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 -123:sc= 0.65 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.289 (180deg=-1.01) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.123 (180deg=-0.123) 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=-0.435) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.325 2.683 -11.835 1.00 0.38 O ATOM 2 C5' DG A 1 9.305 2.476 -13.254 1.00 0.27 C ATOM 3 C4' DG A 1 9.552 1.031 -13.713 1.00 0.19 C ATOM 4 O4' DG A 1 10.821 0.516 -13.228 1.00 0.21 O ATOM 5 C3' DG A 1 8.449 0.081 -13.171 1.00 0.18 C ATOM 6 O3' DG A 1 8.126 -0.989 -14.077 1.00 0.18 O ATOM 7 C2' DG A 1 9.232 -0.390 -11.965 1.00 0.17 C ATOM 8 C1' DG A 1 10.568 -0.759 -12.572 1.00 0.20 C ATOM 9 N9 DG A 1 11.625 -1.172 -11.631 1.00 0.17 N ATOM 10 C8 DG A 1 12.971 -1.169 -11.833 1.00 0.20 C ATOM 11 N7 DG A 1 13.647 -1.560 -10.776 1.00 0.19 N ATOM 12 C5 DG A 1 12.665 -1.834 -9.822 1.00 0.14 C ATOM 13 C6 DG A 1 12.782 -2.288 -8.501 1.00 0.15 C ATOM 14 O6 DG A 1 13.809 -2.545 -7.895 1.00 0.19 O ATOM 15 N1 DG A 1 11.552 -2.426 -7.909 1.00 0.13 N ATOM 16 C2 DG A 1 10.343 -2.161 -8.529 1.00 0.12 C ATOM 17 N2 DG A 1 9.209 -2.315 -7.866 1.00 0.18 N ATOM 18 N3 DG A 1 10.221 -1.733 -9.775 1.00 0.12 N ATOM 19 C4 DG A 1 11.430 -1.600 -10.349 1.00 0.13 C ATOM 0 H5' DG A 1 10.060 3.118 -13.708 1.00 0.27 H new ATOM 0 H5'' DG A 1 8.338 2.801 -13.638 1.00 0.27 H new ATOM 0 H4' DG A 1 9.549 1.059 -14.803 1.00 0.19 H new ATOM 0 H3' DG A 1 7.465 0.516 -12.993 1.00 0.18 H new ATOM 0 H2' DG A 1 9.329 0.393 -11.212 1.00 0.17 H new ATOM 0 H2'' DG A 1 8.757 -1.242 -11.479 1.00 0.17 H new ATOM 0 HO5' DG A 1 8.473 3.075 -11.550 1.00 0.38 H new ATOM 0 H1' DG A 1 10.560 -1.651 -13.198 1.00 0.20 H new ATOM 0 H8 DG A 1 13.434 -0.876 -12.764 1.00 0.20 H new ATOM 0 H1 DG A 1 11.527 -2.747 -6.941 1.00 0.13 H new ATOM 0 H21 DG A 1 8.319 -2.119 -8.325 1.00 0.18 H new ATOM 0 H22 DG A 1 9.224 -2.630 -6.896 1.00 0.18 H new ATOM 32 P DG A 2 7.133 -2.187 -13.661 1.00 0.14 P ATOM 33 OP1 DG A 2 6.319 -2.585 -14.835 1.00 0.22 O ATOM 34 OP2 DG A 2 6.475 -1.842 -12.380 1.00 0.17 O ATOM 35 O5' DG A 2 8.234 -3.355 -13.374 1.00 0.19 O ATOM 36 C5' DG A 2 9.102 -3.907 -14.380 1.00 0.19 C ATOM 37 C4' DG A 2 9.858 -5.168 -13.909 1.00 0.18 C ATOM 38 O4' DG A 2 10.614 -4.851 -12.707 1.00 0.17 O ATOM 39 C3' DG A 2 8.902 -6.347 -13.581 1.00 0.15 C ATOM 40 O3' DG A 2 9.350 -7.685 -13.913 1.00 0.20 O ATOM 41 C2' DG A 2 8.829 -6.085 -12.084 1.00 0.13 C ATOM 42 C1' DG A 2 10.262 -5.795 -11.678 1.00 0.17 C ATOM 43 N9 DG A 2 10.556 -5.537 -10.246 1.00 0.16 N ATOM 44 C8 DG A 2 9.673 -5.275 -9.203 1.00 0.18 C ATOM 45 N7 DG A 2 10.237 -5.200 -8.047 1.00 0.18 N ATOM 46 C5 DG A 2 11.585 -5.414 -8.328 1.00 0.16 C ATOM 47 C6 DG A 2 12.662 -5.440 -7.447 1.00 0.17 C ATOM 48 O6 DG A 2 12.596 -5.320 -6.237 1.00 0.18 O ATOM 49 N1 DG A 2 13.859 -5.670 -8.090 1.00 0.20 N ATOM 50 C2 DG A 2 14.012 -5.867 -9.441 1.00 0.20 C ATOM 51 N2 DG A 2 15.252 -6.073 -9.882 1.00 0.25 N ATOM 52 N3 DG A 2 12.991 -5.849 -10.291 1.00 0.17 N ATOM 53 C4 DG A 2 11.808 -5.612 -9.662 1.00 0.15 C ATOM 0 H5' DG A 2 9.825 -3.149 -14.681 1.00 0.19 H new ATOM 0 H5'' DG A 2 8.513 -4.154 -15.263 1.00 0.19 H new ATOM 0 H4' DG A 2 10.511 -5.475 -14.726 1.00 0.18 H new ATOM 0 H3' DG A 2 7.976 -6.356 -14.155 1.00 