USER MOD reduce.3.24.130724 H: found=0, std=0, add=235, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 235 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 DC O5' : rot 180:sc=-0.00184 USER MOD Single : A 12 DT C7 :methyl -30:sc= -0.0638 (180deg=-0.234) USER MOD Single : A 21 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 21 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 13.064 9.287 -0.304 1.00 1.58 O ATOM 2 C5' DC A 1 11.774 9.381 -0.887 1.00 1.37 C ATOM 3 C4' DC A 1 10.899 8.250 -0.398 1.00 0.93 C ATOM 4 O4' DC A 1 9.647 8.264 -1.129 1.00 0.81 O ATOM 5 C3' DC A 1 11.496 6.843 -0.605 1.00 0.70 C ATOM 6 O3' DC A 1 11.436 6.094 0.615 1.00 0.52 O ATOM 7 C2' DC A 1 10.601 6.212 -1.667 1.00 0.70 C ATOM 8 C1' DC A 1 9.288 6.944 -1.462 1.00 0.61 C ATOM 9 N1 DC A 1 8.391 6.981 -2.637 1.00 0.67 N ATOM 10 C2 DC A 1 7.008 6.791 -2.438 1.00 0.63 C ATOM 11 O2 DC A 1 6.586 6.601 -1.285 1.00 0.62 O ATOM 12 N3 DC A 1 6.168 6.820 -3.511 1.00 0.70 N ATOM 13 C4 DC A 1 6.660 7.031 -4.742 1.00 0.81 C ATOM 14 N4 DC A 1 5.805 7.060 -5.765 1.00 0.91 N ATOM 15 C5 DC A 1 8.061 7.227 -4.974 1.00 0.87 C ATOM 16 C6 DC A 1 8.882 7.197 -3.905 1.00 0.79 C ATOM 0 H5' DC A 1 11.854 9.345 -1.973 1.00 1.37 H new ATOM 0 H5'' DC A 1 11.320 10.339 -0.632 1.00 1.37 H new ATOM 0 H4' DC A 1 10.785 8.422 0.672 1.00 0.93 H new ATOM 0 H3' DC A 1 12.544 6.868 -0.904 1.00 0.70 H new ATOM 0 H2' DC A 1 10.996 6.360 -2.672 1.00 0.70 H new ATOM 0 H2'' DC A 1 10.494 5.137 -1.522 1.00 0.70 H new ATOM 0 HO5' DC A 1 13.624 10.023 -0.628 1.00 1.58 H new ATOM 0 H1' DC A 1 8.721 6.414 -0.697 1.00 0.61 H new ATOM 0 H41 DC A 1 6.148 7.218 -6.712 1.00 0.91 H new ATOM 0 H42 DC A 1 4.808 6.924 -5.600 1.00 0.91 H new ATOM 0 H5 DC A 1 8.445 7.393 -5.970 1.00 0.87 H new ATOM 0 H6 DC A 1 9.943 7.345 -4.046 1.00 0.79 H new ATOM 29 P DG A 2 12.565 4.999 0.927 1.00 0.51 P ATOM 30 OP1 DG A 2 13.800 5.694 1.374 1.00 0.63 O ATOM 31 OP2 DG A 2 12.675 4.082 -0.234 1.00 0.71 O ATOM 32 O5' DG A 2 11.943 4.201 2.162 1.00 0.59 O ATOM 33 C5' DG A 2 11.935 4.752 3.477 1.00 0.81 C ATOM 34 C4' DG A 2 10.696 4.331 4.244 1.00 0.78 C ATOM 35 O4' DG A 2 9.511 4.650 3.461 1.00 0.66 O ATOM 36 C3' DG A 2 10.591 2.829 4.550 1.00 0.82 C ATOM 37 O3' DG A 2 9.956 2.640 5.822 1.00 0.94 O ATOM 38 C2' DG A 2 9.717 2.323 3.415 1.00 0.69 C ATOM 39 C1' DG A 2 8.750 3.474 3.233 1.00 0.58 C ATOM 40 N9 DG A 2 8.146 3.560 1.898 1.00 0.45 N ATOM 41 C8 DG A 2 8.799 3.638 0.691 1.00 0.43 C ATOM 42 N7 DG A 2 7.984 3.703 -0.329 1.00 0.44 N ATOM 43 C5 DG A 2 6.719 3.662 0.238 1.00 0.39 C ATOM 44 C6 DG A 2 5.429 3.698 -0.373 1.00 0.38 C ATOM 45 O6 DG A 2 5.159 3.770 -1.577 1.00 0.48 O ATOM 46 N1 DG A 2 4.401 3.633 0.579 1.00 0.35 N ATOM 47 C2 DG A 2 4.602 3.544 1.945 1.00 0.43 C ATOM 48 N2 DG A 2 3.512 3.488 2.724 1.00 0.52 N ATOM 49 N3 DG A 2 5.802 3.512 2.518 1.00 0.47 N ATOM 50 C4 DG A 2 6.806 3.574 1.614 1.00 0.41 C ATOM 0 H5' DG A 2 11.977 5.840 3.418 1.00 0.81 H new ATOM 0 H5'' DG A 2 12.826 4.428 4.015 1.00 0.81 H new ATOM 0 H4' DG A 2 10.769 4.869 5.189 1.00 0.78 H new ATOM 0 H3' DG A 2 11.549 2.312 4.610 1.00 0.82 H new ATOM 0 H2' DG A 2 10.294 2.126 2.511 1.00 0.69 H new ATOM 0 H2'' DG A 2 9.205 1.396 3.675 1.00 0.69 H new ATOM 0 H1' DG A 2 7.916 3.335 3.920 1.00 0.58 H new ATOM 0 H8 DG A 2 9.875 3.645 0.595 1.00 0.43 H new ATOM 0 H1 DG A 2 3.439 3.653 0.241 1.00 0.35 H new ATOM 0 H21 DG A 2 3.612 3.422 3.737 1.00 0.52 H new ATOM 0 H22 DG A 2 2.583 3.512 2.304 1.00 0.52 H new ATOM 62 P DG A 3 9.679 1.160 6.377 1.00 1.08 P ATOM 63 OP1 DG A 3 9.926 1.141 7.842 1.00 1.32 O ATOM 64 OP2 DG A 3 10.426 0.183 5.545 1.00 1.20 O ATOM 65 O5' DG A 3 8.114 0.985 6.113 1.00 0.90 O ATOM 66 C5' DG A 3 7.152 1.750 6.837 1.00 0.82 C ATOM 67 C4' DG A 3 5.783 1.104 6.781 1.00 0.65 C ATOM 68 O4' DG A 3 5.189 1.350 5.476 1.00 0.55 O ATOM 69 C3' DG A 3 5.778 -0.424 6.966 1.00 0.68 C ATOM 70 O3' DG A 3 4.704 -0.809 7.831 1.00 0.76 O ATOM 71 C2' DG A 3 5.550 -0.952 5.556 1.00 0.63 C ATOM 72 C1' DG A 3 4.696 0.137 4.941 1.00 0.54 C ATOM 73 N9 DG A 3 4.766 0.209 3.474 1.00 0.45 N ATOM 74 C8 DG A 3 5.903 0.280 2.701 1.00 0.42 C ATOM 75 N7 DG A 3 5.651 0.315 1.421 1.00 0.41 N ATOM 76 C5 DG A 3 4.270 0.265 1.337 1.00 0.39 C ATOM 77 C6 DG A 3 3.420 0.271 0.194 1.00 0.38 C ATOM 78 O6 DG A 3 3.751 0.322 -0.995 1.00 0.40 O ATOM 79 N1 DG A 3 2.068 0.207 0.549 1.00 0.40 N ATOM 80 C2 DG A 3 1.600 0.148 1.851 1.00 0.47 C ATOM 81 N2 DG A 3 0.267 0.096 1.999 1.00 0.54 N ATOM 82 N3 DG A 3 2.388 0.142 2.926 1.00 0.50 N ATOM 83 C4 DG A 3 