USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 173 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 75:sc= 0.601 USER MOD Single : A 3 DT C7 :methyl -30:sc= -0.453 (180deg=-0.881) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl -30:sc= 0 (180deg=-1.14) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.693 (180deg=-4.05!) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.246 (180deg=-0.246) USER MOD Single : A 13 DT C7 :methyl -30:sc= -1.16 (180deg=-3.12) USER MOD Single : A 15 DG O3' : rot 180:sc= -0.0034 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.475 -2.135 -9.609 1.00 0.22 O ATOM 2 C5' DG A 1 5.966 -1.078 -10.489 1.00 0.25 C ATOM 3 C4' DG A 1 6.805 -0.934 -11.794 1.00 0.19 C ATOM 4 O4' DG A 1 8.159 -0.696 -11.370 1.00 0.19 O ATOM 5 C3' DG A 1 6.799 -2.144 -12.699 1.00 0.19 C ATOM 6 O3' DG A 1 6.939 -1.776 -14.093 1.00 0.19 O ATOM 7 C2' DG A 1 7.993 -2.822 -12.089 1.00 0.17 C ATOM 8 C1' DG A 1 9.003 -1.689 -11.908 1.00 0.22 C ATOM 9 N9 DG A 1 10.163 -2.063 -11.057 1.00 0.23 N ATOM 10 C8 DG A 1 11.430 -2.356 -11.439 1.00 0.24 C ATOM 11 N7 DG A 1 12.225 -2.621 -10.479 1.00 0.23 N ATOM 12 C5 DG A 1 11.467 -2.506 -9.347 1.00 0.21 C ATOM 13 C6 DG A 1 11.817 -2.685 -8.005 1.00 0.23 C ATOM 14 O6 DG A 1 12.898 -3.017 -7.568 1.00 0.24 O ATOM 15 N1 DG A 1 10.719 -2.464 -7.148 1.00 0.26 N ATOM 16 C2 DG A 1 9.455 -2.123 -7.578 1.00 0.26 C ATOM 17 N2 DG A 1 8.499 -1.930 -6.711 1.00 0.26 N ATOM 18 N3 DG A 1 9.112 -1.952 -8.855 1.00 0.24 N ATOM 19 C4 DG A 1 10.177 -2.163 -9.681 1.00 0.22 C ATOM 0 H5' DG A 1 5.969 -0.129 -9.952 1.00 0.25 H new ATOM 0 H5'' DG A 1 4.930 -1.294 -10.749 1.00 0.25 H new ATOM 0 H4' DG A 1 6.364 -0.130 -12.383 1.00 0.19 H new ATOM 0 H3' DG A 1 5.896 -2.753 -12.742 1.00 0.19 H new ATOM 0 H2' DG A 1 7.744 -3.291 -11.137 1.00 0.17 H new ATOM 0 H2'' DG A 1 8.383 -3.606 -12.738 1.00 0.17 H new ATOM 0 HO5' DG A 1 7.293 -1.826 -9.166 1.00 0.22 H new ATOM 0 H1' DG A 1 9.522 -1.376 -12.814 1.00 0.22 H new ATOM 0 H8 DG A 1 11.741 -2.364 -12.473 1.00 0.24 H new ATOM 0 H1 DG A 1 10.870 -2.563 -6.144 1.00 0.26 H new ATOM 0 H21 DG A 1 7.564 -1.678 -7.031 1.00 0.26 H new ATOM 0 H22 DG A 1 8.687 -2.032 -5.714 1.00 0.26 H new ATOM 32 P DG A 2 6.911 -2.870 -15.337 1.00 0.25 P ATOM 33 OP1 DG A 2 7.366 -2.154 -16.533 1.00 0.31 O ATOM 34 OP2 DG A 2 5.631 -3.631 -15.382 1.00 0.30 O ATOM 35 O5' DG A 2 8.076 -3.871 -14.912 1.00 0.25 O ATOM 36 C5' DG A 2 9.485 -3.746 -15.200 1.00 0.28 C ATOM 37 C4' DG A 2 10.396 -4.685 -14.354 1.00 0.22 C ATOM 38 O4' DG A 2 10.429 -4.415 -12.930 1.00 0.20 O ATOM 39 C3' DG A 2 10.032 -6.170 -14.541 1.00 0.21 C ATOM 40 O3' DG A 2 11.126 -6.935 -15.000 1.00 0.28 O ATOM 41 C2' DG A 2 9.722 -6.506 -13.104 1.00 0.21 C ATOM 42 C1' DG A 2 10.710 -5.691 -12.310 1.00 0.18 C ATOM 43 N9 DG A 2 10.635 -5.693 -10.837 1.00 0.16 N ATOM 44 C8 DG A 2 9.663 -5.243 -9.991 1.00 0.17 C ATOM 45 N7 DG A 2 9.934 -5.405 -8.726 1.00 0.17 N ATOM 46 C5 DG A 2 11.186 -5.999 -8.722 1.00 0.13 C ATOM 47 C6 DG A 2 11.996 -6.411 -7.657 1.00 0.17 C ATOM 48 O6 DG A 2 11.795 -6.292 -6.471 1.00 0.18 O ATOM 49 N1 DG A 2 13.178 -6.976 -8.081 1.00 0.21 N ATOM 50 C2 DG A 2 13.548 -7.126 -9.400 1.00 0.19 C ATOM 51 N2 DG A 2 14.692 -7.675 -9.688 1.00 0.24 N ATOM 52 N3 DG A 2 12.800 -6.747 -10.426 1.00 0.17 N ATOM 53 C4 DG A 2 11.625 -6.190 -10.011 1.00 0.13 C ATOM 0 H5' DG A 2 9.789 -2.713 -15.029 1.00 0.28 H new ATOM 0 H5'' DG A 2 9.648 -3.956 -16.257 1.00 0.28 H new ATOM 0 H4' DG A 2 11.388 -4.467 -14.749 1.00 0.22 H new ATOM 0 H3' DG A 2 9.247 -6.364 -15.271 1.00 0.21 H new ATOM 0 H2' DG A 2 8.695 -6.246 -12.847 1.00 0.21 H new ATOM 0 H2'' DG A 2 9.839 -7.572 -12.911 1.00 0.21 H new ATOM 0 H1' DG A 2 11.729 -6.076 -12.359 1.00 0.18 H new ATOM 0 H8 DG A 2 8.746 -4.791 -10.340 1.00 0.17 H new ATOM 0 H1 DG A 2 13.827 -7.308 -7.367 1.00 0.21 H new ATOM 0 H21 DG A 2 14.972 -7.789 -10.662 1.00 0.24 H new ATOM 0 H22 DG A 2 15.309 -7.991 -8.940 1.00 0.24 H new ATOM 65 P DT A 3 11.062 -8.212 -15.970 1.00 0.23 P ATOM 66 OP1 DT A 3 12.170 -9.093 -15.555 1.00 0.31 O ATOM 67 OP2 DT A 3 11.009 -7.701 -17.346 1.00 0.25 O ATOM 68 O5' DT A 3 9.644 -8.944 -15.685 1.00 0.27 O ATOM 69 C5' DT A 3 9.338 -9.971 -14.768 1.00 0.28 C ATOM 70 C4' DT A 3 7.863 -10.022 -14.403 1.00 0.31 C ATOM 71 O4' DT A 3 7.012 -10.049 -15.557 1.00 0.33 O ATOM 72 C3' DT A 3 7.333 -8.791 -13.653 1.00 0.26 C ATOM 73 O3' DT A 3 7.660 -8.893 -12.252 1.00 0.32 O ATOM 74 C2' DT A 3 5.800 -8.875 -13.878 1.00 0.30 C ATOM 75 C1' DT A 3 5.926 -9.099 -15.395 1.00 0.31 C ATOM 76 N1 DT A 3 6.172 -7.860 -16.170 1.00 0.29 N ATOM 77 C2 DT A 3 5.442 -6.719 -15.867 1.00 0.40 C ATOM 78 O2 DT A 3 4.585 -6.687 -15.008 1.00 0.52 O ATOM 79 N3 DT A 3 5.714 -5.568 -16.603 1.00 0.44 N ATOM 80 C4 DT A 3 6.638 -5.472 -17.587 1.00 0.37 C ATOM 81 O4 DT A 3 6.826 -4.439 -18.209 1.00 0.46 O ATOM 82 C5 DT A 3 7.385 -6.700 -17.871 1.00 0.28 C ATOM 83 C7 DT A 3 8.450 -6.700 -18.949 1.00 0.33 C ATOM 84 C6 DT A 3 7.107 -7.829 -17.148 1.00 0.29 C ATOM 0 H5' DT A 3 9.926 -9.828 -13.861 1.00 0.28 H new ATOM 0 H5'' DT A 3 9.635 -10.930 -15.193 1.00 0.28 H new ATOM 0 H4' DT A 3 7.828 -10.922 -13.789 1.00 0.31 H new ATOM 0 H3' DT A 3 7.757 -7.848 -13.997 1.00 0.26 H new ATOM 0 H2' DT A 3 5.320 -9.698 -13.348 1.00 0.30 H new ATOM 0 H2'' DT A 3 5.263 -7.966 -13.608 1.00 0.30 H new ATOM 0 H1' DT A 3 4.982 -9.470 -15.794 1.00 0.31 H new ATOM 0 H3 DT A 3 5.174 -4.731 -16.383 1.00 0.44 H new ATOM 0 H71 DT A 3 8.188 -5.975 -19.719 1.00 0.33 H new ATOM 0 H72 DT A 3 9.411 -6.432 -18.511 1.00 0.33 H new ATOM 0 H73 DT A 3 8.518 -7.693 -19.393 1.00 0.33 H new ATOM 0 H6 DT A 3 7.657 -8.732 -17.367 1.00 0.29 H new ATOM 97 P DT A 4 7.263 -7.772 -11.121 1.00 0.28 P ATOM 98 OP1 DT A 4 7.178 -6.451 -11.785 1.00 0.33 O ATOM 99 OP2 DT A 4 8.162 -7.970 -9.969 1.00 0.31 O ATOM 100 O5' DT A 4 5.723 -8.115 -10.661 1.00 0.26 O ATOM 101 C5' DT A 4 5.211 -9.301 -10.038 1.00 0.22 C ATOM 102 C4' DT A 4 5.740 -9.540 -8.605 1.00 0.22 C ATOM 103 O4' DT A 4 7.133 -9.927 -8.554 1.00 0.31 O ATOM 104 C3' DT A 4 5.553 -8.270 -7.755 1.00 0.19 C ATOM 105 O3' DT A 4 4.729 -8.338 -6.606 1.00 0.23 O ATOM 106 C2' DT A 4 7.027 -8.070 -7.364 1.00 0.21 C ATOM 107 C1' DT A 4 7.649 -9.432 -7.304 1.00 0.28 C ATOM 108 N1 DT A 4 9.132 -9.437 -7.310 1.00 0.27 N ATOM 109 C2 DT A 4 9.796 -8.924 -6.207 1.00 0.30 C ATOM 110 O2 DT A 4 9.282 -8.456 -5.205 1.00 0.42 O ATOM 111 N3 DT A 4 11.163 -8.962 -6.270 1.00 0.32 N ATOM 112 C4 DT A 4 11.936 -9.440 -7.291 1.00 0.30 C ATOM 113 O4 DT A 4 13.142 -9.389 -7.172 1.00 0.31 O ATOM 114 C5 DT A 4 11.199 -9.943 -8.386 1.00 0.38 C ATOM 115 C7 DT A 4 11.942 -10.509 -9.581 1.00 0.58 C