0.15 H new ATOM 0 H2' DG A 2 8.175 -5.242 -11.860 1.00 0.13 H new ATOM 0 H2'' DG A 2 8.432 -6.948 -11.549 1.00 0.13 H new ATOM 0 H1' DG A 2 10.936 -6.652 -11.655 1.00 0.17 H new ATOM 0 H8 DG A 2 8.611 -5.146 -9.349 1.00 0.18 H new ATOM 0 H1 DG A 2 14.701 -5.696 -7.515 1.00 0.20 H new ATOM 0 H21 DG A 2 15.421 -6.225 -10.876 1.00 0.25 H new ATOM 0 H22 DG A 2 16.032 -6.079 -9.225 1.00 0.25 H new ATOM 65 P DT A 3 9.684 -8.909 -12.895 1.00 0.17 P ATOM 66 OP1 DT A 3 10.807 -8.471 -12.051 1.00 0.28 O ATOM 67 OP2 DT A 3 9.836 -10.115 -13.733 1.00 0.24 O ATOM 68 O5' DT A 3 8.386 -9.114 -11.931 1.00 0.18 O ATOM 69 C5' DT A 3 7.440 -10.192 -12.065 1.00 0.23 C ATOM 70 C4' DT A 3 6.027 -9.668 -12.390 1.00 0.21 C ATOM 71 O4' DT A 3 6.073 -8.850 -13.599 1.00 0.20 O ATOM 72 C3' DT A 3 5.316 -8.800 -11.288 1.00 0.18 C ATOM 73 O3' DT A 3 6.203 -7.952 -10.548 1.00 0.18 O ATOM 74 C2' DT A 3 4.582 -7.858 -12.253 1.00 0.19 C ATOM 75 C1' DT A 3 5.720 -7.494 -13.266 1.00 0.20 C ATOM 76 N1 DT A 3 5.382 -6.625 -14.404 1.00 0.25 N ATOM 77 C2 DT A 3 5.320 -5.279 -14.157 1.00 0.29 C ATOM 78 O2 DT A 3 5.547 -4.805 -13.064 1.00 0.36 O ATOM 79 N3 DT A 3 5.002 -4.454 -15.201 1.00 0.33 N ATOM 80 C4 DT A 3 4.732 -4.848 -16.495 1.00 0.36 C ATOM 81 O4 DT A 3 4.412 -3.972 -17.299 1.00 0.42 O ATOM 82 C5 DT A 3 4.824 -6.302 -16.681 1.00 0.35 C ATOM 83 C7 DT A 3 4.587 -6.994 -18.047 1.00 0.48 C ATOM 84 C6 DT A 3 5.136 -7.125 -15.666 1.00 0.31 C ATOM 0 H5' DT A 3 7.411 -10.769 -11.141 1.00 0.23 H new ATOM 0 H5'' DT A 3 7.768 -10.869 -12.854 1.00 0.23 H new ATOM 0 H4' DT A 3 5.440 -10.581 -12.489 1.00 0.21 H new ATOM 0 H3' DT A 3 4.777 -9.394 -10.549 1.00 0.18 H new ATOM 0 H2' DT A 3 3.740 -8.348 -12.742 1.00 0.19 H new ATOM 0 H2'' DT A 3 4.188 -6.977 -11.746 1.00 0.19 H new ATOM 0 H1' DT A 3 6.505 -6.850 -12.871 1.00 0.20 H new ATOM 0 H3 DT A 3 4.961 -3.454 -15.004 1.00 0.33 H new ATOM 0 H71 DT A 3 5.186 -7.903 -18.103 1.00 0.48 H new ATOM 0 H72 DT A 3 3.532 -7.248 -18.148 1.00 0.48 H new ATOM 0 H73 DT A 3 4.876 -6.319 -18.852 1.00 0.48 H new ATOM 0 H6 DT A 3 5.195 -8.189 -15.840 1.00 0.31 H new ATOM 97 P DT A 4 5.841 -7.082 -9.271 1.00 0.18 P ATOM 98 OP1 DT A 4 4.478 -6.609 -9.483 1.00 0.31 O ATOM 99 OP2 DT A 4 6.923 -6.113 -9.068 1.00 0.26 O ATOM 100 O5' DT A 4 5.879 -8.168 -8.064 1.00 0.30 O ATOM 101 C5' DT A 4 4.973 -9.269 -7.972 1.00 0.23 C ATOM 102 C4' DT A 4 5.143 -10.029 -6.675 1.00 0.19 C ATOM 103 O4' DT A 4 6.506 -10.483 -6.373 1.00 0.21 O ATOM 104 C3' DT A 4 4.789 -9.180 -5.449 1.00 0.18 C ATOM 105 O3' DT A 4 4.494 -10.035 -4.362 1.00 0.23 O ATOM 106 C2' DT A 4 6.204 -8.553 -5.226 1.00 0.12 C ATOM 107 C1' DT A 4 7.183 -9.737 -5.294 1.00 0.17 C ATOM 108 N1 DT A 4 8.589 -9.426 -5.636 1.00 0.14 N ATOM 109 C2 DT A 4 9.460 -9.249 -4.593 1.00 0.19 C ATOM 110 O2 DT A 4 9.105 -9.372 -3.444 1.00 0.28 O ATOM 111 N3 DT A 4 10.779 -8.932 -4.906 1.00 0.20 N ATOM 112 C4 DT A 4 11.293 -8.789 -6.167 1.00 0.18 C ATOM 113 O4 DT A 4 12.484 -8.507 -6.232 1.00 0.22 O ATOM 114 C5 DT A 4 10.321 -9.002 -7.242 1.00 0.17 C ATOM 115 C7 DT A 4 10.716 -8.932 -8.732 1.00 0.18 C ATOM 116 C6 DT A 4 9.029 -9.303 -6.961 1.00 0.14 C ATOM 0 H5' DT A 4 5.134 -9.944 -8.813 1.00 0.23 H new ATOM 0 H5'' DT A 4 3.949 -8.904 -8.048 1.00 0.23 H new ATOM 0 H4' DT A 4 4.479 -10.877 -6.843 1.00 0.19 