3.704 0.202 2.598 1.00 0.43 C ATOM 0 H5' DG A 3 7.099 2.757 6.424 1.00 0.82 H new ATOM 0 H5'' DG A 3 7.468 1.848 7.875 1.00 0.82 H new ATOM 0 H4' DG A 3 5.232 1.549 7.610 1.00 0.65 H new ATOM 0 H3' DG A 3 6.693 -0.809 7.417 1.00 0.68 H new ATOM 0 H2' DG A 3 6.487 -1.089 5.016 1.00 0.63 H new ATOM 0 H2'' DG A 3 5.041 -1.916 5.559 1.00 0.63 H new ATOM 0 H1' DG A 3 3.651 -0.067 5.173 1.00 0.54 H new ATOM 0 H8 DG A 3 6.901 0.304 3.112 1.00 0.42 H new ATOM 0 H1 DG A 3 1.379 0.204 -0.203 1.00 0.40 H new ATOM 0 H21 DG A 3 -0.141 0.051 2.933 1.00 0.54 H new ATOM 0 H22 DG A 3 -0.338 0.101 1.178 1.00 0.54 H new ATOM 95 P DG A 4 4.636 -2.309 8.399 1.00 0.88 P ATOM 96 OP1 DG A 4 4.525 -2.260 9.878 1.00 1.10 O ATOM 97 OP2 DG A 4 5.752 -3.100 7.820 1.00 0.97 O ATOM 98 O5' DG A 4 3.257 -2.838 7.794 1.00 0.76 O ATOM 99 C5' DG A 4 2.014 -2.290 8.222 1.00 0.69 C ATOM 100 C4' DG A 4 0.862 -2.819 7.396 1.00 0.65 C ATOM 101 O4' DG A 4 1.051 -2.452 6.003 1.00 0.69 O ATOM 102 C3' DG A 4 0.696 -4.354 7.401 1.00 0.68 C ATOM 103 O3' DG A 4 -0.690 -4.711 7.467 1.00 0.74 O ATOM 104 C2' DG A 4 1.267 -4.763 6.050 1.00 0.68 C ATOM 105 C1' DG A 4 0.862 -3.587 5.186 1.00 0.70 C ATOM 106 N9 DG A 4 1.648 -3.412 3.957 1.00 0.64 N ATOM 107 C8 DG A 4 3.012 -3.272 3.858 1.00 0.58 C ATOM 108 N7 DG A 4 3.425 -3.130 2.628 1.00 0.56 N ATOM 109 C5 DG A 4 2.271 -3.178 1.866 1.00 0.58 C ATOM 110 C6 DG A 4 2.096 -3.078 0.455 1.00 0.58 C ATOM 111 O6 DG A 4 2.964 -2.930 -0.410 1.00 0.57 O ATOM 112 N1 DG A 4 0.751 -3.177 0.087 1.00 0.62 N ATOM 113 C2 DG A 4 -0.296 -3.351 0.971 1.00 0.68 C ATOM 114 N2 DG A 4 -1.527 -3.426 0.435 1.00 0.74 N ATOM 115 N3 DG A 4 -0.143 -3.446 2.295 1.00 0.69 N ATOM 116 C4 DG A 4 1.160 -3.352 2.671 1.00 0.63 C ATOM 0 H5' DG A 4 2.049 -1.203 8.146 1.00 0.69 H new ATOM 0 H5'' DG A 4 1.851 -2.531 9.272 1.00 0.69 H new ATOM 0 H4' DG A 4 -0.021 -2.377 7.857 1.00 0.65 H new ATOM 0 H3' DG A 4 1.184 -4.833 8.250 1.00 0.68 H new ATOM 0 H2' DG A 4 2.349 -4.894 6.084 1.00 0.68 H new ATOM 0 H2'' DG A 4 0.843 -5.701 5.692 1.00 0.68 H new ATOM 0 H1' DG A 4 -0.161 -3.747 4.844 1.00 0.70 H new ATOM 0 H8 DG A 4 3.674 -3.279 4.711 1.00 0.58 H new ATOM 0 H1 DG A 4 0.527 -3.116 -0.906 1.00 0.62 H new ATOM 0 H21 DG A 4 -2.339 -3.554 1.039 1.00 0.74 H new ATOM 0 H22 DG A 4 -1.649 -3.355 -0.575 1.00 0.74 H new ATOM 128 P DC A 5 -1.486 -4.641 8.858 1.00 0.91 P ATOM 129 OP1 DC A 5 -0.900 -3.577 9.712 1.00 1.28 O ATOM 130 OP2 DC A 5 -1.565 -6.010 9.427 1.00 1.21 O ATOM 131 O5' DC A 5 -2.947 -4.189 8.392 1.00 0.96 O ATOM 132 C5' DC A 5 -3.224 -2.861 7.942 1.00 0.97 C ATOM 133 C4' DC A 5 -2.713 -2.637 6.533 1.00 0.82 C ATOM 134 O4' DC A 5 -3.283 -3.639 5.648 1.00 0.80 O ATOM 135 C3' DC A 5 -3.082 -1.276 5.915 1.00 0.92 C ATOM 136 O3' DC A 5 -1.969 -0.743 5.180 1.00 1.14 O ATOM 137 C2' DC A 5 -4.228 -1.620 4.973 1.00 0.76 C ATOM 138 C1' DC A 5 -3.852 -3.013 4.516 1.00 0.73 C ATOM 139 N1 DC A 5 -4.977 -3.838 4.042 1.00 0.84 N ATOM 140 C2 DC A 5 -4.945 -4.324 2.724 1.00 1.10 C ATOM 141 O2 DC A 5 -3.974 -4.039 2.007 1.00 1.27 O ATOM 142 N3 DC A 5 -5.973 -5.092 2.270 1.00 1.36 N ATOM 143 C4 DC A 5 -7.005 -5.380 3.080 1.00 1.47 C ATOM 144 N4 DC A 5 -7.989 -6.140 2.595 1.00 1.85 N ATOM 145 C5 DC A 5 -7.065 -4.896 4.429 1.00 1.37 C ATOM 146 C6 DC A 5 -6.039 -4.136 4.864 1.00 1.02 C ATOM 0 H5' DC A 5 -2.760 -2.142 8.617 1.00 0.97 H new ATOM 0 H5'' DC A 5 -4.299 -2.681 7.974 1.00 0.97 H new ATOM 0 H4' DC A 5 -1.628 -2.689 6.623 1.00 0.82 H new ATOM 0 H3' DC A 5 -3.349 -0.524 6.657 1.00 0.92 H new ATOM 0 H2' DC A 5 -5.192 -1.604 5.481 1.00 0.76 H new ATOM 0 H2'' DC A 5 -4.295 -0.921 4.139 1.00 0.76 H new ATOM 0 H1' DC A 5 -3.184 -2.923 3.659 1.00 0.73 H new ATOM 0 H41 DC A 5 -8.787 -6.377 3.184 1.00 1.85 H new ATOM 0 H42 DC A 5 -7.943 -6.483 1.636 1.00 1.85 H new ATOM 0 H5 DC A 5 -7.900 -5.131 5.072 1.00 1.37 H new ATOM 0 H6 DC A 5 -6.052 -3.755 5.875 1.00 1.02 H new ATOM 158 P DG A 6 -0.982 0.315 5.874 1.00 1.45 P ATOM 159 OP1 DG A 6 0.381 0.139 5.314 1.00 1.89 O ATOM 160 OP2 DG A 6 -1.134 0.228 7.348 1.00 1.82 O ATOM 161 O5' DG A 6 -1.555 1.710 5.365 1.00 1.06 O ATOM 162 C5' DG A 6 -2.566 2.422 6.079 1.00 0.97 C ATOM 163 C4' DG A 6 -3.558 3.054 5.125 1.00 0.80 C ATOM 164 O4' DG A 6 -2.845 3.893 4.175 1.00 0.73 O ATOM 165 C3' DG A 6 -4.345 2.062 4.268 1.00 0.71 C ATOM 166 O3' DG A 6 -5.623 2.607 3.918 1.00 0.69 O ATOM 167 C2' DG A 6 -3.460 1.925 3.042 1.00 0.68 C ATOM 168 C1' DG A 6 -2.944 3.344 2.864 1.00 0.67 C ATOM 169 N9 DG A 6 -1.625 3.431 2.217 1.00 0.63 N ATOM 170 C8 DG A 6 -0.398 