ATOM 116 C6 DT A 4 9.840 -9.929 -8.370 1.00 0.35 C ATOM 0 H5' DT A 4 5.466 -10.162 -10.656 1.00 0.22 H new ATOM 0 H5'' DT A 4 4.123 -9.241 -10.007 1.00 0.22 H new ATOM 0 H4' DT A 4 5.157 -10.371 -8.209 1.00 0.22 H new ATOM 0 H3' DT A 4 5.027 -7.485 -8.298 1.00 0.19 H new ATOM 0 H2' DT A 4 7.539 -7.443 -8.094 1.00 0.21 H new ATOM 0 H2'' DT A 4 7.106 -7.566 -6.401 1.00 0.21 H new ATOM 0 H1' DT A 4 7.423 -9.991 -6.396 1.00 0.28 H new ATOM 0 H3 DT A 4 11.662 -8.591 -5.462 1.00 0.32 H new ATOM 0 H71 DT A 4 11.339 -11.288 -10.049 1.00 0.58 H new ATOM 0 H72 DT A 4 12.131 -9.714 -10.302 1.00 0.58 H new ATOM 0 H73 DT A 4 12.891 -10.933 -9.252 1.00 0.58 H new ATOM 0 H6 DT A 4 9.303 -10.319 -9.222 1.00 0.35 H new ATOM 129 P DG A 5 4.180 -6.974 -5.923 1.00 0.25 P ATOM 130 OP1 DG A 5 2.722 -6.877 -6.132 1.00 0.32 O ATOM 131 OP2 DG A 5 5.070 -5.884 -6.359 1.00 0.29 O ATOM 132 O5' DG A 5 4.488 -7.271 -4.379 1.00 0.34 O ATOM 133 C5' DG A 5 3.518 -7.381 -3.319 1.00 0.37 C ATOM 134 C4' DG A 5 3.678 -6.300 -2.232 1.00 0.34 C ATOM 135 O4' DG A 5 5.042 -6.336 -1.752 1.00 0.41 O ATOM 136 C3' DG A 5 3.446 -4.882 -2.742 1.00 0.30 C ATOM 137 O3' DG A 5 3.154 -3.925 -1.717 1.00 0.36 O ATOM 138 C2' DG A 5 4.868 -4.688 -3.162 1.00 0.32 C ATOM 139 C1' DG A 5 5.660 -5.085 -1.947 1.00 0.40 C ATOM 140 N9 DG A 5 7.121 -5.185 -2.126 1.00 0.38 N ATOM 141 C8 DG A 5 8.070 -5.248 -1.136 1.00 0.47 C ATOM 142 N7 DG A 5 9.281 -5.326 -1.594 1.00 0.50 N ATOM 143 C5 DG A 5 9.140 -5.313 -2.974 1.00 0.39 C ATOM 144 C6 DG A 5 10.133 -5.375 -3.987 1.00 0.38 C ATOM 145 O6 DG A 5 11.346 -5.438 -3.856 1.00 0.44 O ATOM 146 N1 DG A 5 9.582 -5.342 -5.219 1.00 0.27 N ATOM 147 C2 DG A 5 8.244 -5.257 -5.474 1.00 0.24 C ATOM 148 N2 DG A 5 7.871 -5.269 -6.741 1.00 0.26 N ATOM 149 N3 DG A 5 7.310 -5.194 -4.540 1.00 0.28 N ATOM 150 C4 DG A 5 7.824 -5.227 -3.309 1.00 0.32 C ATOM 0 H5' DG A 5 3.603 -8.365 -2.858 1.00 0.37 H new ATOM 0 H5'' DG A 5 2.516 -7.314 -3.744 1.00 0.37 H new ATOM 0 H4' DG A 5 2.935 -6.521 -1.466 1.00 0.34 H new ATOM 0 H3' DG A 5 2.623 -4.761 -3.446 1.00 0.30 H new ATOM 0 H2' DG A 5 5.119 -5.308 -4.023 1.00 0.32 H new ATOM 0 H2'' DG A 5 5.063 -3.654 -3.446 1.00 0.32 H new ATOM 0 H1' DG A 5 5.634 -4.368 -1.127 1.00 0.40 H new ATOM 0 H8 DG A 5 7.832 -5.234 -0.083 1.00 0.47 H new ATOM 0 H1 DG A 5 10.213 -5.384 -6.019 1.00 0.27 H new ATOM 0 H21 DG A 5 6.882 -5.208 -6.982 1.00 0.26 H new ATOM 0 H22 DG A 5 8.572 -5.340 -7.478 1.00 0.26 H new ATOM 162 P DG A 6 2.898 -2.375 -2.007 1.00 0.35 P ATOM 163 OP1 DG A 6 1.518 -2.268 -2.453 1.00 0.41 O ATOM 164 OP2 DG A 6 3.995 -1.855 -2.848 1.00 0.37 O ATOM 165 O5' DG A 6 2.965 -1.749 -0.547 1.00 0.50 O ATOM 166 C5' DG A 6 3.537 -0.481 -0.234 1.00 0.36 C ATOM 167 C4' DG A 6 4.944 -0.639 0.241 1.00 0.21 C ATOM 168 O4' DG A 6 5.843 -1.172 -0.733 1.00 0.23 O ATOM 169 C3' DG A 6 5.550 0.680 0.721 1.00 0.21 C ATOM 170 O3' DG A 6 6.136 0.582 2.023 1.00 0.28 O ATOM 171 C2' DG A 6 6.591 0.911 -0.402 1.00 0.23 C ATOM 172 C1' DG A 6 7.100 -0.501 -0.685 1.00 0.20 C ATOM 173 N9 DG A 6 7.848 -0.815 -1.924 1.00 0.17 N ATOM 174 C8 DG A 6 7.361 -1.000 -3.202 1.00 0.17 C ATOM 175 N7 DG A 6 8.275 -1.310 -4.082 1.00 0.20 N ATOM 176 C5 DG A 6 9.458 -1.330 -3.350 1.00 0.18 C ATOM 177 C6 DG A 6 10.797 -1.601 -3.756 1.00 0.20 C ATOM 178 O6 DG A 6 11.207 -1.930 -4.865 1.00 0.24 O ATOM 