USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 261 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 Set 1.1: A 1 DA O5' : rot 140:sc= 0 USER MOD Set 1.2: A 17 DT C7 :methyl 150:sc= -0.0282 (180deg=-0.0282) USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.205 (180deg=-2.56!) USER MOD Single : A 6 DT C7 :methyl -30:sc= -1.61 (180deg=-4.23!) USER MOD Single : A 11 DT C7 :methyl 150:sc= -2.33! (180deg=-2.33!) USER MOD Single : A 12 DT C7 :methyl 150:sc= -3.96 (180deg=-3.96) USER MOD Single : A 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 23 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 23 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 1.148 6.963 6.063 1.00 0.42 O ATOM 2 C5' DA A 1 0.163 7.462 6.971 1.00 0.37 C ATOM 3 C4' DA A 1 -0.687 6.336 7.556 1.00 0.26 C ATOM 4 O4' DA A 1 -1.623 6.859 8.520 1.00 0.24 O ATOM 5 C3' DA A 1 -1.488 5.634 6.466 1.00 0.28 C ATOM 6 O3' DA A 1 -1.349 4.210 6.571 1.00 0.30 O ATOM 7 C2' DA A 1 -2.915 6.053 6.685 1.00 0.23 C ATOM 8 C1' DA A 1 -2.941 6.906 7.942 1.00 0.13 C ATOM 9 N9 DA A 1 -3.318 8.299 7.639 1.00 0.12 N ATOM 10 C8 DA A 1 -4.292 8.778 6.830 1.00 0.19 C ATOM 11 N7 DA A 1 -4.425 10.060 6.748 1.00 0.18 N ATOM 12 C5 DA A 1 -3.414 10.502 7.607 1.00 0.09 C ATOM 13 C6 DA A 1 -2.990 11.779 7.994 1.00 0.10 C ATOM 14 N6 DA A 1 -3.554 12.900 7.545 1.00 0.13 N ATOM 15 N1 DA A 1 -1.963 11.854 8.858 1.00 0.17 N ATOM 16 C2 DA A 1 -1.386 10.743 9.318 1.00 0.20 C ATOM 17 N3 DA A 1 -1.706 9.488 9.020 1.00 0.16 N ATOM 18 C4 DA A 1 -2.736 9.438 8.153 1.00 0.10 C ATOM 0 H5' DA A 1 -0.481 8.174 6.454 1.00 0.37 H new ATOM 0 H5'' DA A 1 0.654 8.005 7.779 1.00 0.37 H new ATOM 0 H4' DA A 1 -0.005 5.630 8.030 1.00 0.26 H new ATOM 0 H3' DA A 1 -1.139 5.904 5.469 1.00 0.28 H new ATOM 0 H2' DA A 1 -3.287 6.616 5.829 1.00 0.23 H new ATOM 0 H2'' DA A 1 -3.560 5.181 6.797 1.00 0.23 H new ATOM 0 HO5' DA A 1 1.218 7.565 5.293 1.00 0.42 H new ATOM 0 H1' DA A 1 -3.686 6.520 8.637 1.00 0.13 H new ATOM 0 H8 DA A 1 -4.935 8.112 6.273 1.00 0.19 H new ATOM 0 H61 DA A 1 -3.207 13.806 7.859 1.00 0.13 H new ATOM 0 H62 DA A 1 -4.333 12.851 6.888 1.00 0.13 H new ATOM 0 H2 DA A 1 -0.568 10.878 10.010 1.00 0.20 H new ATOM 31 P DG A 2 -1.798 3.435 7.912 1.00 0.16 P ATOM 32 OP1 DG A 2 -3.088 2.760 7.645 1.00 0.19 O ATOM 33 OP2 DG A 2 -1.679 4.371 9.053 1.00 0.19 O ATOM 34 O5' DG A 2 -0.662 2.302 8.070 1.00 0.18 O ATOM 35 C5' DG A 2 -0.966 0.924 7.807 1.00 