USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 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 26:sc= 0.183 USER MOD Single : A 3 DT C7 :methyl -30:sc= 0 (180deg=-0.0322) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= 0 (180deg=-0.128) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.024 -9.541 3.835 1.00 0.00 O ATOM 2 C5' DG A 1 0.130 -10.428 4.516 1.00 0.00 C ATOM 3 C4' DG A 1 -1.218 -9.779 4.724 1.00 0.00 C ATOM 4 O4' DG A 1 -1.006 -8.413 5.143 1.00 0.00 O ATOM 5 C3' DG A 1 -2.101 -9.710 3.472 1.00 0.00 C ATOM 6 O3' DG A 1 -3.255 -10.563 3.598 1.00 0.00 O ATOM 7 C2' DG A 1 -2.512 -8.248 3.360 1.00 0.00 C ATOM 8 C1' DG A 1 -2.065 -7.617 4.666 1.00 0.00 C ATOM 9 N9 DG A 1 -1.575 -6.248 4.543 1.00 0.00 N ATOM 10 C8 DG A 1 -1.934 -5.168 5.311 1.00 0.00 C ATOM 11 N7 DG A 1 -1.328 -4.066 4.965 1.00 0.00 N ATOM 12 C5 DG A 1 -0.521 -4.440 3.900 1.00 0.00 C ATOM 13 C6 DG A 1 0.372 -3.673 3.109 1.00 0.00 C ATOM 14 O6 DG A 1 0.623 -2.465 3.175 1.00 0.00 O ATOM 15 N1 DG A 1 1.003 -4.452 2.152 1.00 0.00 N ATOM 16 C2 DG A 1 0.776 -5.790 1.948 1.00 0.00 C ATOM 17 N2 DG A 1 1.425 -6.354 0.928 1.00 0.00 N ATOM 18 N3 DG A 1 -0.048 -6.519 2.678 1.00 0.00 N ATOM 19 C4 DG A 1 -0.659 -5.785 3.630 1.00 0.00 C ATOM 0 H5' DG A 1 0.555 -10.710 5.479 1.00 0.00 H new ATOM 0 H5'' DG A 1 0.011 -11.345 3.939 1.00 0.00 H new ATOM 0 H4' DG A 1 -1.731 -10.400 5.459 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.571 -10.055 2.584 1.00 0.00 H new ATOM 0 H2' DG A 1 -2.035 -7.768 2.505 1.00 0.00 H new ATOM 0 H2'' DG A 1 -3.589 -8.150 3.221 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.757 -8.613 4.005 1.00 0.00 H new ATOM 0 H1' DG A 1 -2.930 -7.570 5.327 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.647 -5.225 6.120 1.00 0.00 H new ATOM 0 H1 DG A 1 1.690 -3.995 1.552 1.00 0.00 H new ATOM 0 H21 DG A 1 1.296 -7.346 0.727 1.00 0.00 H new ATOM 0 H22 DG A 1 2.050 -5.793 0.349 1.00 0.00 H new ATOM 32 P DG A 2 -4.294 -10.370 4.819 1.00 0.00 P ATOM 33 OP1 DG A 2 -3.678 -10.880 6.071 1.00 0.00 O ATOM 34 OP2 DG A 2 -5.591 -10.933 4.364 1.00 0.00 O ATOM 35 O5' DG A 2 -4.485 -8.795 4.961 1.00 0.00 O ATOM 36 C5' DG A 2 -5.057 -8.229 6.143 1.00 0.00 C ATOM 37 C4' DG A 2 -5.920 -7.040 5.790 1.00 0.00 C ATOM 38 O4' DG A 2 -5.079 -5.992 5.253 1.00 0.00 O ATOM 39 C3' DG A 2 -6.993 -7.316 4.730 1.00 0.00 C ATOM 40 O3' DG A 2 -8.294 -7.040 5.261 1.00 0.00 O ATOM 41 C2' DG A 2 -6.670 -6.354 3.595 1.00 0.00 C ATOM 42 C1' DG A 2 -5.799 -5.306 4.254 1.00 0.00 C ATOM 43 N9 DG A 2 -4.838 -4.666 3.362 1.00 0.00 N ATOM 44 C8 DG A 2 -4.040 -5.283 2.432 1.00 0.00 C ATOM 45 N7 DG A 2 -3.274 -4.454 1.779 1.00 0.00 N ATOM 46 C5 DG A 2 -3.595 -3.209 2.301 1.00 0.00 C ATOM 47 C6 DG A 2 -3.098 -1.926 1.973 1.00 0.00 C ATOM 48 O6 DG A 2 -2.247 -1.626 1.129 1.00 0.00 O ATOM 49 N1 DG A 2 -3.697 -0.932 2.741 1.00 0.00 N ATOM 50 C2 DG A 2 -4.647 -1.153 3.710 1.00 0.00 C ATOM 51 N2 DG A 2 -5.096 -0.077 4.361 1.00 0.00 N ATOM 52 N3 DG A 2 -5.122 -2.347 4.022 1.00 0.00 N ATOM 53 C4 DG A 2 -4.556 -3.322 3.282 1.00 0.00 C ATOM 0 H5' DG A 2 -4.266 -7.922 6.827 1.00 0.00 H new ATOM 0 H5'' DG A 2 -5.654 -8.979 6.662 1.00 0.00 H new ATOM 0 H4' DG A 2 -6.426 -6.769 6.717 1.00 0.00 H new ATOM 0 H3' DG A 2 -6.997 -8.356 4.402 1.00 0.00 H new