H new ATOM 0 H3' DT A 4 3.949 -8.493 -5.550 1.00 0.18 H new ATOM 0 H2' DT A 4 6.431 -7.810 -5.990 1.00 0.12 H new ATOM 0 H2'' DT A 4 6.264 -8.047 -4.262 1.00 0.12 H new ATOM 0 H1' DT A 4 7.335 -10.233 -4.335 1.00 0.17 H new ATOM 0 H3 DT A 4 11.421 -8.794 -4.125 1.00 0.20 H new ATOM 0 H71 DT A 4 11.544 -8.235 -8.856 1.00 0.18 H new ATOM 0 H72 DT A 4 11.020 -9.921 -9.075 1.00 0.18 H new ATOM 0 H73 DT A 4 9.863 -8.591 -9.319 1.00 0.18 H new ATOM 0 H6 DT A 4 8.329 -9.450 -7.770 1.00 0.14 H new ATOM 129 P DG A 5 3.368 -9.729 -3.249 1.00 0.29 P ATOM 130 OP1 DG A 5 3.103 -10.934 -2.467 1.00 0.48 O ATOM 131 OP2 DG A 5 2.233 -9.063 -3.877 1.00 0.42 O ATOM 132 O5' DG A 5 3.991 -8.668 -2.214 1.00 0.22 O ATOM 133 C5' DG A 5 3.242 -7.776 -1.326 1.00 0.17 C ATOM 134 C4' DG A 5 3.780 -6.338 -1.343 1.00 0.15 C ATOM 135 O4' DG A 5 5.205 -6.261 -1.077 1.00 0.23 O ATOM 136 C3' DG A 5 3.517 -5.721 -2.712 1.00 0.17 C ATOM 137 O3' DG A 5 3.242 -4.311 -2.609 1.00 0.20 O ATOM 138 C2' DG A 5 4.981 -5.960 -3.217 1.00 0.17 C ATOM 139 C1' DG A 5 5.846 -5.439 -2.081 1.00 0.16 C ATOM 140 N9 DG A 5 7.263 -5.784 -2.275 1.00 0.17 N ATOM 141 C8 DG A 5 8.164 -6.321 -1.419 1.00 0.18 C ATOM 142 N7 DG A 5 9.321 -6.539 -1.958 1.00 0.19 N ATOM 143 C5 DG A 5 9.201 -6.121 -3.251 1.00 0.14 C ATOM 144 C6 DG A 5 10.131 -6.113 -4.325 1.00 0.13 C ATOM 145 O6 DG A 5 11.283 -6.482 -4.345 1.00 0.14 O ATOM 146 N1 DG A 5 9.589 -5.591 -5.511 1.00 0.13 N ATOM 147 C2 DG A 5 8.286 -5.161 -5.560 1.00 0.14 C ATOM 148 N2 DG A 5 7.809 -4.674 -6.730 1.00 0.21 N ATOM 149 N3 DG A 5 7.394 -5.148 -4.601 1.00 0.12 N ATOM 150 C4 DG A 5 7.941 -5.656 -3.466 1.00 0.13 C ATOM 0 H5' DG A 5 3.284 -8.164 -0.308 1.00 0.17 H new ATOM 0 H5'' DG A 5 2.193 -7.771 -1.622 1.00 0.17 H new ATOM 0 H4' DG A 5 3.263 -5.798 -0.550 1.00 0.15 H new ATOM 0 H3' DG A 5 2.684 -6.105 -3.301 1.00 0.17 H new ATOM 0 H2' DG A 5 5.170 -7.016 -3.412 1.00 0.17 H new ATOM 0 H2'' DG A 5 5.176 -5.425 -4.146 1.00 0.17 H new ATOM 0 H1' DG A 5 5.892 -4.364 -1.907 1.00 0.16 H new ATOM 0 H8 DG A 5 7.940 -6.546 -0.387 1.00 0.18 H new ATOM 0 H1 DG A 5 10.171 -5.531 -6.347 1.00 0.13 H new ATOM 0 H21 DG A 5 6.844 -4.348 -6.791 1.00 0.21 H new ATOM 0 H22 DG A 5 8.414 -4.633 -7.550 1.00 0.21 H new ATOM 162 P DG A 6 2.860 -3.372 -3.861 1.00 0.14 P ATOM 163 OP1 DG A 6 1.639 -3.949 -4.451 1.00 0.21 O ATOM 164 OP2 DG A 6 4.034 -3.064 -4.726 1.00 0.18 O ATOM 165 O5' DG A 6 2.432 -2.033 -3.046 1.00 0.17 O ATOM 166 C5' DG A 6 3.300 -1.088 -2.407 1.00 0.15 C ATOM 167 C4' DG A 6 4.438 -1.674 -1.558 1.00 0.17 C ATOM 168 O4' DG A 6 5.384 -2.436 -2.383 1.00 0.18 O ATOM 169 C3' DG A 6 5.304 -0.611 -0.834 1.00 0.20 C ATOM 170 O3' DG A 6 5.736 -1.038 0.435 1.00 0.29 O ATOM 171 C2' DG A 6 6.467 -0.586 -1.748 1.00 0.21 C ATOM 172 C1' DG A 6 6.728 -2.037 -2.075 1.00 0.18 C ATOM 173 N9 DG A 6 7.715 -2.234 -3.149 1.00 0.18 N ATOM 174 C8 DG A 6 7.543 -2.259 -4.504 1.00 0.21 C ATOM 175 N7 DG A 6 8.620 -2.467 -5.159 1.00 0.21 N ATOM 176 C5 DG A 6 9.592 -2.581 -4.190 1.00 0.17 C ATOM 177 C6 DG A 6 10.979 -2.813 -4.333 1.00 0.16 C ATOM 178 O6 DG A 6 11.637 -2.922 -5.370 1.00 0.19 O ATOM 179 N1 DG A 6 11.604 -2.862 -3.096 1.00 0.14 N ATOM 180 C2 DG A 6 11.001 -2.708 -1.871 1.00 0.12 C ATOM 181 N2 DG A 6 11.756 -2.760 -0.799 1.00 0.14 N ATOM 182 N3 DG A 6 9.692 -2.495 -1.756 1.00 0.13 N ATOM 183 C4 DG A 6 9.054 -2.442 -2.947 1.00 0.15 C ATOM 0 H5' DG A 6 2.694 -0.444 -1.769 1.00 0.15 H new ATOM 0 H5'' DG A 6 3.739 -0.453 -3.176 1.00 0.15 H new ATOM 0 H4' DG A 6 3.917 -2.292 -0.827 1.00 0.17 H new ATOM 0 H3' DG A 6 4.786 0.331 -0.657 1.00 0.20 H new ATOM 0 H2' DG A 6 6.251 -0.010 -2.648 1.00 0.21 H new ATOM 0 H2'' DG A 6 7.333 -0.125 -1.274 1.00 0.21 H new ATOM 0 H1' DG A 6 7.201 -2.629 -1.291 1.00 0.18 H new ATOM 0 H8 DG A 6 6.583 -2.116 -4.979 1.00 0.21 H new ATOM 0 H1 DG A 6 12.610 -3.029 -3.095 1.00 0.14 H new ATOM 0 H21 DG A 6 11.338 -2.649 0.125 1.00 0.14 H new ATOM 0 H22 DG A 6 12.761 -2.911 -0.890 1.00 0.14 H new ATOM 195 P DT A 7 5.276 -0.271 1.747 1.00 0.20 P ATOM 196 OP1 DT A 7 4.301 -1.103 2.410 1.00 0.41 O ATOM 197 OP2 DT A 7 4.927 1.118 1.407 1.00 0.30 O ATOM 198 O5' DT A 7 6.569 -0.239 2.704 1.00 0.24 O ATOM 199 C5' DT A 7 7.252 -1.386 3.251 1.00 0.22 C ATOM 200 C4' DT A 7 8.717 -1.462 2.767 1.00 0.17 C ATOM 201 O4' DT A 7 9.265 -2.788 3.096 1.00 0.18 O ATOM 202 C3' DT A 7 8.824 -1.384 1.238 1.00 0.12 C ATOM 203 O3' DT A 7 10.154 -1.040 0.820 1.00 0.18 O ATOM 204 C2' DT A 7 8.663 -2.894 0.977 1.00 0.13 C ATOM 205 C1' DT A 7 9.676 -3.544 1.906 1.00 0.17 C ATOM 206 N1 DT A 7 9.633 -5.024 2.006 1.00 0.24 N ATOM 207 C2 DT A 7 10.441 -5.757 1.199 1.00 0.19 C ATOM 208 O2 DT A 7 11.220 -5.277 0.412 1.00 0.21 O ATOM 209 N3 DT A 7 10.352 -7.112 1.327 1.00 0.28 N ATOM 210 C4 DT A 7 9.554 -7.813 2.172 1.00 0.42 C ATOM 211 O4 DT A 7 9.592 -9.037 2.171 1.00 0.51 O ATOM 212 C5 DT A 7 8.713 -6.981 3.016 1.00 0.51 C ATOM 213 C7 DT A 7 7.786 -7.578 3.999 1.00 0.76 C ATOM 214 C6 DT A 7 8.796 -5.646 2.891 1.00 0.43 C ATOM 0 H5' DT A 7 6.725 -2.295 2.962 1.00 0.22 H new ATOM 0 H5'' DT A 7 7.230 -1.338 4.340 1.00 0.22 H new ATOM 0 H4' DT A 7 9.241 -0.633 3.243 1.00 0.17 H new ATOM 0 H3' DT A 7 8.150 -0.675 0.758 1.00 0.12 H new ATOM 0 H2' DT A 7 7.649 -3.230 1.196 1.00 0.13 H new ATOM 0 H2'' DT A 7 8.863 -3.141 -0.066 1.00 0.13 H new ATOM 0 H1' DT A 7 10.726 -3.485 1.619 1.00 0.17 H new ATOM 0 H3 DT A 7 10.956 -7.663 0.716 1.00 0.28 H new ATOM 0 H71 DT A 7 7.664 -6.899 4.843 1.00 0.76 H new ATOM 0 H72 DT A 7 6.818 -7.750 3.528 1.00 0.76 H new ATOM 0 H73 DT A 7 8.191 -8.526 4.352 1.00 0.76 H new ATOM 0 H6 DT A 7 8.170 -5.032 3.522 1.00 0.43 H new ATOM 227 P DG A 8 10.980 0.330 1.050 1.00 0.14 P ATOM 228 OP1 DG A 8 12.312 0.080 0.460 1.00 0.16 O ATOM 229 OP2 DG A 8 10.864 0.738 2.461 1.00 0.22 O ATOM 230 O5' DG A 8 10.287 1.469 0.124 1.00 0.20 O ATOM 231 C5' DG A 8 11.038 2.502 -0.522 1.00 0.17 C ATOM 232 C4' DG A 8 11.557 2.084 -1.926 1.00 0.17 C ATOM 233 O4' DG A 8 10.499 2.124 -2.980 1.00 0.18 O ATOM 234 C3' DG A 8 12.785 2.827 -2.564 1.00 0.16 C ATOM 235 O3' DG A 8 13.125 4.129 -2.030 1.00 0.19 O ATOM 236 C2' DG A 8 12.354 2.889 -4.089 1.00 0.20 C ATOM 237 C1' DG A 8 11.022 2.076 -4.340 1.00 0.20 C ATOM 238 N9 DG A 8 10.119 2.687 -5.343 1.00 0.16 N ATOM 239 C8 DG A 8 9.044 3.516 -5.111 1.00 0.19 C ATOM 240 N7 DG A 8 8.439 3.890 -6.193 1.00 0.22 N ATOM 241 C5 DG A 8 9.150 3.275 -7.222 1.00 0.20 C ATOM 242 C6 DG A 8 8.944 3.324 -8.633 1.00 0.24 C ATOM 243 O6 DG A 8 8.104 3.913 -9.300 1.00 0.29 O ATOM 244 N1 DG A 8 9.860 2.584 -9.304 1.00 0.23 N ATOM 245 C2 DG A 8 10.861 1.876 -8.742 