3.532 2.829 1.00 0.61 C ATOM 171 N7 DG A 6 0.594 3.593 1.984 1.00 0.54 N ATOM 172 C5 DG A 6 -0.008 3.529 0.740 1.00 0.51 C ATOM 173 C6 DG A 6 0.569 3.553 -0.563 1.00 0.45 C ATOM 174 O6 DG A 6 1.764 3.635 -0.861 1.00 0.42 O ATOM 175 N1 DG A 6 -0.404 3.464 -1.564 1.00 0.45 N ATOM 176 C2 DG A 6 -1.763 3.362 -1.328 1.00 0.52 C ATOM 177 N2 DG A 6 -2.554 3.282 -2.404 1.00 0.55 N ATOM 178 N3 DG A 6 -2.309 3.340 -0.115 1.00 0.58 N ATOM 179 C4 DG A 6 -1.381 3.427 0.867 1.00 0.57 C ATOM 0 H5' DG A 6 -2.106 3.194 6.696 1.00 0.97 H new ATOM 0 H5'' DG A 6 -3.087 1.743 6.754 1.00 0.97 H new ATOM 0 H4' DG A 6 -4.253 3.593 5.769 1.00 0.80 H new ATOM 0 H3' DG A 6 -4.553 1.114 4.764 1.00 0.71 H new ATOM 0 H2' DG A 6 -2.650 1.213 3.201 1.00 0.68 H new ATOM 0 H2'' DG A 6 -4.019 1.582 2.171 1.00 0.68 H new ATOM 0 H1' DG A 6 -3.631 3.880 2.209 1.00 0.67 H new ATOM 0 H8 DG A 6 -0.269 3.558 3.901 1.00 0.61 H new ATOM 0 H1 DG A 6 -0.090 3.475 -2.534 1.00 0.45 H new ATOM 0 H21 DG A 6 -3.565 3.205 -2.289 1.00 0.55 H new ATOM 0 H22 DG A 6 -2.146 3.298 -3.339 1.00 0.55 H new ATOM 191 P DG A 7 -6.741 1.656 3.273 1.00 0.63 P ATOM 192 OP1 DG A 7 -8.030 2.394 3.223 1.00 0.70 O ATOM 193 OP2 DG A 7 -6.729 0.349 3.978 1.00 0.81 O ATOM 194 O5' DG A 7 -6.202 1.451 1.784 1.00 0.56 O ATOM 195 C5' DG A 7 -6.408 2.432 0.769 1.00 0.46 C ATOM 196 C4' DG A 7 -6.560 1.781 -0.588 1.00 0.33 C ATOM 197 O4' DG A 7 -5.270 1.734 -1.254 1.00 0.39 O ATOM 198 C3' DG A 7 -7.057 0.331 -0.560 1.00 0.30 C ATOM 199 O3' DG A 7 -7.887 0.087 -1.695 1.00 0.31 O ATOM 200 C2' DG A 7 -5.769 -0.471 -0.649 1.00 0.37 C ATOM 201 C1' DG A 7 -4.935 0.389 -1.577 1.00 0.40 C ATOM 202 N9 DG A 7 -3.483 0.230 -1.432 1.00 0.44 N ATOM 203 C8 DG A 7 -2.771 0.136 -0.263 1.00 0.49 C ATOM 204 N7 DG A 7 -1.483 0.038 -0.451 1.00 0.50 N ATOM 205 C5 DG A 7 -1.333 0.062 -1.828 1.00 0.45 C ATOM 206 C6 DG A 7 -0.154 -0.009 -2.628 1.00 0.44 C ATOM 207 O6 DG A 7 1.020 -0.097 -2.247 1.00 0.47 O ATOM 208 N1 DG A 7 -0.451 0.045 -3.999 1.00 0.40 N ATOM 209 C2 DG A 7 -1.731 0.153 -4.519 1.00 0.38 C ATOM 210 N2 DG A 7 -1.846 0.177 -5.856 1.00 0.36 N ATOM 211 N3 DG A 7 -2.831 0.225 -3.775 1.00 0.38 N ATOM 212 C4 DG A 7 -2.563 0.175 -2.449 1.00 0.41 C ATOM 0 H5' DG A 7 -5.567 3.126 0.752 1.00 0.46 H new ATOM 0 H5'' DG A 7 -7.299 3.017 0.998 1.00 0.46 H new ATOM 0 H4' DG A 7 -7.303 2.394 -1.099 1.00 0.33 H new ATOM 0 H3' DG A 7 -7.652 0.082 0.319 1.00 0.30 H new ATOM 0 H2' DG A 7 -5.298 -0.598 0.326 1.00 0.37 H new ATOM 0 H2'' DG A 7 -5.935 -1.469 -1.055 1.00 0.37 H new ATOM 0 H1' DG A 7 -5.157 0.095 -2.603 1.00 0.40 H new ATOM 0 H8 DG A 7 -3.230 0.142 0.715 1.00 0.49 H new ATOM 0 H1 DG A 7 0.328 0.002 -4.657 1.00 0.40 H new ATOM 0 H21 DG A 7 -2.767 0.255 -6.287 1.00 0.36 H new ATOM 0 H22 DG A 7 -1.012 0.117 -6.441 1.00 0.36 H new ATOM 224 P DG A 8 -8.776 -1.234 -1.756 1.00 0.43 P ATOM 225 OP1 DG A 8 -10.074 -0.915 -2.403 1.00 0.53 O ATOM 226 OP2 DG A 8 -8.812 -1.846 -0.406 1.00 0.56 O ATOM 227 O5' DG A 8 -7.923 -2.161 -2.727 1.00 0.64 O ATOM 228 C5' DG A 8 -8.087 -2.097 -4.138 1.00 0.66 C ATOM 229 C4' DG A 8 -7.159 -3.064 -4.835 1.00 0.75 C ATOM 230 O4' DG A 8 -5.811 -2.574 -4.804 1.00 0.75 O ATOM 231 C3' DG A 8 -7.035 -4.436 -4.193 1.00 0.81 C ATOM 232 O3' DG A 8 -8.124 -5.274 -4.597 1.00 0.93 O ATOM 233 C2' DG A 8 -5.707 -4.943 -4.758 1.00 0.88 C ATOM 234 C1' DG A 8 -4.925 -3.652 -5.065 1.00 0.82 C ATOM 235 N9 DG A 8 -3.706 -3.467 -4.258 1.00 0.79 N ATOM 236 C8 DG A 8 -3.618 -3.346 -2.888 1.00 0.80 C ATOM 237 N7 DG A 8 -2.388 -3.221 -2.463 1.00 0.76 N ATOM 238 C5 DG A 8 -1.618 -3.258 -3.615 1.00 0.72 C ATOM 239 C6 DG A 8 -0.205 -3.169 -3.780 1.00 0.69 C ATOM 240 O6 DG A 8 0.654 -3.045 -2.902 1.00 0.69 O ATOM 241 N1 DG A 8 0.171 -3.248 -5.125 1.00 0.68 N ATOM 242 C2 DG A 8 -0.712 -3.392 -6.180 1.00 0.70 C ATOM 243 N2 DG A 8 -0.176 -3.439 -7.411 1.00 0.72 N ATOM 244 N3 DG A 8 -2.035 -3.480 -6.034 1.00 0.74 N ATOM 245 C4 DG A 8 -2.417 -3.406 -4.734 1.00 0.74 C ATOM 0 H5' DG A 8 -7.889 -1.083 -4.485 1.00 0.66 H new ATOM 0 H5'' DG A 8 -9.120 -2.327 -4.398 1.00 0.66 H new ATOM 0 H4' DG A 8 -7.604 -3.150 -5.826 1.00 0.75 H new ATOM 0 H3' DG A 8 -7.062 -4.422 -3.103 1.00 0.81 H new ATOM 0 H2' DG A 8 -5.179 -5.570 -4.039 1.00 0.88 H new ATOM 0 H2'' DG A 8 -5.857 -5.544 -5.655 1.00 0.88 H new ATOM 0 H1' DG A 8 -4.586 -3.704 -6.100 1.00 0.82 H new ATOM 0 H8 DG A 8 -4.477 -3.354 -2.233 1.00 0.80 H new ATOM 0 H1 DG A 8 1.166 -3.196 -5.343 1.00 0.68 H new ATOM 0 H21 DG A 8 -0.780 -3.544 -8.226 1.00 0.72 H new ATOM 0 H22 DG A 8 0.835 -3.369 -7.530 1.00 0.72 H new ATOM 257 P DC A 9 -8.518 -6.560 -3.718 1.00 1.15 P ATOM 258 OP1 DC A 9 -7.277 -7.258 -3.294 1.00 1.51 O ATOM 259 OP2 DC A 9 -9.527 -7.351 -4.465 1.00 1.43 O ATOM 260 O5' DC A 9 -9.213 -5.917 -2.430 1.00 1.01 O ATOM 261 C5' DC A 9 -10.039 -4.759 -2.520 1.00 1.25 C ATOM 262 C4' DC A 9 -11.391 -4.997 -1.886 1.00 1.04 C ATOM 263 O4' DC A 9 -11.229 -5.151 -0.449 1.00 1.14 O ATOM 264 C3' DC A 9 -12.388 -3.844 -2.076 1.00 0.78 C ATOM 265 O3' DC A 9 -13.704 -4.351 -2.318 1.00 1.00 O ATOM 266 C2' DC A 9 -12.336 -3.107 -0.747 1.00 0.78 C ATOM 267 C1' DC A 9 -12.058 -4.227 0.240 1.00 1.01 C ATOM 268 N1 DC A 9 -11.363 -3.790 1.469 1.00 1.01 N ATOM 269 C2 DC A 9 -12.125 -3.537 2.627 1.00 1.34 C ATOM 270 O2 DC A 9 -13.355 -3.707 2.586 1.00 1.63 O ATOM 271 N3 DC A 9 -11.497 -3.112 3.758 1.00 1.41 N ATOM 272 C4 DC A 9 -10.166 -2.937 3.765 1.00 1.13 C ATOM 273 N4 DC A 9 -9.596 -2.503 4.891 1.00 1.26 N ATOM 274 C5 DC A 9 -9.365 -3.192 2.606 1.00 0.83 C ATOM 275 C6 DC A 9 -9.999 -3.615 1.492 1.00 0.82 C ATOM 0 H5' DC A 9 -10.169 -4.483 -3.566 1.00 1.25 H new ATOM 0 H5'' DC A 9 -9.547 -3.920 -2.028 1.00 1.25 H new ATOM 0 H4' DC A 9 -11.786 -5.885 -2.379 1.00 1.04 H new ATOM 0 H3' DC A 9 -12.145 -3.207 -2.927 1.00 0.78 H new ATOM 0 H2' DC A 9 -11.552 -2.350 -0.733 1.00 0.78 H new ATOM 0 H2'' DC A 9 -13.275 -2.597 -0.529 1.00 0.78 H new ATOM 0 H1' DC A 9 -13.009 -4.644 0.572 1.00 1.01 H new ATOM 0 H41 DC A 9 -8.587 -2.360 4.929 1.00 1.26 H new ATOM 0 H42 DC A 9 -10.170 -2.315 5.713 1.00 1.26 H new ATOM 0 H5 DC A 9 -8.294 -3.051 2.622 1.00 0.83 H new ATOM 0 H6 DC A 9 -9.424 -3.820 0.601 1.00 0.82 H new ATOM 287 P DG A 10 -14.306 -4.308 -3.805 1.00 1.06 P ATOM 288 OP1 DG A 10 -15.688 -4.851 -3.781 1.00 1.28 O ATOM 289 OP2 DG A 10 -13.333 -4.941 -4.731 1.00 1.28 O ATOM 290 O5' DG A 10 -14.372 -2.742 -4.109 1.00 0.86 O ATOM 291 C5' DG A 10 -14.975 -2.243 -5.302 1.00 0.85 C ATOM 292 C4' DG A 10 -14.392 -0.902 -5.697 1.00 0.67 C ATOM 293 O4' DG A 10 -14.761 0.097 -4.710 1.00 0.56 O ATOM 294 C3' DG A 10 -12.862 -0.854 -5.776 1.00 0.67 C ATOM 295 O3' DG A 10 -12.453 0.036 -6.819 1.00 0.67 O ATOM 296 C2' DG A 10 -12.469 -0.306 -4.414 1.00 0.58 C ATOM 297 C1' DG A 10 -13.599 0.665 -4.119 1.00 0.45 C ATOM 298 N9 DG A 10 -13.860 0.876 -2.687 1.00 0.61 N ATOM 299 C8 DG A 10 -14.607 0.073 -1.855 1.00 0.79 C ATOM 300 N7 DG A 10 -14.667 0.515 -0.628 1.00 0.99 N ATOM 301 C5 DG A 10 -13.913 1.681 -0.645 1.00 0.97 C ATOM 302 C6 DG A 10 -13.615 2.603 0.406 1.00 1.22 C ATOM 303 O6 DG A 10 -13.972 2.564 1.590 1.00 1.49 O ATOM 304 N1 DG A 10 -12.814 3.658 -0.040 1.00 1.18 N ATOM 305 C2 DG A 10 -12.354 3.807 -1.333 1.00 0.94 C ATOM 306 N2 DG A 10 -11.595 4.891 -1.560 1.00 0.99 N ATOM 307 N3 DG A 10 -12.624 2.954 -2.324 1.00 0.69 N ATOM 308 C4 DG A 10 -13.405 1.920 -1.912 1.00 0.73 C ATOM 0 H5' DG A 10 -16.050 -2.145 -5.154 1.00 0.85 H new ATOM 0 H5'' DG A 10 -14.829 -2.958 -6.112 1.00 0.85 H new ATOM 0 H4' DG A 10 -14.794 -0.716 -6.693 1.00 0.67 H new ATOM 0 H3' DG A 10 -12.403 -1.817 -5.998 1.00 0.67 H new ATOM 0 H2' DG A 10 -12.402 -1.093 -3.663 1.00 0.58 H new ATOM 0 H2'' DG A 10 -11.500 0.193 -4.440 1.00 0.58 H new ATOM 0 H1' DG A 10 -13.325 1.642 -4.516 1.00 0.45 H new ATOM 0 H8 DG A 10 -15.095 -0.832 -2.184 1.00 0.79 H new ATOM 0 H1 DG A 10 -12.550 4.371 0.640 1.00 1.18 H new ATOM 0 H21 DG A 10 -11.220 5.065 -2.493 1.00 0.99 H new ATOM 0 H22 DG A 10 -11.393 5.540 -0.800 1.00 0.99 H new ATOM 320 P DC A 11 -11.000 -0.126 -7.474 1.00 0.88 P ATOM 321 OP1 DC A 11 -11.075 -1.121 -8.574 1.00 1.13 O ATOM 322 OP2 DC A 11 -10.012 -0.370 -6.395 1.00 0.98 O ATOM 323 O5' DC A 11 -10.744 1.318 -8.100 1.00 0.91 O ATOM 324 C5' DC A 11 -11.020 2.509 -7.368 1.00 0.61 C ATOM 325 C4' DC A 11 -11.270 3.666 -8.310 1.00 0.56 C ATOM 326 O4' DC A 11 -12.572 3.498 -8.929 1.00 0.60 O ATOM 327 C3' DC A 11 -11.317 5.044 -7.646 1.00 0.49 C ATOM 328 O3' DC A 11 -10.907 6.053 -8.579 1.00 0.70 O ATOM 329 C2' DC A 11 -12.789 5.181 -7.299 1.00 0.49 C ATOM 330 C1' DC A 11 -13.461 4.521 -8.496 1.00 0.64 C ATOM 331 N1 DC A 11 -14.773 3.910 -8.206 1.00 0.82 N ATOM 332 C2 DC A 11 -15.910 4.392 -8.883 1.00 1.11 C ATOM 333 O2 DC A 11 -15.774 5.315 -9.703 1.00 1.19 O ATOM 334 N3 DC A 11 -17.124 3.837 -8.623 1.00 1.36 N ATOM 335 C4 DC A 11 -17.232 2.839 -7.731 1.00 1.36 C ATOM 336 N4 DC A 11 -18.443 2.325 -7.509 1.00 1.66 N ATOM 337 C5 DC A 11 -16.093 2.329 -7.027 1.00 1.12 C ATOM 338 C6 DC A 11 -14.895 2.887 -7.293 1.00 0.85 C ATOM 0 H5' DC A 11 -10.181 2.742 -6.712 1.00 0.61 H