USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 173 hydrogens (0 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 70:sc= 0.795 USER MOD Single : A 3 DT C7 :methyl -30:sc= 0 (180deg=-0.225) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl -30:sc= 0 (180deg=-1.2) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.672 (180deg=-2.72!) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.891 (180deg=-0.891) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.626 (180deg=-2.63) USER MOD Single : A 15 DG O3' : rot 180:sc=-0.00496 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.507 -1.875 -9.554 1.00 0.37 O ATOM 2 C5' DG A 1 6.095 -0.801 -10.434 1.00 0.42 C ATOM 3 C4' DG A 1 6.898 -0.751 -11.745 1.00 0.31 C ATOM 4 O4' DG A 1 8.275 -0.606 -11.363 1.00 0.30 O ATOM 5 C3' DG A 1 6.811 -2.026 -12.599 1.00 0.26 C ATOM 6 O3' DG A 1 6.924 -1.734 -14.002 1.00 0.22 O ATOM 7 C2' DG A 1 8.033 -2.700 -12.009 1.00 0.22 C ATOM 8 C1' DG A 1 9.071 -1.642 -11.930 1.00 0.22 C ATOM 9 N9 DG A 1 10.236 -2.002 -11.079 1.00 0.19 N ATOM 10 C8 DG A 1 11.519 -2.300 -11.462 1.00 0.25 C ATOM 11 N7 DG A 1 12.305 -2.582 -10.464 1.00 0.27 N ATOM 12 C5 DG A 1 11.496 -2.464 -9.344 1.00 0.21 C ATOM 13 C6 DG A 1 11.819 -2.659 -7.971 1.00 0.24 C ATOM 14 O6 DG A 1 12.897 -2.975 -7.478 1.00 0.29 O ATOM 15 N1 DG A 1 10.745 -2.448 -7.149 1.00 0.21 N ATOM 16 C2 DG A 1 9.501 -2.095 -7.598 1.00 0.20 C ATOM 17 N2 DG A 1 8.548 -1.909 -6.707 1.00 0.25 N ATOM 18 N3 DG A 1 9.178 -1.914 -8.877 1.00 0.19 N ATOM 19 C4 DG A 1 10.228 -2.113 -9.704 1.00 0.17 C ATOM 0 H5' DG A 1 6.204 0.150 -9.912 1.00 0.42 H new ATOM 0 H5'' DG A 1 5.037 -0.917 -10.668 1.00 0.42 H new ATOM 0 H4' DG A 1 6.492 0.062 -12.346 1.00 0.31 H new ATOM 0 H3' DG A 1 5.887 -2.603 -12.569 1.00 0.26 H new ATOM 0 H2' DG A 1 7.816 -3.112 -11.023 1.00 0.22 H new ATOM 0 H2'' DG A 1 8.364 -3.529 -12.635 1.00 0.22 H new ATOM 0 HO5' DG A 1 7.396 -1.678 -9.192 1.00 0.37 H new ATOM 0 H1' DG A 1 9.560 -1.408 -12.875 1.00 0.22 H new ATOM 0 H8 DG A 1 11.845 -2.301 -12.492 1.00 0.25 H new ATOM 0 H1 DG A 1 10.879 -2.560 -6.144 1.00 0.21 H new ATOM 0 H21 DG A 1 7.611 -1.645 -7.010 1.00 0.25 H new ATOM 0 H22 DG A 1 8.748 -2.029 -5.714 1.00 0.25 H new ATOM 32 P DG A 2 6.760 -2.865 -15.149 1.00 0.25 P ATOM 33 OP1 DG A 2 7.071 -2.216 -16.422 1.00 0.30 O ATOM 34 OP2 DG A 2 5.512 -3.645 -15.014 1.00 0.35 O ATOM 35 O5' DG A 2 7.993 -3.882 -14.820 1.00 0.19 O ATOM 36 C5' DG A 2 9.396 -3.655 -15.060 1.00 0.17 C ATOM 37 C4' DG A 2 10.344 -4.631 -14.313 1.00 0.18 C ATOM 38 O4' DG A 2 10.393 -4.414 -12.881 1.00 0.23 O ATOM 39 C3' DG A 2 10.062 -6.126 -14.539 1.00 0.18 C ATOM 40 O3' DG A 2 11.243 -6.828 -14.941 1.00 0.29 O ATOM 41 C2' DG A 2 9.789 -6.504 -13.105 1.00 0.26 C ATOM 42 C1' DG A 2 10.723 -5.658 -12.293 1.00 0.20 C ATOM 43 N9 DG A 2 10.663 -5.706 -10.826 1.00 0.16 N ATOM 44 C8 DG A 2 9.653 -5.237 -9.984 1.00 0.18 C ATOM 45 N7 DG A 2 9.916 -5.404 -8.712 1.00 0.18 N ATOM 46 C5 DG A 2 11.189 -6.003 -8.739 1.00 0.14 C ATOM 47 C6 DG A 2 12.011 -6.425 -7.639 1.00 0.18 C ATOM 48 O6 DG A 2 11.780 -6.350 -6.428 1.00 0.25 O ATOM 49 N1 DG A 2 13.169 -6.970 -8.066 1.00 0.17 N ATOM 50 C2 DG A 2 13.537 -7.118 -9.369 1.00 0.19 C ATOM 51 N2 DG A 2 14.687 -7.694 -9.638 1.00 0.25 N ATOM 52 N3 DG A 2 12.775 -6.728 -10.385 1.00 0.19 N ATOM 53 C4 DG A 2 11.629 -6.187 -10.009 1.00 0.14 C ATOM 0 H5' DG A 2 9.641 -2.634 -14.766 1.00 0.17 H new ATOM 0 H5'' DG A 2 9.586 -3.733 -16.131 1.00 0.17 H new ATOM 0 H4' DG A 2 11.304 -4.387 -14.768 1.00 0.18 H new ATOM 0 H3' DG A 2 9.301 -6.338 -15.290 1.00 0.18 H new ATOM 0 H2' DG A 2 8.750 -6.312 -12.838 1.00 0.26 H new ATOM 0 H2'' DG A 2 9.971 -7.565 -12.936 1.00 0.26 H new ATOM 0 H1' DG A 2 11.762 -5.985 -12.341 1.00 0.20 H new ATOM 0 H8 DG A 2 8.744 -4.781 -10.346 1.00 0.18 H new ATOM 0 H1 DG A 2 13.822 -7.298 -7.355 1.00 0.17 H new ATOM 0 H21 DG A 2 14.982 -7.815 -10.607 1.00 0.25 H new ATOM 0 H22 DG A 2 15.284 -8.020 -8.878 1.00 0.25 H new ATOM 65 P DT A 3 11.202 -8.058 -15.947 1.00 0.25 P ATOM 66 OP1 DT A 3 12.220 -9.007 -15.496 1.00 0.43 O ATOM 67 OP2 DT A 3 11.271 -7.484 -17.281 1.00 0.32 O ATOM 68 O5' DT A 3 9.760 -8.675 -15.701 1.00 0.31 O ATOM 69 C5' DT A 3 9.491 -9.775 -14.815 1.00 0.32 C ATOM 70 C4' DT A 3 7.990 -9.895 -14.475 1.00 0.30 C ATOM 71 O4' DT A 3 7.194 -9.891 -15.667 1.00 0.30 O ATOM 72 C3' DT A 3 7.441 -8.755 -13.666 1.00 0.24 C ATOM 73 O3' DT A 3 7.704 -8.880 -12.271 1.00 0.24 O ATOM 74 C2' DT A 3 5.907 -8.853 -13.932 1.00 0.32 C ATOM 75 C1' DT A 3 6.041 -9.085 -15.464 1.00 0.31 C ATOM 76 N1 DT A 3 6.076 -7.812 -16.186 1.00 0.43 N ATOM 77 C2 DT A 3 5.056 -6.968 -16.027 1.00 0.65 C ATOM 78 O2 DT A 3 4.099 -7.182 -15.325 1.00 0.75 O ATOM 79 N3 DT A 3 5.143 -5.812 -16.720 1.00 0.79 N ATOM 80 C4 DT A 3 6.116 -5.419 -17.539 1.00 0.79 C ATOM 81 O4 DT A 3 5.989 -4.372 -18.079 1.00 1.04 O ATOM 82 C5 DT A 3 7.145 -6.333 -17.651 1.00 0.68 C ATOM 83 C7 DT A 3 8.329 -6.046 -18.517 1.00 0.86 C ATOM 84 C6 DT A 3 7.090 -7.486 -16.982 1.00 0.54 C ATOM 0 H5' DT A 3 10.061 -9.646 -13.895 1.00 0.32 H new ATOM 0 H5'' DT A 3 9.833 -10.702 -15.275 1.00 0.32 H new ATOM 0 H4' DT A 3 7.933 -10.824 -13.907 1.00 0.30 H new ATOM 0 H3' DT A 3 7.894 -7.804 -13.948 1.00 0.24 H new ATOM 0 H2' DT A 3 5.424 -9.677 -13.406 1.00 0.32 H new ATOM 0 H2'' DT A 3 5.360 -7.946 -13.674 1.00 0.32 H new ATOM 0 H1' DT A 3 5.174 -9.608 -15.868 1.00 0.31 H new ATOM 0 H3 DT A 3 4.368 -5.160 -16.601 1.00 0.79 H new ATOM 0 H71 DT A 3 8.026 -5.409 -19.348 1.00 0.86 H new ATOM 0 H72 DT A 3 9.094 -5.537 -17.930 1.00 0.86 H new ATOM 0 H73 DT A 3 8.732 -6.982 -18.905 1.00 0.86 H new ATOM 0 H6 DT A 3 7.905 -8.186 -17.092 1.00 0.54 H new ATOM 97 P DT A 4 7.350 -7.738 -11.169 1.00 0.23 P ATOM 98 OP1 DT A 4 7.234 -6.430 -11.839 1.00 0.30 O ATOM 99 OP2 DT A 4 8.252 -7.889 -10.001 1.00 0.29 O ATOM 100 O5' DT A 4 5.817 -8.143 -10.779 1.00 0.21 O ATOM 101 C5' DT A 4 5.289 -9.344 -10.183 1.00 0.19 C ATOM 102 C4' DT A 4 5.717 -9.552 -8.732 1.00 0.17 C ATOM 103 O4' DT A 4 7.106 -9.962 -8.649 1.00 0.20 O ATOM 104 C3' DT A 4 5.551 -8.298 -7.851 1.00 0.15 C ATOM 105 O3' DT A 4 4.693 -8.383 -6.725 1.00 0.20 O ATOM 106 C2' DT A 4 7.027 -8.143 -7.419 1.00 0.21 C ATOM 107 C1' DT A 4 7.681 -9.505 -7.411 1.00 0.22 C ATOM 108 N1 DT A 4 9.148 -9.497 -7.413 1.00 0.19 N ATOM 109 C2 DT A 4 9.804 -9.011 -6.294 1.00 0.23 C ATOM 110 O2 DT A 4 9.212 -8.564 -5.326 1.00 0.34 O ATOM 111 N3 DT A 4 11.204 -9.035 -6.323 1.00 0.22 N ATOM 112 C4 DT A 4 11.979 -9.493 -7.361 1.00 0.18 C ATOM 113 O4 DT A 4 13.195 -9.484 -7.259 1.00 0.18 O ATOM 114 C5 DT A 4 11.232 -9.978 -8.493 1.00 0.22 C ATOM 115 C7 DT A 4 11.919 -10.519 -9.738 1.00 