1.00 0.22 C ATOM 246 N2 DG A 8 11.625 1.292 -9.645 1.00 0.28 N ATOM 247 N3 DG A 8 11.090 1.801 -7.423 1.00 0.19 N ATOM 248 C4 DG A 8 10.187 2.532 -6.717 1.00 0.17 C ATOM 0 H5' DG A 8 11.885 2.775 0.107 1.00 0.17 H new ATOM 0 H5'' DG A 8 10.414 3.390 -0.620 1.00 0.17 H new ATOM 0 H4' DG A 8 11.896 1.084 -1.655 1.00 0.17 H new ATOM 0 H3' DG A 8 13.715 2.299 -2.352 1.00 0.16 H new ATOM 0 H2' DG A 8 12.211 3.928 -4.387 1.00 0.20 H new ATOM 0 H2'' DG A 8 13.152 2.486 -4.712 1.00 0.20 H new ATOM 0 H1' DG A 8 11.152 1.083 -4.769 1.00 0.20 H new ATOM 0 H8 DG A 8 8.736 3.824 -4.123 1.00 0.19 H new ATOM 0 H1 DG A 8 9.786 2.561 -10.321 1.00 0.23 H new ATOM 0 H21 DG A 8 12.420 0.725 -9.351 1.00 0.28 H new ATOM 0 H22 DG A 8 11.421 1.408 -10.638 1.00 0.28 H new ATOM 260 P DT A 9 14.121 4.362 -0.753 1.00 0.19 P ATOM 261 OP1 DT A 9 13.695 3.457 0.338 1.00 0.24 O ATOM 262 OP2 DT A 9 14.194 5.816 -0.501 1.00 0.25 O ATOM 263 O5' DT A 9 15.620 3.899 -1.238 1.00 0.23 O ATOM 264 C5' DT A 9 16.798 3.987 -0.387 1.00 0.24 C ATOM 265 C4' DT A 9 17.968 3.075 -0.827 1.00 0.15 C ATOM 266 O4' DT A 9 17.485 1.722 -0.916 1.00 0.16 O ATOM 267 C3' DT A 9 18.597 3.339 -2.225 1.00 0.14 C ATOM 268 O3' DT A 9 19.994 2.907 -2.351 1.00 0.13 O ATOM 269 C2' DT A 9 17.576 2.531 -3.040 1.00 0.13 C ATOM 270 C1' DT A 9 17.309 1.211 -2.257 1.00 0.12 C ATOM 271 N1 DT A 9 15.949 0.653 -2.505 1.00 0.11 N ATOM 272 C2 DT A 9 15.057 0.539 -1.410 1.00 0.13 C ATOM 273 O2 DT A 9 15.304 0.740 -0.231 1.00 0.14 O ATOM 274 N3 DT A 9 13.796 0.112 -1.689 1.00 0.12 N ATOM 275 C4 DT A 9 13.319 -0.219 -2.930 1.00 0.13 C ATOM 276 O4 DT A 9 12.150 -0.570 -3.071 1.00 0.14 O ATOM 277 C5 DT A 9 14.266 -0.100 -4.008 1.00 0.12 C ATOM 278 C7 DT A 9 13.845 -0.438 -5.414 1.00 0.12 C ATOM 279 C6 DT A 9 15.519 0.315 -3.786 1.00 0.12 C ATOM 0 H5' DT A 9 16.515 3.729 0.634 1.00 0.24 H new ATOM 0 H5'' DT A 9 17.144 5.020 -0.370 1.00 0.24 H new ATOM 0 H4' DT A 9 18.732 3.276 -0.076 1.00 0.15 H new ATOM 0 H3' DT A 9 18.720 4.380 -2.522 1.00 0.14 H new ATOM 0 H2' DT A 9 16.653 3.096 -3.170 1.00 0.13 H new ATOM 0 H2'' DT A 9 17.961 2.317 -4.037 1.00 0.13 H new ATOM 0 H1' DT A 9 17.943 0.365 -2.522 1.00 0.12 H new ATOM 0 H3 DT A 9 13.148 0.031 -0.905 1.00 0.12 H new ATOM 0 H71 DT A 9 14.415 0.167 -6.120 1.00 0.12 H new ATOM 0 H72 DT A 9 14.033 -1.494 -5.606 1.00 0.12 H new ATOM 0 H73 DT A 9 12.782 -0.231 -5.535 1.00 0.12 H new ATOM 0 H6 DT A 9 16.208 0.389 -4.614 1.00 0.12 H new ATOM 292 P DG A 10 20.704 1.436 -2.156 1.00 0.14 P ATOM 293 OP1 DG A 10 22.163 1.577 -2.371 1.00 0.18 O ATOM 294 OP2 DG A 10 19.967 0.419 -2.944 1.00 0.19 O ATOM 295 O5' DG A 10 20.483 1.088 -0.585 1.00 0.17 O ATOM 296 C5' DG A 10 20.709 -0.241 -0.074 1.00 0.17 C ATOM 297 C4' DG A 10 19.904 -0.581 1.212 1.00 0.15 C ATOM 298 O4' DG A 10 18.466 -0.530 0.982 1.00 0.15 O ATOM 299 C3' DG A 10 20.242 -2.059 1.524 1.00 0.11 C ATOM 300 O3' DG A 10 20.373 -2.540 2.876 1.00 0.14 O ATOM 301 C2' DG A 10 18.886 -2.618 1.038 1.00 0.14 C ATOM 302 C1' DG A 10 17.756 -1.660 1.452 1.00 0.13 C ATOM 303 N9 DG A 10 16.561 -2.017 0.629 1.00 0.12 N ATOM 304 C8 DG A 10 15.274 -2.376 0.943 1.00 0.15 C ATOM 305 N7 DG A 10 14.525 -2.693 -0.077 1.00 0.17 N ATOM 306 C5 DG A 10 15.368 -2.527 -1.154 1.00 0.14 C ATOM 307 C6 DG A 10 15.146 -2.717 -2.538 1.00 