179 N1 DG A 6 11.676 -1.505 -2.710 1.00 0.20 N ATOM 180 C2 DG A 6 11.327 -1.191 -1.417 1.00 0.19 C ATOM 181 N2 DG A 6 12.296 -1.117 -0.532 1.00 0.23 N ATOM 182 N3 DG A 6 10.081 -0.943 -1.024 1.00 0.19 N ATOM 183 C4 DG A 6 9.204 -1.028 -2.040 1.00 0.17 C ATOM 0 H5' DG A 6 2.942 0.012 0.534 1.00 0.36 H new ATOM 0 H5'' DG A 6 3.515 0.161 -1.115 1.00 0.36 H new ATOM 0 H4' DG A 6 4.844 -1.351 1.061 1.00 0.21 H new ATOM 0 H3' DG A 6 4.837 1.494 0.856 1.00 0.21 H new ATOM 0 H2' DG A 6 6.140 1.363 -1.285 1.00 0.23 H new ATOM 0 H2'' DG A 6 7.394 1.574 -0.079 1.00 0.23 H new ATOM 0 H1' DG A 6 7.862 -0.760 0.050 1.00 0.20 H new ATOM 0 H8 DG A 6 6.315 -0.897 -3.453 1.00 0.17 H new ATOM 0 H1 DG A 6 12.662 -1.679 -2.904 1.00 0.20 H new ATOM 0 H21 DG A 6 12.084 -0.887 0.439 1.00 0.23 H new ATOM 0 H22 DG A 6 13.260 -1.290 -0.816 1.00 0.23 H new ATOM 195 P DT A 7 5.326 0.115 3.358 1.00 0.37 P ATOM 196 OP1 DT A 7 4.826 -1.253 3.162 1.00 0.39 O ATOM 197 OP2 DT A 7 4.380 1.180 3.748 1.00 0.51 O ATOM 198 O5' DT A 7 6.496 0.030 4.492 1.00 0.39 O ATOM 199 C5' DT A 7 7.270 -1.149 4.796 1.00 0.33 C ATOM 200 C4' DT A 7 8.645 -1.149 4.124 1.00 0.24 C ATOM 201 O4' DT A 7 9.500 -2.299 4.453 1.00 0.24 O ATOM 202 C3' DT A 7 8.590 -1.118 2.587 1.00 0.23 C ATOM 203 O3' DT A 7 8.945 0.141 2.005 1.00 0.27 O ATOM 204 C2' DT A 7 9.528 -2.268 2.276 1.00 0.22 C ATOM 205 C1' DT A 7 10.498 -2.374 3.453 1.00 0.20 C ATOM 206 N1 DT A 7 11.339 -3.622 3.414 1.00 0.19 N ATOM 207 C2 DT A 7 12.205 -3.794 2.354 1.00 0.15 C ATOM 208 O2 DT A 7 12.310 -2.990 1.446 1.00 0.22 O ATOM 209 N3 DT A 7 12.960 -4.927 2.362 1.00 0.14 N ATOM 210 C4 DT A 7 12.946 -5.919 3.323 1.00 0.18 C ATOM 211 O4 DT A 7 13.681 -6.893 3.178 1.00 0.23 O ATOM 212 C5 DT A 7 12.010 -5.656 4.396 1.00 0.24 C ATOM 213 C7 DT A 7 11.874 -6.656 5.559 1.00 0.36 C ATOM 214 C6 DT A 7 11.259 -4.558 4.410 1.00 0.23 C ATOM 0 H5' DT A 7 6.716 -2.033 4.479 1.00 0.33 H new ATOM 0 H5'' DT A 7 7.399 -1.224 5.876 1.00 0.33 H new ATOM 0 H4' DT A 7 9.070 -0.231 4.529 1.00 0.24 H new ATOM 0 H3' DT A 7 7.594 -1.229 2.159 1.00 0.23 H new ATOM 0 H2' DT A 7 8.972 -3.197 2.148 1.00 0.22 H new ATOM 0 H2'' DT A 7 10.067 -2.088 1.346 1.00 0.22 H new ATOM 0 H1' DT A 7 11.303 -1.645 3.545 1.00 0.20 H new ATOM 0 H3 DT A 7 13.601 -5.056 1.579 1.00 0.14 H new ATOM 0 H71 DT A 7 12.094 -7.662 5.201 1.00 0.36 H new ATOM 0 H72 DT A 7 12.575 -6.391 6.351 1.00 0.36 H new ATOM 0 H73 DT A 7 10.857 -6.624 5.949 1.00 0.36 H new ATOM 0 H6 DT A 7 10.570 -4.401 5.227 1.00 0.23 H new ATOM 227 P DG A 8 10.336 0.936 2.251 1.00 0.25 P ATOM 228 OP1 DG A 8 11.409 0.232 1.527 1.00 0.22 O ATOM 229 OP2 DG A 8 10.463 1.185 3.695 1.00 0.35 O ATOM 230 O5' DG A 8 10.001 2.332 1.541 1.00 0.27 O ATOM 231 C5' DG A 8 10.921 3.243 0.944 1.00 0.25 C ATOM 232 C4' DG A 8 11.724 2.589 -0.198 1.00 0.24 C ATOM 233 O4' DG A 8 10.763 2.004 -1.083 1.00 0.28 O ATOM 234 C3' DG A 8 12.561 3.575 -1.056 1.00 0.28 C ATOM 235 O3' DG A 8 12.925 4.803 -0.432 1.00 0.36 O ATOM 236 C2' DG A 8 11.606 3.752 -2.190 1.00 0.29 C ATOM 237 C1' DG A 8 11.051 2.349 -2.437 1.00 0.24 C ATOM 238 N9 DG A 8 9.819 2.218 -3.211 1.00 0.20 N ATOM 239 C8 DG A 8 8.525 2.594 -2.864 1.00 0.27 C ATOM 240 N7 DG A 8 7.659 2.324 -3.765 1.00 0.26 N ATOM 241 C5 DG A 8 8.381 1.738 -4.782 1.00 0.18 C ATOM 242 C6 DG A 8 7.932 1.242 -6.029 1.00 0.20 