new ATOM 0 H5'' DC A 11 -11.891 2.357 -6.730 1.00 0.61 H new ATOM 0 H4' DC A 11 -10.430 3.644 -9.004 1.00 0.56 H new ATOM 0 H3' DC A 11 -10.659 5.151 -6.783 1.00 0.49 H new ATOM 0 H2' DC A 11 -13.036 4.678 -6.364 1.00 0.49 H new ATOM 0 H2'' DC A 11 -13.086 6.224 -7.188 1.00 0.49 H new ATOM 0 H1' DC A 11 -13.656 5.291 -9.242 1.00 0.64 H new ATOM 0 H41 DC A 11 -18.560 1.566 -6.838 1.00 1.66 H new ATOM 0 H42 DC A 11 -19.252 2.691 -8.011 1.00 1.66 H new ATOM 0 H5 DC A 11 -16.191 1.527 -6.310 1.00 1.12 H new ATOM 0 H6 DC A 11 -14.016 2.525 -6.781 1.00 0.85 H new ATOM 350 P DT A 12 -10.591 7.543 -8.073 1.00 0.83 P ATOM 351 OP1 DT A 12 -11.871 8.274 -7.882 1.00 1.00 O ATOM 352 OP2 DT A 12 -9.589 8.147 -8.987 1.00 1.09 O ATOM 353 O5' DT A 12 -9.910 7.304 -6.651 1.00 0.71 O ATOM 354 C5' DT A 12 -10.522 7.758 -5.444 1.00 0.74 C ATOM 355 C4' DT A 12 -9.865 7.121 -4.240 1.00 0.65 C ATOM 356 O4' DT A 12 -9.979 5.693 -4.338 1.00 0.58 O ATOM 357 C3' DT A 12 -8.367 7.376 -4.115 1.00 0.64 C ATOM 358 O3' DT A 12 -8.119 8.535 -3.300 1.00 0.91 O ATOM 359 C2' DT A 12 -7.835 6.121 -3.419 1.00 0.69 C ATOM 360 C1' DT A 12 -8.944 5.078 -3.591 1.00 0.64 C ATOM 361 N1 DT A 12 -8.521 3.853 -4.293 1.00 0.62 N ATOM 362 C2 DT A 12 -8.498 2.677 -3.568 1.00 0.83 C ATOM 363 O2 DT A 12 -8.844 2.613 -2.401 1.00 1.01 O ATOM 364 N3 DT A 12 -8.063 1.572 -4.267 1.00 0.92 N ATOM 365 C4 DT A 12 -7.662 1.531 -5.595 1.00 0.92 C ATOM 366 O4 DT A 12 -7.289 0.471 -6.089 1.00 1.13 O ATOM 367 C5 DT A 12 -7.721 2.803 -6.300 1.00 0.76 C ATOM 368 C7 DT A 12 -7.320 2.852 -7.742 1.00 0.95 C ATOM 369 C6 DT A 12 -8.142 3.892 -5.626 1.00 0.56 C ATOM 0 H5' DT A 12 -11.585 7.516 -5.456 1.00 0.74 H new ATOM 0 H5'' DT A 12 -10.443 8.843 -5.376 1.00 0.74 H new ATOM 0 H4' DT A 12 -10.377 7.564 -3.386 1.00 0.65 H new ATOM 0 H3' DT A 12 -7.893 7.562 -5.079 1.00 0.64 H new ATOM 0 H2' DT A 12 -6.902 5.784 -3.870 1.00 0.69 H new ATOM 0 H2'' DT A 12 -7.630 6.310 -2.365 1.00 0.69 H new ATOM 0 H1' DT A 12 -9.257 4.761 -2.596 1.00 0.64 H new ATOM 0 H3 DT A 12 -8.032 0.691 -3.754 1.00 0.92 H new ATOM 0 H71 DT A 12 -6.565 2.090 -7.936 1.00 0.95 H new ATOM 0 H72 DT A 12 -8.192 2.666 -8.369 1.00 0.95 H new ATOM 0 H73 DT A 12 -6.911 3.836 -7.973 1.00 0.95 H new ATOM 0 H6 DT A 12 -8.186 4.837 -6.148 1.00 0.56 H new ATOM 382 P DA A 13 -7.302 9.792 -3.887 1.00 1.02 P ATOM 383 OP1 DA A 13 -7.774 11.026 -3.209 1.00 1.45 O ATOM 384 OP2 DA A 13 -7.374 9.763 -5.370 1.00 1.04 O ATOM 385 O5' DA A 13 -5.795 9.500 -3.424 1.00 0.84 O ATOM 386 C5' DA A 13 -5.143 8.277 -3.754 1.00 0.71 C ATOM 387 C4' DA A 13 -4.508 8.349 -5.122 1.00 0.60 C ATOM 388 O4' DA A 13 -3.093 8.655 -4.969 1.00 0.59 O ATOM 389 C3' DA A 13 -4.553 7.035 -5.907 1.00 0.50 C ATOM 390 O3' DA A 13 -4.633 7.307 -7.311 1.00 0.53 O ATOM 391 C2' DA A 13 -3.226 6.390 -5.566 1.00 0.51 C ATOM 392 C1' DA A 13 -2.302 7.590 -5.487 1.00 0.54 C ATOM 393 N9 DA A 13 -1.136 7.399 -4.610 1.00 0.53 N ATOM 394 C8 DA A 13 -1.115 7.303 -3.239 1.00 0.62 C ATOM 395 N7 DA A 13 0.087 7.135 -2.736 1.00 0.61 N ATOM 396 C5 DA A 13 0.916 7.117 -3.852 1.00 0.54 C ATOM 397 C6 DA A 13 2.320 6.973 -4.003 1.00 0.56 C ATOM 398 N6 DA A 13 3.172 6.841 -2.979 1.00 0.60 N ATOM 399 N1 DA A 13 2.827 6.999 -5.263 1.00 0.61 N ATOM 400 C2 DA A 13 1.978 7.163 -6.295 1.00 0.62 C ATOM 401 N3 DA A 13 0.648 7.310 -6.280 1.00 0.55 N ATOM 402 C4 DA A 13 0.172 7.279 -5.014 1.00 0.51 C ATOM 0 H5' DA A 13 -5.863 7.459 -3.727 1.00 0.71 H new ATOM 0 H5'' DA A 13 -4.380 8.055 -3.007 1.00 0.71 H new ATOM 0 H4' DA A 13 -5.076 9.105 -5.664 1.00 0.60 H new ATOM 0 H3' DA A 13 -5.410 6.408 -5.663 1.00 0.50 H new ATOM 0 H2' DA A 13 -3.268 5.845 -4.623 1.00 0.51 H new ATOM 0 H2'' DA A 13 -2.909 5.681 -6.330 1.00 0.51 H new ATOM 0 H1' DA A 13 -1.895 7.780 -6.480 1.00 0.54 H new ATOM 0 H8 DA A 13 -2.006 7.360 -2.631 1.00 0.62 H new ATOM 0 H61 DA A 13 4.171 6.741 -3.157 1.00 0.60 H new ATOM 0 H62 DA A 13 2.822 6.840 -2.021 1.00 0.60 H new ATOM 0 H2 DA A 13 2.435 7.178 -7.273 1.00 0.62 H new ATOM 414 P DG A 14 -5.821 6.687 -8.191 1.00 0.49 P ATOM 415 OP1 DG A 14 -6.142 7.629 -9.294 1.00 0.62 O ATOM 416 OP2 DG A 14 -6.930 6.285 -7.297 1.00 0.53 O ATOM 417 O5' DG A 14 -5.142 5.380 -8.809 1.00 0.46 O ATOM 418 C5' DG A 14 -4.606 5.393 -10.128 1.00 0.43 C ATOM 419 C4' DG A 14 -3.490 4.382 -10.299 1.00 0.38 C ATOM 420 O4' DG A 14 -2.519 4.508 -9.218 1.00 0.36 O ATOM 421 C3' DG A 14 -3.919 2.896 -10.287 1.00 0.39 C ATOM 422 O3' DG A 14 -3.225 2.212 -11.332 1.00 0.49 O ATOM 423 C2' DG A 14 -3.434 2.414 -8.926 1.00 0.34 C ATOM 