0.14 C ATOM 308 O6 DG A 10 14.136 -3.059 -3.128 1.00 0.22 O ATOM 309 N1 DG A 10 16.273 -2.443 -3.285 1.00 0.13 N ATOM 310 C2 DG A 10 17.473 -2.027 -2.767 1.00 0.12 C ATOM 311 N2 DG A 10 18.459 -1.762 -3.583 1.00 0.14 N ATOM 312 N3 DG A 10 17.704 -1.843 -1.484 1.00 0.11 N ATOM 313 C4 DG A 10 16.600 -2.113 -0.737 1.00 0.12 C ATOM 0 H5' DG A 10 21.772 -0.361 0.135 1.00 0.17 H new ATOM 0 H5'' DG A 10 20.454 -0.963 -0.849 1.00 0.17 H new ATOM 0 H4' DG A 10 20.157 0.126 2.002 1.00 0.15 H new ATOM 0 H3' DG A 10 21.220 -2.311 1.113 1.00 0.11 H new ATOM 0 H2' DG A 10 18.897 -2.737 -0.045 1.00 0.14 H new ATOM 0 H2'' DG A 10 18.714 -3.606 1.465 1.00 0.14 H new ATOM 0 H1' DG A 10 17.370 -1.604 2.470 1.00 0.13 H new ATOM 0 H8 DG A 10 14.908 -2.395 1.959 1.00 0.15 H new ATOM 0 H1 DG A 10 16.209 -2.558 -4.296 1.00 0.13 H new ATOM 0 H21 DG A 10 19.358 -1.452 -3.213 1.00 0.14 H new ATOM 0 H22 DG A 10 18.330 -1.866 -4.589 1.00 0.14 H new ATOM 325 P DG A 11 20.700 -4.117 3.135 1.00 0.14 P ATOM 326 OP1 DG A 11 21.147 -4.338 4.535 1.00 0.17 O ATOM 327 OP2 DG A 11 21.529 -4.612 2.018 1.00 0.19 O ATOM 328 O5' DG A 11 19.252 -4.800 3.003 1.00 0.18 O ATOM 329 C5' DG A 11 18.160 -4.421 3.833 1.00 0.19 C ATOM 330 C4' DG A 11 16.891 -4.951 3.266 1.00 0.18 C ATOM 331 O4' DG A 11 16.774 -4.521 1.887 1.00 0.20 O ATOM 332 C3' DG A 11 16.883 -6.515 3.275 1.00 0.19 C ATOM 333 O3' DG A 11 15.778 -7.132 3.911 1.00 0.23 O ATOM 334 C2' DG A 11 16.898 -6.730 1.765 1.00 0.15 C ATOM 335 C1' DG A 11 16.222 -5.565 1.080 1.00 0.15 C ATOM 336 N9 DG A 11 16.422 -5.515 -0.387 1.00 0.15 N ATOM 337 C8 DG A 11 17.582 -5.412 -1.174 1.00 0.15 C ATOM 338 N7 DG A 11 17.338 -5.466 -2.467 1.00 0.16 N ATOM 339 C5 DG A 11 15.951 -5.605 -2.547 1.00 0.15 C ATOM 340 C6 DG A 11 15.099 -5.712 -3.674 1.00 0.17 C ATOM 341 O6 DG A 11 15.390 -5.705 -4.847 1.00 0.23 O ATOM 342 N1 DG A 11 13.807 -5.832 -3.330 1.00 0.15 N ATOM 343 C2 DG A 11 13.352 -5.845 -2.044 1.00 0.15 C ATOM 344 N2 DG A 11 12.045 -5.933 -1.904 1.00 0.18 N ATOM 345 N3 DG A 11 14.116 -5.749 -0.967 1.00 0.15 N ATOM 346 C4 DG A 11 15.406 -5.631 -1.293 1.00 0.14 C ATOM 0 H5' DG A 11 18.109 -3.335 3.910 1.00 0.19 H new ATOM 0 H5'' DG A 11 18.307 -4.806 4.842 1.00 0.19 H new ATOM 0 H4' DG A 11 16.066 -4.578 3.873 1.00 0.18 H new ATOM 0 H3' DG A 11 17.692 -6.962 3.853 1.00 0.19 H new ATOM 0 H2' DG A 11 17.925 -6.827 1.412 1.00 0.15 H new ATOM 0 H2'' DG A 11 16.386 -7.659 1.515 1.00 0.15 H new ATOM 0 H1' DG A 11 15.132 -5.557 1.049 1.00 0.15 H new ATOM 0 H8 DG A 11 18.573 -5.300 -0.760 1.00 0.15 H new ATOM 0 H1 DG A 11 13.120 -5.919 -4.079 1.00 0.15 H new ATOM 0 H21 DG A 11 11.632 -5.948 -0.972 1.00 0.18 H new ATOM 0 H22 DG A 11 11.446 -5.986 -2.728 1.00 0.18 H new ATOM 358 P DT A 12 15.946 -8.092 5.184 1.00 0.24 P ATOM 359 OP1 DT A 12 14.792 -8.995 5.217 1.00 0.37 O ATOM 360 OP2 DT A 12 16.250 -7.274 6.366 1.00 0.34 O ATOM 361 O5' DT A 12 17.284 -8.981 4.861 1.00 0.27 O ATOM 362 C5' DT A 12 17.318 -10.068 3.935 1.00 0.26 C ATOM 363 C4' DT A 12 18.722 -10.459 3.447 1.00 0.22 C ATOM 364 O4' DT A 12 19.672 -10.799 4.512 1.00 0.27 O ATOM 365 C3' DT A 12 19.450 -9.372 2.604 1.00 0.20 C ATOM 366 O3' DT A 12 19.147 -9.522 1.209 1.00 0.26 O ATOM 367 C2' DT A 12 20.915 -9.726 2.848 1.00 0.23 C ATOM 368 C1' DT A 12 20.817 -9.954 4.400 1.00 