ATOM 0 H2' DG A 2 -6.147 -6.856 2.781 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.574 -5.916 3.171 1.00 0.00 H new ATOM 0 H1' DG A 2 -6.442 -4.505 4.620 1.00 0.00 H new ATOM 0 H8 DG A 2 -4.046 -6.349 2.258 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.410 0.032 2.572 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.801 -0.180 5.091 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.734 0.848 4.129 1.00 0.00 H new ATOM 65 P DT A 3 -9.575 -7.819 4.680 1.00 0.00 P ATOM 66 OP1 DT A 3 -10.765 -7.310 5.407 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.279 -9.275 4.685 1.00 0.00 O ATOM 68 O5' DT A 3 -9.672 -7.325 3.168 1.00 0.00 O ATOM 69 C5' DT A 3 -10.101 -8.208 2.128 1.00 0.00 C ATOM 70 C4' DT A 3 -10.987 -7.472 1.150 1.00 0.00 C ATOM 71 O4' DT A 3 -12.007 -6.753 1.888 1.00 0.00 O ATOM 72 C3' DT A 3 -10.277 -6.421 0.297 1.00 0.00 C ATOM 73 O3' DT A 3 -10.876 -6.353 -1.004 1.00 0.00 O ATOM 74 C2' DT A 3 -10.515 -5.136 1.069 1.00 0.00 C ATOM 75 C1' DT A 3 -11.913 -5.363 1.615 1.00 0.00 C ATOM 76 N1 DT A 3 -12.223 -4.635 2.861 1.00 0.00 N ATOM 77 C2 DT A 3 -13.399 -3.920 2.912 1.00 0.00 C ATOM 78 O2 DT A 3 -14.182 -3.859 1.980 1.00 0.00 O ATOM 79 N3 DT A 3 -13.626 -3.276 4.099 1.00 0.00 N ATOM 80 C4 DT A 3 -12.815 -3.271 5.213 1.00 0.00 C ATOM 81 O4 DT A 3 -13.155 -2.645 6.212 1.00 0.00 O ATOM 82 C5 DT A 3 -11.595 -4.038 5.091 1.00 0.00 C ATOM 83 C7 DT A 3 -10.650 -4.082 6.251 1.00 0.00 C ATOM 84 C6 DT A 3 -11.358 -4.676 3.936 1.00 0.00 C ATOM 0 H5' DT A 3 -10.643 -9.051 2.557 1.00 0.00 H new ATOM 0 H5'' DT A 3 -9.235 -8.617 1.608 1.00 0.00 H new ATOM 0 H4' DT A 3 -11.373 -8.245 0.486 1.00 0.00 H new ATOM 0 H3' DT A 3 -9.220 -6.631 0.135 1.00 0.00 H new ATOM 0 H2' DT A 3 -9.783 -4.994 1.864 1.00 0.00 H new ATOM 0 H2'' DT A 3 -10.464 -4.257 0.427 1.00 0.00 H new ATOM 0 H1' DT A 3 -12.620 -4.994 0.872 1.00 0.00 H new ATOM 0 H3 DT A 3 -14.492 -2.741 4.166 1.00 0.00 H new ATOM 0 H71 DT A 3 -10.725 -3.154 6.817 1.00 0.00 H new ATOM 0 H72 DT A 3 -10.905 -4.922 6.897 1.00 0.00 H new ATOM 0 H73 DT A 3 -9.630 -4.202 5.885 1.00 0.00 H new ATOM 0 H6 DT A 3 -10.447 -5.249 3.842 1.00 0.00 H new ATOM 97 P DT A 4 -10.182 -5.478 -2.162 1.00 0.00 P ATOM 98 OP1 DT A 4 -10.511 -4.053 -1.902 1.00 0.00 O ATOM 99 OP2 DT A 4 -10.542 -6.085 -3.469 1.00 0.00 O ATOM 100 O5' DT A 4 -8.619 -5.676 -1.921 1.00 0.00 O ATOM 101 C5' DT A 4 -7.882 -6.668 -2.639 1.00 0.00 C ATOM 102 C4' DT A 4 -7.529 -6.167 -4.022 1.00 0.00 C ATOM 103 O4' DT A 4 -7.950 -4.784 -4.158 1.00 0.00 O ATOM 104 C3' DT A 4 -6.033 -6.181 -4.345 1.00 0.00 C ATOM 105 O3' DT A 4 -5.817 -6.549 -5.712 1.00 0.00 O ATOM 106 C2' DT A 4 -5.608 -4.744 -4.107 1.00 0.00 C ATOM 107 C1' DT A 4 -6.845 -3.974 -4.525 1.00 0.00 C ATOM 108 N1 DT A 4 -6.998 -2.657 -3.871 1.00 0.00 N ATOM 109 C2 DT A 4 -6.937 -1.538 -4.672 1.00 0.00 C ATOM 110 O2 DT A 4 -6.782 -1.592 -5.880 1.00 0.00 O ATOM 111 N3 DT A 4 -7.063 -0.350 -4.007 1.00 0.00 N ATOM 112 C4 DT A 4 -7.239 -0.167 -2.653 1.00 0.00 C ATOM 113 O4 DT A 4 -7.328 0.970 -2.198 1.00 0.00 O ATOM 114 C5 DT A 4 -7.299 -1.380 -1.868 1.00 0.00 C ATOM 115 C7 DT A 4 -7.417 -1.273 -0.379 1.00 0.00 C ATOM 116 C6 DT A 4 -7.186 -2.555 -2.506 1.00 0.00 C ATOM 0 H5' DT A 4 -8.471 -7.582 -2.716 1.00 0.00 H new ATOM 0 H5'' DT A 4 -6.972 -6.920 -2.094 1.00 0.00 H new ATOM 0 H4' DT A 4 -8.036 -6.851 -4.703 1.00 0.00 H new ATOM 0 H3' DT A 4 -5.473 -6.897 -3.744 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.348 -4.563 -3.064 1.00 0.00 H new ATOM 0 H2'' DT A 4 -4.737 -4.472 -4.704 1.00 0.00 H new ATOM 0 H1' DT A 4 -6.772 -3.768 -5.593 1.00 0.00 H new ATOM 0 H3 DT A 4 -7.022 0.495 -4.577 1.00 0.00 H new ATOM 0 H71 DT A 4 -7.961 -2.135 0.006 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.421 -1.245 0.064 1.00 0.00 H new ATOM 0 H73 DT A 4 -7.954 -0.360 -0.121 1.00 0.00 H new ATOM 0 H6 DT A 4 -7.245 -3.464 -1.925 1.00 0.00 H new ATOM 129 P DG A 5 -4.635 -7.574 -6.088 1.00 0.00 P ATOM 130 OP1 DG A 5 -4.156 -7.213 -7.447 1.00 0.00 O ATOM 131 OP2 DG A 5 -5.119 -8.954 -5.824 1.00 0.00 O ATOM 132 O5' DG A 5 -3.476 -7.234 -5.048 1.00 0.00 O ATOM 133 C5' DG A 5 -2.446 -8.180 -4.749 1.00 0.00 C ATOM 134 C4' DG A 5 -1.178 -7.830 -5.497 1.00 0.00 C ATOM 135 O4' DG A 5 -1.057 -6.387 -5.563 1.00 0.00 O ATOM 136 C3' DG A 5 0.112 -8.332 -4.843 1.00 0.00 C ATOM 137 O3' DG A 5 1.047 -8.769 -5.837 1.00 0.00 O ATOM 138 C2' DG A 5 0.643 -7.106 -4.122 1.00 0.00 C ATOM 139 C1' DG A 5 0.193 -5.983 -5.035 1.00 0.00 C ATOM 140 N9 DG A 5 0.008 -4.699 -4.367 1.00 0.00 N ATOM 141 C8 DG A 5 0.344 -3.460 -4.851 1.00 0.00 C ATOM 142 N7 DG A 5 0.058 -2.490 -4.027 1.00 0.00 N ATOM 143 C5 DG A 5 -0.503 -3.128 -2.929 1.00 0.00 C ATOM 144 C6 DG A 5 -1.008 -2.594 -1.716 1.00 0.00 C ATOM 145 O6 DG A 5 -1.046 -1.412 -1.351 1.00 0.00 O ATOM 146 N1 DG A 5 -1.497 -3.595 -0.881 1.00 0.00 N ATOM 147 C2 DG A 5 -1.474 -4.941 -1.167 1.00 0.00 C ATOM 148 N2 DG A 5 -1.956 -5.762 -0.226 1.00 0.00 N ATOM 149 N3 DG A 5 -1.005 -5.449 -2.293 1.00 0.00 N ATOM 150 C4 DG A 5 -0.541 -4.492 -3.123 1.00 0.00 C ATOM 0 H5' DG A 5 -2.773 -9.183 -5.023 1.00 0.00 H new ATOM 0 H5'' DG A 5 -2.252 -8.190 -3.676 1.00 0.00 H new ATOM 0 H4' DG A 5 -1.276 -8.314 -6.469 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.052 -9.183 -4.181 1.00 0.00 H new ATOM 0 H2' DG A 5 0.225 -7.009 -3.120 1.00 0.00 H new ATOM 0 H2'' DG A 5 1.727 -7.134 -4.014 1.00 0.00 H new ATOM 0 H1' DG A 5 0.969 -5.824 -5.783 1.00 0.00 H new ATOM 0 H8 DG A 5 0.800 -3.303 -5.818 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.903 -3.309 0.010 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.964 -6.770 -0.384 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.315 -5.380 0.649 1.00 0.00 H new ATOM 162 P DG A 6 2.487 -9.331 -5.387 1.00 0.00 P ATOM 163 OP1 DG A 6 3.045 -10.090 -6.535 1.00 0.00 O ATOM 164 OP2 DG A 6 2.340 -10.000 -4.069 1.00 0.00 O ATOM 165 O5' DG A 6 3.371 -8.019 -5.185 1.00 0.00 O ATOM 166 C5' DG A 6 3.846 -7.271 -6.307 1.00 0.00 C ATOM 167 C4' DG A 6 4.915 -6.294 -5.874 1.00 0.00 C ATOM 168 O4' DG A 6 4.328 -5.349 -4.941 1.00 0.00 O ATOM 169 C3' DG A 6 6.107 -6.923 -5.139 1.00 0.00 C ATOM 170 O3' DG A 6 7.388 -6.346 -5.499 1.00 0.00 O ATOM 171 C2' DG A 6 5.809 -6.626 -3.680 1.00 0.00 C ATOM 172 C1' DG A 6 5.153 -5.269 -3.794 1.00 0.00 C ATOM 173 N9 DG A 6 4.327 -4.864 -2.659 1.00 0.00 N ATOM 174 C8 DG A 6 3.557 -5.657 -1.843 1.00 0.00 C ATOM 175 N7 DG A 6 2.977 -4.993 -0.880 1.00 0.00 N ATOM 176 C5 DG A 6 3.375 -3.679 -1.084 1.00 0.00 C ATOM 177 C6 DG A 6 3.063 -2.496 -0.360 1.00 0.00 C ATOM 178 