0.34 C ATOM 116 C6 DT A 4 9.862 -9.960 -8.471 1.00 0.21 C ATOM 0 H5' DT A 4 5.610 -10.202 -10.773 1.00 0.19 H new ATOM 0 H5'' DT A 4 4.200 -9.313 -10.230 1.00 0.19 H new ATOM 0 H4' DT A 4 5.052 -10.330 -8.357 1.00 0.17 H new ATOM 0 H3' DT A 4 5.066 -7.479 -8.383 1.00 0.15 H new ATOM 0 H2' DT A 4 7.552 -7.477 -8.104 1.00 0.21 H new ATOM 0 H2'' DT A 4 7.084 -7.692 -6.428 1.00 0.21 H new ATOM 0 H1' DT A 4 7.509 -10.110 -6.521 1.00 0.22 H new ATOM 0 H3 DT A 4 11.692 -8.681 -5.500 1.00 0.22 H new ATOM 0 H71 DT A 4 11.287 -11.276 -10.202 1.00 0.34 H new ATOM 0 H72 DT A 4 12.088 -9.705 -10.443 1.00 0.34 H new ATOM 0 H73 DT A 4 12.875 -10.964 -9.462 1.00 0.34 H new ATOM 0 H6 DT A 4 9.327 -10.330 -9.333 1.00 0.21 H new ATOM 129 P DG A 5 4.223 -7.038 -5.955 1.00 0.19 P ATOM 130 OP1 DG A 5 2.762 -6.939 -6.154 1.00 0.25 O ATOM 131 OP2 DG A 5 5.105 -5.921 -6.355 1.00 0.25 O ATOM 132 O5' DG A 5 4.523 -7.377 -4.404 1.00 0.17 O ATOM 133 C5' DG A 5 3.551 -7.582 -3.352 1.00 0.22 C ATOM 134 C4' DG A 5 3.720 -6.591 -2.192 1.00 0.24 C ATOM 135 O4' DG A 5 5.094 -6.606 -1.710 1.00 0.35 O ATOM 136 C3' DG A 5 3.414 -5.149 -2.676 1.00 0.20 C ATOM 137 O3' DG A 5 3.048 -4.291 -1.570 1.00 0.23 O ATOM 138 C2' DG A 5 4.873 -4.840 -3.098 1.00 0.24 C ATOM 139 C1' DG A 5 5.670 -5.309 -1.904 1.00 0.33 C ATOM 140 N9 DG A 5 7.141 -5.332 -2.061 1.00 0.36 N ATOM 141 C8 DG A 5 8.082 -5.366 -1.079 1.00 0.46 C ATOM 142 N7 DG A 5 9.310 -5.389 -1.515 1.00 0.45 N ATOM 143 C5 DG A 5 9.157 -5.371 -2.895 1.00 0.35 C ATOM 144 C6 DG A 5 10.127 -5.385 -3.917 1.00 0.31 C ATOM 145 O6 DG A 5 11.355 -5.409 -3.814 1.00 0.35 O ATOM 146 N1 DG A 5 9.571 -5.362 -5.158 1.00 0.24 N ATOM 147 C2 DG A 5 8.235 -5.327 -5.419 1.00 0.21 C ATOM 148 N2 DG A 5 7.873 -5.317 -6.692 1.00 0.22 N ATOM 149 N3 DG A 5 7.304 -5.313 -4.475 1.00 0.23 N ATOM 150 C4 DG A 5 7.843 -5.340 -3.238 1.00 0.30 C ATOM 0 H5' DG A 5 3.641 -8.600 -2.972 1.00 0.22 H new ATOM 0 H5'' DG A 5 2.547 -7.484 -3.765 1.00 0.22 H new ATOM 0 H4' DG A 5 3.034 -6.886 -1.398 1.00 0.24 H new ATOM 0 H3' DG A 5 2.612 -5.025 -3.404 1.00 0.20 H new ATOM 0 H2' DG A 5 5.153 -5.373 -4.007 1.00 0.24 H new ATOM 0 H2'' DG A 5 5.022 -3.778 -3.293 1.00 0.24 H new ATOM 0 H1' DG A 5 5.598 -4.629 -1.056 1.00 0.33 H new ATOM 0 H8 DG A 5 7.833 -5.373 -0.028 1.00 0.46 H new ATOM 0 H1 DG A 5 10.205 -5.372 -5.957 1.00 0.24 H new ATOM 0 H21 DG A 5 6.884 -5.291 -6.941 1.00 0.22 H new ATOM 0 H22 DG A 5 8.583 -5.335 -7.424 1.00 0.22 H new ATOM 162 P DG A 6 2.851 -2.689 -1.764 1.00 0.22 P ATOM 163 OP1 DG A 6 1.455 -2.417 -2.134 1.00 0.27 O ATOM 164 OP2 DG A 6 3.937 -2.190 -2.632 1.00 0.24 O ATOM 165 O5' DG A 6 3.078 -2.144 -0.279 1.00 0.29 O ATOM 166 C5' DG A 6 3.513 -0.808 0.031 1.00 0.25 C ATOM 167 C4' DG A 6 5.031 -0.744 0.345 1.00 0.22 C ATOM 168 O4' DG A 6 5.829 -1.197 -0.748 1.00 0.24 O ATOM 169 C3' DG A 6 5.539 0.632 0.737 1.00 0.22 C ATOM 170 O3' DG A 6 6.113 0.674 2.050 1.00 0.24 O ATOM 171 C2' DG A 6 6.549 0.827 -0.364 1.00 0.28 C ATOM 172 C1' DG A 6 7.084 -0.566 -0.659 1.00 0.23 C ATOM 173 N9 DG A 6 7.841 -0.828 -1.887 1.00 0.17 N ATOM 174 C8 DG A 6 7.361 -1.010 -3.162 1.00 0.18 C ATOM 175 N7 DG A 6 8.276 -1.280 -4.047 1.00 0.17 N ATOM 176 C5 DG A 6 9.453 -1.281 -3.311 1.00 0.15 C ATOM 177 C6 DG A 6 10.789 -1.526 -3.729 1.00 0.16 C ATOM 178 O6 DG A 6 11.194 -1.818 -4.847 1.00 0.21 