USER MOD reduce.3.24.130724 H: found=0, std=0, add=235, rem=0, adj=4 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=-0.00641 USER MOD Single : A 12 DT C7 :methyl -30:sc= -0.312 (180deg=-0.441) USER MOD Single : A 21 DT C7 :methyl -30:sc= 0 (180deg=-0.00151) USER MOD Single : A 21 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 12.864 9.300 -0.082 1.00 1.86 O ATOM 2 C5' DC A 1 11.578 9.390 -0.675 1.00 1.62 C ATOM 3 C4' DC A 1 10.729 8.213 -0.253 1.00 1.15 C ATOM 4 O4' DC A 1 9.488 8.228 -1.000 1.00 0.97 O ATOM 5 C3' DC A 1 11.367 6.835 -0.516 1.00 0.85 C ATOM 6 O3' DC A 1 11.325 6.035 0.673 1.00 0.77 O ATOM 7 C2' DC A 1 10.494 6.221 -1.607 1.00 0.87 C ATOM 8 C1' DC A 1 9.162 6.913 -1.388 1.00 0.85 C ATOM 9 N1 DC A 1 8.281 6.979 -2.572 1.00 0.83 N ATOM 10 C2 DC A 1 6.902 6.734 -2.404 1.00 0.80 C ATOM 11 O2 DC A 1 6.473 6.471 -1.268 1.00 0.84 O ATOM 12 N3 DC A 1 6.076 6.793 -3.485 1.00 0.82 N ATOM 13 C4 DC A 1 6.577 7.084 -4.697 1.00 0.92 C ATOM 14 N4 DC A 1 5.732 7.153 -5.725 1.00 1.01 N ATOM 15 C5 DC A 1 7.973 7.336 -4.898 1.00 1.02 C ATOM 16 C6 DC A 1 8.780 7.274 -3.821 1.00 0.95 C ATOM 0 H5' DC A 1 11.670 9.411 -1.761 1.00 1.62 H new ATOM 0 H5'' DC A 1 11.096 10.321 -0.378 1.00 1.62 H new ATOM 0 H4' DC A 1 10.596 8.330 0.823 1.00 1.15 H new ATOM 0 H3' DC A 1 12.414 6.903 -0.810 1.00 0.85 H new ATOM 0 H2' DC A 1 10.893 6.414 -2.603 1.00 0.87 H new ATOM 0 H2'' DC A 1 10.412 5.139 -1.501 1.00 0.87 H new ATOM 0 HO5' DC A 1 13.408 10.066 -0.362 1.00 1.86 H new ATOM 0 H1' DC A 1 8.598 6.340 -0.652 1.00 0.85 H new ATOM 0 H41 DC A 1 6.081 7.372 -6.658 1.00 1.01 H new ATOM 0 H42 DC A 1 4.736 6.987 -5.579 1.00 1.01 H new ATOM 0 H5 DC A 1 8.364 7.567 -5.878 1.00 1.02 H new ATOM 0 H6 DC A 1 9.837 7.459 -3.939 1.00 0.95 H new ATOM 29 P DG A 2 12.504 4.987 0.961 1.00 0.94 P ATOM 30 OP1 DG A 2 13.723 5.732 1.369 1.00 1.45 O ATOM 31 OP2 DG A 2 12.617 4.065 -0.196 1.00 1.44 O ATOM 32 O5' DG A 2 11.945 4.176 2.218 1.00 0.72 O ATOM 33 C5' DG A 2 11.886 4.763 3.517 1.00 0.72 C ATOM 34 C4' DG A 2 10.639 4.327 4.261 1.00 0.60 C ATOM 35 O4' DG A 2 9.465 4.637 3.458 1.00 0.50 O ATOM 36 C3' DG A 2 10.548 2.822 4.560 1.00 0.55 C ATOM 37 O3' DG A 2 9.919 2.621 5.832 1.00 0.65 O ATOM 38 C2' DG A 2 9.672 2.310 3.428 1.00 0.46 C ATOM 39 C1' DG A 2 8.704 3.459 3.240 1.00 0.38 C ATOM 40 N9 DG A 2 8.098 3.535 1.904 1.00 0.32 N ATOM 41 C8 DG A 2 8.748 3.593 0.695 1.00 0.36 C ATOM 42 N7 DG A 2 7.933 3.651 -0.326 1.00 0.39 N ATOM 43 C5 DG A 2 6.668 3.626 0.245 1.00 0.32 C ATOM 44 C6 DG A 2 5.378 3.662 -0.366 1.00 0.34 C ATOM 45 O6 DG A 2 5.106 3.721 -1.570 1.00 0.42 O ATOM 46 N1 DG A 2 4.349 3.617 0.588 1.00 0.28 N ATOM 47 C2 DG A 2 4.551 3.546 1.956 1.00 0.27 C ATOM 48 N2 DG A 2 3.458 3.510 2.734 1.00 0.30 N ATOM 49 N3 DG A 2 5.751 3.512 2.527 1.00 0.29 N ATOM 50 C4 DG A 2 6.756 3.556 1.622 1.00 0.29 C ATOM 0 H5' DG A 2 11.898 5.849 3.429 1.00 0.72 H new ATOM 0 H5'' DG A 2 12.771 4.479 4.087 1.00 0.72 H new ATOM 0 H4' DG A 2 10.687 4.862 5.209 1.00 0.60 H new ATOM 0 H3' DG A 2 11.512 2.316 4.612 1.00 0.55 H new ATOM 0 H2' DG A 2 10.248 2.109 2.525 1.00 0.46 H new ATOM 0 H2'' DG A 2 9.161 1.384 3.693 1.00 0.46 H new ATOM 0 H1' DG A 2 7.871 3.325 3.930 1.00 0.38 H new ATOM 0 H8 DG A 2 9.824 3.591 0.598 1.00 0.36 H new ATOM 0 H1 DG A 2 3.387 3.638 0.250 1.00 0.28 H new ATOM 0 H21 DG A 2 3.555 3.458 3.748 1.00 0.30 H new ATOM 0 H22 DG A 2 2.530 3.535 2.311 1.00 0.30 H new ATOM 62 P DG A 3 9.709 1.137 6.404 1.00 0.77 P ATOM 63 OP1 DG A 3 10.018 1.132 7.858 1.00 1.03 O ATOM 64 OP2 DG A 3 10.448 0.177 5.545 1.00 0.88 O ATOM 65 O5' DG A 3 8.141 0.915 6.207 1.00 0.65 O ATOM 66 C5' DG A 3 7.190 1.665 6.961 1.00 0.59 C ATOM 67 C4' DG A 3 5.804 1.068 6.848 1.00 0.41 C ATOM 68 O4' DG A 3 5.269 1.335 5.522 1.00 0.41 O ATOM 69 C3' DG A 3 5.737 -0.462 7.027 1.00 0.37 C ATOM 70 O3' DG A 3 4.618 -0.808 7.851 1.00 0.41 O ATOM 71 C2' DG A 3 5.538 -0.974 5.607 1.00 0.34 C ATOM 72 C1' DG A 3 4.734 0.145 4.981 1.00 0.31 C ATOM 73 N9 DG A 3 4.816 0.216 3.514 1.00 0.30 N ATOM 74 C8 DG A 3 5.954 0.277 2.743 1.00 0.35 C ATOM 75 N7 DG A 3 5.705 0.316 1.460 1.00 0.34 N ATOM 76 C5 DG A 3 4.322 0.280 1.378 1.00 0.30 C ATOM 77 C6 DG A 3 3.469 0.295 0.236 1.00 0.30 C ATOM 78 O6 DG A 3 3.795 0.344 -0.952 1.00 0.32 O ATOM 79 N1 DG A 3 2.116 0.244 0.595 1.00 0.30 N ATOM 80 C2 DG A 3 1.651 0.187 1.897 1.00 0.32 C ATOM 81 N2 DG A 3 0.319 0.145 2.051 1.00 0.37 N ATOM 82 N3 DG A 3 2.441 0.172 2.970 1.00 0.30 N ATOM 83 C4 DG A 3 3.757 0.220 2.639 1.00 0.29 C ATOM 0 H5' DG A 3 7.174 