O6 DG A 6 2.333 -2.360 0.634 1.00 0.00 O ATOM 179 N1 DG A 6 3.685 -1.385 -0.912 1.00 0.00 N ATOM 180 C2 DG A 6 4.481 -1.398 -2.030 1.00 0.00 C ATOM 181 N2 DG A 6 4.954 -0.219 -2.434 1.00 0.00 N ATOM 182 N3 DG A 6 4.782 -2.487 -2.708 1.00 0.00 N ATOM 183 C4 DG A 6 4.200 -3.583 -2.184 1.00 0.00 C ATOM 0 H5' DG A 6 3.019 -6.733 -6.770 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.247 -7.949 -7.061 1.00 0.00 H new ATOM 0 H4' DG A 6 5.285 -5.846 -6.796 1.00 0.00 H new ATOM 0 H3' DG A 6 6.201 -7.981 -5.386 1.00 0.00 H new ATOM 0 H2' DG A 6 5.147 -7.369 -3.234 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.713 -6.598 -3.071 1.00 0.00 H new ATOM 0 H1' DG A 6 5.943 -4.520 -3.840 1.00 0.00 H new ATOM 0 H8 DG A 6 3.443 -6.722 -1.984 1.00 0.00 H new ATOM 0 H1 DG A 6 3.539 -0.487 -0.450 1.00 0.00 H new ATOM 0 H21 DG A 6 5.551 -0.165 -3.259 1.00 0.00 H new ATOM 0 H22 DG A 6 4.718 0.629 -1.918 1.00 0.00 H new ATOM 195 P DT A 7 7.488 -4.914 -6.248 1.00 0.00 P ATOM 196 OP1 DT A 7 6.269 -4.095 -6.039 1.00 0.00 O ATOM 197 OP2 DT A 7 7.941 -5.203 -7.632 1.00 0.00 O ATOM 198 O5' DT A 7 8.688 -4.173 -5.499 1.00 0.00 O ATOM 199 C5' DT A 7 9.441 -3.137 -6.144 1.00 0.00 C ATOM 200 C4' DT A 7 9.246 -1.818 -5.429 1.00 0.00 C ATOM 201 O4' DT A 7 9.393 -0.743 -6.383 1.00 0.00 O ATOM 202 C3' DT A 7 7.875 -1.610 -4.775 1.00 0.00 C ATOM 203 O3' DT A 7 7.983 -1.715 -3.338 1.00 0.00 O ATOM 204 C2' DT A 7 7.418 -0.233 -5.249 1.00 0.00 C ATOM 205 C1' DT A 7 8.651 0.360 -5.921 1.00 0.00 C ATOM 206 N1 DT A 7 8.405 1.258 -7.074 1.00 0.00 N ATOM 207 C2 DT A 7 9.353 2.229 -7.314 1.00 0.00 C ATOM 208 O2 DT A 7 10.345 2.376 -6.621 1.00 0.00 O ATOM 209 N3 DT A 7 9.098 3.026 -8.397 1.00 0.00 N ATOM 210 C4 DT A 7 8.018 2.954 -9.248 1.00 0.00 C ATOM 211 O4 DT A 7 7.928 3.742 -10.185 1.00 0.00 O ATOM 212 C5 DT A 7 7.058 1.919 -8.942 1.00 0.00 C ATOM 213 C7 DT A 7 5.877 1.741 -9.844 1.00 0.00 C ATOM 214 C6 DT A 7 7.286 1.133 -7.878 1.00 0.00 C ATOM 0 H5' DT A 7 9.127 -3.044 -7.184 1.00 0.00 H new ATOM 0 H5'' DT A 7 10.499 -3.400 -6.153 1.00 0.00 H new ATOM 0 H4' DT A 7 9.992 -1.827 -4.635 1.00 0.00 H new ATOM 0 H3' DT A 7 7.144 -2.368 -5.056 1.00 0.00 H new ATOM 0 H2' DT A 7 6.583 -0.309 -5.945 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.083 0.384 -4.415 1.00 0.00 H new ATOM 0 H1' DT A 7 9.148 0.989 -5.182 1.00 0.00 H new ATOM 0 H3 DT A 7 9.784 3.754 -8.596 1.00 0.00 H new ATOM 0 H71 DT A 7 5.569 0.695 -9.838 1.00 0.00 H new ATOM 0 H72 DT A 7 5.054 2.364 -9.493 1.00 0.00 H new ATOM 0 H73 DT A 7 6.147 2.034 -10.859 1.00 0.00 H new ATOM 0 H6 DT A 7 6.563 0.368 -7.638 1.00 0.00 H new ATOM 227 P DG A 8 8.530 -0.485 -2.445 1.00 0.00 P ATOM 228 OP1 DG A 8 8.884 0.690 -3.272 1.00 0.00 O ATOM 229 OP2 DG A 8 9.552 -1.066 -1.539 1.00 0.00 O ATOM 230 O5' DG A 8 7.265 -0.081 -1.565 1.00 0.00 O ATOM 231 C5' DG A 8 7.400 0.706 -0.382 1.00 0.00 C ATOM 232 C4' DG A 8 7.337 -0.177 0.842 1.00 0.00 C ATOM 233 O4' DG A 8 6.508 -1.331 0.556 1.00 0.00 O ATOM 234 C3' DG A 8 8.698 -0.726 1.289 1.00 0.00 C ATOM 235 O3' DG A 8 8.944 -0.399 2.659 1.00 0.00 O ATOM 236 C2' DG A 8 8.577 -2.229 1.112 1.00 0.00 C ATOM 237 C1' DG A 8 7.075 -2.440 1.212 1.00 0.00 C ATOM 238 N9 DG A 8 6.638 -3.658 0.540 1.00 0.00 N ATOM 239 C8 DG A 8 6.929 -4.024 -0.749 1.00 0.00 