O ATOM 179 N1 DG A 6 11.675 -1.441 -2.678 1.00 0.15 N ATOM 180 C2 DG A 6 11.335 -1.143 -1.387 1.00 0.14 C ATOM 181 N2 DG A 6 12.302 -1.043 -0.508 1.00 0.14 N ATOM 182 N3 DG A 6 10.089 -0.913 -0.979 1.00 0.15 N ATOM 183 C4 DG A 6 9.193 -1.001 -1.989 1.00 0.15 C ATOM 0 H5' DG A 6 2.951 -0.434 0.887 1.00 0.25 H new ATOM 0 H5'' DG A 6 3.289 -0.151 -0.809 1.00 0.25 H new ATOM 0 H4' DG A 6 5.133 -1.407 1.204 1.00 0.22 H new ATOM 0 H3' DG A 6 4.776 1.407 0.813 1.00 0.22 H new ATOM 0 H2' DG A 6 6.089 1.268 -1.248 1.00 0.28 H new ATOM 0 H2'' DG A 6 7.348 1.499 -0.052 1.00 0.28 H new ATOM 0 H1' DG A 6 7.836 -0.865 0.072 1.00 0.23 H new ATOM 0 H8 DG A 6 6.312 -0.935 -3.409 1.00 0.18 H new ATOM 0 H1 DG A 6 12.660 -1.613 -2.878 1.00 0.15 H new ATOM 0 H21 DG A 6 12.087 -0.822 0.464 1.00 0.14 H new ATOM 0 H22 DG A 6 13.270 -1.186 -0.796 1.00 0.14 H new ATOM 195 P DT A 7 5.349 0.203 3.391 1.00 0.25 P ATOM 196 OP1 DT A 7 4.814 -1.149 3.154 1.00 0.29 O ATOM 197 OP2 DT A 7 4.443 1.298 3.744 1.00 0.36 O ATOM 198 O5' DT A 7 6.499 0.137 4.525 1.00 0.26 O ATOM 199 C5' DT A 7 7.273 -1.038 4.832 1.00 0.22 C ATOM 200 C4' DT A 7 8.635 -1.015 4.134 1.00 0.18 C ATOM 201 O4' DT A 7 9.470 -2.124 4.489 1.00 0.20 O ATOM 202 C3' DT A 7 8.504 -1.069 2.616 1.00 0.18 C ATOM 203 O3' DT A 7 8.861 0.156 1.938 1.00 0.24 O ATOM 204 C2' DT A 7 9.422 -2.205 2.295 1.00 0.21 C ATOM 205 C1' DT A 7 10.446 -2.253 3.410 1.00 0.18 C ATOM 206 N1 DT A 7 11.279 -3.451 3.431 1.00 0.14 N ATOM 207 C2 DT A 7 12.127 -3.651 2.359 1.00 0.16 C ATOM 208 O2 DT A 7 12.220 -2.891 1.409 1.00 0.25 O ATOM 209 N3 DT A 7 12.896 -4.802 2.383 1.00 0.16 N ATOM 210 C4 DT A 7 12.892 -5.752 3.369 1.00 0.16 C ATOM 211 O4 DT A 7 13.615 -6.728 3.289 1.00 0.23 O ATOM 212 C5 DT A 7 11.984 -5.476 4.456 1.00 0.19 C ATOM 213 C7 DT A 7 11.885 -6.449 5.634 1.00 0.30 C ATOM 214 C6 DT A 7 11.212 -4.353 4.461 1.00 0.17 C ATOM 0 H5' DT A 7 6.722 -1.927 4.526 1.00 0.22 H new ATOM 0 H5'' DT A 7 7.417 -1.108 5.910 1.00 0.22 H new ATOM 0 H4' DT A 7 9.082 -0.078 4.466 1.00 0.18 H new ATOM 0 H3' DT A 7 7.477 -1.203 2.278 1.00 0.18 H new ATOM 0 H2' DT A 7 8.872 -3.144 2.232 1.00 0.21 H new ATOM 0 H2'' DT A 7 9.905 -2.054 1.330 1.00 0.21 H new ATOM 0 H1' DT A 7 11.254 -1.521 3.392 1.00 0.18 H new ATOM 0 H3 DT A 7 13.523 -4.956 1.594 1.00 0.16 H new ATOM 0 H71 DT A 7 12.103 -7.460 5.290 1.00 0.30 H new ATOM 0 H72 DT A 7 12.603 -6.164 6.403 1.00 0.30 H new ATOM 0 H73 DT A 7 10.878 -6.417 6.049 1.00 0.30 H new ATOM 0 H6 DT A 7 10.539 -4.172 5.286 1.00 0.17 H new ATOM 227 P DG A 8 10.182 1.040 2.160 1.00 0.24 P ATOM 228 OP1 DG A 8 11.344 0.368 1.533 1.00 0.22 O ATOM 229 OP2 DG A 8 10.225 1.396 3.586 1.00 0.35 O ATOM 230 O5' DG A 8 9.810 2.381 1.337 1.00 0.32 O ATOM 231 C5' DG A 8 10.730 3.300 0.732 1.00 0.28 C ATOM 232 C4' DG A 8 11.646 2.640 -0.315 1.00 0.22 C ATOM 233 O4' DG A 8 10.817 1.913 -1.241 1.00 0.27 O ATOM 234 C3' DG A 8 12.532 3.593 -1.154 1.00 0.22 C ATOM 235 O3' DG A 8 12.868 4.862 -0.557 1.00 0.25 O ATOM 236 C2' DG A 8 11.619 3.743 -2.313 1.00 0.33 C ATOM 237 C1' DG A 8 11.136 2.348 -2.566 1.00 0.29 C ATOM 238 N9 DG A 8 9.933 2.187 -3.403 1.00 0.34 N ATOM 239 C8 DG A 8 8.641 2.510 -3.075 1.00 0.38 C ATOM 240 N7 DG A 8 7.782 2.247 -4.029 1.00 0.46 N ATOM 241 C5 DG A 8 8.567 1.714 -5.064 1.00 0.44 C ATOM 242 C6 DG A 8 8.213 1.249 -6.342 1.00 