424 C1' DG A 14 -2.167 3.212 -8.792 1.00 0.32 C ATOM 425 N9 DG A 14 -1.598 3.291 -7.444 1.00 0.29 N ATOM 426 C8 DG A 14 -2.264 3.296 -6.241 1.00 0.35 C ATOM 427 N7 DG A 14 -1.458 3.364 -5.214 1.00 0.35 N ATOM 428 C5 DG A 14 -0.189 3.404 -5.772 1.00 0.29 C ATOM 429 C6 DG A 14 1.095 3.476 -5.154 1.00 0.32 C ATOM 430 O6 DG A 14 1.359 3.523 -3.948 1.00 0.34 O ATOM 431 N1 DG A 14 2.128 3.492 -6.100 1.00 0.36 N ATOM 432 C2 DG A 14 1.936 3.444 -7.471 1.00 0.39 C ATOM 433 N2 DG A 14 3.033 3.457 -8.242 1.00 0.50 N ATOM 434 N3 DG A 14 0.745 3.379 -8.049 1.00 0.33 N ATOM 435 C4 DG A 14 -0.265 3.361 -7.149 1.00 0.28 C ATOM 0 H5' DG A 14 -4.230 6.390 -10.356 1.00 0.43 H new ATOM 0 H5'' DG A 14 -5.400 5.181 -10.844 1.00 0.43 H new ATOM 0 H4' DG A 14 -3.092 4.619 -11.285 1.00 0.38 H new ATOM 0 H3' DG A 14 -4.986 2.733 -10.439 1.00 0.39 H new ATOM 0 H2' DG A 14 -4.147 2.631 -8.131 1.00 0.34 H new ATOM 0 H2'' DG A 14 -3.252 1.339 -8.907 1.00 0.34 H new ATOM 0 H1' DG A 14 -1.388 2.722 -9.376 1.00 0.32 H new ATOM 0 H8 DG A 14 -3.339 3.249 -6.154 1.00 0.35 H new ATOM 0 H1 DG A 14 3.087 3.542 -5.756 1.00 0.36 H new ATOM 0 H21 DG A 14 2.943 3.423 -9.257 1.00 0.50 H new ATOM 0 H22 DG A 14 3.957 3.501 -7.813 1.00 0.50 H new ATOM 447 P DG A 15 -3.648 0.736 -11.779 1.00 0.53 P ATOM 448 OP1 DG A 15 -4.677 0.833 -12.846 1.00 0.77 O ATOM 449 OP2 DG A 15 -3.975 -0.078 -10.581 1.00 0.66 O ATOM 450 O5' DG A 15 -2.287 0.195 -12.419 1.00 0.51 O ATOM 451 C5' DG A 15 -1.638 0.900 -13.477 1.00 0.56 C ATOM 452 C4' DG A 15 -0.128 0.829 -13.357 1.00 0.49 C ATOM 453 O4' DG A 15 0.281 1.158 -11.996 1.00 0.44 O ATOM 454 C3' DG A 15 0.479 -0.548 -13.661 1.00 0.46 C ATOM 455 O3' DG A 15 1.675 -0.383 -14.445 1.00 0.57 O ATOM 456 C2' DG A 15 0.804 -1.091 -12.268 1.00 0.44 C ATOM 457 C1' DG A 15 1.217 0.201 -11.535 1.00 0.42 C ATOM 458 N9 DG A 15 1.136 0.140 -10.059 1.00 0.39 N ATOM 459 C8 DG A 15 0.000 0.035 -9.289 1.00 0.38 C ATOM 460 N7 DG A 15 0.247 0.002 -8.011 1.00 0.39 N ATOM 461 C5 DG A 15 1.621 0.091 -7.918 1.00 0.37 C ATOM 462 C6 DG A 15 2.462 0.106 -6.768 1.00 0.39 C ATOM 463 O6 DG A 15 2.125 0.044 -5.582 1.00 0.40 O ATOM 464 N1 DG A 15 3.811 0.208 -7.110 1.00 0.46 N ATOM 465 C2 DG A 15 4.283 0.291 -8.410 1.00 0.55 C ATOM 466 N2 DG A 15 5.609 0.374 -8.554 1.00 0.67 N ATOM 467 N3 DG A 15 3.503 0.282 -9.490 1.00 0.53 N ATOM 468 C4 DG A 15 2.191 0.179 -9.175 1.00 0.42 C ATOM 0 H5' DG A 15 -1.955 1.943 -13.467 1.00 0.56 H new ATOM 0 H5'' DG A 15 -1.947 0.482 -14.435 1.00 0.56 H new ATOM 0 H4' DG A 15 0.235 1.538 -14.101 1.00 0.49 H new ATOM 0 H3' DG A 15 -0.174 -1.210 -14.229 1.00 0.46 H new ATOM 0 H2' DG A 15 -0.056 -1.572 -11.802 1.00 0.44 H new ATOM 0 H2'' DG A 15 1.608 -1.827 -12.290 1.00 0.44 H new ATOM 0 H1' DG A 15 2.265 0.417 -11.744 1.00 0.42 H new ATOM 0 H8 DG A 15 -0.996 -0.015 -9.703 1.00 0.38 H new ATOM 0 H1 DG A 15 4.495 0.222 -6.353 1.00 0.46 H new ATOM 0 H21 DG A 15 6.018 0.438 -9.486 1.00 0.67 H new ATOM 0 H22 DG A 15 6.212 0.374 -7.732 1.00 0.67 H new ATOM 480 P DG A 16 2.495 -1.663 -14.976 1.00 0.74 P ATOM 481 OP1 DG A 16 3.261 -1.277 -16.190 1.00 0.88 O ATOM 482 OP2 DG A 16 1.567 -2.818 -15.088 1.00 0.93 O ATOM 483 O5' DG A 16 3.518 -1.928 -13.784 1.00 0.66 O ATOM 484 C5' DG A 16 4.395 -0.904 -13.318 1.00 0.54 C ATOM 485 C4' DG A 16 5.522 -1.486 -12.499 1.00 0.51 C ATOM 486 O4' DG A 16 5.136 -1.523 -11.110 1.00 0.78 O ATOM 487 C3' DG A 16 5.940 -2.920 -12.850 1.00 0.59 C ATOM 488 O3' DG A 16 7.369 -3.073 -12.734 1.00 0.81 O ATOM 489 C2' DG A 16 5.249 -3.714 -11.768 1.00 0.66 C ATOM 490 C1' DG A 16 5.445 -2.787 -10.587 1.00 0.72 C ATOM 491 N9 DG A 16 4.595 -3.019 -9.415 1.00 0.71 N ATOM 492 C8 DG A 16 3.224 -3.134 -9.367 1.00 0.69 C ATOM 493 N7 DG A 16 2.766 -3.241 -8.146 1.00 0.70 N ATOM 494 C5 DG A 16 3.902 -3.195 -7.348 1.00 0.72 C ATOM 495 C6 DG A 16 4.043 -3.259 -5.927 1.00 0.74 C ATOM 496 O6 DG A 16 3.156 -3.369 -5.077 1.00 0.75 O ATOM 497 N1 DG A 16 5.387 -3.173 -5.535 1.00 0.79 N ATOM 498 C2 DG A 16 6.453 -3.043 -6.412 1.00 0.82 C ATOM 499 N2 DG A 16 7.679 -2.975 -5.882 1.00 0.90 N ATOM 500 N3 DG A 16 6.322 -2.982 -7.729 1.00 0.79 N ATOM 501 C4 DG A 16 5.033 -3.062 -8.124 1.00 0.73 C ATOM 0 H5' DG A 16 3.836 -0.188 -12.716 1.00 0.54 H new ATOM 0 H5'' DG A 16 4.803 -0.356 -14.167 1.00 0.54 H new ATOM 0 H4' DG A 16 6.366 -0.832 -12.717 1.00 0.51 H new ATOM 0 H3' DG A 16 5.682 -3.219 -13.866 1.00 0.59 H new ATOM 0 H2' DG A 16 4.196 -3.889 -11.989 1.00 0.66 H new ATOM 0 H2'' DG A 16 5.708 -4.690 -11.611 1.00 0.66 H new ATOM 0 H1' DG A 16 6.455 -2.929 -10.203 1.00 0.72 H new ATOM 0 H8 DG A 16 2.594 -3.136 -10.244 1.00 0.69 H new ATOM 0 H1 DG A 16 5.594 -3.209 -4.537 1.00 0.79 H new ATOM 0 H21 DG A 16 8.493 -2.879 -6.490 1.00 0.90 H new ATOM 0 H22 DG A 16 7.800 -3.019 -4.870 1.00 0.90 H new ATOM 513 P DA A 17 8.360 -2.542 -13.887 1.00 0.97 P ATOM 514 OP1 DA A 17 7.925 -3.105 -15.192 1.00 1.12 O ATOM 515 OP2 DA A 17 9.759 -2.799 -13.460 1.00 1.51 O ATOM 516 O5' DA A 17 8.090 -0.968 -13.886 1.00 1.06 O ATOM 517 C5' DA A 17 8.980 -0.041 -13.264 1.00 1.05 C ATOM 518 C4' DA A 17 8.792 1.349 -13.841 1.00 1.01 C ATOM 519 O4' DA A 17 9.167 1.330 -15.245 1.00 1.40 O ATOM 520 C3' DA A 17 7.349 1.887 -13.817 1.00 0.91 C ATOM 521 O3' DA A 17 7.351 3.320 -13.679 1.00 1.07 O ATOM 522 C2' DA A 17 6.839 1.516 -15.191 1.00 1.28 C ATOM 523 C1' DA A 17 8.072 1.750 -16.041 1.00 1.58 C ATOM 524 N9 DA A 17 8.083 1.022 -17.325 1.00 2.08 N ATOM 525 C8 DA A 17 8.307 -0.326 -17.567 1.00 2.15 C ATOM 526 N7 DA A 17 8.221 -0.653 -18.834 1.00 2.69 N ATOM 527 C5 DA A 17 7.927 0.544 -19.472 1.00 3.09 C ATOM 528 C6 DA A 17 7.711 0.872 -20.832 1.00 3.85 C ATOM 529 N6 DA A 17 7.775 -0.017 -21.826 1.00 4.26 N ATOM 530 N1 DA A 17 7.438 2.168 -21.140 1.00 4.24 N ATOM 531 C2 DA A 17 7.386 3.067 -20.138 1.00 3.90 C ATOM 532 N3 DA A 17 7.569 2.880 -18.824 1.00 3.15 N ATOM 533 C4 DA A 17 7.840 1.582 -18.554 1.00 2.76 C ATOM 0 H5' DA A 17 10.011 -0.365 -13.409 1.00 1.05 H new ATOM 0 H5'' DA A 17 8.801 -0.022 -12.189 1.00 1.05 H new ATOM 0 H4' DA A 17 9.406 1.991 -13.210 1.00 1.01 H new ATOM 0 H3' DA A 17 6.753 1.490 -12.995 1.00 0.91 H new ATOM 0 H2' DA A 17 6.499 0.482 -15.237 1.00 1.28 H new ATOM 0 H2'' DA A 17 6.002 2.141 -15.501 1.00 1.28 H new ATOM 0 H1' DA A 17 8.109 2.802 -16.322 1.00 1.58 H new ATOM 0 H8 DA A 17 8.531 -1.038 -16.786 1.00 2.15 H new ATOM 0 H61 DA A 17 7.609 0.280 -22.788 1.00 4.26 H new ATOM 0 H62 DA A 17 7.989 -0.993 -21.624 1.00 4.26 H new ATOM 0 H2 DA A 17 7.166 4.081 -20.436 1.00 3.90 H new ATOM 545 P DG A 18 6.713 4.032 -12.388 1.00 1.02 P ATOM 546 OP1 DG A 18 5.607 3.190 -11.861 1.00 1.17 O ATOM 547 OP2 DG A 18 6.403 5.445 -12.725 1.00 1.35 O ATOM 548 O5' DG A 18 7.924 3.997 -11.360 1.00 0.95 O ATOM 549 C5' DG A 18 9.115 4.748 -11.586 1.00 0.76 C ATOM 550 C4' DG A 18 10.134 4.467 -10.500 1.00 0.76 C ATOM 551 O4' DG A 18 9.526 4.719 -9.203 1.00 0.84 O ATOM 552 C3' DG A 18 10.654 3.024 -10.439 1.00 0.77 C ATOM 553 O3' DG A 18 12.028 3.013 -10.008 1.00 0.97 O ATOM 554 C2' DG A 18 9.753 2.375 -9.396 1.00 0.80 C ATOM 555 C1' DG A 18 9.469 3.525 -8.432 1.00 0.85 C ATOM 556 N9 DG A 18 8.147 3.462 -7.763 1.00 0.76 N ATOM 557 C8 DG A 18 6.900 3.368 -8.355 1.00 0.71 C ATOM 558 N7 DG A 18 5.919 3.402 -7.499 1.00 0.63 N ATOM 559 C5 DG A 18 6.534 3.512 -6.270 1.00 0.61 C ATOM 560 C6 DG A 18 5.963 3.586 -4.969 1.00 0.54 C ATOM 561 O6 DG A 18 4.766 3.577 -4.663 1.00 0.49 O ATOM 562 N1 DG A 18 6.941 3.683 -3.979 1.00 0.56 N ATOM 563 C2 DG A 18 8.301 3.703 -4.222 1.00 0.64 C ATOM 564 N2 DG A 18 9.088 3.755 -3.146 1.00 0.65 N ATOM 565 N3 DG A 18 8.845 3.645 -5.435 1.00 0.72 N ATOM 566 C4 DG A 18 7.911 3.549 -6.409 1.00 0.69 C ATOM 0 H5' DG A 18 8.882 5.813 -11.608 1.00 0.76 H new ATOM 0 H5'' DG A 18 9.533 4.493 -12.560 1.00 0.76 H new ATOM 0 H4' DG A 18 10.975 5.117 -10.740 1.00 0.76 H new ATOM 0 H3' DG A 18 10.630 2.509 -11.399 1.00 0.77 H new ATOM 0 H2' DG A 18 8.838 1.984 -9.840 1.00 0.80 H new ATOM 0 H2'' DG A 18 10.247 1.541 -8.897 1.00 0.80 H new ATOM 0 H1' DG A 18 10.207 3.476 -7.631 1.00 0.85 H new ATOM 0 H8 DG A 18 6.755 3.276 -9.421 1.00 0.71 H new ATOM 0 H1 DG A 18 6.631 3.743 -3.009 1.00 0.56 H new ATOM 0 H21 DG A 18 10.102 3.772 -3.256 1.00 0.65 H new ATOM 0 H22 DG A 18 8.676 3.778 -2.213 1.00 0.65 H new ATOM 578 P DG A 19 12.854 1.629 -9.946 1.00 1.15 P ATOM 579 OP1 DG A 19 14.299 1.921 -10.123 1.00 1.39 O ATOM 580 OP2 DG A 19 12.231 0.654 -10.878 1.00 1.25 O ATOM 581 O5' DG A 19 12.601 1.150 -8.444 1.00 1.10 O ATOM 582 C5' DG A 19 13.020 1.947 -7.340 1.00 1.15 C ATOM 583 C4' DG A 19 12.659 1.298 -6.021 1.00 1.05 C ATOM 584 O4' DG A 19 11.252 1.494 -5.747 1.00 0.95 O ATOM 585 C3' DG A 19 12.888 -0.224 -5.943 1.00 1.06 C ATOM 586 O3' DG A 19 13.754 -0.515 -4.830 1.00 1.15 O ATOM 587 C2' DG A 19 11.482 -0.798 -5.717 1.00 0.97 C ATOM 588 C1' DG A 19 10.760 0.362 -5.071 1.00 0.90 C ATOM 589 N9 DG A 19 9.296 0.320 -5.189 1.00 0.79 N ATOM 590 C8 DG A 19 8.551 0.269 -6.340 1.00 0.80 C ATOM 591 N7 DG A 19 7.268 0.251 -6.120 1.00 0.70 N ATOM 592 C5 DG A 19 7.151 0.288 -4.745 1.00 0.61 C ATOM 