A 4 1.905 -5.711 -7.314 1.00 0.00 C ATOM 102 C4' DG A 4 2.094 -4.332 -6.728 1.00 0.00 C ATOM 103 O4' DG A 4 0.795 -3.707 -6.594 1.00 0.00 O ATOM 104 C3' DG A 4 2.733 -4.307 -5.335 1.00 0.00 C ATOM 105 O3' DG A 4 3.847 -3.408 -5.315 1.00 0.00 O ATOM 106 C2' DG A 4 1.629 -3.802 -4.420 1.00 0.00 C ATOM 107 C1' DG A 4 0.729 -3.027 -5.360 1.00 0.00 C ATOM 108 N9 DG A 4 -0.672 -2.964 -4.954 1.00 0.00 N ATOM 109 C8 DG A 4 -1.408 -3.961 -4.363 1.00 0.00 C ATOM 110 N7 DG A 4 -2.639 -3.611 -4.108 1.00 0.00 N ATOM 111 C5 DG A 4 -2.722 -2.302 -4.562 1.00 0.00 C ATOM 112 C6 DG A 4 -3.814 -1.394 -4.558 1.00 0.00 C ATOM 113 O6 DG A 4 -4.961 -1.570 -4.133 1.00 0.00 O ATOM 114 N1 DG A 4 -3.464 -0.171 -5.119 1.00 0.00 N ATOM 115 C2 DG A 4 -2.222 0.141 -5.618 1.00 0.00 C ATOM 116 N2 DG A 4 -2.080 1.371 -6.120 1.00 0.00 N ATOM 117 N3 DG A 4 -1.197 -0.692 -5.626 1.00 0.00 N ATOM 118 C4 DG A 4 -1.516 -1.889 -5.088 1.00 0.00 C ATOM 0 H5' DG A 4 1.290 -5.651 -8.212 1.00 0.00 H new ATOM 0 H5'' DG A 4 2.869 -6.121 -7.615 1.00 0.00 H new ATOM 0 H4' DG A 4 2.768 -3.814 -7.411 1.00 0.00 H new ATOM 0 H3' DG A 4 3.111 -5.284 -5.032 1.00 0.00 H new ATOM 0 H2' DG A 4 1.097 -4.623 -3.939 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.023 -3.168 -3.625 1.00 0.00 H new ATOM 0 H1' DG A 4 1.075 -1.994 -5.386 1.00 0.00 H new ATOM 0 H8 DG A 4 -1.008 -4.937 -4.132 1.00 0.00 H new ATOM 0 H1 DG A 4 -4.184 0.550 -5.164 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.182 1.664 -6.506 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.869 2.017 -6.117 1.00 0.00 H new HETATM 130 P 0DC A 5 5.051 -3.646 -4.275 1.00 0.00 P HETATM 131 OP1 0DC A 5 6.314 -3.755 -5.048 1.00 0.00 O HETATM 132 OP2 0DC A 5 4.652 -4.749 -3.363 1.00 0.00 O HETATM 133 O5' 0DC A 5 5.101 -2.296 -3.428 1.00 0.00 O HETATM 134 C5' 0DC A 5 4.340 -2.149 -2.226 1.00 0.00 C HETATM 135 C4' 0DC A 5 3.946 -0.703 -2.030 1.00 0.00 C HETATM 136 O4' 0DC A 5 2.736 -0.652 -1.235 1.00 0.00 O HETATM 137 C3' 0DC A 5 3.636 0.064 -3.316 1.00 0.00 C HETATM 138 O3' 0DC A 5 4.076 1.422 -3.203 1.00 0.00 O HETATM 139 C2' 0DC A 5 2.123 0.003 -3.407 1.00 0.00 C HETATM 140 C1' 0DC A 5 1.704 0.012 -1.949 1.00 0.00 C HETATM 141 N1 0DC A 5 0.440 -0.689 -1.674 1.00 0.00 N HETATM 142 C2 0DC A 5 -0.742 0.054 -1.590 1.00 0.00 C HETATM 143 O2 0DC A 5 -0.692 1.283 -1.743 1.00 0.00 O HETATM 144 N3 0DC A 5 -1.908 -0.585 -1.343 1.00 0.00 N HETATM 145 C4 0DC A 5 -1.920 -1.910 -1.182 1.00 0.00 C HETATM 146 N4 0DC A 5 -3.091 -2.498 -0.947 1.00 0.00 N HETATM 147 C5 0DC A 5 -0.731 -2.691 -1.258 1.00 0.00 C HETATM 148 C6 0DC A 5 0.416 -2.046 -1.504 1.00 0.00 C HETATM 0 H5'' 0DC A 5 3.448 -2.773 -2.273 1.00 0.00 H new HETATM 0 H2'' 0DC A 5 1.715 0.855 -3.951 1.00 0.00 H new HETATM 0 H6 0DC A 5 1.346 -2.611 -1.570 1.00 0.00 H new HETATM 0 H5' 0DC A 5 4.925 -2.493 -1.373 1.00 0.00 H new HETATM 0 H5 0DC A 5 -0.754 -3.772 -1.121 1.00 0.00 H new HETATM 0 H42 0DC A 5 -3.137 -3.509 -0.819 1.00 0.00 H new HETATM 0 H41 0DC A 5 -3.942 -1.938 -0.895 1.00 0.00 H new HETATM 0 H4' 0DC A 5 4.811 -0.236 -1.560 1.00 0.00 H new HETATM 0 H3' 0DC A 5 4.133 -0.351 -4.193 1.00 0.00 H new HETATM 0 H2' 0DC A 5 1.784 -0.896 -3.921 1.00 0.00 H new HETATM 0 H1' 0DC A 5 1.547 1.049 -1.653 1.00 0.00 H new HETATM 160 P 0DG A 6 5.175 1.997 -4.226 1.00 0.00 P HETATM 161 OP1 0DG A 6 4.899 3.441 -4.431 1.00 0.00 O HETATM 162 OP2 0DG A 6 5.236 1.088 -5.400 1.00 0.00 O HETATM 163 O5' 0DG A 6 6.549 1.864 -3.429 1.00 0.00 O HETATM 164 C5' 0DG A 6 6.699 2.423 -2.122 1.00 0.00 C HETATM 165 C4' 0DG A 6 8.117 2.230 -1.634 1.00 0.00 C HETATM 166 O4' 0DG A 6 8.291 0.848 -1.245 1.00 0.00 O HETATM 167 C3' 0DG A 6 8.499 3.058 -0.409 1.00 0.00 C HETATM 168 O3' 0DG A 6 9.887 3.415 -0.464 1.00 0.00 O HETATM 169 C2' 0DG A 6 8.215 2.120 0.751 1.00 0.00 C