C ATOM 240 N7 DG A 8 6.463 -5.200 -1.068 1.00 0.00 N ATOM 241 C5 DG A 8 5.805 -5.630 0.078 1.00 0.00 C ATOM 242 C6 DG A 8 5.099 -6.835 0.338 1.00 0.00 C ATOM 243 O6 DG A 8 4.913 -7.800 -0.414 1.00 0.00 O ATOM 244 N1 DG A 8 4.581 -6.857 1.628 1.00 0.00 N ATOM 245 C2 DG A 8 4.725 -5.853 2.551 1.00 0.00 C ATOM 246 N2 DG A 8 4.148 -6.060 3.740 1.00 0.00 N ATOM 247 N3 DG A 8 5.383 -4.727 2.325 1.00 0.00 N ATOM 248 C4 DG A 8 5.893 -4.683 1.076 1.00 0.00 C ATOM 0 H5' DG A 8 6.608 1.453 -0.341 1.00 0.00 H new ATOM 0 H5'' DG A 8 8.347 1.246 -0.402 1.00 0.00 H new ATOM 0 H4' DG A 8 6.941 0.455 1.637 1.00 0.00 H new ATOM 0 H3' DG A 8 9.525 -0.306 0.716 1.00 0.00 H new ATOM 0 H2' DG A 8 8.972 -2.560 0.152 1.00 0.00 H new ATOM 0 H2'' DG A 8 9.118 -2.776 1.885 1.00 0.00 H new ATOM 0 H1' DG A 8 6.775 -2.536 2.255 1.00 0.00 H new ATOM 0 H8 DG A 8 7.488 -3.401 -1.432 1.00 0.00 H new ATOM 0 H1 DG A 8 4.053 -7.683 1.910 1.00 0.00 H new ATOM 0 H21 DG A 8 4.218 -5.352 4.471 1.00 0.00 H new ATOM 0 H22 DG A 8 3.638 -6.926 3.916 1.00 0.00 H new ATOM 260 P DT A 9 9.351 1.104 3.058 1.00 0.00 P ATOM 261 OP1 DT A 9 9.946 1.748 1.858 1.00 0.00 O ATOM 262 OP2 DT A 9 10.127 1.054 4.322 1.00 0.00 O ATOM 263 O5' DT A 9 7.954 1.808 3.362 1.00 0.00 O ATOM 264 C5' DT A 9 7.763 3.197 3.100 1.00 0.00 C ATOM 265 C4' DT A 9 7.036 3.855 4.249 1.00 0.00 C ATOM 266 O4' DT A 9 5.922 3.034 4.657 1.00 0.00 O ATOM 267 C3' DT A 9 7.861 4.090 5.521 1.00 0.00 C ATOM 268 O3' DT A 9 8.120 5.499 5.736 1.00 0.00 O ATOM 269 C2' DT A 9 7.001 3.515 6.644 1.00 0.00 C ATOM 270 C1' DT A 9 5.644 3.372 5.991 1.00 0.00 C ATOM 271 N1 DT A 9 4.720 2.354 6.536 1.00 0.00 N ATOM 272 C2 DT A 9 3.515 2.837 6.993 1.00 0.00 C ATOM 273 O2 DT A 9 3.246 4.026 7.026 1.00 0.00 O ATOM 274 N3 DT A 9 2.634 1.884 7.411 1.00 0.00 N ATOM 275 C4 DT A 9 2.817 0.523 7.406 1.00 0.00 C ATOM 276 O4 DT A 9 1.911 -0.212 7.787 1.00 0.00 O ATOM 277 C5 DT A 9 4.102 0.068 6.925 1.00 0.00 C ATOM 278 C7 DT A 9 4.256 -1.391 6.627 1.00 0.00 C ATOM 279 C6 DT A 9 5.011 0.997 6.557 1.00 0.00 C ATOM 0 H5' DT A 9 7.193 3.325 2.180 1.00 0.00 H new ATOM 0 H5'' DT A 9 8.728 3.681 2.947 1.00 0.00 H new ATOM 0 H4' DT A 9 6.754 4.828 3.848 1.00 0.00 H new ATOM 0 H3' DT A 9 8.842 3.619 5.463 1.00 0.00 H new ATOM 0 H2' DT A 9 7.383 2.557 6.995 1.00 0.00 H new ATOM 0 H2'' DT A 9 6.966 4.180 7.507 1.00 0.00 H new ATOM 0 H1' DT A 9 5.115 4.310 6.160 1.00 0.00 H new ATOM 0 H3 DT A 9 1.739 2.219 7.767 1.00 0.00 H new ATOM 0 H71 DT A 9 4.987 -1.524 5.829 1.00 0.00 H new ATOM 0 H72 DT A 9 4.597 -1.911 7.522 1.00 0.00 H new ATOM 0 H73 DT A 9 3.296 -1.801 6.312 1.00 0.00 H new ATOM 0 H6 DT A 9 6.000 0.672 6.269 1.00 0.00 H new ATOM 292 P DG A 10 7.077 6.628 5.222 1.00 0.00 P ATOM 293 OP1 DG A 10 7.652 7.937 5.625 1.00 0.00 O ATOM 294 OP2 DG A 10 5.705 6.271 5.658 1.00 0.00 O ATOM 295 O5' DG A 10 7.149 6.551 3.628 1.00 0.00 O ATOM 296 C5' DG A 10 5.962 6.520 2.817 1.00 0.00 C ATOM 297 C4' DG A 10 6.302 6.822 1.379 1.00 0.00 C ATOM 298 O4' DG A 10 6.414 5.550 0.710 1.00 0.00 O ATOM 299 C3' DG A 10 5.233 7.616 0.622 1.00 0.00 C ATOM 300 O3' DG A 10 5.817 8.508 -0.355 1.00 0.00 O ATOM 301 C2' DG A 10 4.386 6.531 -0.013 1.00 0.00 C ATOM 302 C1' DG A 10 5.385 5.413 -0.245 1.00 0.00 C ATOM 303 N9 DG A 10 4.839 4.069 -0.135 1.00 