0.22 C ATOM 369 N1 DT A 12 20.473 -8.748 5.210 1.00 0.18 N ATOM 370 C2 DT A 12 20.934 -7.503 4.771 1.00 0.19 C ATOM 371 O2 DT A 12 21.617 -7.291 3.771 1.00 0.21 O ATOM 372 N3 DT A 12 20.596 -6.408 5.538 1.00 0.26 N ATOM 373 C4 DT A 12 19.856 -6.413 6.703 1.00 0.28 C ATOM 374 O4 DT A 12 19.621 -5.380 7.295 1.00 0.34 O ATOM 375 C5 DT A 12 19.417 -7.722 7.104 1.00 0.23 C ATOM 376 C7 DT A 12 18.558 -7.949 8.353 1.00 0.28 C ATOM 377 C6 DT A 12 19.724 -8.822 6.367 1.00 0.20 C ATOM 0 H5' DT A 12 16.708 -9.808 3.070 1.00 0.26 H new ATOM 0 H5'' DT A 12 16.856 -10.938 4.401 1.00 0.26 H new ATOM 0 H4' DT A 12 18.478 -11.331 2.840 1.00 0.22 H new ATOM 0 H3' DT A 12 19.173 -8.352 2.871 1.00 0.20 H new ATOM 0 H2' DT A 12 21.236 -10.615 2.305 1.00 0.23 H new ATOM 0 H2'' DT A 12 21.600 -8.922 2.577 1.00 0.23 H new ATOM 0 H1' DT A 12 21.780 -10.312 4.764 1.00 0.22 H new ATOM 0 H3 DT A 12 20.927 -5.501 5.210 1.00 0.26 H new ATOM 0 H71 DT A 12 17.922 -8.821 8.203 1.00 0.28 H new ATOM 0 H72 DT A 12 19.205 -8.115 9.214 1.00 0.28 H new ATOM 0 H73 DT A 12 17.935 -7.072 8.531 1.00 0.28 H new ATOM 0 H6 DT A 12 19.370 -9.787 6.698 1.00 0.20 H new ATOM 390 P DT A 13 19.317 -8.429 0.075 1.00 0.17 P ATOM 391 OP1 DT A 13 19.674 -7.160 0.721 1.00 0.19 O ATOM 392 OP2 DT A 13 18.106 -8.445 -0.753 1.00 0.21 O ATOM 393 O5' DT A 13 20.555 -8.907 -0.791 1.00 0.28 O ATOM 394 C5' DT A 13 20.790 -10.221 -1.288 1.00 0.28 C ATOM 395 C4' DT A 13 20.061 -10.597 -2.554 1.00 0.22 C ATOM 396 O4' DT A 13 18.618 -10.651 -2.434 1.00 0.21 O ATOM 397 C3' DT A 13 20.367 -9.615 -3.705 1.00 0.24 C ATOM 398 O3' DT A 13 20.675 -10.329 -4.902 1.00 0.26 O ATOM 399 C2' DT A 13 18.967 -8.976 -3.822 1.00 0.19 C ATOM 400 C1' DT A 13 17.981 -10.124 -3.629 1.00 0.18 C ATOM 401 N1 DT A 13 16.568 -9.708 -3.448 1.00 0.15 N ATOM 402 C2 DT A 13 15.846 -9.408 -4.599 1.00 0.18 C ATOM 403 O2 DT A 13 16.291 -9.450 -5.742 1.00 0.21 O ATOM 404 N3 DT A 13 14.531 -9.023 -4.401 1.00 0.21 N ATOM 405 C4 DT A 13 13.911 -8.918 -3.178 1.00 0.21 C ATOM 406 O4 DT A 13 12.743 -8.586 -3.148 1.00 0.28 O ATOM 407 C5 DT A 13 14.726 -9.240 -2.045 1.00 0.19 C ATOM 408 C7 DT A 13 14.150 -9.140 -0.623 1.00 0.28 C ATOM 409 C6 DT A 13 16.002 -9.620 -2.184 1.00 0.18 C ATOM 0 H5' DT A 13 20.516 -10.935 -0.511 1.00 0.28 H new ATOM 0 H5'' DT A 13 21.860 -10.334 -1.463 1.00 0.28 H new ATOM 0 H4' DT A 13 20.433 -11.600 -2.763 1.00 0.22 H new ATOM 0 H3' DT A 13 21.204 -8.935 -3.546 1.00 0.24 H new ATOM 0 H2' DT A 13 18.823 -8.203 -3.067 1.00 0.19 H new ATOM 0 H2'' DT A 13 18.832 -8.501 -4.794 1.00 0.19 H new ATOM 0 H1' DT A 13 17.845 -10.809 -4.466 1.00 0.18 H new ATOM 0 H3 DT A 13 13.978 -8.799 -5.228 1.00 0.21 H new ATOM 0 H71 DT A 13 13.387 -8.362 -0.593 1.00 0.28 H new ATOM 0 H72 DT A 13 13.705 -10.095 -0.343 1.00 0.28 H new ATOM 0 H73 DT A 13 14.948 -8.892 0.076 1.00 0.28 H new ATOM 0 H6 DT A 13 16.592 -9.858 -1.311 1.00 0.18 H new ATOM 422 P DG A 14 22.171 -10.697 -5.351 1.00 0.19 P ATOM 423 OP1 DG A 14 22.227 -12.055 -5.864 1.00 0.35 O ATOM 424 OP2 DG A 14 23.060 -10.291 -4.287 1.00 0.41 O ATOM 425 O5' DG A 14 22.399 -9.725 -6.551 1.00 0.41 O ATOM 426 C5' DG A 14 23.261 -9.939 -7.671 1.00 0.37 C ATOM 427 C4' DG A 14 23.333 -8.774 -8.614 1.00 0.24 C ATOM 428 O4' DG A 14 22.021 -8.381 -9.115 1.00 0.23 O ATOM 429 C3' DG