HETATM 170 C1' 0DG A 6 8.415 0.732 0.166 1.00 0.00 C HETATM 171 N9 0DG A 6 7.438 -0.251 0.622 1.00 0.00 N HETATM 172 C8 0DG A 6 7.671 -1.570 0.922 1.00 0.00 C HETATM 173 N7 0DG A 6 6.600 -2.206 1.314 1.00 0.00 N HETATM 174 C5 0DG A 6 5.597 -1.248 1.267 1.00 0.00 C HETATM 175 C6 0DG A 6 4.216 -1.345 1.581 1.00 0.00 C HETATM 176 O6 0DG A 6 3.583 -2.330 1.977 1.00 0.00 O HETATM 177 N1 0DG A 6 3.562 -0.133 1.393 1.00 0.00 N HETATM 178 C2 0DG A 6 4.158 1.025 0.959 1.00 0.00 C HETATM 179 N2 0DG A 6 3.357 2.089 0.837 1.00 0.00 N HETATM 180 N3 0DG A 6 5.442 1.132 0.666 1.00 0.00 N HETATM 181 C4 0DG A 6 6.097 -0.035 0.840 1.00 0.00 C HETATM 0 H5'' 0DG A 6 6.454 3.485 -2.142 1.00 0.00 H new HETATM 0 H2'' 0DG A 6 8.893 2.302 1.585 1.00 0.00 H new HETATM 0 H8 0DG A 6 8.651 -2.039 0.841 1.00 0.00 H new HETATM 0 H5' 0DG A 6 6.001 1.948 -1.433 1.00 0.00 H new HETATM 0 H4' 0DG A 6 8.747 2.547 -2.465 1.00 0.00 H new HETATM 0 H3' 0DG A 6 7.952 3.997 -0.330 1.00 0.00 H new HETATM 0 H22 0DG A 6 3.738 2.980 0.519 1.00 0.00 H new HETATM 0 H21 0DG A 6 2.365 2.009 1.062 1.00 0.00 H new HETATM 0 H2' 0DG A 6 7.201 2.250 1.129 1.00 0.00 H new HETATM 0 H1' 0DG A 6 9.393 0.378 0.491 1.00 0.00 H new HETATM 0 H1 0DG A 6 2.562 -0.102 1.593 1.00 0.00 H new HETATM 193 N1 5CM A 7 7.360 3.395 4.870 1.00 0.00 N HETATM 194 C2 5CM A 7 6.046 2.964 5.073 1.00 0.00 C HETATM 195 N3 5CM A 7 5.718 1.683 4.792 1.00 0.00 N HETATM 196 C4 5CM A 7 6.644 0.844 4.326 1.00 0.00 C HETATM 197 C5 5CM A 7 7.994 1.254 4.110 1.00 0.00 C HETATM 198 C5A 5CM A 7 8.928 0.317 3.881 1.00 0.00 C HETATM 199 C6 5CM A 7 8.303 2.528 4.390 1.00 0.00 C HETATM 200 O2 5CM A 7 5.211 3.769 5.508 1.00 0.00 O HETATM 201 N4 5CM A 7 6.269 -0.409 4.061 1.00 0.00 N HETATM 202 C1' 5CM A 7 7.697 4.796 5.186 1.00 0.00 C HETATM 203 C2' 5CM A 7 9.181 5.081 5.380 1.00 0.00 C HETATM 204 C3' 5CM A 7 9.629 5.829 4.131 1.00 0.00 C HETATM 205 C4' 5CM A 7 8.383 5.900 3.246 1.00 0.00 C HETATM 206 O4' 5CM A 7 7.266 5.601 4.108 1.00 0.00 O HETATM 207 O3' 5CM A 7 10.061 7.151 4.473 1.00 0.00 O HETATM 208 C5' 5CM A 7 8.369 4.940 2.080 1.00 0.00 C HETATM 209 O5' 5CM A 7 9.349 5.323 1.110 1.00 0.00 O HETATM 210 P 5CM A 7 10.527 4.333 0.693 1.00 0.00 P HETATM 211 OP1 5CM A 7 11.612 5.144 0.086 1.00 0.00 O HETATM 212 OP2 5CM A 7 10.834 3.451 1.850 1.00 0.00 O HETATM 0 HN42 5CM A 7 6.949 -1.080 3.703 1.00 0.00 H new HETATM 0 HN41 5CM A 7 5.303 -0.696 4.216 1.00 0.00 H new HETATM 0 H5A3 5CM A 7 8.980 -0.360 4.733 1.00 0.00 H new HETATM 0 H5A2 5CM A 7 8.666 -0.246 2.985 1.00 0.00 H new HETATM 0 H5A1 5CM A 7 9.897 0.796 3.738 1.00 0.00 H new HETATM 0 H5'' 5CM A 7 8.571 3.928 2.431 1.00 0.00 H new HETATM 0 H2'' 5CM A 7 9.350 5.679 6.275 1.00 0.00 H new HETATM 0 H6 5CM A 7 9.323 2.879 4.233 1.00 0.00 H new HETATM 0 H5' 5CM A 7 7.380 4.927 1.622 1.00 0.00 H new HETATM 0 H4' 5CM A 7 8.349 6.892 2.795 1.00 0.00 H new HETATM 0 H3' 5CM A 7 10.464 5.334 3.634 1.00 0.00 H new HETATM 0 H2' 5CM A 7 9.744 4.156 5.504 1.00 0.00 H new HETATM 0 H1' 5CM A 7 7.205 5.011 6.135 1.00 0.00 H new ATOM 226 P DG A 8 11.372 7.354 5.381 1.00 0.00 P ATOM 227 OP1 DG A 8 11.937 8.695 5.086 1.00 0.00 O ATOM 228 OP2 DG A 8 12.225 6.148 5.222 1.00 0.00 O ATOM 229 O5' DG A 8 10.810 7.366 6.872 1.00 0.00 O ATOM 230 C5' DG A 8 9.642 8.114 7.215 1.00 0.00 C ATOM 231 C4' DG A 8 8.913 7.447 8.359 1.00 0.00 C ATOM 232 O4' DG A 8 8.360 6.197 7.901 1.00 0.00 O ATOM 233 C3' DG A 8 9.790 7.081 9.556 1.00 0.00 C ATOM 234 O3' DG A 8 9.716 8.102 10.558 1.00 0.00 O ATOM 235 C2' DG A 8 9.185 5.783 10.074 1.00 0.00 C ATOM 236 C1' DG A 8 8.176 5.349 9.016 1.00 0.00 C ATOM 237 N9 DG A 8 8.345 3.971 8.570 1.00 0.00 N ATOM 238 C8 DG A 8 9.500 3.388 8.112 1.00 0.00 C ATOM 239 N7 DG A 8 9.354 2.128 7.806 1.00 0.00 N ATOM 240 C5 DG A 8 8.018 1.863 8.073 1.00 