C ATOM 243 O6 DG A 8 6.804 1.206 -6.489 1.00 0.31 O ATOM 244 N1 DG A 8 8.973 0.736 -6.749 1.00 0.19 N ATOM 245 C2 DG A 8 10.277 0.705 -6.347 1.00 0.17 C ATOM 246 N2 DG A 8 11.119 0.157 -7.207 1.00 0.25 N ATOM 247 N3 DG A 8 10.724 1.160 -5.193 1.00 0.16 N ATOM 248 C4 DG A 8 9.712 1.669 -4.455 1.00 0.15 C ATOM 0 H5' DG A 8 11.609 3.614 1.704 1.00 0.25 H new ATOM 0 H5'' DG A 8 10.378 4.105 0.557 1.00 0.25 H new ATOM 0 H4' DG A 8 12.424 1.892 0.263 1.00 0.24 H new ATOM 0 H3' DG A 8 13.555 3.203 -1.305 1.00 0.28 H new ATOM 0 H2' DG A 8 10.813 4.455 -1.936 1.00 0.29 H new ATOM 0 H2'' DG A 8 12.107 4.143 -3.075 1.00 0.29 H new ATOM 0 H1' DG A 8 11.746 1.752 -3.028 1.00 0.24 H new ATOM 0 H8 DG A 8 8.277 3.067 -1.926 1.00 0.27 H new ATOM 0 H1 DG A 8 8.759 0.347 -7.667 1.00 0.19 H new ATOM 0 H21 DG A 8 12.112 0.096 -6.980 1.00 0.25 H new ATOM 0 H22 DG A 8 10.776 -0.205 -8.097 1.00 0.25 H new ATOM 260 P DT A 9 14.103 4.894 0.670 1.00 0.38 P ATOM 261 OP1 DT A 9 13.647 4.241 1.900 1.00 0.47 O ATOM 262 OP2 DT A 9 14.560 6.287 0.695 1.00 0.55 O ATOM 263 O5' DT A 9 15.264 4.037 0.029 1.00 0.29 O ATOM 264 C5' DT A 9 16.031 3.099 0.765 1.00 0.27 C ATOM 265 C4' DT A 9 16.819 2.184 -0.126 1.00 0.20 C ATOM 266 O4' DT A 9 15.956 1.466 -1.043 1.00 0.22 O ATOM 267 C3' DT A 9 17.878 2.943 -0.995 1.00 0.21 C ATOM 268 O3' DT A 9 19.112 2.218 -0.941 1.00 0.31 O ATOM 269 C2' DT A 9 17.159 2.827 -2.326 1.00 0.21 C ATOM 270 C1' DT A 9 16.605 1.432 -2.304 1.00 0.17 C ATOM 271 N1 DT A 9 15.825 1.071 -3.529 1.00 0.18 N ATOM 272 C2 DT A 9 14.421 1.128 -3.481 1.00 0.19 C ATOM 273 O2 DT A 9 13.753 1.450 -2.508 1.00 0.21 O ATOM 274 N3 DT A 9 13.768 0.784 -4.627 1.00 0.23 N ATOM 275 C4 DT A 9 14.342 0.399 -5.805 1.00 0.24 C ATOM 276 O4 DT A 9 13.656 0.105 -6.777 1.00 0.26 O ATOM 277 C5 DT A 9 15.794 0.366 -5.795 1.00 0.21 C ATOM 278 C7 DT A 9 16.586 -0.024 -7.036 1.00 0.21 C ATOM 279 C6 DT A 9 16.460 0.694 -4.687 1.00 0.19 C ATOM 0 H5' DT A 9 15.368 2.506 1.396 1.00 0.27 H new ATOM 0 H5'' DT A 9 16.712 3.631 1.429 1.00 0.27 H new ATOM 0 H4' DT A 9 17.327 1.499 0.553 1.00 0.20 H new ATOM 0 H3' DT A 9 18.153 3.962 -0.723 1.00 0.21 H new ATOM 0 H2' DT A 9 16.369 3.571 -2.421 1.00 0.21 H new ATOM 0 H2'' DT A 9 17.840 2.975 -3.164 1.00 0.21 H new ATOM 0 H1' DT A 9 17.313 0.606 -2.369 1.00 0.17 H new ATOM 0 H3 DT A 9 12.749 0.817 -4.602 1.00 0.23 H new ATOM 0 H71 DT A 9 16.003 -0.724 -7.634 1.00 0.21 H new ATOM 0 H72 DT A 9 16.800 0.867 -7.626 1.00 0.21 H new ATOM 0 H73 DT A 9 17.523 -0.494 -6.737 1.00 0.21 H new ATOM 0 H6 DT A 9 17.539 0.662 -4.701 1.00 0.19 H new ATOM 292 P DG A 10 20.201 1.971 -2.029 1.00 0.36 P ATOM 293 OP1 DG A 10 20.580 3.287 -2.538 1.00 0.45 O ATOM 294 OP2 DG A 10 19.729 0.973 -2.953 1.00 0.60 O ATOM 295 O5' DG A 10 21.418 1.364 -1.194 1.00 0.49 O ATOM 296 C5' DG A 10 21.516 -0.025 -0.841 1.00 0.44 C ATOM 297 C4' DG A 10 20.740 -0.432 0.410 1.00 0.34 C ATOM 298 O4' DG A 10 19.325 -0.192 0.241 1.00 0.26 O ATOM 299 C3' DG A 10 20.941 -1.929 0.682 1.00 0.27 C ATOM 300 O3' DG A 10 21.159 -2.309 2.047 1.00 0.29 O ATOM 301 C2' DG A 10 19.597 -2.398 0.215 1.00 0.24 C ATOM 302 C1' DG A 10 18.590 -1.365 0.686 1.00 0.23 C ATOM 303 N9 DG A 10 17.275 -1.488 0.004 1.00 0.20 N ATOM 304 C8 DG A 10 15.995 -1.399 0.478 1.00 0.20 C ATOM 305 N7 DG A 10 15.062 -1.526 -0.436 1.00 0.17 N ATOM 