2.696 6.607 1.00 0.59 H new ATOM 0 H5'' DG A 3 7.492 1.692 8.008 1.00 0.59 H new ATOM 0 H4' DG A 3 5.238 1.532 7.656 1.00 0.41 H new ATOM 0 H3' DG A 3 6.620 -0.883 7.508 1.00 0.37 H new ATOM 0 H2' DG A 3 6.486 -1.132 5.093 1.00 0.34 H new ATOM 0 H2'' DG A 3 5.002 -1.923 5.586 1.00 0.34 H new ATOM 0 H1' DG A 3 3.679 -0.020 5.200 1.00 0.31 H new ATOM 0 H8 DG A 3 6.952 0.291 3.156 1.00 0.35 H new ATOM 0 H1 DG A 3 1.425 0.249 -0.156 1.00 0.30 H new ATOM 0 H21 DG A 3 -0.085 0.102 2.987 1.00 0.37 H new ATOM 0 H22 DG A 3 -0.290 0.156 1.233 1.00 0.37 H new ATOM 95 P DG A 4 4.479 -2.300 8.426 1.00 0.55 P ATOM 96 OP1 DG A 4 4.313 -2.236 9.900 1.00 0.76 O ATOM 97 OP2 DG A 4 5.593 -3.129 7.897 1.00 0.68 O ATOM 98 O5' DG A 4 3.110 -2.794 7.772 1.00 0.54 O ATOM 99 C5' DG A 4 1.861 -2.244 8.182 1.00 0.48 C ATOM 100 C4' DG A 4 0.730 -2.711 7.287 1.00 0.44 C ATOM 101 O4' DG A 4 1.019 -2.345 5.909 1.00 0.52 O ATOM 102 C3' DG A 4 0.490 -4.235 7.267 1.00 0.47 C ATOM 103 O3' DG A 4 -0.913 -4.523 7.236 1.00 0.56 O ATOM 104 C2' DG A 4 1.125 -4.660 5.952 1.00 0.51 C ATOM 105 C1' DG A 4 0.809 -3.466 5.080 1.00 0.51 C ATOM 106 N9 DG A 4 1.641 -3.321 3.877 1.00 0.49 N ATOM 107 C8 DG A 4 3.011 -3.230 3.813 1.00 0.49 C ATOM 108 N7 DG A 4 3.460 -3.110 2.592 1.00 0.48 N ATOM 109 C5 DG A 4 2.321 -3.121 1.803 1.00 0.47 C ATOM 110 C6 DG A 4 2.180 -3.024 0.386 1.00 0.48 C ATOM 111 O6 DG A 4 3.067 -2.909 -0.461 1.00 0.50 O ATOM 112 N1 DG A 4 0.841 -3.078 -0.008 1.00 0.50 N ATOM 113 C2 DG A 4 -0.228 -3.210 0.859 1.00 0.52 C ATOM 114 N2 DG A 4 -1.444 -3.248 0.301 1.00 0.57 N ATOM 115 N3 DG A 4 -0.106 -3.301 2.182 1.00 0.51 N ATOM 116 C4 DG A 4 1.188 -3.251 2.583 1.00 0.48 C ATOM 0 H5' DG A 4 1.917 -1.156 8.162 1.00 0.48 H new ATOM 0 H5'' DG A 4 1.655 -2.534 9.212 1.00 0.48 H new ATOM 0 H4' DG A 4 -0.156 -2.230 7.702 1.00 0.44 H new ATOM 0 H3' DG A 4 0.897 -4.743 8.141 1.00 0.47 H new ATOM 0 H2' DG A 4 2.198 -4.829 6.047 1.00 0.51 H new ATOM 0 H2'' DG A 4 0.691 -5.581 5.563 1.00 0.51 H new ATOM 0 H1' DG A 4 -0.206 -3.580 4.700 1.00 0.51 H new ATOM 0 H8 DG A 4 3.651 -3.255 4.683 1.00 0.49 H new ATOM 0 H1 DG A 4 0.637 -3.016 -1.006 1.00 0.50 H new ATOM 0 H21 DG A 4 -2.272 -3.344 0.889 1.00 0.57 H new ATOM 0 H22 DG A 4 -1.543 -3.181 -0.712 1.00 0.57 H new ATOM 128 P DC A 5 -1.779 -4.505 8.584 1.00 0.78 P ATOM 129 OP1 DC A 5 -1.354 -3.362 9.432 1.00 1.06 O ATOM 130 OP2 DC A 5 -1.739 -5.860 9.192 1.00 1.07 O ATOM 131 O5' DC A 5 -3.255 -4.226 8.035 1.00 0.98 O ATOM 132 C5' DC A 5 -3.658 -2.935 7.574 1.00 1.06 C ATOM 133 C4' DC A 5 -3.095 -2.642 6.198 1.00 0.87 C ATOM 134 O4' DC A 5 -3.650 -3.585 5.238 1.00 0.77 O ATOM 135 C3' DC A 5 -3.426 -1.240 5.643 1.00 0.93 C ATOM 136 O3' DC A 5 -2.271 -0.674 5.006 1.00 0.93 O ATOM 137 C2' DC A 5 -4.511 -1.521 4.611 1.00 0.84 C ATOM 138 C1' DC A 5 -4.097 -2.881 4.099 1.00 0.69 C ATOM 139 N1 DC A 5 -5.176 -3.652 3.457 1.00 0.66 N ATOM 140 C2 DC A 5 -5.058 -3.953 2.091 1.00 0.52 C ATOM 141 O2 DC A 5 -4.031 -3.602 1.495 1.00 0.49 O ATOM 142 N3 DC A 5 -6.054 -4.637 1.467 1.00 0.53 N ATOM 143 C4 DC A 5 -7.136 -5.020 2.161 1.00 0.68 C ATOM 144 N4 DC A 5 -8.114 -5.645 1.506 1.00 0.74 N ATOM 145 C5 DC A 5 -7.276 -4.737 3.559 1.00 0.85 C ATOM 146 C6 DC A 5 -6.283 -4.056 4.161 1.00 0.83 C ATOM 0 H5' DC A 5 -3.321 -2.174 8.277 1.00 1.06 H new ATOM 0 H5'' DC A 5 -4.746 -2.881 7.543 1.00 1.06 H new ATOM 0 H4' DC A 5 -2.015 -2.717 6.322 1.00 0.87 H new ATOM 0 H3' DC A 5 -3.736 -0.534 6.413 1.00 0.93 H new ATOM 0 H2' DC A 5 -5.506 -1.536 5.056 1.00 0.84 H new ATOM 0 H2'' DC A 5 -4.527 -0.772 3.819 1.00 0.84 H new ATOM 0 H1' DC A 5 -3.343 -2.748 3.323 1.00 0.69 H new ATOM 0 H41 DC A 5 -8.950 -5.949 2.006 1.00 0.74 H new ATOM 0 H42 DC A 5 -8.027 -5.820 0.505 1.00 0.74 H new ATOM 0 H5 DC A 5 -8.147 -5.059 4.110 1.00 0.85 H new ATOM 0 H6 DC A 5 -6.358 -3.824 5.213 1.00 0.83 H new ATOM 158 P DG A 6 -1.301 0.313 5.818 1.00 1.04 P ATOM 159 OP1 DG A 6 0.086 0.134 5.325 1.00 1.47 O ATOM 160 OP2 DG A 6 -1.542 0.145 7.274 1.00 1.23 O ATOM 161 O5' DG A 6 -1.807 1.750 5.361 1.00 0.84 O ATOM 162 C5' DG A 6 -2.838 2.451 6.054 1.00 0.67 C ATOM 163 C4' DG A 6 -3.724 3.202 5.082 1.00 0.62 C ATOM 164 O4' DG A 6 -2.895 3.998 4.189 1.00 0.56 O ATOM 165 C3' DG A 6 -4.559 2.313 4.157 1.00 0.63 C ATOM 166 O3' DG A 6 -5.759 2.990 3.764 1.00 0.71 O ATOM 167 C2' DG A 6 -3.631 2.134 2.973 1.00 0.57 C ATOM 168 C1' DG A 6 -3.017 3.514 2.856 1.00 0.52 C ATOM 169 N9 DG A 6 -1.691 3.535 2.220 1.00 0.42 N ATOM 170 C8 DG A 6 -0.466 3.620 2.837 1.00 0.36 C ATOM 171 N7 DG A 