0.00 C ATOM 241 C6 DG A 8 7.273 0.664 7.938 1.00 0.00 C ATOM 242 O6 DG A 8 7.659 -0.442 7.542 1.00 0.00 O ATOM 243 N1 DG A 8 5.948 0.836 8.323 1.00 0.00 N ATOM 244 C2 DG A 8 5.405 2.015 8.771 1.00 0.00 C ATOM 245 N2 DG A 8 4.106 1.986 9.084 1.00 0.00 N ATOM 246 N3 DG A 8 6.087 3.141 8.901 1.00 0.00 N ATOM 247 C4 DG A 8 7.378 2.994 8.539 1.00 0.00 C ATOM 0 H5' DG A 8 8.983 8.191 6.350 1.00 0.00 H new ATOM 0 H5'' DG A 8 9.921 9.130 7.495 1.00 0.00 H new ATOM 0 H4' DG A 8 8.172 8.180 8.680 1.00 0.00 H new ATOM 0 H3' DG A 8 10.843 6.978 9.292 1.00 0.00 H new ATOM 0 H2' DG A 8 9.953 5.023 10.218 1.00 0.00 H new ATOM 0 H2'' DG A 8 8.701 5.934 11.039 1.00 0.00 H new ATOM 0 H1' DG A 8 7.181 5.415 9.456 1.00 0.00 H new ATOM 0 H8 DG A 8 10.436 3.919 8.015 1.00 0.00 H new ATOM 0 H1 DG A 8 5.332 0.025 8.268 1.00 0.00 H new ATOM 0 H21 DG A 8 3.644 2.830 9.423 1.00 0.00 H new ATOM 0 H22 DG A 8 3.577 1.120 8.984 1.00 0.00 H new HETATM 259 N1 5CM A 9 8.212 3.005 12.707 1.00 0.00 N HETATM 260 C2 5CM A 9 7.682 1.715 12.611 1.00 0.00 C HETATM 261 N3 5CM A 9 8.358 0.772 11.914 1.00 0.00 N HETATM 262 C4 5CM A 9 9.517 1.079 11.329 1.00 0.00 C HETATM 263 C5 5CM A 9 10.083 2.387 11.412 1.00 0.00 C HETATM 264 C5A 5CM A 9 11.344 2.578 10.996 1.00 0.00 C HETATM 265 C6 5CM A 9 9.400 3.310 12.103 1.00 0.00 C HETATM 266 O2 5CM A 9 6.604 1.467 13.168 1.00 0.00 O HETATM 267 N4 5CM A 9 10.145 0.118 10.650 1.00 0.00 N HETATM 268 C1' 5CM A 9 7.473 4.024 13.471 1.00 0.00 C HETATM 269 C2' 5CM A 9 8.145 4.465 14.752 1.00 0.00 C HETATM 270 C3' 5CM A 9 7.591 5.866 14.956 1.00 0.00 C HETATM 271 C4' 5CM A 9 7.223 6.336 13.543 1.00 0.00 C HETATM 272 O4' 5CM A 9 7.382 5.187 12.678 1.00 0.00 O HETATM 273 O3' 5CM A 9 6.421 5.830 15.783 1.00 0.00 O HETATM 274 C5' 5CM A 9 8.070 7.466 13.006 1.00 0.00 C HETATM 275 O5' 5CM A 9 9.418 7.028 12.822 1.00 0.00 O HETATM 276 P 5CM A 9 10.453 7.891 11.972 1.00 0.00 P HETATM 277 OP1 5CM A 9 10.575 9.225 12.613 1.00 0.00 O HETATM 278 OP2 5CM A 9 11.673 7.071 11.751 1.00 0.00 O HETATM 0 HN42 5CM A 9 11.033 0.316 10.190 1.00 0.00 H new HETATM 0 HN41 5CM A 9 9.737 -0.815 10.591 1.00 0.00 H new HETATM 0 H5A3 5CM A 9 12.018 1.951 11.580 1.00 0.00 H new HETATM 0 H5A2 5CM A 9 11.423 2.313 9.942 1.00 0.00 H new HETATM 0 H5A1 5CM A 9 11.616 3.625 11.128 1.00 0.00 H new HETATM 0 H5'' 5CM A 9 7.662 7.818 12.059 1.00 0.00 H new HETATM 0 H2'' 5CM A 9 7.899 3.807 15.585 1.00 0.00 H new HETATM 0 H6 5CM A 9 9.798 4.321 12.185 1.00 0.00 H new HETATM 0 H5' 5CM A 9 8.045 8.309 13.697 1.00 0.00 H new HETATM 0 H4' 5CM A 9 6.207 6.729 13.579 1.00 0.00 H new HETATM 0 H3' 5CM A 9 8.304 6.526 15.449 1.00 0.00 H new HETATM 0 H2' 5CM A 9 9.231 4.469 14.659 1.00 0.00 H new HETATM 0 H1' 5CM A 9 6.518 3.565 13.725 1.00 0.00 H new ATOM 292 P DG A 10 6.558 5.490 17.350 1.00 0.00 P ATOM 293 OP1 DG A 10 5.734 6.465 18.109 1.00 0.00 O ATOM 294 OP2 DG A 10 8.004 5.351 17.664 1.00 0.00 O ATOM 295 O5' DG A 10 5.885 4.052 17.491 1.00 0.00 O ATOM 296 C5' DG A 10 4.544 3.822 17.056 1.00 0.00 C ATOM 297 C4' DG A 10 4.103 2.426 17.431 1.00 0.00 C ATOM 298 O4' DG A 10 4.764 1.477 16.557 1.00 0.00 O ATOM 299 C3' DG A 10 4.452 1.997 18.857 1.00 0.00 C ATOM 300 O3' DG A 10 3.424 1.170 19.409 1.00 0.00 O ATOM 301 C2' DG A 10 5.728 1.196 18.679 1.00 0.00 C ATOM 302 C1' DG A 10 5.518 0.552 17.322 1.00 0.00 C ATOM 303 N9 DG A 10 6.749 0.265 16.593 1.00 0.00 N ATOM 304 C8 DG A 10 7.783 1.134 16.343 1.00 0.00 C ATOM 305 N7 DG A 10 8.758 0.595 15.666 1.00 0.00 N ATOM 306 C5 DG A 10 8.343 -0.713 15.455 1.00 0.00 C ATOM 307 C6 DG A 10 8.985 -1.782 14.780 1.00 0.00 C ATOM 308 O6 DG A 10 10.084 -1.785 14.213 1.00 0.00 O ATOM 309 N1 DG A 10 8.214 -2.940 14.802 1.00 0.00 N ATOM 310 C2 DG A 10 6.980 -3.052 15.396 1.00 0.00 C ATOM 311 N2 DG A 10 6.385 -4.246 15.310 