593 C6 DG A 19 5.988 0.287 -3.923 1.00 0.50 C ATOM 594 O6 DG A 19 4.804 0.254 -4.283 1.00 0.47 O ATOM 595 N1 DG A 19 6.318 0.330 -2.560 1.00 0.46 N ATOM 596 C2 DG A 19 7.615 0.368 -2.068 1.00 0.51 C ATOM 597 N2 DG A 19 7.765 0.400 -0.737 1.00 0.47 N ATOM 598 N3 DG A 19 8.700 0.372 -2.837 1.00 0.63 N ATOM 599 C4 DG A 19 8.398 0.330 -4.152 1.00 0.67 C ATOM 0 H5' DG A 19 12.555 2.931 -7.402 1.00 1.15 H new ATOM 0 H5'' DG A 19 14.098 2.100 -7.389 1.00 1.15 H new ATOM 0 H4' DG A 19 13.324 1.779 -5.304 1.00 1.05 H new ATOM 0 H3' DG A 19 13.361 -0.644 -6.831 1.00 1.06 H new ATOM 0 H2' DG A 19 11.011 -1.100 -6.652 1.00 0.97 H new ATOM 0 H2'' DG A 19 11.500 -1.676 -5.071 1.00 0.97 H new ATOM 0 H1' DG A 19 10.944 0.353 -3.997 1.00 0.90 H new ATOM 0 H8 DG A 19 8.985 0.246 -7.329 1.00 0.80 H new ATOM 0 H1 DG A 19 5.553 0.334 -1.885 1.00 0.46 H new ATOM 0 H21 DG A 19 8.700 0.429 -0.330 1.00 0.47 H new ATOM 0 H22 DG A 19 6.944 0.396 -0.131 1.00 0.47 H new ATOM 611 P DG A 20 14.219 -2.023 -4.501 1.00 1.18 P ATOM 612 OP1 DG A 20 15.696 -2.047 -4.346 1.00 1.40 O ATOM 613 OP2 DG A 20 13.619 -2.949 -5.496 1.00 1.21 O ATOM 614 O5' DG A 20 13.544 -2.272 -3.080 1.00 1.17 O ATOM 615 C5' DG A 20 13.757 -1.370 -1.997 1.00 1.18 C ATOM 616 C4' DG A 20 13.149 -1.904 -0.717 1.00 1.04 C ATOM 617 O4' DG A 20 11.709 -1.698 -0.744 1.00 0.98 O ATOM 618 C3' DG A 20 13.351 -3.407 -0.489 1.00 0.99 C ATOM 619 O3' DG A 20 13.569 -3.680 0.907 1.00 1.03 O ATOM 620 C2' DG A 20 12.036 -3.996 -0.954 1.00 0.91 C ATOM 621 C1' DG A 20 11.044 -2.929 -0.525 1.00 0.88 C ATOM 622 N9 DG A 20 9.790 -2.936 -1.288 1.00 0.83 N ATOM 623 C8 DG A 20 9.652 -2.969 -2.656 1.00 0.95 C ATOM 624 N7 DG A 20 8.408 -3.012 -3.042 1.00 0.88 N ATOM 625 C5 DG A 20 7.678 -3.006 -1.870 1.00 0.71 C ATOM 626 C6 DG A 20 6.269 -3.040 -1.668 1.00 0.60 C ATOM 627 O6 DG A 20 5.381 -3.089 -2.528 1.00 0.63 O ATOM 628 N1 DG A 20 5.938 -3.017 -0.309 1.00 0.51 N ATOM 629 C2 DG A 20 6.860 -2.967 0.723 1.00 0.51 C ATOM 630 N2 DG A 20 6.363 -2.951 1.968 1.00 0.53 N ATOM 631 N3 DG A 20 8.180 -2.935 0.541 1.00 0.59 N ATOM 632 C4 DG A 20 8.516 -2.957 -0.772 1.00 0.68 C ATOM 0 H5' DG A 20 13.319 -0.401 -2.235 1.00 1.18 H new ATOM 0 H5'' DG A 20 14.826 -1.211 -1.857 1.00 1.18 H new ATOM 0 H4' DG A 20 13.658 -1.362 0.080 1.00 1.04 H new ATOM 0 H3' DG A 20 14.215 -3.816 -1.013 1.00 0.99 H new ATOM 0 H2' DG A 20 12.020 -4.159 -2.032 1.00 0.91 H new ATOM 0 H2'' DG A 20 11.830 -4.957 -0.483 1.00 0.91 H new ATOM 0 H1' DG A 20 10.753 -3.104 0.511 1.00 0.88 H new ATOM 0 H8 DG A 20 10.488 -2.960 -3.340 1.00 0.95 H new ATOM 0 H1 DG A 20 4.949 -3.039 -0.061 1.00 0.51 H new ATOM 0 H21 DG A 20 6.994 -2.915 2.769 1.00 0.53 H new ATOM 0 H22 DG A 20 5.354 -2.975 2.115 1.00 0.53 H new ATOM 644 P DT A 21 14.180 -5.097 1.378 1.00 1.21 P ATOM 645 OP1 DT A 21 14.823 -4.927 2.706 1.00 1.35 O ATOM 646 OP2 DT A 21 15.011 -5.652 0.279 1.00 1.31 O ATOM 647 O5' DT A 21 12.874 -6.001 1.546 1.00 1.36 O ATOM 648 C5' DT A 21 12.136 -6.016 2.764 1.00 1.36 C ATOM 649 C4' DT A 21 10.926 -6.923 2.655 1.00 1.28 C ATOM 650 O4' DT A 21 9.986 -6.367 1.715 1.00 1.14 O ATOM 651 C3' DT A 21 11.210 -8.319 2.127 1.00 1.42 C ATOM 652 O3' DT A 21 11.613 -9.191 3.187 1.00 1.72 O ATOM 653 C2' DT A 21 9.862 -8.738 1.553 1.00 1.29 C ATOM 654 C1' DT A 21 9.256 -7.410 1.077 1.00 1.09 C ATOM 655 N1 DT A 21 9.310 -7.186 -0.385 1.00 1.23 N ATOM 656 C2 DT A 21 8.177 -6.679 -1.011 1.00 1.34 C ATOM 657 O2 DT A 21 7.141 -6.431 -0.414 1.00 1.31 O ATOM 658 N3 DT A 21 8.307 -6.468 -2.368 1.00 1.66 N ATOM 659 C4 DT A 21 9.430 -6.709 -3.144 1.00 1.88 C ATOM 660 O4 DT A 21 9.401 -6.471 -4.349 1.00 2.24 O ATOM 661 C5 DT A 21 10.582 -7.240 -2.429 1.00 1.77 C ATOM 662 C7 DT A 21 11.838 -7.522 -3.197 1.00 2.11 C ATOM 663 C6 DT A 21 10.472 -7.455 -1.102 1.00 1.47 C ATOM 0 H5' DT A 21 11.815 -5.004 3.012 1.00 1.36 H new ATOM 0 H5'' DT A 21 12.777 -6.355 3.578 1.00 1.36 H new ATOM 0 H4' DT A 21 10.559 -6.995 3.679 1.00 1.28 H new ATOM 0 H3' DT A 21 12.019 -8.354 1.398 1.00 1.42 H new ATOM 0 H2' DT A 21 9.976 -9.446 0.732 1.00 1.29 H new ATOM 0 H2'' DT A 21 9.236 -9.220 2.304 1.00 1.29 H new ATOM 0 HO3' DT A 21 11.789 -10.085 2.826 1.00 1.72 H new ATOM 0 H1' DT A 21 8.197 -7.431 1.335 1.00 1.09 H new ATOM 0 H3 DT A 21 7.490 -6.095 -2.852 1.00 1.66 H new ATOM 0 H71 DT A 21 12.701 -7.390 -2.544 1.00 2.11 H new ATOM 0 H72 DT A 21 11.816 -8.547 -3.567 1.00 2.11 H new ATOM 0 H73 DT A 21 11.912 -6.834 -4.039 1.00 2.11 H new ATOM 0 H6 DT A 21 11.324 -7.854 -0.572 1.00 1.47 H new TER 677 DT A 21