6 0.534 3.628 1.996 1.00 0.31 N ATOM 172 C5 DG A 6 -0.066 3.540 0.751 1.00 0.33 C ATOM 173 C6 DG A 6 0.515 3.505 -0.550 1.00 0.31 C ATOM 174 O6 DG A 6 1.711 3.554 -0.849 1.00 0.29 O ATOM 175 N1 DG A 6 -0.460 3.409 -1.550 1.00 0.37 N ATOM 176 C2 DG A 6 -1.823 3.351 -1.313 1.00 0.45 C ATOM 177 N2 DG A 6 -2.615 3.252 -2.384 1.00 0.53 N ATOM 178 N3 DG A 6 -2.369 3.385 -0.103 1.00 0.47 N ATOM 179 C4 DG A 6 -1.440 3.479 0.876 1.00 0.40 C ATOM 0 H5' DG A 6 -2.395 3.150 6.764 1.00 0.67 H new ATOM 0 H5'' DG A 6 -3.438 1.747 6.631 1.00 0.67 H new ATOM 0 H4' DG A 6 -4.393 3.784 5.715 1.00 0.62 H new ATOM 0 H3' DG A 6 -4.880 1.375 4.610 1.00 0.63 H new ATOM 0 H2' DG A 6 -2.880 1.365 3.154 1.00 0.57 H new ATOM 0 H2'' DG A 6 -4.170 1.847 2.070 1.00 0.57 H new ATOM 0 H1' DG A 6 -3.656 4.125 2.218 1.00 0.52 H new ATOM 0 H8 DG A 6 -0.342 3.675 3.909 1.00 0.36 H new ATOM 0 H1 DG A 6 -0.145 3.380 -2.520 1.00 0.37 H new ATOM 0 H21 DG A 6 -3.627 3.206 -2.267 1.00 0.53 H new ATOM 0 H22 DG A 6 -2.208 3.223 -3.319 1.00 0.53 H new ATOM 191 P DG A 7 -6.979 2.151 3.146 1.00 0.78 P ATOM 192 OP1 DG A 7 -8.127 3.067 2.918 1.00 0.93 O ATOM 193 OP2 DG A 7 -7.215 0.956 3.995 1.00 1.05 O ATOM 194 O5' DG A 7 -6.398 1.679 1.733 1.00 0.64 O ATOM 195 C5' DG A 7 -6.681 2.391 0.530 1.00 0.50 C ATOM 196 C4' DG A 7 -6.708 1.454 -0.659 1.00 0.42 C ATOM 197 O4' DG A 7 -5.397 1.434 -1.278 1.00 0.49 O ATOM 198 C3' DG A 7 -7.038 -0.009 -0.322 1.00 0.41 C ATOM 199 O3' DG A 7 -7.928 -0.550 -1.301 1.00 0.42 O ATOM 200 C2' DG A 7 -5.681 -0.703 -0.377 1.00 0.43 C ATOM 201 C1' DG A 7 -4.952 0.099 -1.434 1.00 0.46 C ATOM 202 N9 DG A 7 -3.490 0.084 -1.311 1.00 0.45 N ATOM 203 C8 DG A 7 -2.755 0.101 -0.151 1.00 0.44 C ATOM 204 N7 DG A 7 -1.468 0.100 -0.360 1.00 0.42 N ATOM 205 C5 DG A 7 -1.341 0.077 -1.738 1.00 0.40 C ATOM 206 C6 DG A 7 -0.173 0.065 -2.556 1.00 0.38 C ATOM 207 O6 DG A 7 1.009 0.080 -2.193 1.00 0.38 O ATOM 208 N1 DG A 7 -0.494 0.038 -3.920 1.00 0.38 N ATOM 209 C2 DG A 7 -1.787 0.025 -4.421 1.00 0.42 C ATOM 210 N2 DG A 7 -1.925 -0.006 -5.755 1.00 0.44 N ATOM 211 N3 DG A 7 -2.878 0.039 -3.661 1.00 0.44 N ATOM 212 C4 DG A 7 -2.585 0.064 -2.340 1.00 0.43 C ATOM 0 H5' DG A 7 -5.927 3.162 0.373 1.00 0.50 H new ATOM 0 H5'' DG A 7 -7.642 2.898 0.620 1.00 0.50 H new ATOM 0 H4' DG A 7 -7.497 1.841 -1.304 1.00 0.42 H new ATOM 0 H3' DG A 7 -7.532 -0.130 0.642 1.00 0.41 H new ATOM 0 H2' DG A 7 -5.168 -0.670 0.584 1.00 0.43 H new ATOM 0 H2'' DG A 7 -5.772 -1.753 -0.654 1.00 0.43 H new ATOM 0 H1' DG A 7 -5.171 -0.340 -2.407 1.00 0.46 H new ATOM 0 H8 DG A 7 -3.198 0.114 0.834 1.00 0.44 H new ATOM 0 H1 DG A 7 0.275 0.027 -4.589 1.00 0.38 H new ATOM 0 H21 DG A 7 -2.856 -0.017 -6.171 1.00 0.44 H new ATOM 0 H22 DG A 7 -1.099 -0.019 -6.353 1.00 0.44 H new ATOM 224 P DG A 8 -8.499 -2.033 -1.112 1.00 0.49 P ATOM 225 OP1 DG A 8 -9.943 -2.042 -1.452 1.00 0.54 O ATOM 226 OP2 DG A 8 -8.107 -2.534 0.229 1.00 0.61 O ATOM 227 O5' DG A 8 -7.697 -2.848 -2.223 1.00 0.56 O ATOM 228 C5' DG A 8 -8.007 -2.706 -3.605 1.00 0.51 C ATOM 229 C4' DG A 8 -7.102 -3.569 -4.455 1.00 0.55 C ATOM 230 O4' DG A 8 -5.825 -2.928 -4.618 1.00 0.59 O ATOM 231 C3' DG A 8 -6.742 -4.921 -3.864 1.00 0.59 C ATOM 232 O3' DG A 8 -7.777 -5.876 -4.133 1.00 0.63 O ATOM 233 C2' DG A 8 -5.462 -5.273 -4.619 1.00 0.61 C ATOM 234 C1' DG A 8 -4.847 -3.901 -4.955 1.00 0.60 C ATOM 235 N9 DG A 8 -3.607 -3.594 -4.218 1.00 0.59 N ATOM 236 C8 DG A 8 -3.476 -3.364 -2.867 1.00 0.62 C ATOM 237 N7 DG A 8 -2.244 -3.156 -2.502 1.00 0.60 N ATOM 238 C5 DG A 8 -1.512 -3.243 -3.667 1.00 0.55 C ATOM 239 C6 DG A 8 -0.110 -3.103 -3.877 1.00 0.52 C ATOM 240 O6 DG A 8 0.765 -2.888 -3.030 1.00 0.53 O ATOM 241 N1 DG A 8 0.233 -3.257 -5.223 1.00 0.50 N ATOM 242 C2 DG A 8 -0.670 -3.515 -6.239 1.00 0.50 C ATOM 243 N2 DG A 8 -0.164 -3.609 -7.479 1.00 0.50 N ATOM 244 N3 DG A 8 -1.985 -3.655 -6.049 1.00 0.53 N ATOM 245 C4 DG A 8 -2.336 -3.507 -4.746 1.00 0.55 C ATOM 0 H5' DG A 8 -7.901 -1.662 -3.900 1.00 0.51 H new ATOM 0 H5'' DG A 8 -9.047 -2.983 -3.778 1.00 0.51 H new ATOM 0 H4' DG A 8 -7.677 -3.707 -5.371 1.00 0.55 H new ATOM 0 H3' DG A 8 -6.620 -4.915 -2.781 1.00 0.59 H new ATOM 0 H2' DG A 8 -4.789 -5.875 -4.008 1.00 0.61 H new ATOM 0 H2'' DG A 8 -5.674 -5.848 -5.520 1.00 0.61 H new ATOM 0 H1' DG A 8 -4.574 -3.904 -6.010 1.00 0.60 H new ATOM 0 H8 DG A 8 -4.310 -3.357 -2.181 1.00 0.62 H new ATOM 0 H1 DG A 8 1.218 -3.173 -5.474 1.00 0.50 H new ATOM 0 H21 DG A 8 -0.781 -3.798 -8.269 1.00 0.50 H new ATOM 0 H22 DG A 8 0.838 -3.491 -7.631 1.00 0.50 H new ATOM 