1.00 0.00 N ATOM 312 N3 DG A 10 6.371 -2.064 16.027 1.00 0.00 N ATOM 313 C4 DG A 10 7.105 -0.932 16.019 1.00 0.00 C ATOM 0 H5' DG A 10 4.477 3.954 15.976 1.00 0.00 H new ATOM 0 H5'' DG A 10 3.877 4.555 17.509 1.00 0.00 H new ATOM 0 H4' DG A 10 3.017 2.439 17.341 1.00 0.00 H new ATOM 0 H3' DG A 10 4.560 2.842 19.536 1.00 0.00 H new ATOM 0 H2' DG A 10 6.613 1.832 18.695 1.00 0.00 H new ATOM 0 H2'' DG A 10 5.855 0.453 19.466 1.00 0.00 H new ATOM 0 HO3' DG A 10 3.670 0.907 20.320 1.00 0.00 H new ATOM 0 H1' DG A 10 5.027 -0.408 17.480 1.00 0.00 H new ATOM 0 H8 DG A 10 7.788 2.162 16.674 1.00 0.00 H new ATOM 0 H1 DG A 10 8.593 -3.768 14.343 1.00 0.00 H new ATOM 0 H21 DG A 10 5.468 -4.390 15.732 1.00 0.00 H new ATOM 0 H22 DG A 10 6.849 -5.013 14.823 1.00 0.00 H new TER 326 DG A 10 HETATM 327 N1 5CM B 11 9.444 -7.551 13.118 1.00 0.00 N HETATM 328 C2 5CM B 11 8.839 -6.410 13.652 1.00 0.00 C HETATM 329 N3 5CM B 11 9.510 -5.237 13.638 1.00 0.00 N HETATM 330 C4 5CM B 11 10.738 -5.177 13.119 1.00 0.00 C HETATM 331 C5 5CM B 11 11.381 -6.325 12.569 1.00 0.00 C HETATM 332 C5A 5CM B 11 12.669 -6.241 12.200 1.00 0.00 C HETATM 333 C6 5CM B 11 10.704 -7.481 12.590 1.00 0.00 C HETATM 334 O2 5CM B 11 7.698 -6.504 14.124 1.00 0.00 O HETATM 335 N4 5CM B 11 11.359 -3.998 13.129 1.00 0.00 N HETATM 336 C1' 5CM B 11 8.704 -8.822 13.138 1.00 0.00 C HETATM 337 C2' 5CM B 11 8.508 -9.458 11.773 1.00 0.00 C HETATM 338 C3' 5CM B 11 8.441 -10.936 12.113 1.00 0.00 C HETATM 339 C4' 5CM B 11 9.400 -11.065 13.296 1.00 0.00 C HETATM 340 O4' 5CM B 11 9.451 -9.752 13.906 1.00 0.00 O HETATM 341 O3' 5CM B 11 7.116 -11.315 12.506 1.00 0.00 O HETATM 342 C5' 5CM B 11 10.806 -11.488 12.935 1.00 0.00 C HETATM 343 O5' 5CM B 11 10.905 -12.913 12.851 1.00 0.00 O HETATM 0 HN42 5CM B 11 12.299 -3.913 12.741 1.00 0.00 H new HETATM 0 HN41 5CM B 11 10.895 -3.180 13.525 1.00 0.00 H new HETATM 0 H5A3 5CM B 11 12.778 -5.475 11.432 1.00 0.00 H new HETATM 0 H5A2 5CM B 11 13.279 -5.977 13.064 1.00 0.00 H new HETATM 0 H5A1 5CM B 11 12.997 -7.202 11.804 1.00 0.00 H new HETATM 0 H5'' 5CM B 11 11.090 -11.043 11.982 1.00 0.00 H new HETATM 0 H2'' 5CM B 11 7.595 -9.110 11.289 1.00 0.00 H new HETATM 0 H6 5CM B 11 11.164 -8.380 12.180 1.00 0.00 H new HETATM 0 H5' 5CM B 11 11.506 -11.114 13.683 1.00 0.00 H new HETATM 0 H4' 5CM B 11 9.026 -11.852 13.951 1.00 0.00 H new HETATM 0 H3' 5CM B 11 8.700 -11.576 11.269 1.00 0.00 H new HETATM 0 H2' 5CM B 11 9.333 -9.233 11.097 1.00 0.00 H new HETATM 0 H1' 5CM B 11 7.719 -8.592 13.544 1.00 0.00 H new ATOM 357 P DG B 12 5.890 -11.124 11.482 1.00 0.00 P ATOM 358 OP1 DG B 12 4.832 -12.090 11.873 1.00 0.00 O ATOM 359 OP2 DG B 12 6.424 -11.143 10.096 1.00 0.00 O ATOM 360 O5' DG B 12 5.358 -9.655 11.793 1.00 0.00 O ATOM 361 C5' DG B 12 4.764 -9.339 13.054 1.00 0.00 C ATOM 362 C4' DG B 12 3.891 -8.113 12.929 1.00 0.00 C ATOM 363 O4' DG B 12 4.731 -6.935 13.022 1.00 0.00 O ATOM 364 C3' DG B 12 3.130 -7.991 11.604 1.00 0.00 C ATOM 365 O3' DG B 12 1.800 -7.515 11.842 1.00 0.00 O ATOM 366 C2' DG B 12 3.941 -6.974 10.817 1.00 0.00 C ATOM 367 C1' DG B 12 4.521 -6.094 11.905 1.00 0.00 C ATOM 368 N9 DG B 12 5.796 -5.473 11.561 1.00 0.00 N ATOM 369 C8 DG B 12 6.880 -6.080 10.974 1.00 0.00 C ATOM 370 N7 DG B 12 7.880 -5.267 10.776 1.00 0.00 N ATOM 371 C5 DG B 12 7.431 -4.048 11.264 1.00 0.00 C ATOM 372 C6 DG B 12 8.077 -2.788 11.322 1.00 0.00 C ATOM 373 O6 DG B 12 9.213 -2.488 10.943 1.00 0.00 O ATOM 374 N1 DG B 12 7.259 -1.818 11.895 1.00 0.00 N ATOM 375 C2 DG B 12 5.984 -2.036 12.356 1.00 0.00 C ATOM 376 N2 DG B 12 5.352 -0.979 12.875 1.00 0.00 N ATOM 377 N3 DG B 12 5.372 -3.205 12.311 1.00 0.00 N ATOM 378 C4 DG B 12 6.147 -4.159 11.755 1.00 0.00 C ATOM 0 H5' DG B 12 5.542 -9.165 13.797 1.00 0.00 H new ATOM 0 H5'' DG B 12 4.170 -10.183 13.406 