A 14 23.941 -7.550 -7.880 1.00 0.24 C ATOM 430 O3' DG A 14 24.542 -6.675 -8.828 1.00 0.20 O ATOM 431 C2' DG A 14 22.536 -6.942 -7.505 1.00 0.24 C ATOM 432 C1' DG A 14 21.761 -7.009 -8.805 1.00 0.17 C ATOM 433 N9 DG A 14 20.336 -6.682 -8.720 1.00 0.16 N ATOM 434 C8 DG A 14 19.386 -6.623 -9.714 1.00 0.19 C ATOM 435 N7 DG A 14 18.207 -6.324 -9.271 1.00 0.22 N ATOM 436 C5 DG A 14 18.380 -6.176 -7.915 1.00 0.17 C ATOM 437 C6 DG A 14 17.452 -5.852 -6.932 1.00 0.17 C ATOM 438 O6 DG A 14 16.263 -5.627 -7.110 1.00 0.19 O ATOM 439 N1 DG A 14 17.988 -5.796 -5.681 1.00 0.16 N ATOM 440 C2 DG A 14 19.301 -6.022 -5.386 1.00 0.15 C ATOM 441 N2 DG A 14 19.641 -5.917 -4.112 1.00 0.19 N ATOM 442 N3 DG A 14 20.194 -6.328 -6.316 1.00 0.16 N ATOM 443 C4 DG A 14 19.659 -6.384 -7.560 1.00 0.15 C ATOM 0 H5' DG A 14 22.918 -10.817 -8.219 1.00 0.37 H new ATOM 0 H5'' DG A 14 24.264 -10.162 -7.308 1.00 0.37 H new ATOM 0 H4' DG A 14 23.950 -9.087 -9.456 1.00 0.24 H new ATOM 0 H3' DG A 14 24.683 -7.732 -7.103 1.00 0.24 H new ATOM 0 H2' DG A 14 22.048 -7.516 -6.717 1.00 0.24 H new ATOM 0 H2'' DG A 14 22.626 -5.917 -7.144 1.00 0.24 H new ATOM 0 H1' DG A 14 22.059 -6.272 -9.550 1.00 0.17 H new ATOM 0 H8 DG A 14 19.602 -6.807 -10.756 1.00 0.19 H new ATOM 0 H1 DG A 14 17.362 -5.569 -4.908 1.00 0.16 H new ATOM 0 H21 DG A 14 20.608 -6.074 -3.828 1.00 0.19 H new ATOM 0 H22 DG A 14 18.936 -5.679 -3.414 1.00 0.19 H new ATOM 455 P DG A 15 25.321 -5.316 -8.482 1.00 0.24 P ATOM 456 OP1 DG A 15 26.550 -5.261 -9.280 1.00 0.39 O ATOM 457 OP2 DG A 15 25.370 -5.121 -7.028 1.00 0.35 O ATOM 458 O5' DG A 15 24.283 -4.253 -9.110 1.00 0.29 O ATOM 459 C5' DG A 15 23.921 -4.359 -10.492 1.00 0.25 C ATOM 460 C4' DG A 15 22.740 -3.499 -10.880 1.00 0.21 C ATOM 461 O4' DG A 15 21.591 -3.771 -9.997 1.00 0.24 O ATOM 462 C3' DG A 15 23.063 -1.986 -10.703 1.00 0.21 C ATOM 463 O3' DG A 15 22.142 -1.178 -11.463 1.00 0.18 O ATOM 464 C2' DG A 15 22.651 -1.894 -9.209 1.00 0.20 C ATOM 465 C1' DG A 15 21.297 -2.619 -9.168 1.00 0.19 C ATOM 466 N9 DG A 15 20.402 -2.792 -7.981 1.00 0.15 N ATOM 467 C8 DG A 15 20.591 -3.030 -6.624 1.00 0.17 C ATOM 468 N7 DG A 15 19.482 -3.074 -5.950 1.00 0.14 N ATOM 469 C5 DG A 15 18.493 -2.862 -6.896 1.00 0.13 C ATOM 470 C6 DG A 15 17.094 -2.813 -6.753 1.00 0.16 C ATOM 471 O6 DG A 15 16.405 -2.976 -5.755 1.00 0.19 O ATOM 472 N1 DG A 15 16.472 -2.576 -7.954 1.00 0.18 N ATOM 473 C2 DG A 15 17.110 -2.417 -9.146 1.00 0.18 C ATOM 474 N2 DG A 15 16.404 -2.196 -10.238 1.00 0.21 N ATOM 475 N3 DG A 15 18.417 -2.466 -9.293 1.00 0.16 N ATOM 476 C4 DG A 15 19.044 -2.694 -8.129 1.00 0.14 C ATOM 0 H5' DG A 15 23.691 -5.400 -10.719 1.00 0.25 H new ATOM 0 H5'' DG A 15 24.778 -4.081 -11.105 1.00 0.25 H new ATOM 0 H4' DG A 15 22.515 -3.733 -11.921 1.00 0.21 H new ATOM 0 H3' DG A 15 24.065 -1.669 -10.993 1.00 0.21 H new ATOM 0 H2' DG A 15 23.384 -2.374 -8.560 1.00 0.20 H new ATOM 0 H2'' DG A 15 22.563 -0.859 -8.879 1.00 0.20 H new ATOM 0 HO3' DG A 15 22.359 -0.230 -11.339 1.00 0.18 H new ATOM 0 H1' DG A 15 20.521 -1.919 -9.478 1.00 0.19 H new ATOM 0 H8 DG A 15 21.564 -3.165 -6.175 1.00 0.17 H new ATOM 0 H1 DG A 15 15.454 -2.514 -7.953 1.00 0.18 H new ATOM 0 H21 DG A 15 16.875 -2.076 -11.134 1.00 0.21 H new ATOM 0 H22 DG A 15 15.387 -2.145 -10.186 1.00 0.21 H new TER 489 DG A 15