0.00 N ATOM 304 C8 DG A 10 5.074 3.060 -1.017 1.00 0.00 C ATOM 305 N7 DG A 10 4.447 1.955 -0.725 1.00 0.00 N ATOM 306 C5 DG A 10 3.763 2.256 0.443 1.00 0.00 C ATOM 307 C6 DG A 10 2.916 1.456 1.237 1.00 0.00 C ATOM 308 O6 DG A 10 2.573 0.287 1.068 1.00 0.00 O ATOM 309 N1 DG A 10 2.442 2.150 2.333 1.00 0.00 N ATOM 310 C2 DG A 10 2.736 3.457 2.632 1.00 0.00 C ATOM 311 N2 DG A 10 2.178 3.950 3.740 1.00 0.00 N ATOM 312 N3 DG A 10 3.521 4.222 1.897 1.00 0.00 N ATOM 313 C4 DG A 10 4.000 3.561 0.824 1.00 0.00 C ATOM 0 H5' DG A 10 5.241 7.248 3.188 1.00 0.00 H new ATOM 0 H5'' DG A 10 5.490 5.540 2.888 1.00 0.00 H new ATOM 0 H4' DG A 10 7.209 7.427 1.384 1.00 0.00 H new ATOM 0 H3' DG A 10 4.652 8.277 1.265 1.00 0.00 H new ATOM 0 H2' DG A 10 3.574 6.217 0.642 1.00 0.00 H new ATOM 0 H2'' DG A 10 3.932 6.867 -0.945 1.00 0.00 H new ATOM 0 H1' DG A 10 5.731 5.515 -1.274 1.00 0.00 H new ATOM 0 H8 DG A 10 5.719 3.165 -1.877 1.00 0.00 H new ATOM 0 H1 DG A 10 1.823 1.651 2.972 1.00 0.00 H new ATOM 0 H21 DG A 10 2.358 4.915 4.016 1.00 0.00 H new ATOM 0 H22 DG A 10 1.571 3.361 4.311 1.00 0.00 H new ATOM 325 P DG A 11 6.376 7.953 -1.768 1.00 0.00 P ATOM 326 OP1 DG A 11 7.322 6.841 -1.496 1.00 0.00 O ATOM 327 OP2 DG A 11 6.857 9.139 -2.518 1.00 0.00 O ATOM 328 O5' DG A 11 5.088 7.410 -2.547 1.00 0.00 O ATOM 329 C5' DG A 11 5.039 6.071 -3.056 1.00 0.00 C ATOM 330 C4' DG A 11 4.543 6.044 -4.482 1.00 0.00 C ATOM 331 O4' DG A 11 3.780 4.831 -4.641 1.00 0.00 O ATOM 332 C3' DG A 11 3.625 7.180 -4.927 1.00 0.00 C ATOM 333 O3' DG A 11 3.870 7.496 -6.301 1.00 0.00 O ATOM 334 C2' DG A 11 2.223 6.616 -4.765 1.00 0.00 C ATOM 335 C1' DG A 11 2.390 5.100 -4.733 1.00 0.00 C ATOM 336 N9 DG A 11 1.730 4.477 -3.587 1.00 0.00 N ATOM 337 C8 DG A 11 1.414 5.079 -2.393 1.00 0.00 C ATOM 338 N7 DG A 11 0.803 4.284 -1.557 1.00 0.00 N ATOM 339 C5 DG A 11 0.715 3.076 -2.238 1.00 0.00 C ATOM 340 C6 DG A 11 0.160 1.828 -1.836 1.00 0.00 C ATOM 341 O6 DG A 11 -0.372 1.528 -0.758 1.00 0.00 O ATOM 342 N1 DG A 11 0.276 0.871 -2.836 1.00 0.00 N ATOM 343 C2 DG A 11 0.861 1.080 -4.062 1.00 0.00 C ATOM 344 N2 DG A 11 0.889 0.031 -4.887 1.00 0.00 N ATOM 345 N3 DG A 11 1.382 2.232 -4.450 1.00 0.00 N ATOM 346 C4 DG A 11 1.275 3.180 -3.496 1.00 0.00 C ATOM 0 H5' DG A 11 4.384 5.465 -2.429 1.00 0.00 H new ATOM 0 H5'' DG A 11 6.032 5.624 -3.005 1.00 0.00 H new ATOM 0 H4' DG A 11 5.443 6.133 -5.091 1.00 0.00 H new ATOM 0 H3' DG A 11 3.778 8.094 -4.353 1.00 0.00 H new ATOM 0 H2' DG A 11 1.759 6.978 -3.848 1.00 0.00 H new ATOM 0 H2'' DG A 11 1.580 6.922 -5.590 1.00 0.00 H new ATOM 0 H1' DG A 11 1.934 4.689 -5.634 1.00 0.00 H new ATOM 0 H8 DG A 11 1.648 6.109 -2.168 1.00 0.00 H new ATOM 0 H1 DG A 11 -0.102 -0.057 -2.646 1.00 0.00 H new ATOM 0 H21 DG A 11 1.309 0.121 -5.812 1.00 0.00 H new ATOM 0 H22 DG A 11 0.490 -0.860 -4.592 1.00 0.00 H new ATOM 358 P DT A 12 4.027 9.030 -6.753 1.00 0.00 P ATOM 359 OP1 DT A 12 3.777 9.106 -8.215 1.00 0.00 O ATOM 360 OP2 DT A 12 5.315 9.525 -6.204 1.00 0.00 O ATOM 361 O5' DT A 12 2.841 9.783 -6.000 1.00 0.00 O ATOM 362 C5' DT A 12 1.544 9.893 -6.589 1.00 0.00 C ATOM 363 C4' DT A 12 0.539 10.342 -5.555 1.00 0.00 C ATOM 364 O4' DT A 12 -0.742 10.554 -6.199 1.00 0.00 O ATOM 365 C3' DT A 12 0.280 9.334 -4.434 1.00 0.00 C ATOM 366 O3' DT A 12 0.113 