1.00 0.00 H new ATOM 0 H4' DG B 12 3.155 -8.202 13.728 1.00 0.00 H new ATOM 0 H3' DG B 12 3.026 -8.939 11.076 1.00 0.00 H new ATOM 0 H2' DG B 12 4.721 -7.451 10.223 1.00 0.00 H new ATOM 0 H2'' DG B 12 3.317 -6.406 10.127 1.00 0.00 H new ATOM 0 H1' DG B 12 3.824 -5.276 12.084 1.00 0.00 H new ATOM 0 H8 DG B 12 6.902 -7.125 10.704 1.00 0.00 H new ATOM 0 H1 DG B 12 7.635 -0.874 11.979 1.00 0.00 H new ATOM 0 H21 DG B 12 4.402 -1.078 13.234 1.00 0.00 H new ATOM 0 H22 DG B 12 5.819 -0.073 12.912 1.00 0.00 H new HETATM 390 N1 5CM B 13 2.289 -2.558 8.837 1.00 0.00 N HETATM 391 C2 5CM B 13 3.078 -1.411 8.689 1.00 0.00 C HETATM 392 N3 5CM B 13 4.384 -1.543 8.364 1.00 0.00 N HETATM 393 C4 5CM B 13 4.906 -2.757 8.179 1.00 0.00 C HETATM 394 C5 5CM B 13 4.125 -3.943 8.316 1.00 0.00 C HETATM 395 C5A 5CM B 13 4.650 -5.116 7.930 1.00 0.00 C HETATM 396 C6 5CM B 13 2.835 -3.798 8.648 1.00 0.00 C HETATM 397 O2 5CM B 13 2.558 -0.299 8.859 1.00 0.00 O HETATM 398 N4 5CM B 13 6.198 -2.833 7.857 1.00 0.00 N HETATM 399 C1' 5CM B 13 0.869 -2.395 9.203 1.00 0.00 C HETATM 400 C2' 5CM B 13 -0.072 -3.454 8.631 1.00 0.00 C HETATM 401 C3' 5CM B 13 -0.992 -3.796 9.791 1.00 0.00 C HETATM 402 C4' 5CM B 13 -0.129 -3.519 11.018 1.00 0.00 C HETATM 403 O4' 5CM B 13 0.782 -2.471 10.619 1.00 0.00 O HETATM 404 O3' 5CM B 13 -2.147 -2.949 9.798 1.00 0.00 O HETATM 405 C5' 5CM B 13 0.672 -4.695 11.529 1.00 0.00 C HETATM 406 O5' 5CM B 13 1.006 -5.571 10.452 1.00 0.00 O HETATM 407 P 5CM B 13 0.845 -7.149 10.601 1.00 0.00 P HETATM 408 OP1 5CM B 13 -0.556 -7.435 10.999 1.00 0.00 O HETATM 409 OP2 5CM B 13 1.407 -7.791 9.384 1.00 0.00 O HETATM 0 HN42 5CM B 13 6.634 -3.743 7.707 1.00 0.00 H new HETATM 0 HN41 5CM B 13 6.750 -1.981 7.760 1.00 0.00 H new HETATM 0 H5A3 5CM B 13 4.897 -5.073 6.869 1.00 0.00 H new HETATM 0 H5A2 5CM B 13 5.554 -5.317 8.505 1.00 0.00 H new HETATM 0 H5A1 5CM B 13 3.926 -5.913 8.102 1.00 0.00 H new HETATM 0 H5'' 5CM B 13 1.581 -4.341 12.015 1.00 0.00 H new HETATM 0 H2'' 5CM B 13 -0.632 -3.071 7.778 1.00 0.00 H new HETATM 0 H6 5CM B 13 2.210 -4.683 8.770 1.00 0.00 H new HETATM 0 H5' 5CM B 13 0.098 -5.235 12.282 1.00 0.00 H new HETATM 0 H4' 5CM B 13 -0.791 -3.259 11.844 1.00 0.00 H new HETATM 0 H3' 5CM B 13 -1.366 -4.819 9.744 1.00 0.00 H new HETATM 0 H2' 5CM B 13 0.477 -4.330 8.285 1.00 0.00 H new HETATM 0 H1' 5CM B 13 0.551 -1.440 8.786 1.00 0.00 H new ATOM 423 P DG B 14 -3.437 -3.347 8.923 1.00 0.00 P ATOM 424 OP1 DG B 14 -4.522 -3.751 9.852 1.00 0.00 O ATOM 425 OP2 DG B 14 -2.992 -4.286 7.860 1.00 0.00 O ATOM 426 O5' DG B 14 -3.862 -1.982 8.220 1.00 0.00 O ATOM 427 C5' DG B 14 -3.759 -0.735 8.911 1.00 0.00 C ATOM 428 C4' DG B 14 -3.545 0.390 7.925 1.00 0.00 C ATOM 429 O4' DG B 14 -2.137 0.443 7.592 1.00 0.00 O ATOM 430 C3' DG B 14 -4.299 0.236 6.600 1.00 0.00 C ATOM 431 O3' DG B 14 -4.915 1.476 6.229 1.00 0.00 O ATOM 432 C2' DG B 14 -3.219 -0.143 5.602 1.00 0.00 C ATOM 433 C1' DG B 14 -1.970 0.481 6.189 1.00 0.00 C ATOM 434 N9 DG B 14 -0.729 -0.217 5.866 1.00 0.00 N ATOM 435 C8 DG B 14 -0.561 -1.567 5.674 1.00 0.00 C ATOM 436 N7 DG B 14 0.668 -1.899 5.393 1.00 0.00 N ATOM 437 C5 DG B 14 1.358 -0.694 5.401 1.00 0.00 C ATOM 438 C6 DG B 14 2.731 -0.417 5.164 1.00 0.00 C ATOM 439 O6 DG B 14 3.643 -1.206 4.890 1.00 0.00 O ATOM 440 N1 DG B 14 3.004 0.942 5.271 1.00 0.00 N ATOM 441 C2 DG B 14 2.078 1.910 5.572 1.00 0.00 C ATOM 442 N2 DG B 14 2.534 3.166 5.637 1.00 0.00 N ATOM 443 N3 DG B 14 0.798 1.667 5.793 1.00 0.00 N ATOM 444 C4 DG B 14 0.510 0.353 5.692 1.00 0.00 C ATOM 0 H5' DG B 14 -2.931 -0.770 9.619 1.00 0.00 H new ATOM 0 H5'' DG B 14 -4.665 -0.555 9.489 1.00 0.00 H new ATOM 0 H4' DG B 14 -3.921 1.287 8.416 1.00 0.00 H new ATOM 0 H3' DG B 14 -5.098 -0.504 6.653 1.00 0.00 H new ATOM 0 H2' DG B 14 -3.122 -1.224 5.506 1.00 0.00 