0.50 C ATOM 243 O6 DG A 8 7.129 1.220 -6.875 1.00 0.58 O ATOM 244 N1 DG A 8 9.292 0.806 -7.029 1.00 0.50 N ATOM 245 C2 DG A 8 10.577 0.807 -6.553 1.00 0.47 C ATOM 246 N2 DG A 8 11.433 0.314 -7.429 1.00 0.51 N ATOM 247 N3 DG A 8 10.964 1.241 -5.347 1.00 0.41 N ATOM 248 C4 DG A 8 9.880 1.677 -4.672 1.00 0.39 C ATOM 0 H5' DG A 8 11.345 3.753 1.509 1.00 0.28 H new ATOM 0 H5'' DG A 8 10.170 4.106 0.259 1.00 0.28 H new ATOM 0 H4' DG A 8 12.332 2.022 0.264 1.00 0.22 H new ATOM 0 H3' DG A 8 13.535 3.209 -1.337 1.00 0.22 H new ATOM 0 H2' DG A 8 10.793 4.418 -2.088 1.00 0.33 H new ATOM 0 H2'' DG A 8 12.137 4.151 -3.181 1.00 0.33 H new ATOM 0 H1' DG A 8 11.895 1.799 -3.124 1.00 0.29 H new ATOM 0 H8 DG A 8 8.359 2.939 -2.125 1.00 0.38 H new ATOM 0 H1 DG A 8 9.137 0.445 -7.970 1.00 0.50 H new ATOM 0 H21 DG A 8 12.425 0.259 -7.197 1.00 0.51 H new ATOM 0 H22 DG A 8 11.102 -0.011 -8.337 1.00 0.51 H new ATOM 260 P DT A 9 14.024 4.959 0.535 1.00 0.24 P ATOM 261 OP1 DT A 9 13.562 4.319 1.768 1.00 0.32 O ATOM 262 OP2 DT A 9 14.483 6.345 0.569 1.00 0.40 O ATOM 263 O5' DT A 9 15.229 4.084 -0.055 1.00 0.31 O ATOM 264 C5' DT A 9 15.955 3.128 0.725 1.00 0.26 C ATOM 265 C4' DT A 9 16.787 2.215 -0.123 1.00 0.25 C ATOM 266 O4' DT A 9 15.951 1.492 -1.058 1.00 0.31 O ATOM 267 C3' DT A 9 17.844 2.977 -0.936 1.00 0.20 C ATOM 268 O3' DT A 9 19.093 2.295 -0.856 1.00 0.21 O ATOM 269 C2' DT A 9 17.157 2.876 -2.286 1.00 0.26 C ATOM 270 C1' DT A 9 16.647 1.454 -2.296 1.00 0.27 C ATOM 271 N1 DT A 9 15.922 1.090 -3.535 1.00 0.30 N ATOM 272 C2 DT A 9 14.528 1.139 -3.566 1.00 0.35 C ATOM 273 O2 DT A 9 13.835 1.464 -2.622 1.00 0.37 O ATOM 274 N3 DT A 9 13.930 0.783 -4.754 1.00 0.41 N ATOM 275 C4 DT A 9 14.585 0.390 -5.897 1.00 0.43 C ATOM 276 O4 DT A 9 13.926 0.111 -6.885 1.00 0.46 O ATOM 277 C5 DT A 9 16.023 0.366 -5.800 1.00 0.39 C ATOM 278 C7 DT A 9 16.884 -0.063 -6.976 1.00 0.43 C ATOM 279 C6 DT A 9 16.632 0.707 -4.652 1.00 0.34 C ATOM 0 H5' DT A 9 15.254 2.535 1.313 1.00 0.26 H new ATOM 0 H5'' DT A 9 16.600 3.653 1.430 1.00 0.26 H new ATOM 0 H4' DT A 9 17.288 1.532 0.563 1.00 0.25 H new ATOM 0 H3' DT A 9 18.102 3.994 -0.639 1.00 0.20 H new ATOM 0 H2' DT A 9 16.346 3.597 -2.382 1.00 0.26 H new ATOM 0 H2'' DT A 9 17.849 3.063 -3.107 1.00 0.26 H new ATOM 0 H1' DT A 9 17.370 0.640 -2.343 1.00 0.27 H new ATOM 0 H3 DT A 9 12.911 0.814 -4.789 1.00 0.41 H new ATOM 0 H71 DT A 9 16.339 -0.787 -7.581 1.00 0.43 H new ATOM 0 H72 DT A 9 17.129 0.808 -7.585 1.00 0.43 H new ATOM 0 H73 DT A 9 17.803 -0.518 -6.607 1.00 0.43 H new ATOM 0 H6 DT A 9 17.711 0.680 -4.603 1.00 0.34 H new ATOM 292 P DG A 10 20.122 2.002 -2.025 1.00 0.30 P ATOM 293 OP1 DG A 10 20.550 3.295 -2.577 1.00 0.39 O ATOM 294 OP2 DG A 10 19.546 1.004 -2.924 1.00 0.41 O ATOM 295 O5' DG A 10 21.391 1.325 -1.268 1.00 0.41 O ATOM 296 C5' DG A 10 21.493 -0.066 -0.893 1.00 0.38 C ATOM 297 C4' DG A 10 20.755 -0.455 0.404 1.00 0.30 C ATOM 298 O4' DG A 10 19.345 -0.196 0.240 1.00 0.25 O ATOM 299 C3' DG A 10 20.914 -1.939 0.681 1.00 0.25 C ATOM 300 O3' DG A 10 21.207 -2.333 2.044 1.00 0.25 O ATOM 301 C2' DG A 10 19.547 -2.401 0.263 1.00 0.22 C ATOM 302 C1' DG A 10 18.578 -1.325 0.673 1.00 0.20 C ATOM 303 N9 DG A 10 17.261 -1.424 -0.008 1.00 0.17 N ATOM 304 C8 DG A 10 15.984 -1.316 0.472 1.00 0.21 C ATOM 305 N7 DG A 10 15.066 -1.474 -0.429 1.00 0.18 N