257 P DC A 9 -8.407 -6.760 -2.945 1.00 0.72 P ATOM 258 OP1 DC A 9 -7.938 -6.251 -1.629 1.00 0.77 O ATOM 259 OP2 DC A 9 -8.173 -8.195 -3.248 1.00 0.93 O ATOM 260 O5' DC A 9 -9.969 -6.454 -3.080 1.00 0.67 O ATOM 261 C5' DC A 9 -10.506 -5.166 -2.788 1.00 0.67 C ATOM 262 C4' DC A 9 -11.668 -5.272 -1.827 1.00 0.57 C ATOM 263 O4' DC A 9 -11.171 -5.373 -0.481 1.00 0.64 O ATOM 264 C3' DC A 9 -12.610 -4.055 -1.816 1.00 0.46 C ATOM 265 O3' DC A 9 -13.857 -4.404 -2.424 1.00 0.58 O ATOM 266 C2' DC A 9 -12.806 -3.715 -0.329 1.00 0.45 C ATOM 267 C1' DC A 9 -12.159 -4.889 0.396 1.00 0.50 C ATOM 268 N1 DC A 9 -11.521 -4.555 1.686 1.00 0.52 N ATOM 269 C2 DC A 9 -11.837 -5.334 2.815 1.00 0.58 C ATOM 270 O2 DC A 9 -12.633 -6.280 2.688 1.00 0.72 O ATOM 271 N3 DC A 9 -11.265 -5.036 4.013 1.00 0.64 N ATOM 272 C4 DC A 9 -10.408 -4.008 4.115 1.00 0.68 C ATOM 273 N4 DC A 9 -9.889 -3.743 5.315 1.00 0.80 N ATOM 274 C5 DC A 9 -10.061 -3.197 2.985 1.00 0.73 C ATOM 275 C6 DC A 9 -10.638 -3.502 1.800 1.00 0.63 C ATOM 0 H5' DC A 9 -10.834 -4.687 -3.710 1.00 0.67 H new ATOM 0 H5'' DC A 9 -9.730 -4.533 -2.358 1.00 0.67 H new ATOM 0 H4' DC A 9 -12.223 -6.146 -2.167 1.00 0.57 H new ATOM 0 H3' DC A 9 -12.207 -3.209 -2.372 1.00 0.46 H new ATOM 0 H2' DC A 9 -12.329 -2.770 -0.068 1.00 0.45 H new ATOM 0 H2'' DC A 9 -13.862 -3.620 -0.075 1.00 0.45 H new ATOM 0 H1' DC A 9 -12.940 -5.607 0.645 1.00 0.50 H new ATOM 0 H41 DC A 9 -9.234 -2.969 5.428 1.00 0.80 H new ATOM 0 H42 DC A 9 -10.147 -4.315 6.120 1.00 0.80 H new ATOM 0 H5 DC A 9 -9.366 -2.375 3.076 1.00 0.73 H new ATOM 0 H6 DC A 9 -10.403 -2.910 0.928 1.00 0.63 H new ATOM 287 P DG A 10 -14.759 -3.265 -3.103 1.00 0.64 P ATOM 288 OP1 DG A 10 -15.324 -2.395 -2.040 1.00 0.89 O ATOM 289 OP2 DG A 10 -15.715 -3.914 -4.035 1.00 0.92 O ATOM 290 O5' DG A 10 -13.695 -2.428 -3.949 1.00 0.60 O ATOM 291 C5' DG A 10 -14.081 -1.704 -5.116 1.00 0.73 C ATOM 292 C4' DG A 10 -13.103 -0.586 -5.423 1.00 0.67 C ATOM 293 O4' DG A 10 -13.088 0.355 -4.320 1.00 0.59 O ATOM 294 C3' DG A 10 -11.651 -1.033 -5.619 1.00 0.64 C ATOM 295 O3' DG A 10 -11.034 -0.280 -6.669 1.00 0.70 O ATOM 296 C2' DG A 10 -10.995 -0.722 -4.285 1.00 0.56 C ATOM 297 C1' DG A 10 -11.777 0.487 -3.788 1.00 0.51 C ATOM 298 N9 DG A 10 -11.878 0.564 -2.322 1.00 0.51 N ATOM 299 C8 DG A 10 -12.621 -0.259 -1.508 1.00 0.59 C ATOM 300 N7 DG A 10 -12.514 0.031 -0.243 1.00 0.65 N ATOM 301 C5 DG A 10 -11.648 1.113 -0.208 1.00 0.62 C ATOM 302 C6 DG A 10 -11.154 1.863 0.902 1.00 0.72 C ATOM 303 O6 DG A 10 -11.396 1.707 2.104 1.00 0.84 O ATOM 304 N1 DG A 10 -10.293 2.883 0.496 1.00 0.74 N ATOM 305 C2 DG A 10 -9.950 3.154 -0.813 1.00 0.66 C ATOM 306 N2 DG A 10 -9.112 4.187 -0.991 1.00 0.74 N ATOM 307 N3 DG A 10 -10.403 2.462 -1.862 1.00 0.56 N ATOM 308 C4 DG A 10 -11.244 1.459 -1.489 1.00 0.54 C ATOM 0 H5' DG A 10 -15.079 -1.288 -4.974 1.00 0.73 H new ATOM 0 H5'' DG A 10 -14.137 -2.384 -5.966 1.00 0.73 H new ATOM 0 H4' DG A 10 -13.455 -0.159 -6.362 1.00 0.67 H new ATOM 0 H3' DG A 10 -11.564 -2.083 -5.899 1.00 0.64 H new ATOM 0 H2' DG A 10 -11.069 -1.562 -3.594 1.00 0.56 H new ATOM 0 H2'' DG A 10 -9.935 -0.497 -4.400 1.00 0.56 H new ATOM 0 H1' DG A 10 -11.259 1.391 -4.108 1.00 0.51 H new ATOM 0 H8 DG A 10 -13.233 -1.067 -1.881 1.00 0.59 H new ATOM 0 H1 DG A 10 -9.886 3.473 1.222 1.00 0.74 H new ATOM 0 H21 DG A 10 -8.814 4.446 -1.932 1.00 0.74 H new ATOM 0 H22 DG A 10 -8.773 4.713 -0.186 1.00 0.74 H new ATOM 320 P DC A 11 -10.817 -0.962 -8.102 1.00 0.92 P ATOM 321 OP1 DC A 11 -12.016 -1.774 -8.439 1.00 1.08 O ATOM 322 OP2 DC A 11 -9.502 -1.646 -8.112 1.00 1.03 O ATOM 323 O5' DC A 11 -10.758 0.299 -9.076 1.00 1.10 O ATOM 324 C5' DC A 11 -11.945 0.864 -9.617 1.00 1.27 C ATOM 325 C4' DC A 11 -11.702 2.281 -10.082 1.00 1.29 C ATOM 326 O4' DC A 11 -12.954 2.837 -10.565 1.00 1.47 O ATOM 327 C3' DC A 11 -11.234 3.248 -8.993 1.00 1.00 C ATOM 328 O3' DC A 11 -10.466 4.310 -9.576 1.00 0.98 O ATOM 329 C2' DC A 11 -12.552 3.760 -8.440 1.00 1.10 C ATOM 330 C1' DC A 11 -13.395 3.879 -9.701 1.00 1.38 C ATOM 331 N1 DC A 11 -14.847 3.731 -9.488 1.00 1.58 N ATOM 332 C2 DC A 11 -15.694 4.809 -9.809 1.00 1.74 C ATOM 333 O2 DC A 11 -15.194 5.852 -10.261 1.00 1.70 O ATOM 334 N3 DC A 11 -17.036 4.683 -9.616 1.00 1.97 N ATOM 335 C4 DC A 11 -17.540 3.540 -9.125 1.00 2.06 C ATOM 336 N4 DC A 11 -18.861 3.462 -8.953 1.00 2.32 N ATOM 337 C5 DC A 11 -16.703 2.427 -8.790 1.00 1.93 C ATOM 338 C6 DC A 11 -15.376 2.564 -8.986 1.00 1.71 C ATOM 0 H5' DC A 11 -12.734 0.854 -8.865 1.00 1.27 H new ATOM 0 H5'' DC A 11 -12.294 0.257 -10.453 1.00 1.27 H new ATOM 0 H4' DC A 11 -10.917 2.197 -10.834 1.00 1.29 H new ATOM 0 H3' DC A 11 -10.592 2.800 -8.235 1.00 1.00 H new ATOM 0 H2' DC A 11 -12.989 3.068 -7.720 1.00 1.10 H new ATOM 0 H2'' DC A 11 -12.438 4.718 -7.933 1.00 1.10 H new ATOM 0 H1' DC A 11 -13.262 4.883 -10.105 1.00 1.38 H new ATOM 0 H41 DC A 11 -19.277 2.608 -8.582 1.00 2.32 H new ATOM 0 H42 DC A 11 -19.454 4.256 -9.193 1.00 2.32 H new ATOM 0 H5 DC A 11 -17.119 1.512 -8.395 1.00 1.93 H new ATOM 0 H6 DC A 11 -14.717 1.743 -8.745 1.00 1.71 H new ATOM 350 P DT A 12 -9.745 5.394 -8.639 1.00 0.86 P ATOM 351 OP1 DT A 12 -10.682 6.523 -8.396 1.00 1.06 O ATOM 352 OP2 DT A 12 -8.421 5.720 -9.227 1.00 0.83 O ATOM 353 O5' DT A 12 -9.521 4.597 -7.275 1.00 0.70 O ATOM 354 C5' DT A 12 -10.175 4.977 -6.065 1.00 0.79 C ATOM 355 C4' DT A 12 -9.365 4.559 -4.858 1.00 0.66 C ATOM 356 O4' DT A 12 -9.127 3.125 -4.918 1.00 0.49 O ATOM 357 C3' DT A 12 -7.979 5.212 -4.759 1.00 0.64 C ATOM 358 O3' DT A 12 -7.655 5.506 -3.391 1.00 0.79 O ATOM 359 C2' DT A 12 -7.053 4.139 -5.312 1.00 0.53 C ATOM 360 C1' DT A 12 -7.735 2.858 -4.878 1.00 0.42 C ATOM 361 N1 DT A 12 -7.448 1.709 -5.750 1.00 0.38 N ATOM 362 C2 DT A 12 -7.006 0.539 -5.162 1.00 0.48 C ATOM 363 O2 DT A 12 -6.866 0.411 -3.958 1.00 0.57 O ATOM 364 N3 DT A 12 -6.733 -0.484 -6.041 1.00 0.63 N ATOM 365 C4 DT A 12 -6.855 -0.451 -7.423 1.00 0.70 C ATOM 366 O4 DT A 12 -6.566 -1.444 -8.086 1.00 0.88 O ATOM 367 C5 DT A 12 -7.328 0.810 -7.975 1.00 0.62 C ATOM 368 C7 DT A 12 -7.485 0.943 -9.459 1.00 0.80 C ATOM 369 C6 DT A 12 -7.602 1.819 -7.124 1.00 0.48 C ATOM 0 H5' DT A 12 -11.163 4.518 -6.021 1.00 0.79 H new ATOM 0 H5'' DT A 12 -10.324 6.057 -6.051 1.00 0.79 H new ATOM 0 H4' DT A 12 -9.955 4.874 -3.997 1.00 0.66 H new ATOM 0 H3' DT A 12 -7.909 6.158 -5.295 1.00 0.64 H new ATOM 0 H2' DT A 12 -6.961 4.202 -6.396 1.00 0.53 H new ATOM 0 H2'' DT A 12 -6.047 4.221 -4.902 1.00 0.53 H new ATOM 0 H1' DT A 12 -7.369 2.583 -3.889 1.00 0.42 H new ATOM 0 H3 DT A 12 -6.406 -1.360 -5.633 1.00 0.63 H new ATOM 0 H71 DT A 12 -6.759 0.303 -9.960 1.00 0.80 H new ATOM 0 H72 DT A 12 -8.493 0.644 -9.747 1.00 0.80 H new ATOM 0 H73 DT A 12 -7.317 1.980 -9.751 1.00 0.80 H new ATOM 0 H6 DT A 12 -7.957 2.755 -7.530 1.00 0.48 H new ATOM 382 P DA A 13 -7.554 7.036 -2.889 1.00 0.98 P ATOM 383 OP1 DA A 13 -8.098 7.125 -1.510 1.00 1.22 O ATOM 384 OP2 DA A 13 -8.156 7.922 -3.917 1.00 1.06 O ATOM 385 O5' DA A 13 -5.975 7.299 -2.834 1.00 0.96 O ATOM 386 C5' DA A 13 -5.087 6.642 -3.730 1.00 0.89 C ATOM 387 C4' DA A 13 -4.684 7.548 -4.872 1.00 0.82 C ATOM 388 O4' DA A 13 -3.369 8.100 -4.584 1.00 0.82 O ATOM 389 C3' DA A 13 -4.502 6.834 -6.212 1.00 0.75 C ATOM 390 O3' DA A 13 -4.605 7.776 -7.288 1.00 0.75 O ATOM 391 C2' DA A 13 -3.094 6.290 -6.059 1.00 0.73 C ATOM 392 C1' DA A 13 -2.389 7.470 -5.412 1.00 0.76 C ATOM 393 N9 DA A 13 -1.227 7.109 -4.580 1.00 0.80 N ATOM 394 C8 DA A 13 -1.218 6.653 -3.283 1.00 0.94 C ATOM 395 N7 DA A 13 -0.014 6.425 -2.808 1.00 0.96 N ATOM 396 C5 DA A 13 0.829 6.751 -3.865 1.00 0.83 C ATOM 397 C6 DA A 13 2.241 6.733 -4.011 1.00 0.82 C ATOM 398 N6 DA A 13 3.090 6.393 -3.036 1.00 0.91 N ATOM 399 N1 DA A 13 2.759 7.122 -5.204 1.00 0.73 N ATOM 400 C2 DA A 13 1.913 7.503 -6.179 1.00 0.64 C ATOM 401 N3 DA A 13 0.576 7.566 -6.163 1.00 0.63 N ATOM 402 C4 DA A 13 0.089 7.173 -4.964 1.00 0.73 C ATOM 0 H5' DA A 13 -5.565 5.746 -4.126 1.00 0.89 H new ATOM 0 H5'' DA A 13 -4.198 6.317 -3.190 1.00 0.89 H new ATOM 0 H4' DA A 13 -5.489 8.279 -4.954 1.00 0.82 H new ATOM 0 H3' DA A 13 -5.242 6.066 -6.439 1.00 0.75 H new ATOM 0 H2' DA A 13 -3.063 5.399 -5.432 1.00 0.73 H new ATOM 0 H2'' DA A 13 -2.651 6.021 -7.018 1.00 0.73 H new ATOM 0 H1' DA A 13 -1.992 8.108 -6.201 1.00 0.76 H new ATOM 0 H8 DA A 13 -2.118 6.496 -2.707 1.00 0.94 H new ATOM 0 H61 DA A 13 4.095 6.402 -3.209 1.00 0.91 H new ATOM 0 H62 DA A 13 2.733 6.125 -2.119 1.00 0.91 H new ATOM 0 H2 DA A 13 2.379 7.800 -7.107 1.00 0.64 H new ATOM 414 P DG A 14 -4.070 7.421 -8.762 1.00 0.70 P ATOM 415 OP1 DG A 14 -2.601 7.645 -8.814 1.00 0.79 O ATOM 416 OP2 DG A 14 -4.899 8.163 -9.744 1.00 0.74 O ATOM 417 O5' DG A 14 -4.358 5.852 -8.929 1.00 0.60 O ATOM 418 C5' DG A 14 -4.280 5.250 -10.226 1.00 0.56 C ATOM 419 C4' DG A 14 -3.299 4.087 -10.293 1.00 0.47 C ATOM 420 O4' DG A 14 -2.286 4.185 -9.232 1.00 0.45 O ATOM 421 C3' DG A 14 -3.898 2.670 -10.102 1.00 0.44 C ATOM 422 O3' DG A 14 -3.136 1.754 -10.888 1.00 0.50 O ATOM 423 C2' DG A 14 -3.607 2.397 -8.646 1.00 0.45 C ATOM 424 C1' DG A 