H new ATOM 0 H2'' DG B 14 -3.435 0.248 4.608 1.00 0.00 H new ATOM 0 H1' DG B 14 -1.869 1.482 5.770 1.00 0.00 H new ATOM 0 H8 DG B 14 -1.367 -2.282 5.748 1.00 0.00 H new ATOM 0 H1 DG B 14 3.966 1.243 5.114 1.00 0.00 H new ATOM 0 H21 DG B 14 1.895 3.930 5.857 1.00 0.00 H new ATOM 0 H22 DG B 14 3.521 3.360 5.467 1.00 0.00 H new HETATM 456 P 0DC B 15 -6.309 1.467 5.425 1.00 0.00 P HETATM 457 OP1 0DC B 15 -7.305 2.229 6.220 1.00 0.00 O HETATM 458 OP2 0DC B 15 -6.605 0.065 5.029 1.00 0.00 O HETATM 459 O5' 0DC B 15 -5.992 2.295 4.100 1.00 0.00 O HETATM 460 C5' 0DC B 15 -5.459 1.656 2.939 1.00 0.00 C HETATM 461 C4' 0DC B 15 -4.589 2.618 2.163 1.00 0.00 C HETATM 462 O4' 0DC B 15 -3.582 1.863 1.446 1.00 0.00 O HETATM 463 C3' 0DC B 15 -3.820 3.630 3.013 1.00 0.00 C HETATM 464 O3' 0DC B 15 -3.689 4.869 2.308 1.00 0.00 O HETATM 465 C2' 0DC B 15 -2.464 2.973 3.197 1.00 0.00 C HETATM 466 C1' 0DC B 15 -2.281 2.221 1.889 1.00 0.00 C HETATM 467 N1 0DC B 15 -1.486 0.987 2.001 1.00 0.00 N HETATM 468 C2 0DC B 15 -0.111 1.040 1.746 1.00 0.00 C HETATM 469 O2 0DC B 15 0.403 2.125 1.436 1.00 0.00 O HETATM 470 N3 0DC B 15 0.623 -0.091 1.845 1.00 0.00 N HETATM 471 C4 0DC B 15 0.034 -1.239 2.184 1.00 0.00 C HETATM 472 N4 0DC B 15 0.797 -2.328 2.268 1.00 0.00 N HETATM 473 C5 0DC B 15 -1.363 -1.322 2.449 1.00 0.00 C HETATM 474 C6 0DC B 15 -2.077 -0.196 2.347 1.00 0.00 C HETATM 0 H5'' 0DC B 15 -4.876 0.783 3.232 1.00 0.00 H new HETATM 0 H2'' 0DC B 15 -1.675 3.708 3.356 1.00 0.00 H new HETATM 0 H6 0DC B 15 -3.149 -0.222 2.543 1.00 0.00 H new HETATM 0 H5' 0DC B 15 -6.272 1.299 2.307 1.00 0.00 H new HETATM 0 H5 0DC B 15 -1.832 -2.267 2.724 1.00 0.00 H new HETATM 0 H42 0DC B 15 0.381 -3.223 2.525 1.00 0.00 H new HETATM 0 H41 0DC B 15 1.797 -2.266 2.076 1.00 0.00 H new HETATM 0 H4' 0DC B 15 -5.280 3.169 1.525 1.00 0.00 H new HETATM 0 H3' 0DC B 15 -4.311 3.863 3.958 1.00 0.00 H new HETATM 0 H2' 0DC B 15 -2.452 2.302 4.056 1.00 0.00 H new HETATM 0 H1' 0DC B 15 -1.738 2.873 1.205 1.00 0.00 H new HETATM 486 P 0DG B 16 -4.305 6.218 2.933 1.00 0.00 P HETATM 487 OP1 0DG B 16 -3.389 7.334 2.584 1.00 0.00 O HETATM 488 OP2 0DG B 16 -4.638 5.963 4.359 1.00 0.00 O HETATM 489 O5' 0DG B 16 -5.669 6.427 2.134 1.00 0.00 O HETATM 490 C5' 0DG B 16 -5.683 6.510 0.706 1.00 0.00 C HETATM 491 C4' 0DG B 16 -7.103 6.437 0.192 1.00 0.00 C HETATM 492 O4' 0DG B 16 -7.648 5.132 0.508 1.00 0.00 O HETATM 493 C3' 0DG B 16 -7.254 6.584 -1.322 1.00 0.00 C HETATM 494 O3' 0DG B 16 -8.513 7.198 -1.635 1.00 0.00 O HETATM 495 C2' 0DG B 16 -7.207 5.146 -1.802 1.00 0.00 C HETATM 496 C1' 0DG B 16 -7.946 4.425 -0.688 1.00 0.00 C HETATM 497 N9 0DG B 16 -7.555 3.033 -0.494 1.00 0.00 N HETATM 498 C8 0DG B 16 -8.339 2.019 -0.001 1.00 0.00 C HETATM 499 N7 0DG B 16 -7.720 0.874 0.064 1.00 0.00 N HETATM 500 C5 0DG B 16 -6.446 1.146 -0.416 1.00 0.00 C HETATM 501 C6 0DG B 16 -5.324 0.295 -0.580 1.00 0.00 C HETATM 502 O6 0DG B 16 -5.229 -0.910 -0.322 1.00 0.00 O HETATM 503 N1 0DG B 16 -4.232 0.980 -1.100 1.00 0.00 N HETATM 504 C2 0DG B 16 -4.218 2.315 -1.418 1.00 0.00 C HETATM 505 N2 0DG B 16 -3.068 2.794 -1.906 1.00 0.00 N HETATM 506 N3 0DG B 16 -5.255 3.122 -1.269 1.00 0.00 N HETATM 507 C4 0DG B 16 -6.328 2.475 -0.766 1.00 0.00 C HETATM 0 H5'' 0DG B 16 -5.220 7.443 0.384 1.00 0.00 H new HETATM 0 H2'' 0DG B 16 -7.698 5.020 -2.767 1.00 0.00 H new HETATM 0 H8 0DG B 16 -9.376 2.158 0.305 1.00 0.00 H new HETATM 0 H5' 0DG B 16 -5.093 5.698 0.282 1.00 0.00 H new HETATM 0 H4' 0DG B 16 -7.616 7.272 0.670 1.00 0.00 H new HETATM 0 H3' 0DG B 16 -6.493 7.212 -1.786 1.00 0.00 H new HETATM 0 H22 0DG B 16 -2.993 3.779 -2.162 1.00 0.00 H new HETATM 0 H21 0DG B 16 -2.266 2.175 -2.022 1.00 0.00 H new HETATM 0 H2' 0DG B 16 -6.185 4.785 -1.915 1.00 0.00 H new HETATM 0 H1' 0DG B 16 -9.003 4.405 -0.952 