ATOM 306 C5 DG A 10 15.788 -1.709 -1.590 1.00 0.16 C ATOM 307 C6 DG A 10 15.343 -1.952 -2.908 1.00 0.21 C ATOM 308 O6 DG A 10 14.184 -2.015 -3.290 1.00 0.25 O ATOM 309 N1 DG A 10 16.398 -2.136 -3.780 1.00 0.26 N ATOM 310 C2 DG A 10 17.724 -2.086 -3.421 1.00 0.25 C ATOM 311 N2 DG A 10 18.649 -2.272 -4.334 1.00 0.33 N ATOM 312 N3 DG A 10 18.140 -1.851 -2.194 1.00 0.19 N ATOM 313 C4 DG A 10 17.122 -1.674 -1.334 1.00 0.16 C ATOM 0 H5' DG A 10 22.547 -0.319 -0.781 1.00 0.38 H new ATOM 0 H5'' DG A 10 21.104 -0.675 -1.709 1.00 0.38 H new ATOM 0 H4' DG A 10 21.174 0.126 1.226 1.00 0.30 H new ATOM 0 H3' DG A 10 21.779 -2.363 0.170 1.00 0.25 H new ATOM 0 H2' DG A 10 19.508 -2.566 -0.814 1.00 0.22 H new ATOM 0 H2'' DG A 10 19.297 -3.348 0.740 1.00 0.22 H new ATOM 0 H1' DG A 10 18.280 -1.332 1.722 1.00 0.20 H new ATOM 0 H8 DG A 10 15.761 -1.117 1.510 1.00 0.21 H new ATOM 0 H1 DG A 10 16.178 -2.322 -4.758 1.00 0.26 H new ATOM 0 H21 DG A 10 19.635 -2.236 -4.076 1.00 0.33 H new ATOM 0 H22 DG A 10 18.381 -2.452 -5.302 1.00 0.33 H new ATOM 325 P DG A 11 21.285 -3.918 2.432 1.00 0.21 P ATOM 326 OP1 DG A 11 22.018 -4.082 3.712 1.00 0.26 O ATOM 327 OP2 DG A 11 21.698 -4.692 1.246 1.00 0.27 O ATOM 328 O5' DG A 11 19.763 -4.226 2.738 1.00 0.25 O ATOM 329 C5' DG A 11 18.963 -3.578 3.724 1.00 0.27 C ATOM 330 C4' DG A 11 17.501 -3.985 3.636 1.00 0.22 C ATOM 331 O4' DG A 11 17.053 -3.749 2.296 1.00 0.18 O ATOM 332 C3' DG A 11 17.375 -5.490 3.950 1.00 0.23 C ATOM 333 O3' DG A 11 16.158 -5.943 4.568 1.00 0.26 O ATOM 334 C2' DG A 11 17.360 -5.953 2.496 1.00 0.17 C ATOM 335 C1' DG A 11 16.484 -4.955 1.810 1.00 0.16 C ATOM 336 N9 DG A 11 16.442 -5.010 0.321 1.00 0.11 N ATOM 337 C8 DG A 11 17.454 -4.997 -0.607 1.00 0.12 C ATOM 338 N7 DG A 11 17.036 -5.013 -1.831 1.00 0.13 N ATOM 339 C5 DG A 11 15.655 -5.048 -1.723 1.00 0.11 C ATOM 340 C6 DG A 11 14.672 -5.078 -2.716 1.00 0.15 C ATOM 341 O6 DG A 11 14.845 -5.107 -3.920 1.00 0.20 O ATOM 342 N1 DG A 11 13.404 -5.100 -2.183 1.00 0.16 N ATOM 343 C2 DG A 11 13.123 -5.099 -0.832 1.00 0.15 C ATOM 344 N2 DG A 11 11.868 -5.115 -0.449 1.00 0.24 N ATOM 345 N3 DG A 11 14.045 -5.075 0.136 1.00 0.12 N ATOM 346 C4 DG A 11 15.283 -5.045 -0.408 1.00 0.10 C ATOM 0 H5' DG A 11 19.045 -2.498 3.604 1.00 0.27 H new ATOM 0 H5'' DG A 11 19.346 -3.818 4.716 1.00 0.27 H new ATOM 0 H4' DG A 11 16.904 -3.413 4.346 1.00 0.22 H new ATOM 0 H3' DG A 11 18.128 -5.838 4.657 1.00 0.23 H new ATOM 0 H2' DG A 11 18.363 -5.964 2.070 1.00 0.17 H new ATOM 0 H2'' DG A 11 16.963 -6.964 2.403 1.00 0.17 H new ATOM 0 H1' DG A 11 15.428 -5.115 2.028 1.00 0.16 H new ATOM 0 H8 DG A 11 18.500 -4.975 -0.340 1.00 0.12 H new ATOM 0 H1 DG A 11 12.617 -5.118 -2.831 1.00 0.16 H new ATOM 0 H21 DG A 11 11.638 -5.115 0.545 1.00 0.24 H new ATOM 0 H22 DG A 11 11.123 -5.128 -1.145 1.00 0.24 H new ATOM 358 P DT A 12 16.144 -7.151 5.581 1.00 0.30 P ATOM 359 OP1 DT A 12 14.844 -7.838 5.519 1.00 0.36 O ATOM 360 OP2 DT A 12 16.655 -6.672 6.873 1.00 0.38 O ATOM 361 O5' DT A 12 17.265 -8.172 4.957 1.00 0.35 O ATOM 362 C5' DT A 12 17.055 -9.274 4.060 1.00 0.35 C ATOM 363 C4' DT A 12 18.381 -9.855 3.560 1.00 0.35 C ATOM 364 O4' DT A 12 19.408 -10.053 4.560 1.00 0.38 O ATOM 365 C3' DT A 12 19.016 -8.840 2.574 1.00 0.31 C ATOM 366 O3' DT A 12 18.423 -8.918 1.252 1.00 0.35 O ATOM 367 C2' DT A 12 20.565 -9.174 