14 -2.205 2.922 -8.600 1.00 0.42 C ATOM 425 N9 DG A 14 -1.602 3.077 -7.276 1.00 0.42 N ATOM 426 C8 DG A 14 -2.227 3.065 -6.054 1.00 0.50 C ATOM 427 N7 DG A 14 -1.398 3.192 -5.057 1.00 0.48 N ATOM 428 C5 DG A 14 -0.154 3.291 -5.651 1.00 0.41 C ATOM 429 C6 DG A 14 1.139 3.435 -5.069 1.00 0.39 C ATOM 430 O6 DG A 14 1.431 3.510 -3.870 1.00 0.43 O ATOM 431 N1 DG A 14 2.143 3.487 -6.045 1.00 0.36 N ATOM 432 C2 DG A 14 1.915 3.412 -7.409 1.00 0.33 C ATOM 433 N2 DG A 14 2.988 3.455 -8.210 1.00 0.34 N ATOM 434 N3 DG A 14 0.712 3.281 -7.952 1.00 0.32 N ATOM 435 C4 DG A 14 -0.267 3.226 -7.023 1.00 0.37 C ATOM 0 H5' DG A 14 -3.985 6.007 -10.953 1.00 0.56 H new ATOM 0 H5'' DG A 14 -5.270 4.898 -10.516 1.00 0.56 H new ATOM 0 H4' DG A 14 -2.910 4.183 -11.307 1.00 0.47 H new ATOM 0 H3' DG A 14 -4.949 2.584 -10.376 1.00 0.44 H new ATOM 0 H2' DG A 14 -4.280 2.928 -7.973 1.00 0.45 H new ATOM 0 H2'' DG A 14 -3.672 1.339 -8.392 1.00 0.45 H new ATOM 0 H1' DG A 14 -1.552 2.193 -9.080 1.00 0.42 H new ATOM 0 H8 DG A 14 -3.295 2.961 -5.932 1.00 0.50 H new ATOM 0 H1 DG A 14 3.108 3.587 -5.729 1.00 0.36 H new ATOM 0 H21 DG A 14 2.871 3.403 -9.222 1.00 0.34 H new ATOM 0 H22 DG A 14 3.922 3.540 -7.808 1.00 0.34 H new ATOM 447 P DG A 15 -3.791 0.801 -11.981 1.00 0.58 P ATOM 448 OP1 DG A 15 -4.641 1.601 -12.901 1.00 0.96 O ATOM 449 OP2 DG A 15 -4.413 -0.365 -11.304 1.00 1.12 O ATOM 450 O5' DG A 15 -2.481 0.321 -12.762 1.00 0.57 O ATOM 451 C5' DG A 15 -1.686 1.245 -13.509 1.00 0.60 C ATOM 452 C4' DG A 15 -0.202 1.060 -13.252 1.00 0.45 C ATOM 453 O4' DG A 15 0.097 1.260 -11.840 1.00 0.37 O ATOM 454 C3' DG A 15 0.359 -0.328 -13.608 1.00 0.44 C ATOM 455 O3' DG A 15 1.555 -0.165 -14.393 1.00 0.48 O ATOM 456 C2' DG A 15 0.683 -0.938 -12.232 1.00 0.38 C ATOM 457 C1' DG A 15 1.075 0.324 -11.440 1.00 0.32 C ATOM 458 N9 DG A 15 1.020 0.187 -9.970 1.00 0.32 N ATOM 459 C8 DG A 15 -0.105 0.054 -9.189 1.00 0.38 C ATOM 460 N7 DG A 15 0.159 -0.019 -7.915 1.00 0.40 N ATOM 461 C5 DG A 15 1.535 0.069 -7.837 1.00 0.34 C ATOM 462 C6 DG A 15 2.392 0.047 -6.696 1.00 0.33 C ATOM 463 O6 DG A 15 2.071 -0.048 -5.509 1.00 0.37 O ATOM 464 N1 DG A 15 3.737 0.162 -7.053 1.00 0.30 N ATOM 465 C2 DG A 15 4.193 0.283 -8.355 1.00 0.31 C ATOM 466 N2 DG A 15 5.518 0.369 -8.515 1.00 0.37 N ATOM 467 N3 DG A 15 3.398 0.308 -9.426 1.00 0.30 N ATOM 468 C4 DG A 15 2.089 0.196 -9.098 1.00 0.30 C ATOM 0 H5' DG A 15 -1.974 2.263 -13.249 1.00 0.60 H new ATOM 0 H5'' DG A 15 -1.888 1.119 -14.573 1.00 0.60 H new ATOM 0 H4' DG A 15 0.266 1.797 -13.904 1.00 0.45 H new ATOM 0 H3' DG A 15 -0.321 -0.950 -14.191 1.00 0.44 H new ATOM 0 H2' DG A 15 -0.174 -1.450 -11.795 1.00 0.38 H new ATOM 0 H2'' DG A 15 1.495 -1.663 -12.283 1.00 0.38 H new ATOM 0 H1' DG A 15 2.112 0.586 -11.648 1.00 0.32 H new ATOM 0 H8 DG A 15 -1.106 0.014 -9.592 1.00 0.38 H new ATOM 0 H1 DG A 15 4.430 0.157 -6.305 1.00 0.30 H new ATOM 0 H21 DG A 15 5.914 0.460 -9.451 1.00 0.37 H new ATOM 0 H22 DG A 15 6.133 0.344 -7.701 1.00 0.37 H new ATOM 480 P DG A 16 2.329 -1.442 -14.993 1.00 0.64 P ATOM 481 OP1 DG A 16 3.059 -1.030 -16.220 1.00 0.81 O ATOM 482 OP2 DG A 16 1.377 -2.576 -15.106 1.00 0.83 O ATOM 483 O5' DG A 16 3.388 -1.761 -13.846 1.00 0.54 O ATOM 484 C5' DG A 16 4.269 -0.756 -13.357 1.00 0.40 C ATOM 485 C4' DG A 16 5.403 -1.371 -12.571 1.00 0.30 C ATOM 486 O4' DG A 16 5.030 -1.443 -11.182 1.00 0.43 O ATOM 487 C3' DG A 16 5.802 -2.800 -12.975 1.00 0.41 C ATOM 488 O3' DG A 16 7.238 -2.948 -12.984 1.00 0.58 O ATOM 489 C2' DG A 16 5.201 -3.630 -11.860 1.00 0.42 C ATOM 490 C1' DG A 16 5.391 -2.699 -10.678 1.00 0.42 C ATOM 491 N9 DG A 16 4.567 -2.961 -9.493 1.00 0.44 N ATOM 492 C8 DG A 16 3.196 -3.087 -9.417 1.00 0.46 C ATOM 493 N7 DG A 16 2.763 -3.218 -8.187 1.00 0.48 N ATOM 494 C5 DG A 16 3.916 -3.174 -7.413 1.00 0.47 C ATOM 495 C6 DG A 16 4.090 -3.256 -5.998 1.00 0.50 C ATOM 496 O6 DG A 16 3.223 -3.385 -5.130 1.00 0.53 O ATOM 497 N1 DG A 16 5.441 -3.163 -5.634 1.00 0.52 N ATOM 498 C2 DG A 16 6.485 -3.012 -6.528 1.00 0.50 C ATOM 499 N2 DG A 16 7.721 -2.939 -6.017 1.00 0.53 N ATOM 500 N3 DG A 16 6.329 -2.935 -7.841 1.00 0.46 N ATOM 501 C4 DG A 16 5.032 -3.020 -8.211 1.00 0.45 C ATOM 0 H5' DG A 16 3.718 -0.060 -12.725 1.00 0.40 H new ATOM 0 H5'' DG A 16 4.669 -0.180 -14.191 1.00 0.40 H new ATOM 0 H4' DG A 16 6.254 -0.722 -12.777 1.00 0.30 H new ATOM 0 H3' DG A 16 5.462 -3.080 -13.972 1.00 0.41 H new ATOM 0 H2' DG A 16 4.151 -3.863 -12.038 1.00 0.42 H new ATOM 0 H2'' DG A 16 5.720 -4.579 -11.726 1.00 0.42 H new ATOM 0 H1' DG A 16 6.414 -2.812 -10.319 1.00 0.42 H new ATOM 0 H8 DG A 16 2.547 -3.079 -10.280 1.00 0.46 H new ATOM 0 H1 DG A 16 5.669 -3.210 -4.641 1.00 0.52 H new ATOM 0 H21 DG A 16 8.523 -2.828 -6.637 1.00 0.53 H new ATOM 0 H22 DG A 16 7.860 -2.995 -5.008 1.00 0.53 H new ATOM 513 P DA A 17 8.136 -2.230 -14.116 1.00 0.73 P ATOM 514 OP1 DA A 17 7.552 -2.518 -15.451 1.00 0.81 O ATOM 515 OP2 DA A 17 9.560 -2.591 -13.896 1.00 1.01 O ATOM 516 O5' DA A 17 7.924 -0.684 -13.782 1.00 0.75 O ATOM 517 C5' DA A 17 9.001 0.203 -13.492 1.00 0.88 C ATOM 518 C4' DA A 17 8.718 1.569 -14.083 1.00 0.93 C ATOM 519 O4' DA A 17 8.964 1.526 -15.520 1.00 1.22 O ATOM 520 C3' DA A 17 7.260 2.042 -13.939 1.00 0.80 C ATOM 521 O3' DA A 17 7.211 3.473 -13.784 1.00 0.95 O ATOM 522 C2' DA A 17 6.657 1.645 -15.270 1.00 1.06 C ATOM 523 C1' DA A 17 7.801 1.949 -16.212 1.00 1.35 C ATOM 524 N9 DA A 17 7.725 1.277 -17.529 1.00 1.72 N ATOM 525 C8 DA A 17 8.018 -0.039 -17.864 1.00 1.81 C ATOM 526 N7 DA A 17 7.821 -0.312 -19.130 1.00 2.22 N ATOM 527 C5 DA A 17 7.373 0.885 -19.670 1.00 2.49 C ATOM 528 C6 DA A 17 6.989 1.254 -20.981 1.00 3.07 C ATOM 529 N6 DA A 17 6.994 0.413 -22.018 1.00 3.38 N ATOM 530 N1 DA A 17 6.590 2.537 -21.190 1.00 3.39 N ATOM 531 C2 DA A 17 6.581 3.384 -20.142 1.00 3.15 C ATOM 532 N3 DA A 17 6.919 3.154 -18.867 1.00 2.57 N ATOM 533 C4 DA A 17 7.310 1.871 -18.695 1.00 2.24 C ATOM 0 H5' DA A 17 9.930 -0.194 -13.900 1.00 0.88 H new ATOM 0 H5'' DA A 17 9.136 0.285 -12.413 1.00 0.88 H new ATOM 0 H4' DA A 17 9.366 2.252 -13.534 1.00 0.93 H new ATOM 0 H3' DA A 17 6.746 1.619 -13.076 1.00 0.80 H new ATOM 0 H2' DA A 17 6.371 0.593 -15.295 1.00 1.06 H new ATOM 0 H2'' DA A 17 5.764 2.224 -15.506 1.00 1.06 H new ATOM 0 H1' DA A 17 7.787 3.011 -16.458 1.00 1.35 H new ATOM 0 H8 DA A 17 8.374 -0.767 -17.150 1.00 1.81 H new ATOM 0 H61 DA A 17 6.706 0.739 -22.940 1.00 3.38 H new ATOM 0 H62 DA A 17 7.286 -0.556 -21.888 1.00 3.38 H new ATOM 0 H2 DA A 17 6.255 4.390 -20.361 1.00 3.15 H new ATOM 545 P DG A 18 6.598 4.138 -12.453 1.00 0.73 P ATOM 546 OP1 DG A 18 5.476 3.299 -11.961 1.00 0.75 O ATOM 547 OP2 DG A 18 6.317 5.571 -12.724 1.00 1.08 O ATOM 548 O5' DG A 18 7.815 4.030 -11.431 1.00 0.62 O ATOM 549 C5' DG A 18 9.003 4.800 -11.601 1.00 0.53 C ATOM 550 C4' DG A 18 10.013 4.474 -10.517 1.00 0.55 C ATOM 551 O4' DG A 18 9.408 4.718 -9.217 1.00 0.55 O ATOM 552 C3' DG A 18 10.504 3.021 -10.484 1.00 0.60 C ATOM 553 O3' DG A 18 11.887 2.977 -10.088 1.00 0.72 O ATOM 554 C2' DG A 18 9.621 2.375 -9.421 1.00 0.57 C ATOM 555 C1' DG A 18 9.369 3.522 -8.446 1.00 0.55 C ATOM 556 N9 DG A 18 8.064 3.462 -7.745 1.00 0.48 N ATOM 557 C8 DG A 18 6.806 3.376 -8.313 1.00 0.44 C ATOM 558 N7 DG A 18 5.843 3.397 -7.438 1.00 0.39 N ATOM 559 C5 DG A 18 6.481 3.492 -6.220 1.00 0.38 C ATOM 560 C6 DG A 18 5.932 3.549 -4.907 1.00 0.35 C ATOM 561 O6 DG A 18 4.742 3.533 -4.581 1.00 0.34 O ATOM 562 N1 DG A 18 6.927 3.636 -3.933 1.00 0.37 N ATOM 563 C2 DG A 18 8.283 3.664 -4.196 1.00 0.43 C ATOM 564 N2 DG A 18 9.087 3.715 -3.128 1.00 0.47 N ATOM 565 N3 DG A 18 8.808 3.619 -5.422 1.00 0.47 N ATOM 566 C4 DG A 18 7.855 3.532 -6.383 1.00 0.44 C ATOM 0 H5' DG A 18 8.761 5.862 -11.572 1.00 0.53 H new ATOM 0 H5'' DG A 18 9.436 4.598 -12.581 1.00 0.53 H new ATOM 0 H4' DG A 18 10.870 5.109 -10.743 1.00 0.55 H new ATOM 0 H3' DG A 18 10.441 2.520 -11.450 1.00 0.60 H new ATOM 0 H2' DG A 18 8.692 1.993 -9.845 1.00 0.57 H new ATOM 0 H2'' DG A 18 10.120 1.535 -8.937 1.00 0.57 H new ATOM 0 H1' DG A 18 10.128 3.469 -7.665 1.00 0.55 H new ATOM 0 H8 DG A 18 6.639 3.299 -9.377 1.00 0.44 H new ATOM 0 H1 DG A 18 6.632 3.682 -2.958 1.00 0.37 H new ATOM 0 H21 DG A 18 10.099 3.738 -3.252 1.00 0.47 H new ATOM 0 H22 DG A 18 8.688 3.731 -2.189 1.00 0.47 H new ATOM 578 P DG A 19 12.666 1.567 -10.006 1.00 0.84 P ATOM 579 OP1 DG A 19 14.116 1.802 -10.229 1.00 1.05 O ATOM 580 OP2 DG A 19 11.985 0.586 -10.890 1.00 0.91 O ATOM 581 O5' DG A 19 12.437 1.143 -8.486 1.00 0.77 O ATOM 582 C5' DG A 19 12.922 1.953 -7.421 1.00 0.79 C ATOM 583 C4' DG A 19 12.619 1.325 -6.078 1.00 0.72 C ATOM 584 O4' DG A 19 11.219 1.514 -5.752 1.00 0.65 O ATOM 585 C3' DG A 19 12.863 -0.192 -5.996 1.00 0.71 C ATOM 586 O3' DG A 19 13.687 -0.478 -4.853 1.00 0.78 O ATOM 587 C2' DG A 19 11.455 -0.775 -5.820 1.00 0.64 C ATOM 588 C1' DG A 19 10.739 0.353 -5.116 1.00 0.59 C ATOM 589 N9 DG A 19 9.273 0.310 -5.212 1.00 0.52 N ATOM 590 C8 DG A 19 8.508 0.252 -6.353 1.00 0.52 C ATOM 591 N7 DG A 19 7.231 0.229 -6.111 1.00 0.46 N ATOM 592 C5 DG A 19 7.137 0.272 -4.736 1.00 0.43 C ATOM 593 