10.020 -3.189 1.00 0.00 O ATOM 367 C2' DT A 12 -1.007 8.652 -4.867 1.00 0.00 C ATOM 368 C1' DT A 12 -1.739 9.795 -5.538 1.00 0.00 C ATOM 369 N1 DT A 12 -2.741 9.393 -6.541 1.00 0.00 N ATOM 370 C2 DT A 12 -3.939 10.069 -6.569 1.00 0.00 C ATOM 371 O2 DT A 12 -4.213 10.974 -5.799 1.00 0.00 O ATOM 372 N3 DT A 12 -4.811 9.646 -7.536 1.00 0.00 N ATOM 373 C4 DT A 12 -4.610 8.640 -8.456 1.00 0.00 C ATOM 374 O4 DT A 12 -5.486 8.379 -9.274 1.00 0.00 O ATOM 375 C5 DT A 12 -3.331 7.971 -8.369 1.00 0.00 C ATOM 376 C7 DT A 12 -3.012 6.894 -9.357 1.00 0.00 C ATOM 377 C6 DT A 12 -2.469 8.369 -7.422 1.00 0.00 C ATOM 0 H5' DT A 12 1.243 8.932 -7.006 1.00 0.00 H new ATOM 0 H5'' DT A 12 1.570 10.604 -7.414 1.00 0.00 H new ATOM 0 H4' DT A 12 0.970 11.242 -5.115 1.00 0.00 H new ATOM 0 H3' DT A 12 1.095 8.626 -4.282 1.00 0.00 H new ATOM 0 H2' DT A 12 -0.823 7.824 -5.551 1.00 0.00 H new ATOM 0 H2'' DT A 12 -1.563 8.249 -4.021 1.00 0.00 H new ATOM 0 H1' DT A 12 -2.293 10.333 -4.769 1.00 0.00 H new ATOM 0 H3 DT A 12 -5.708 10.129 -7.580 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.936 6.865 -9.528 1.00 0.00 H new ATOM 0 H72 DT A 12 -3.344 5.932 -8.966 1.00 0.00 H new ATOM 0 H73 DT A 12 -3.524 7.100 -10.297 1.00 0.00 H new ATOM 0 H6 DT A 12 -1.518 7.864 -7.346 1.00 0.00 H new ATOM 390 P DT A 13 -0.416 9.222 -1.897 1.00 0.00 P ATOM 391 OP1 DT A 13 -1.736 9.815 -1.565 1.00 0.00 O ATOM 392 OP2 DT A 13 0.661 9.205 -0.876 1.00 0.00 O ATOM 393 O5' DT A 13 -0.639 7.733 -2.424 1.00 0.00 O ATOM 394 C5' DT A 13 -1.412 6.792 -1.680 1.00 0.00 C ATOM 395 C4' DT A 13 -2.881 6.964 -1.985 1.00 0.00 C ATOM 396 O4' DT A 13 -3.185 6.273 -3.218 1.00 0.00 O ATOM 397 C3' DT A 13 -3.831 6.390 -0.925 1.00 0.00 C ATOM 398 O3' DT A 13 -4.692 7.416 -0.414 1.00 0.00 O ATOM 399 C2' DT A 13 -4.650 5.346 -1.670 1.00 0.00 C ATOM 400 C1' DT A 13 -4.487 5.745 -3.123 1.00 0.00 C ATOM 401 N1 DT A 13 -4.603 4.635 -4.086 1.00 0.00 N ATOM 402 C2 DT A 13 -5.638 4.669 -4.994 1.00 0.00 C ATOM 403 O2 DT A 13 -6.451 5.576 -5.043 1.00 0.00 O ATOM 404 N3 DT A 13 -5.687 3.598 -5.844 1.00 0.00 N ATOM 405 C4 DT A 13 -4.828 2.521 -5.879 1.00 0.00 C ATOM 406 O4 DT A 13 -5.013 1.621 -6.692 1.00 0.00 O ATOM 407 C5 DT A 13 -3.762 2.550 -4.903 1.00 0.00 C ATOM 408 C7 DT A 13 -2.807 1.400 -4.843 1.00 0.00 C ATOM 409 C6 DT A 13 -3.697 3.595 -4.065 1.00 0.00 C ATOM 0 H5' DT A 13 -1.236 6.929 -0.613 1.00 0.00 H new ATOM 0 H5'' DT A 13 -1.099 5.778 -1.927 1.00 0.00 H new ATOM 0 H4' DT A 13 -3.041 8.041 -2.029 1.00 0.00 H new ATOM 0 H3' DT A 13 -3.294 5.973 -0.073 1.00 0.00 H new ATOM 0 H2' DT A 13 -4.279 4.338 -1.486 1.00 0.00 H new ATOM 0 H2'' DT A 13 -5.696 5.362 -1.364 1.00 0.00 H new ATOM 0 H1' DT A 13 -5.287 6.440 -3.381 1.00 0.00 H new ATOM 0 H3 DT A 13 -6.444 3.597 -6.528 1.00 0.00 H new ATOM 0 H71 DT A 13 -3.316 0.488 -5.155 1.00 0.00 H new ATOM 0 H72 DT A 13 -1.965 1.591 -5.508 1.00 0.00 H new ATOM 0 H73 DT A 13 -2.443 1.282 -3.822 1.00 0.00 H new ATOM 0 H6 DT A 13 -2.898 3.624 -3.339 1.00 0.00 H new ATOM 422 P DG A 14 -4.070 8.649 0.413 1.00 0.00 P ATOM 423 OP1 DG A 14 -4.739 9.884 -0.068 1.00 0.00 O ATOM 424 OP2 DG A 14 -2.590 8.556 0.381 1.00 0.00 O ATOM 425 O5' DG A 14 -4.532 8.388 1.916 1.00 0.00 O ATOM 426 C5' DG A 14 -3.665 8.698 3.009 1.00 0.00 C ATOM 427 C4' DG A 