2.621 1.00 0.29 C ATOM 368 C1' DT A 12 20.595 -9.326 4.152 1.00 0.34 C ATOM 369 N1 DT A 12 20.704 -8.037 4.875 1.00 0.30 N ATOM 370 C2 DT A 12 21.472 -6.986 4.339 1.00 0.31 C ATOM 371 O2 DT A 12 22.075 -7.005 3.274 1.00 0.37 O ATOM 372 N3 DT A 12 21.532 -5.842 5.069 1.00 0.33 N ATOM 373 C4 DT A 12 20.921 -5.615 6.270 1.00 0.35 C ATOM 374 O4 DT A 12 21.080 -4.538 6.844 1.00 0.40 O ATOM 375 C5 DT A 12 20.136 -6.733 6.771 1.00 0.35 C ATOM 376 C7 DT A 12 19.388 -6.580 8.098 1.00 0.42 C ATOM 377 C6 DT A 12 20.059 -7.884 6.066 1.00 0.32 C ATOM 0 H5' DT A 12 16.459 -8.943 3.210 1.00 0.35 H new ATOM 0 H5'' DT A 12 16.484 -10.052 4.566 1.00 0.35 H new ATOM 0 H4' DT A 12 18.107 -10.826 3.147 1.00 0.35 H new ATOM 0 H3' DT A 12 18.836 -7.801 2.852 1.00 0.31 H new ATOM 0 H2' DT A 12 20.839 -10.081 2.081 1.00 0.29 H new ATOM 0 H2'' DT A 12 21.202 -8.374 2.243 1.00 0.29 H new ATOM 0 H1' DT A 12 21.497 -9.877 4.418 1.00 0.34 H new ATOM 0 H3 DT A 12 22.087 -5.078 4.683 1.00 0.33 H new ATOM 0 H71 DT A 12 18.491 -7.199 8.083 1.00 0.42 H new ATOM 0 H72 DT A 12 20.033 -6.895 8.918 1.00 0.42 H new ATOM 0 H73 DT A 12 19.106 -5.536 8.239 1.00 0.42 H new ATOM 0 H6 DT A 12 19.472 -8.702 6.456 1.00 0.32 H new ATOM 390 P DT A 13 18.953 -8.107 -0.094 1.00 0.27 P ATOM 391 OP1 DT A 13 19.487 -6.828 0.392 1.00 0.26 O ATOM 392 OP2 DT A 13 17.895 -8.102 -1.127 1.00 0.33 O ATOM 393 O5' DT A 13 20.222 -8.896 -0.681 1.00 0.26 O ATOM 394 C5' DT A 13 20.317 -10.311 -0.767 1.00 0.25 C ATOM 395 C4' DT A 13 19.732 -10.932 -2.040 1.00 0.24 C ATOM 396 O4' DT A 13 18.308 -10.774 -2.155 1.00 0.21 O ATOM 397 C3' DT A 13 20.356 -10.424 -3.346 1.00 0.21 C ATOM 398 O3' DT A 13 20.734 -11.533 -4.191 1.00 0.24 O ATOM 399 C2' DT A 13 19.158 -9.667 -3.833 1.00 0.23 C ATOM 400 C1' DT A 13 17.978 -10.563 -3.504 1.00 0.17 C ATOM 401 N1 DT A 13 16.621 -10.002 -3.686 1.00 0.13 N ATOM 402 C2 DT A 13 16.095 -9.996 -4.971 1.00 0.16 C ATOM 403 O2 DT A 13 16.674 -10.468 -5.952 1.00 0.23 O ATOM 404 N3 DT A 13 14.850 -9.446 -5.089 1.00 0.17 N ATOM 405 C4 DT A 13 14.087 -8.912 -4.075 1.00 0.14 C ATOM 406 O4 DT A 13 12.986 -8.433 -4.329 1.00 0.21 O ATOM 407 C5 DT A 13 14.704 -8.958 -2.781 1.00 0.13 C ATOM 408 C7 DT A 13 13.916 -8.411 -1.582 1.00 0.21 C ATOM 409 C6 DT A 13 15.933 -9.490 -2.623 1.00 0.15 C ATOM 0 H5' DT A 13 19.811 -10.745 0.095 1.00 0.25 H new ATOM 0 H5'' DT A 13 21.367 -10.593 -0.695 1.00 0.25 H new ATOM 0 H4' DT A 13 19.984 -11.985 -1.915 1.00 0.24 H new ATOM 0 H3' DT A 13 21.278 -9.845 -3.289 1.00 0.21 H new ATOM 0 H2' DT A 13 19.072 -8.700 -3.337 1.00 0.23 H new ATOM 0 H2'' DT A 13 19.221 -9.472 -4.904 1.00 0.23 H new ATOM 0 H1' DT A 13 17.877 -11.428 -4.159 1.00 0.17 H new ATOM 0 H3 DT A 13 14.444 -9.429 -6.025 1.00 0.17 H new ATOM 0 H71 DT A 13 13.252 -7.614 -1.916 1.00 0.21 H new ATOM 0 H72 DT A 13 13.326 -9.213 -1.138 1.00 0.21 H new ATOM 0 H73 DT A 13 14.610 -8.018 -0.839 1.00 0.21 H new ATOM 0 H6 DT A 13 16.380 -9.512 -1.640 1.00 0.15 H new ATOM 422 P DG A 14 22.095 -11.589 -5.036 1.00 0.17 P ATOM 423 OP1 DG A 14 22.576 -12.978 -4.931 1.00 0.25 O ATOM 424 OP2 DG A 14 22.993 -10.462 -4.689 1.00 0.24 O ATOM 425 O5' DG A 14 21.517 -11.378 -6.520 1.00 0.23 O ATOM 426 C5' DG A 14 22.311 -11.341 -7.728 1.00 0.28 C ATOM 427 C4' DG A 14 22.217 -9.950 -8.369 1.00 0.27 C ATOM 428 O4' DG A 14 20.854 -9.616 -8.686 1.00 0.27 O ATOM 429 C3' DG A 14 22.722 -8.795 -7.507 1.00 0.23 C ATOM 430 O3' DG A 14 23.038 -7.730 -8.410 1.00 0.24 O ATOM 431 C2' DG A 14 21.426 -8.479 -6.803 1.00 0.21 C ATOM 432 C1' DG A 14 20.504 -8.396 -8.003 1.00 0.19 C ATOM 433 N9 DG A 14 19.081 -8.209 -7.789 1.00 0.18 N ATOM 434 C8 DG A 14 18.055 -8.638 -8.577 1.00 0.25 C ATOM 435 N7 DG A 14 16.885 -8.298 -8.139 1.00 0.24 N ATOM 436 C5 DG A 14 17.152 -7.601 -6.981 1.00 0.16 C ATOM 437 C6 DG A 14 16.254 -6.991 -6.081 1.00 0.16 C ATOM 438 O6 DG A 14 15.038 -6.947 -6.130 1.00 0.19 O ATOM 439 N1 DG A 14 16.929 -6.393 -5.044 1.00 0.17 N ATOM 440 C2 DG A 14 18.293 -6.376 -4.886 1.00 0.20 C ATOM 441 N2 DG A 14 18.792 -5.779 -3.843 1.00 0.29 N ATOM 442 N3 DG A 14 19.139 -6.943 -5.731 1.00 0.15 N ATOM 443 C4 DG A 14 18.503 -7.538 -6.755 1.00 0.13 C ATOM 0 H5' DG A 14 21.960 -12.099 -8.428 1.00 0.28 H new ATOM 0 H5'' DG A 14 23.350 -11.576 -7.498 1.00 0.28 H new ATOM 0 H4' DG A 14 22.857 -10.044 -9.246 1.00 0.27 H new ATOM 0 H3' DG A 14 23.582 -8.970 -6.861 1.00 0.23 H new ATOM 0 H2' DG A 14 21.130 -9.258 -6.100 1.00 0.21 H new ATOM 0 H2'' DG A 14 21.470 -7.545 -6.243 1.00 0.21 H new ATOM 0 H1' DG A 14 20.659 -7.472 -8.560 1.00 0.19 H new ATOM 0 H8 DG A 14 18.204 -9.208 -9.482 1.00 0.25 H new ATOM 0 H1 DG A 14 16.370 -5.922 -4.332 1.00 0.17 H new ATOM 0 H21 DG A 14 19.802 -5.754 -3.705 1.00 0.29 H new ATOM 0 H22 DG A 14 18.173 -5.336 -3.164 1.00 0.29 H new ATOM 455 P DG A 15 23.759 -6.369 -7.943 1.00 0.26 P ATOM 456 OP1 DG A 15 25.047 -6.787 -7.374 1.00 0.37 O ATOM 457 OP2 DG A 15 22.820 -5.562 -7.133 1.00 0.24 O ATOM 458 O5' DG A 15 24.054 -5.612 -9.359 1.00 0.31 O ATOM 459 C5' DG A 15 23.107 -5.079 -10.310 1.00 0.31 C ATOM 460 C4' DG A 15 21.879 -5.959 -10.497 1.00 0.32 C ATOM 461 O4' DG A 15 21.066 -5.835 -9.301 1.00 0.23 O ATOM 462 C3' DG A 15 20.919 -5.575 -11.643 1.00 0.39 C ATOM 463 O3' DG A 15 20.114 -6.701 -11.981 1.00 0.48 O ATOM 464 C2' DG A 15 20.057 -4.611 -10.913 1.00 0.29 C ATOM 465 C1' DG A 15 19.705 -5.471 -9.642 1.00 0.24 C ATOM 466 N9 DG A 15 19.009 -4.761 -8.546 1.00 0.18 N ATOM 467 C8 DG A 15 19.499 -4.268 -7.358 1.00 0.19 C ATOM 468 N7 DG A 15 18.590 -3.702 -6.610 1.00 0.22 N ATOM 469 C5 DG A 15 17.425 -3.821 -7.346 1.00 0.19 C ATOM 470 C6 DG A 15 16.115 -3.383 -7.034 1.00 0.23 C ATOM 471 O6 DG A 15 15.729 -2.792 -6.027 1.00 0.32 O ATOM 472 N1 DG A 15 15.224 -3.688 -8.039 1.00 0.21 N ATOM 473 C2 DG A 15 15.554 -4.337 -9.189 1.00 0.18 C ATOM 474 N2 DG A 15 14.593 -4.556 -10.069 1.00 0.21 N ATOM 475 N3 DG A 15 16.774 -4.756 -9.492 1.00 0.19 N ATOM 476 C4 DG A 15 17.670 -4.465 -8.527 1.00 0.16 C ATOM 0 H5' DG A 15 23.603 -4.950 -11.272 1.00 0.31 H new ATOM 0 H5'' DG A 15 22.789 -4.090 -9.980 1.00 0.31 H new ATOM 0 H4' DG A 15 22.285 -6.946 -10.718 1.00 0.32 H new ATOM 0 H3' DG A 15 21.398 -5.218 -12.555 1.00 0.39 H new ATOM 0 H2' DG A 15 20.582 -3.690 -10.661 1.00 0.29 H new ATOM 0 H2'' DG A 15 19.172 -4.328 -11.483 1.00 0.29 H new ATOM 0 HO3' DG A 15 19.502 -6.459 -12.707 1.00 0.48 H new ATOM 0 H1' DG A 15 18.988 -6.273 -9.817 1.00 0.24 H new ATOM 0 H8 DG A 15 20.538 -4.342 -7.071 1.00 0.19 H new ATOM 0 H1 DG A 15 14.251 -3.409 -7.913 1.00 0.21 H new ATOM 0 H21 DG A 15 14.802 -5.039 -10.943 1.00 0.21 H new ATOM 0 H22 DG A 15 13.642 -4.242 -9.875 1.00 0.21 H new TER 489 DG A 15