C6 DG A 19 5.989 0.270 -3.896 1.00 0.37 C ATOM 594 O6 DG A 19 4.799 0.230 -4.239 1.00 0.35 O ATOM 595 N1 DG A 19 6.338 0.322 -2.539 1.00 0.36 N ATOM 596 C2 DG A 19 7.641 0.369 -2.064 1.00 0.40 C ATOM 597 N2 DG A 19 7.808 0.406 -0.733 1.00 0.39 N ATOM 598 N3 DG A 19 8.715 0.372 -2.849 1.00 0.45 N ATOM 599 C4 DG A 19 8.392 0.322 -4.162 1.00 0.46 C ATOM 0 H5' DG A 19 12.466 2.942 -7.475 1.00 0.79 H new ATOM 0 H5'' DG A 19 13.998 2.092 -7.527 1.00 0.79 H new ATOM 0 H4' DG A 19 13.304 1.822 -5.391 1.00 0.72 H new ATOM 0 H3' DG A 19 13.374 -0.605 -6.866 1.00 0.71 H new ATOM 0 H2' DG A 19 10.992 -1.020 -6.776 1.00 0.64 H new ATOM 0 H2'' DG A 19 11.462 -1.689 -5.226 1.00 0.64 H new ATOM 0 H1' DG A 19 10.938 0.300 -4.046 1.00 0.59 H new ATOM 0 H8 DG A 19 8.925 0.228 -7.349 1.00 0.52 H new ATOM 0 H1 DG A 19 5.582 0.326 -1.854 1.00 0.36 H new ATOM 0 H21 DG A 19 8.748 0.441 -0.338 1.00 0.39 H new ATOM 0 H22 DG A 19 6.995 0.399 -0.117 1.00 0.39 H new ATOM 611 P DG A 20 14.235 -1.966 -4.572 1.00 0.77 P ATOM 612 OP1 DG A 20 15.716 -1.924 -4.468 1.00 0.91 O ATOM 613 OP2 DG A 20 13.642 -2.900 -5.563 1.00 0.81 O ATOM 614 O5' DG A 20 13.624 -2.273 -3.134 1.00 0.78 O ATOM 615 C5' DG A 20 13.843 -1.389 -2.038 1.00 0.88 C ATOM 616 C4' DG A 20 13.183 -1.913 -0.781 1.00 0.87 C ATOM 617 O4' DG A 20 11.748 -1.687 -0.861 1.00 0.78 O ATOM 618 C3' DG A 20 13.355 -3.419 -0.552 1.00 0.87 C ATOM 619 O3' DG A 20 13.544 -3.700 0.846 1.00 1.00 O ATOM 620 C2' DG A 20 12.039 -3.986 -1.040 1.00 0.76 C ATOM 621 C1' DG A 20 11.059 -2.901 -0.628 1.00 0.70 C ATOM 622 N9 DG A 20 9.810 -2.903 -1.398 1.00 0.61 N ATOM 623 C8 DG A 20 9.679 -2.929 -2.764 1.00 0.62 C ATOM 624 N7 DG A 20 8.437 -2.964 -3.157 1.00 0.60 N ATOM 625 C5 DG A 20 7.701 -2.959 -1.987 1.00 0.55 C ATOM 626 C6 DG A 20 6.291 -2.987 -1.789 1.00 0.53 C ATOM 627 O6 DG A 20 5.403 -3.028 -2.647 1.00 0.57 O ATOM 628 N1 DG A 20 5.957 -2.970 -0.432 1.00 0.51 N ATOM 629 C2 DG A 20 6.877 -2.930 0.602 1.00 0.54 C ATOM 630 N2 DG A 20 6.382 -2.925 1.847 1.00 0.57 N ATOM 631 N3 DG A 20 8.196 -2.903 0.424 1.00 0.57 N ATOM 632 C4 DG A 20 8.536 -2.920 -0.887 1.00 0.56 C ATOM 0 H5' DG A 20 13.447 -0.402 -2.277 1.00 0.88 H new ATOM 0 H5'' DG A 20 14.913 -1.271 -1.869 1.00 0.88 H new ATOM 0 H4' DG A 20 13.669 -1.380 0.036 1.00 0.87 H new ATOM 0 H3' DG A 20 14.222 -3.840 -1.062 1.00 0.87 H new ATOM 0 H2' DG A 20 12.039 -4.149 -2.118 1.00 0.76 H new ATOM 0 H2'' DG A 20 11.808 -4.944 -0.573 1.00 0.76 H new ATOM 0 H1' DG A 20 10.756 -3.054 0.408 1.00 0.70 H new ATOM 0 H8 DG A 20 10.519 -2.921 -3.443 1.00 0.62 H new ATOM 0 H1 DG A 20 4.967 -2.988 -0.186 1.00 0.51 H new ATOM 0 H21 DG A 20 7.014 -2.896 2.647 1.00 0.57 H new ATOM 0 H22 DG A 20 5.373 -2.950 1.995 1.00 0.57 H new ATOM 644 P DT A 21 14.059 -5.154 1.320 1.00 1.16 P ATOM 645 OP1 DT A 21 14.671 -5.034 2.668 1.00 1.40 O ATOM 646 OP2 DT A 21 14.889 -5.745 0.239 1.00 1.12 O ATOM 647 O5' DT A 21 12.698 -5.980 1.440 1.00 1.33 O ATOM 648 C5' DT A 21 11.846 -5.841 2.573 1.00 1.50 C ATOM 649 C4' DT A 21 10.580 -6.654 2.401 1.00 1.57 C ATOM 650 O4' DT A 21 9.765 -6.074 1.366 1.00 1.39 O ATOM 651 C3' DT A 21 10.786 -8.091 1.950 1.00 1.69 C ATOM 652 O3' DT A 21 11.043 -8.946 3.067 1.00 1.94 O ATOM 653 C2' DT A 21 9.452 -8.433 1.298 1.00 1.68 C ATOM 654 C1' DT A 21 8.962 -7.081 0.762 1.00 1.46 C ATOM 655 N1 DT A 21 9.053 -6.925 -0.704 1.00 1.39 N ATOM 656 C2 DT A 21 7.970 -6.363 -1.363 1.00 1.36 C ATOM 657 O2 DT A 21 6.945 -6.030 -0.790 1.00 1.38 O ATOM 658 N3 DT A 21 8.134 -6.203 -2.721 1.00 1.41 N ATOM 659 C4 DT A 21 9.250 -6.543 -3.468 1.00 1.48 C ATOM 660 O4 DT A 21 9.256 -6.340 -4.679 1.00 1.61 O ATOM 661 C5 DT A 21 10.349 -7.130 -2.720 1.00 1.46 C ATOM 662 C7 DT A 21 11.597 -7.518 -3.452 1.00 1.58 C ATOM 663 C6 DT A 21 10.204 -7.296 -1.390 1.00 1.43 C ATOM 0 H5' DT A 21 11.592 -4.791 2.715 1.00 1.50 H new ATOM 0 H5'' DT A 21 12.372 -6.166 3.471 1.00 1.50 H new ATOM 0 H4' DT A 21 10.133 -6.648 3.395 1.00 1.57 H new ATOM 0 H3' DT A 21 11.639 -8.217 1.283 1.00 1.69 H new ATOM 0 H2' DT A 21 9.571 -9.163 0.498 1.00 1.68 H new ATOM 0 H2'' DT A 21 8.751 -8.859 2.016 1.00 1.68 H new ATOM 0 HO3' DT A 21 11.171 -9.865 2.753 1.00 1.94 H new ATOM 0 H1' DT A 21 7.903 -7.005 1.007 1.00 1.46 H new ATOM 0 H3 DT A 21 7.352 -5.791 -3.230 1.00 1.41 H new ATOM 0 H71 DT A 21 11.347 -7.797 -4.475 1.00 1.58 H new ATOM 0 H72 DT A 21 12.288 -6.675 -3.465 1.00 1.58 H new ATOM 0 H73 DT A 21 12.066 -8.364 -2.949 1.00 1.58 H new ATOM 0 H6 DT A 21 11.018 -7.737 -0.833 1.00 1.43 H new TER 677 DT A 21