306 C5 DG A 10 15.776 -1.731 -1.600 1.00 0.18 C ATOM 307 C6 DG A 10 15.333 -1.933 -2.925 1.00 0.21 C ATOM 308 O6 DG A 10 14.191 -2.013 -3.341 1.00 0.23 O ATOM 309 N1 DG A 10 16.383 -2.089 -3.818 1.00 0.26 N ATOM 310 C2 DG A 10 17.711 -2.054 -3.462 1.00 0.25 C ATOM 311 N2 DG A 10 18.627 -2.177 -4.380 1.00 0.33 N ATOM 312 N3 DG A 10 18.141 -1.861 -2.229 1.00 0.21 N ATOM 313 C4 DG A 10 17.122 -1.709 -1.344 1.00 0.19 C ATOM 0 H5' DG A 10 22.567 -0.273 -0.694 1.00 0.44 H new ATOM 0 H5'' DG A 10 21.161 -0.623 -1.680 1.00 0.44 H new ATOM 0 H4' DG A 10 21.113 0.164 1.243 1.00 0.34 H new ATOM 0 H3' DG A 10 21.835 -2.335 0.209 1.00 0.27 H new ATOM 0 H2' DG A 10 19.576 -2.493 -0.871 1.00 0.24 H new ATOM 0 H2'' DG A 10 19.365 -3.381 0.626 1.00 0.24 H new ATOM 0 H1' DG A 10 18.311 -1.407 1.739 1.00 0.23 H new ATOM 0 H8 DG A 10 15.770 -1.237 1.522 1.00 0.20 H new ATOM 0 H1 DG A 10 16.156 -2.239 -4.801 1.00 0.26 H new ATOM 0 H21 DG A 10 19.614 -2.152 -4.123 1.00 0.33 H new ATOM 0 H22 DG A 10 18.358 -2.298 -5.356 1.00 0.33 H new ATOM 325 P DG A 11 21.257 -3.859 2.467 1.00 0.28 P ATOM 326 OP1 DG A 11 21.975 -3.964 3.753 1.00 0.34 O ATOM 327 OP2 DG A 11 21.747 -4.585 1.287 1.00 0.32 O ATOM 328 O5' DG A 11 19.713 -4.201 2.698 1.00 0.21 O ATOM 329 C5' DG A 11 18.935 -3.551 3.714 1.00 0.21 C ATOM 330 C4' DG A 11 17.470 -3.990 3.652 1.00 0.21 C ATOM 331 O4' DG A 11 16.955 -3.755 2.319 1.00 0.25 O ATOM 332 C3' DG A 11 17.358 -5.497 3.912 1.00 0.18 C ATOM 333 O3' DG A 11 16.125 -5.980 4.455 1.00 0.22 O ATOM 334 C2' DG A 11 17.426 -5.955 2.448 1.00 0.19 C ATOM 335 C1' DG A 11 16.501 -4.999 1.767 1.00 0.17 C ATOM 336 N9 DG A 11 16.438 -4.999 0.297 1.00 0.16 N ATOM 337 C8 DG A 11 17.450 -4.985 -0.636 1.00 0.20 C ATOM 338 N7 DG A 11 17.037 -5.006 -1.870 1.00 0.22 N ATOM 339 C5 DG A 11 15.661 -5.042 -1.735 1.00 0.17 C ATOM 340 C6 DG A 11 14.680 -5.083 -2.740 1.00 0.19 C ATOM 341 O6 DG A 11 14.864 -5.093 -3.952 1.00 0.24 O ATOM 342 N1 DG A 11 13.416 -5.115 -2.213 1.00 0.19 N ATOM 343 C2 DG A 11 13.115 -5.102 -0.883 1.00 0.19 C ATOM 344 N2 DG A 11 11.847 -5.140 -0.527 1.00 0.25 N ATOM 345 N3 DG A 11 14.040 -5.061 0.078 1.00 0.18 N ATOM 346 C4 DG A 11 15.288 -5.033 -0.423 1.00 0.15 C ATOM 0 H5' DG A 11 18.999 -2.470 3.590 1.00 0.21 H new ATOM 0 H5'' DG A 11 19.346 -3.784 4.696 1.00 0.21 H new ATOM 0 H4' DG A 11 16.913 -3.427 4.401 1.00 0.21 H new ATOM 0 H3' DG A 11 18.090 -5.838 4.644 1.00 0.18 H new ATOM 0 H2' DG A 11 18.439 -5.893 2.050 1.00 0.19 H new ATOM 0 H2'' DG A 11 17.100 -6.988 2.331 1.00 0.19 H new ATOM 0 H1' DG A 11 15.460 -5.264 1.952 1.00 0.17 H new ATOM 0 H8 DG A 11 18.496 -4.959 -0.367 1.00 0.20 H new ATOM 0 H1 DG A 11 12.636 -5.152 -2.869 1.00 0.19 H new ATOM 0 H21 DG A 11 11.594 -5.131 0.461 1.00 0.25 H new ATOM 0 H22 DG A 11 11.118 -5.178 -1.240 1.00 0.25 H new ATOM 358 P DT A 12 16.160 -7.196 5.521 1.00 0.25 P ATOM 359 OP1 DT A 12 14.886 -7.924 5.452 1.00 0.36 O ATOM 360 OP2 DT A 12 16.614 -6.679 6.820 1.00 0.34 O ATOM 361 O5' DT A 12 17.330 -8.139 4.936 1.00 0.27 O ATOM 362 C5' DT A 12 17.117 -9.312 4.134 1.00 0.34 C ATOM 363 C4' DT A 12 18.387 -9.788 3.444 1.00 0.33 C ATOM 364 O4' DT A 12 19.361 -9.965 4.449 1.00 0.41 O ATOM 365 C3' DT A 12 19.055 -8.787 2.507 1.00 0.31 C ATOM 366 O3' DT A 12 18.527 -8.932 1.206 1.00 0.32 O ATOM 367 C2' DT A 12 20.550 -9.248 