14 -4.158 8.041 4.277 1.00 0.00 C ATOM 428 O4' DG A 14 -4.526 6.669 3.987 1.00 0.00 O ATOM 429 C3' DG A 14 -3.120 7.967 5.400 1.00 0.00 C ATOM 430 O3' DG A 14 -3.742 8.209 6.668 1.00 0.00 O ATOM 431 C2' DG A 14 -2.613 6.539 5.317 1.00 0.00 C ATOM 432 C1' DG A 14 -3.863 5.802 4.889 1.00 0.00 C ATOM 433 N9 DG A 14 -3.634 4.532 4.207 1.00 0.00 N ATOM 434 C8 DG A 14 -4.246 3.334 4.478 1.00 0.00 C ATOM 435 N7 DG A 14 -3.861 2.368 3.691 1.00 0.00 N ATOM 436 C5 DG A 14 -2.923 2.960 2.855 1.00 0.00 C ATOM 437 C6 DG A 14 -2.155 2.407 1.797 1.00 0.00 C ATOM 438 O6 DG A 14 -2.121 1.233 1.396 1.00 0.00 O ATOM 439 N1 DG A 14 -1.349 3.369 1.197 1.00 0.00 N ATOM 440 C2 DG A 14 -1.253 4.676 1.593 1.00 0.00 C ATOM 441 N2 DG A 14 -0.376 5.429 0.916 1.00 0.00 N ATOM 442 N3 DG A 14 -1.955 5.205 2.581 1.00 0.00 N ATOM 443 C4 DG A 14 -2.770 4.297 3.161 1.00 0.00 C ATOM 0 H5' DG A 14 -3.616 9.778 3.147 1.00 0.00 H new ATOM 0 H5'' DG A 14 -2.653 8.359 2.786 1.00 0.00 H new ATOM 0 H4' DG A 14 -4.989 8.661 4.615 1.00 0.00 H new ATOM 0 H3' DG A 14 -2.325 8.706 5.301 1.00 0.00 H new ATOM 0 H2' DG A 14 -1.805 6.432 4.593 1.00 0.00 H new ATOM 0 H2'' DG A 14 -2.233 6.182 6.274 1.00 0.00 H new ATOM 0 H1' DG A 14 -4.426 5.551 5.788 1.00 0.00 H new ATOM 0 H8 DG A 14 -4.974 3.204 5.265 1.00 0.00 H new ATOM 0 H1 DG A 14 -0.785 3.078 0.399 1.00 0.00 H new ATOM 0 H21 DG A 14 -0.254 6.412 1.159 1.00 0.00 H new ATOM 0 H22 DG A 14 0.170 5.019 0.158 1.00 0.00 H new ATOM 455 P DG A 15 -2.839 8.292 7.997 1.00 0.00 P ATOM 456 OP1 DG A 15 -3.745 8.306 9.174 1.00 0.00 O ATOM 457 OP2 DG A 15 -1.869 9.400 7.804 1.00 0.00 O ATOM 458 O5' DG A 15 -2.027 6.921 8.000 1.00 0.00 O ATOM 459 C5' DG A 15 -1.649 6.288 9.223 1.00 0.00 C ATOM 460 C4' DG A 15 -2.381 4.975 9.379 1.00 0.00 C ATOM 461 O4' DG A 15 -2.285 4.237 8.136 1.00 0.00 O ATOM 462 C3' DG A 15 -1.821 4.052 10.463 1.00 0.00 C ATOM 463 O3' DG A 15 -2.879 3.393 11.164 1.00 0.00 O ATOM 464 C2' DG A 15 -0.998 3.044 9.682 1.00 0.00 C ATOM 465 C1' DG A 15 -1.775 2.941 8.386 1.00 0.00 C ATOM 466 N9 DG A 15 -0.985 2.539 7.227 1.00 0.00 N ATOM 467 C8 DG A 15 -0.122 3.317 6.496 1.00 0.00 C ATOM 468 N7 DG A 15 0.433 2.678 5.504 1.00 0.00 N ATOM 469 C5 DG A 15 -0.093 1.396 5.587 1.00 0.00 C ATOM 470 C6 DG A 15 0.134 0.252 4.779 1.00 0.00 C ATOM 471 O6 DG A 15 0.859 0.140 3.783 1.00 0.00 O ATOM 472 N1 DG A 15 -0.594 -0.842 5.227 1.00 0.00 N ATOM 473 C2 DG A 15 -1.449 -0.834 6.302 1.00 0.00 C ATOM 474 N2 DG A 15 -2.078 -1.980 6.572 1.00 0.00 N ATOM 475 N3 DG A 15 -1.674 0.223 7.059 1.00 0.00 N ATOM 476 C4 DG A 15 -0.967 1.295 6.649 1.00 0.00 C ATOM 0 H5' DG A 15 -1.877 6.942 10.065 1.00 0.00 H new ATOM 0 H5'' DG A 15 -0.573 6.116 9.235 1.00 0.00 H new ATOM 0 H4' DG A 15 -3.399 5.246 9.660 1.00 0.00 H new ATOM 0 H3' DG A 15 -1.242 4.588 11.216 1.00 0.00 H new ATOM 0 H2' DG A 15 0.023 3.389 9.519 1.00 0.00 H new ATOM 0 H2'' DG A 15 -0.932 2.085 10.196 1.00 0.00 H new ATOM 0 HO3' DG A 15 -2.500 2.806 11.852 1.00 0.00 H new ATOM 0 H1' DG A 15 -2.533 2.168 8.512 1.00 0.00 H new ATOM 0 H8 DG A 15 0.077 4.355 6.720 1.00 0.00 H new ATOM 0 H1 DG A 15 -0.486 -1.720 4.719 1.00 0.00 H new ATOM 0 H21 DG A 15 -2.725 -2.034 7.359 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.912 -2.802 5.992 1.00 0.00 H new TER 489 DG A 15