1.00 0.00 H new HETATM 0 H1 0DG B 16 -3.375 0.450 -1.257 1.00 0.00 H new HETATM 519 N1 5CM B 17 -6.231 3.957 -5.771 1.00 0.00 N HETATM 520 C2 5CM B 17 -5.271 2.940 -5.778 1.00 0.00 C HETATM 521 N3 5CM B 17 -5.545 1.765 -5.166 1.00 0.00 N HETATM 522 C4 5CM B 17 -6.723 1.587 -4.565 1.00 0.00 C HETATM 523 C5 5CM B 17 -7.719 2.608 -4.537 1.00 0.00 C HETATM 524 C5A 5CM B 17 -8.835 2.417 -3.817 1.00 0.00 C HETATM 525 C6 5CM B 17 -7.433 3.766 -5.147 1.00 0.00 C HETATM 526 O2 5CM B 17 -4.188 3.141 -6.348 1.00 0.00 O HETATM 527 N4 5CM B 17 -6.952 0.409 -3.982 1.00 0.00 N HETATM 528 C1' 5CM B 17 -5.923 5.228 -6.444 1.00 0.00 C HETATM 529 C2' 5CM B 17 -6.895 5.622 -7.536 1.00 0.00 C HETATM 530 C3' 5CM B 17 -6.731 7.130 -7.565 1.00 0.00 C HETATM 531 C4' 5CM B 17 -6.477 7.482 -6.097 1.00 0.00 C HETATM 532 O4' 5CM B 17 -5.990 6.264 -5.478 1.00 0.00 O HETATM 533 O3' 5CM B 17 -5.605 7.497 -8.370 1.00 0.00 O HETATM 534 C5' 5CM B 17 -7.695 7.970 -5.349 1.00 0.00 C HETATM 535 O5' 5CM B 17 -7.656 7.523 -3.992 1.00 0.00 O HETATM 536 P 5CM B 17 -9.000 7.300 -3.166 1.00 0.00 P HETATM 537 OP1 5CM B 17 -9.834 8.520 -3.302 1.00 0.00 O HETATM 538 OP2 5CM B 17 -9.567 5.980 -3.548 1.00 0.00 O HETATM 0 HN42 5CM B 17 -7.841 0.236 -3.513 1.00 0.00 H new HETATM 0 HN41 5CM B 17 -6.238 -0.319 -4.005 1.00 0.00 H new HETATM 0 H5A3 5CM B 17 -9.361 1.537 -4.187 1.00 0.00 H new HETATM 0 H5A2 5CM B 17 -8.571 2.268 -2.770 1.00 0.00 H new HETATM 0 H5A1 5CM B 17 -9.481 3.290 -3.908 1.00 0.00 H new HETATM 0 H5'' 5CM B 17 -7.737 9.059 -5.379 1.00 0.00 H new HETATM 0 H2'' 5CM B 17 -6.643 5.164 -8.493 1.00 0.00 H new HETATM 0 H6 5CM B 17 -8.170 4.569 -5.146 1.00 0.00 H new HETATM 0 H5' 5CM B 17 -8.599 7.603 -5.834 1.00 0.00 H new HETATM 0 H4' 5CM B 17 -5.770 8.311 -6.056 1.00 0.00 H new HETATM 0 H3' 5CM B 17 -7.592 7.648 -7.989 1.00 0.00 H new HETATM 0 H2' 5CM B 17 -7.917 5.326 -7.300 1.00 0.00 H new HETATM 0 H1' 5CM B 17 -4.942 5.090 -6.900 1.00 0.00 H new ATOM 552 P DG B 18 -5.792 8.542 -9.576 1.00 0.00 P ATOM 553 OP1 DG B 18 -5.544 9.901 -9.030 1.00 0.00 O ATOM 554 OP2 DG B 18 -7.080 8.249 -10.256 1.00 0.00 O ATOM 555 O5' DG B 18 -4.611 8.188 -10.585 1.00 0.00 O ATOM 556 C5' DG B 18 -3.245 8.246 -10.170 1.00 0.00 C ATOM 557 C4' DG B 18 -2.386 7.398 -11.079 1.00 0.00 C ATOM 558 O4' DG B 18 -2.423 6.029 -10.612 1.00 0.00 O ATOM 559 C3' DG B 18 -2.828 7.351 -12.540 1.00 0.00 C ATOM 560 O3' DG B 18 -1.692 7.221 -13.402 1.00 0.00 O ATOM 561 C2' DG B 18 -3.700 6.111 -12.606 1.00 0.00 C ATOM 562 C1' DG B 18 -3.126 5.201 -11.528 1.00 0.00 C ATOM 563 N9 DG B 18 -4.132 4.461 -10.772 1.00 0.00 N ATOM 564 C8 DG B 18 -5.383 4.899 -10.414 1.00 0.00 C ATOM 565 N7 DG B 18 -6.066 4.014 -9.743 1.00 0.00 N ATOM 566 C5 DG B 18 -5.214 2.923 -9.647 1.00 0.00 C ATOM 567 C6 DG B 18 -5.404 1.662 -9.029 1.00 0.00 C ATOM 568 O6 DG B 18 -6.396 1.242 -8.425 1.00 0.00 O ATOM 569 N1 DG B 18 -4.283 0.850 -9.165 1.00 0.00 N ATOM 570 C2 DG B 18 -3.128 1.206 -9.816 1.00 0.00 C ATOM 571 N2 DG B 18 -2.157 0.285 -9.841 1.00 0.00 N ATOM 572 N3 DG B 18 -2.937 2.378 -10.400 1.00 0.00 N ATOM 573 C4 DG B 18 -4.014 3.182 -10.278 1.00 0.00 C ATOM 0 H5' DG B 18 -3.155 7.896 -9.142 1.00 0.00 H new ATOM 0 H5'' DG B 18 -2.896 9.278 -10.187 1.00 0.00 H new ATOM 0 H4' DG B 18 -1.400 7.862 -11.043 1.00 0.00 H new ATOM 0 H3' DG B 18 -3.350 8.253 -12.860 1.00 0.00 H new ATOM 0 H2' DG B 18 -4.746 6.348 -12.413 1.00 0.00 H new ATOM 0 H2'' DG B 18 -3.655 5.643 -13.589 1.00 0.00 H new ATOM 0 H1' DG B 18 -2.499 4.462 -12.027 1.00 0.00 H new ATOM 0 H8 DG B 18 -5.763 5.879 -10.663 1.00 0.00 H new ATOM 0 H1 DG B 18 -4.322 -0.081 -8.749 1.00 0.00 H new ATOM 0 H21 DG B 18 -1.274 0.488 -10.309 1.00 0.00 H new ATOM 0 H22 DG B 18 -2.300 -0.620 -9.392 1.00 0.00 H new HETATM 585 N1 5CM B 19 -5.017 2.863 -14.461 1.00 0.00 N HETATM 586 C2 5CM B 19 -5.470 1.727 -13.785 1.00 0.00 C HETATM 587 N3 5CM B 19 -6.476 1.844 -12.889 1.00 0.00 N HETATM 588 C4 5CM B 19 -7.030 3.037 -12.661 1.00 0.00 C HETATM 589 C5 5CM B 19 -6.591 4.214 -13.338 1.00 0.00 C HETATM 590 C5A 5CM B 19 -7.319 5.337 -13.231 1.00 0.00 C HETATM 591 C6 5CM B 19 -5.588 4.082 -14.219 1.00 0.00 C HETATM 592 O2 5CM B 19 -4.936 0.635 -14.026 1.00 0.00 O HETATM 593 N4 5CM B 19 -8.021 3.102 -11.770 1.00 0.00 N HETATM 594 C1' 5CM B 19 -3.918 2.718 -15.432 1.00 0.00 C HETATM 595 C2' 5CM B 19 -4.101 3.457 -16.740 1.00 0.00 C HETATM 596 C3' 5CM B 19 -2.667 3.656 -17.209 1.00 0.00 C HETATM 597 C4' 5CM B 19 -1.844 3.648 -15.914 1.00 0.00 C HETATM 598 O4' 5CM B 19 -2.754 3.265 -14.856 1.00 0.00 O HETATM 599 O3' 5CM B 19 -2.262 2.574 -18.056 1.00 0.00 O HETATM 600 C5' 5CM B 19 -1.210 4.971 -15.550 1.00 0.00 C HETATM 601 O5' 5CM B 19 -2.192 6.008 -15.557 1.00 0.00 O HETATM 602 P 5CM B 19 -1.858 7.457 -14.985 1.00 0.00 P HETATM 603 OP1 5CM B 19 -0.542 7.882 -15.529 1.00 0.00 O HETATM 604 OP2 5CM B 19 -3.050 8.318 -15.196 1.00 0.00 O HETATM 0 HN42 5CM B 19 -8.469 3.996 -11.569 1.00 0.00 H new HETATM 0 HN41 5CM B 19 -8.331 2.257 -11.289 1.00 0.00 H new HETATM 0 H5A3 5CM B 19 -8.322 5.158 -13.618 1.00 0.00 H new HETATM 0 H5A2 5CM B 19 -7.381 5.632 -12.184 1.00 0.00 H new HETATM 0 H5A1 5CM B 19 -6.846 6.134 -13.805 1.00 0.00 H new HETATM 0 H5'' 5CM B 19 -0.750 4.903 -14.564 1.00 0.00 H new HETATM 0 H2'' 5CM B 19 -4.685 2.878 -17.455 1.00 0.00 H new HETATM 0 H6 5CM B 19 -5.222 4.960 -14.751 1.00 0.00 H new HETATM 0 H5' 5CM B 19 -0.415 5.208 -16.257 1.00 0.00 H new HETATM 0 H4' 5CM B 19 -1.011 2.960 -16.057 1.00 0.00 H new HETATM 0 H3' 5CM B 19 -2.540 4.572 -17.786 1.00 0.00 H new HETATM 0 H2' 5CM B 19 -4.618 4.406 -16.601 1.00 0.00 H new HETATM 0 H1' 5CM B 19 -3.874 1.652 -15.654 1.00 0.00 H new ATOM 618 P DG B 20 -2.601 2.616 -19.628 1.00 0.00 P ATOM 619 OP1 DG B 20 -1.314 2.737 -20.359 1.00 0.00 O ATOM 620 OP2 DG B 20 -3.671 3.622 -19.856 1.00 0.00 O ATOM 621 O5' DG B 20 -3.207 1.173 -19.928 1.00 0.00 O ATOM 622 C5' DG B 20 -2.512 -0.012 -19.539 1.00 0.00 C ATOM 623 C4' DG B 20 -3.453 -1.195 -19.537 1.00 0.00 C ATOM 624 O4' DG B 20 -4.356 -1.071 -18.411 1.00 0.00 O ATOM 625 C3' DG B 20 -4.342 -1.321 -20.776 1.00 0.00 C ATOM 626 O3' DG B 20 -4.544 -2.695 -21.115 1.00 0.00 O ATOM 627 C2' DG B 20 -5.648 -0.686 -20.335 1.00 0.00 C ATOM 628 C1' DG B 20 -5.701 -1.045 -18.861 1.00 0.00 C ATOM 629 N9 DG B 20 -6.433 -0.098 -18.027 1.00 0.00 N ATOM 630 C8 DG B 20 -6.445 1.271 -18.138 1.00 0.00 C ATOM 631 N7 DG B 20 -7.197 1.855 -17.245 1.00 0.00 N ATOM 632 C5 DG B 20 -7.716 0.805 -16.497 1.00 0.00 C ATOM 633 C6 DG B 20 -8.601 0.816 -15.389 1.00 0.00 C ATOM 634 O6 DG B 20 -9.120 1.786 -14.825 1.00 0.00 O ATOM 635 N1 DG B 20 -8.871 -0.472 -14.937 1.00 0.00 N ATOM 636 C2 DG B 20 -8.352 -1.620 -15.479 1.00 0.00 C ATOM 637 N2 DG B 20 -8.728 -2.767 -14.902 1.00 0.00 N ATOM 638 N3 DG B 20 -7.525 -1.646 -16.510 1.00 0.00 N ATOM 639 C4 DG B 20 -7.253 -0.406 -16.966 1.00 0.00 C ATOM 0 H5' DG B 20 -2.081 0.120 -18.547 1.00 0.00 H new ATOM 0 H5'' DG B 20 -1.685 -0.198 -20.224 1.00 0.00 H new ATOM 0 H4' DG B 20 -2.805 -2.071 -19.499 1.00 0.00 H new ATOM 0 H3' DG B 20 -3.911 -0.850 -21.659 1.00 0.00 H new ATOM 0 H2' DG B 20 -5.649 0.393 -20.491 1.00 0.00 H new ATOM 0 H2'' DG B 20 -6.501 -1.088 -20.882 1.00 0.00 H new ATOM 0 HO3' DG B 20 -5.116 -2.755 -21.908 1.00 0.00 H new ATOM 0 H1' DG B 20 -6.228 -1.995 -18.771 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.888 1.811 -18.889 1.00 0.00 H new ATOM 0 H1 DG B 20 -9.503 -0.570 -14.142 1.00 0.00 H new ATOM 0 H21 DG B 20 -8.377 -3.656 -15.258 1.00 0.00 H new ATOM 0 H22 DG B 20 -9.366 -2.752 -14.106 1.00 0.00 H new TER 652 DG B 20