2.605 1.00 0.40 C ATOM 368 C1' DT A 12 20.590 -9.281 4.137 1.00 0.40 C ATOM 369 N1 DT A 12 20.707 -8.015 4.888 1.00 0.35 N ATOM 370 C2 DT A 12 21.440 -6.972 4.370 1.00 0.33 C ATOM 371 O2 DT A 12 22.059 -7.050 3.319 1.00 0.40 O ATOM 372 N3 DT A 12 21.480 -5.795 5.126 1.00 0.31 N ATOM 373 C4 DT A 12 20.876 -5.581 6.320 1.00 0.32 C ATOM 374 O4 DT A 12 20.993 -4.493 6.856 1.00 0.31 O ATOM 375 C5 DT A 12 20.132 -6.706 6.818 1.00 0.36 C ATOM 376 C7 DT A 12 19.418 -6.637 8.154 1.00 0.48 C ATOM 377 C6 DT A 12 20.076 -7.851 6.097 1.00 0.37 C ATOM 0 H5' DT A 12 16.357 -9.100 3.382 1.00 0.34 H new ATOM 0 H5'' DT A 12 16.728 -10.112 4.764 1.00 0.34 H new ATOM 0 H4' DT A 12 18.082 -10.664 2.871 1.00 0.33 H new ATOM 0 H3' DT A 12 18.913 -7.734 2.752 1.00 0.31 H new ATOM 0 H2' DT A 12 20.739 -10.217 2.143 1.00 0.40 H new ATOM 0 H2'' DT A 12 21.254 -8.542 2.165 1.00 0.40 H new ATOM 0 H1' DT A 12 21.520 -9.751 4.456 1.00 0.40 H new ATOM 0 H3 DT A 12 22.018 -5.020 4.739 1.00 0.31 H new ATOM 0 H71 DT A 12 18.539 -7.281 8.130 1.00 0.48 H new ATOM 0 H72 DT A 12 20.091 -6.971 8.944 1.00 0.48 H new ATOM 0 H73 DT A 12 19.111 -5.610 8.350 1.00 0.48 H new ATOM 0 H6 DT A 12 19.506 -8.678 6.493 1.00 0.37 H new ATOM 390 P DT A 13 18.964 -8.058 -0.069 1.00 0.30 P ATOM 391 OP1 DT A 13 19.464 -6.738 0.381 1.00 0.37 O ATOM 392 OP2 DT A 13 17.853 -8.119 -1.038 1.00 0.32 O ATOM 393 O5' DT A 13 20.228 -8.949 -0.566 1.00 0.34 O ATOM 394 C5' DT A 13 20.355 -10.374 -0.701 1.00 0.28 C ATOM 395 C4' DT A 13 19.769 -10.938 -1.998 1.00 0.22 C ATOM 396 O4' DT A 13 18.349 -10.753 -2.085 1.00 0.23 O ATOM 397 C3' DT A 13 20.345 -10.368 -3.309 1.00 0.27 C ATOM 398 O3' DT A 13 20.732 -11.489 -4.118 1.00 0.31 O ATOM 399 C2' DT A 13 19.125 -9.668 -3.850 1.00 0.30 C ATOM 400 C1' DT A 13 17.968 -10.527 -3.443 1.00 0.25 C ATOM 401 N1 DT A 13 16.617 -9.952 -3.625 1.00 0.26 N ATOM 402 C2 DT A 13 16.052 -9.955 -4.895 1.00 0.27 C ATOM 403 O2 DT A 13 16.640 -10.372 -5.878 1.00 0.31 O ATOM 404 N3 DT A 13 14.786 -9.453 -5.003 1.00 0.29 N ATOM 405 C4 DT A 13 14.030 -8.940 -3.988 1.00 0.33 C ATOM 406 O4 DT A 13 12.894 -8.529 -4.244 1.00 0.43 O ATOM 407 C5 DT A 13 14.694 -8.952 -2.689 1.00 0.33 C ATOM 408 C7 DT A 13 13.989 -8.376 -1.453 1.00 0.41 C ATOM 409 C6 DT A 13 15.910 -9.439 -2.555 1.00 0.30 C ATOM 0 H5' DT A 13 19.862 -10.853 0.145 1.00 0.28 H new ATOM 0 H5'' DT A 13 21.411 -10.640 -0.647 1.00 0.28 H new ATOM 0 H4' DT A 13 20.051 -11.988 -1.920 1.00 0.22 H new ATOM 0 H3' DT A 13 21.215 -9.715 -3.241 1.00 0.27 H new ATOM 0 H2' DT A 13 19.033 -8.663 -3.439 1.00 0.30 H new ATOM 0 H2'' DT A 13 19.178 -9.566 -4.934 1.00 0.30 H new ATOM 0 H1' DT A 13 17.828 -11.416 -4.058 1.00 0.25 H new ATOM 0 H3 DT A 13 14.365 -9.462 -5.932 1.00 0.29 H new ATOM 0 H71 DT A 13 13.317 -7.574 -1.758 1.00 0.41 H new ATOM 0 H72 DT A 13 13.416 -9.162 -0.961 1.00 0.41 H new ATOM 0 H73 DT A 13 14.733 -7.982 -0.761 1.00 0.41 H new ATOM 0 H6 DT A 13 16.369 -9.437 -1.577 1.00 0.30 H new ATOM 422 P DG A 14 22.060 -11.604 -4.985 1.00 0.24 P ATOM 423 OP1 DG A 14 22.536 -12.976 -4.980 1.00 0.40 O ATOM 424 OP2 DG A 14 22.959 -10.541 -4.595 1.00 0.49 O ATOM 425 O5' DG A 14 21.587 -11.284 -6.466 1.00 0.37 O ATOM 426 C5' DG A 14 22.393 -11.219 -7.663 1.00 0.33 C ATOM 427 C4' DG A 14 22.240 -9.879 -8.390 1.00 0.28 C ATOM 428 O4' DG A 14 20.848 -9.592 -8.700 1.00 0.30 O ATOM 429 C3' DG A 14 22.757 -8.706 -7.549 1.00 0.26 C ATOM 430 O3' DG A 14 23.095 -7.637 -8.451 1.00 0.25 O ATOM 431 C2' DG A 14 21.436 -8.419 -6.858 1.00 0.24 C ATOM 432 C1' DG A 14 20.521 -8.353 -8.054 1.00 0.25 C ATOM 433 N9 DG A 14 19.097 -8.158 -7.837 1.00 0.24 N ATOM 434 C8 DG A 14 18.067 -8.608 -8.614 1.00 0.30 C ATOM 435 N7 DG A 14 16.900 -8.283 -8.172 1.00 0.30 N ATOM 436 C5 DG A 14 17.174 -7.568 -7.019 1.00 0.23 C ATOM 437 C6 DG A 14 16.293 -6.963 -6.109 1.00 0.26 C ATOM 438 O6 DG A 14 15.069 -6.957 -6.151 1.00 0.32 O ATOM 439 N1 DG A 14 16.971 -6.346 -5.087 1.00 0.25 N ATOM 440 C2 DG A 14 18.338 -6.318 -4.953 1.00 0.20 C ATOM 441 N2 DG A 14 18.847 -5.708 -3.895 1.00 0.25 N ATOM 442 N3 DG A 14 19.178 -6.881 -5.801 1.00 0.15 N ATOM 443 C4 DG A 14 18.520 -7.488 -6.807 1.00 0.18 C ATOM 0 H5' DG A 14 22.110 -12.029 -8.335 1.00 0.33 H new ATOM 0 H5'' DG A 14 23.440 -11.372 -7.403 1.00 0.33 H new ATOM 0 H4' DG A 14 22.826 -9.978 -9.304 1.00 0.28 H new ATOM 0 H3' DG A 14 23.625 -8.855 -6.906 1.00 0.26 H new ATOM 0 H2' DG A 14 21.152 -9.206 -6.159 1.00 0.24 H new ATOM 0 H2'' DG A 14 21.454 -7.485 -6.296 1.00 0.24 H new ATOM 0 H1' DG A 14 20.691 -7.445 -8.633 1.00 0.25 H new ATOM 0 H8 DG A 14 18.217 -9.183 -9.516 1.00 0.30 H new ATOM 0 H1 DG A 14 16.418 -5.872 -4.373 1.00 0.25 H new ATOM 0 H21 DG A 14 19.858 -5.669 -3.766 1.00 0.25 H new ATOM 0 H22 DG A 14 18.228 -5.276 -3.209 1.00 0.25 H new ATOM 455 P DG A 15 23.804 -6.280 -8.010 1.00 0.29 P ATOM 456 OP1 DG A 15 25.107 -6.660 -7.456 1.00 0.37 O ATOM 457 OP2 DG A 15 22.872 -5.465 -7.217 1.00 0.30 O ATOM 458 O5' DG A 15 24.065 -5.520 -9.427 1.00 0.34 O ATOM 459 C5' DG A 15 23.087 -5.011 -10.362 1.00 0.39 C ATOM 460 C4' DG A 15 21.866 -5.917 -10.550 1.00 0.38 C ATOM 461 O4' DG A 15 21.046 -5.847 -9.356 1.00 0.33 O ATOM 462 C3' DG A 15 20.928 -5.520 -11.703 1.00 0.48 C ATOM 463 O3' DG A 15 20.135 -6.648 -12.076 1.00 0.59 O ATOM 464 C2' DG A 15 20.058 -4.551 -10.960 1.00 0.40 C ATOM 465 C1' DG A 15 19.713 -5.431 -9.707 1.00 0.32 C ATOM 466 N9 DG A 15 19.033 -4.731 -8.590 1.00 0.24 N ATOM 467 C8 DG A 15 19.531 -4.223 -7.411 1.00 0.23 C ATOM 468 N7 DG A 15 18.618 -3.647 -6.674 1.00 0.20 N ATOM 469 C5 DG A 15 17.447 -3.781 -7.397 1.00 0.17 C ATOM 470 C6 DG A 15 16.123 -3.346 -7.091 1.00 0.19 C ATOM 471 O6 DG A 15 15.703 -2.754 -6.103 1.00 0.25 O ATOM 472 N1 DG A 15 15.239 -3.679 -8.081 1.00 0.20 N ATOM 473 C2 DG A 15 15.565 -4.342 -9.232 1.00 0.18 C ATOM 474 N2 DG A 15 14.566 -4.534 -10.056 1.00 0.22 N ATOM 475 N3 DG A 15 16.794 -4.760 -9.537 1.00 0.20 N ATOM 476 C4 DG A 15 17.689 -4.441 -8.568 1.00 0.19 C ATOM 0 H5' DG A 15 23.568 -4.863 -11.329 1.00 0.39 H new ATOM 0 H5'' DG A 15 22.750 -4.032 -10.021 1.00 0.39 H new ATOM 0 H4' DG A 15 22.281 -6.902 -10.766 1.00 0.38 H new ATOM 0 H3' DG A 15 21.411 -5.151 -12.608 1.00 0.48 H new ATOM 0 H2' DG A 15 20.582 -3.632 -10.697 1.00 0.40 H new ATOM 0 H2'' DG A 15 19.173 -4.262 -11.526 1.00 0.40 H new ATOM 0 HO3' DG A 15 19.535 -6.398 -12.809 1.00 0.59 H new ATOM 0 H1' DG A 15 18.987 -6.217 -9.917 1.00 0.32 H new ATOM 0 H8 DG A 15 20.570 -4.293 -7.124 1.00 0.23 H new ATOM 0 H1 DG A 15 14.263 -3.413 -7.951 1.00 0.20 H new ATOM 0 H21 DG A 15 14.720 -5.021 -10.939 1.00 0.22 H new ATOM 0 H22 DG A 15 13.634 -4.197 -9.815 1.00 0.22 H new TER 489 DG A 15