0.20 C ATOM 36 C4' DG A 2 0.043 -0.030 8.439 1.00 0.16 C ATOM 37 O4' DG A 2 -0.324 -1.403 8.170 1.00 0.15 O ATOM 38 C3' DG A 2 1.446 0.206 7.886 1.00 0.06 C ATOM 39 O3' DG A 2 2.370 0.495 8.944 1.00 0.11 O ATOM 40 C2' DG A 2 1.820 -1.064 7.171 1.00 0.09 C ATOM 41 C1' DG A 2 0.647 -2.020 7.300 1.00 0.12 C ATOM 42 N9 DG A 2 0.064 -2.290 5.975 1.00 0.12 N ATOM 43 C8 DG A 2 -0.239 -3.468 5.375 1.00 0.10 C ATOM 44 N7 DG A 2 -0.707 -3.423 4.170 1.00 0.08 N ATOM 45 C5 DG A 2 -0.725 -2.045 3.926 1.00 0.07 C ATOM 46 C6 DG A 2 -1.135 -1.325 2.770 1.00 0.09 C ATOM 47 O6 DG A 2 -1.572 -1.764 1.713 1.00 0.16 O ATOM 48 N1 DG A 2 -0.989 0.044 2.946 1.00 0.07 N ATOM 49 C2 DG A 2 -0.512 0.649 4.091 1.00 0.06 C ATOM 50 N2 DG A 2 -0.461 1.974 4.078 1.00 0.09 N ATOM 51 N3 DG A 2 -0.126 -0.017 5.176 1.00 0.10 N ATOM 52 C4 DG A 2 -0.257 -1.350 5.028 1.00 0.09 C ATOM 0 H5' DG A 2 -0.990 0.760 6.730 1.00 0.20 H new ATOM 0 H5'' DG A 2 -1.962 0.697 8.186 1.00 0.20 H new ATOM 0 H4' DG A 2 0.038 0.159 9.513 1.00 0.16 H new ATOM 0 H3' DG A 2 1.474 1.064 7.214 1.00 0.06 H new ATOM 0 H2' DG A 2 2.038 -0.864 6.122 1.00 0.09 H new ATOM 0 H2'' DG A 2 2.719 -1.499 7.607 1.00 0.09 H new ATOM 0 H1' DG A 2 0.971 -2.974 7.716 1.00 0.12 H new ATOM 0 H8 DG A 2 -0.095 -4.409 5.885 1.00 0.10 H new ATOM 0 H1 DG A 2 -1.255 0.649 2.169 1.00 0.07 H new ATOM 0 H21 DG A 2 -0.118 2.479 4.895 1.00 0.09 H new ATOM 0 H22 DG A 2 -0.765 2.488 3.251 1.00 0.09 H new ATOM 64 P DG A 3 2.754 -0.625 10.039 1.00 0.06 P ATOM 65 OP1 DG A 3 1.532 -1.394 10.362 1.00 0.08 O ATOM 66 OP2 DG A 3 3.522 0.031 11.122 1.00 0.08 O ATOM 67 O5' DG A 3 3.755 -1.586 9.219 1.00 0.11 O ATOM 68 C5' DG A 3 3.771 -2.999 9.465 1.00 0.11 C ATOM 69 C4' DG A 3 4.367 -3.788 8.306 1.00 0.08 C ATOM 70 O4' DG A 3 3.680 -3.493 7.069 1.00 0.14 O ATOM 71 C3' DG A 3 5.844 -3.458 8.101 1.00 0.08 C ATOM 72 O3' DG A 3 6.681 -4.521 8.570 1.00 0.12 O ATOM 73 C2' DG A 3 6.005 -3.267 6.617 1.00 0.10 C ATOM 74 C1' DG A 3 4.638 -3.449 5.991 1.00 0.12 C ATOM 75 N9 DG A 3 4.343 -2.353 5.044 1.00 0.11 N ATOM 76 C8 DG A 3 4.418 -1.010 5.219 1.00 0.16 C ATOM 77 N7 DG A 3 4.137 -0.258 4.207 1.00 0.16 N ATOM 78 C5 DG A 3 3.833 -1.205 3.224 1.00 0.10 C ATOM 79 C6 DG A 3 3.442 -1.021 1.869 1.00 0.09 C ATOM 80 O6 DG A 3 3.288 0.033 1.258 1.00 0.11 O ATOM 81 N1 DG A 3 3.232 -2.236 1.228 1.00 0.10 N ATOM 82 C2 DG A 3 3.377 -3.478 1.811 1.00 0.11 C ATOM 83 N2 DG A 3 3.126 -4.530 1.031 1.00 0.11 N ATOM 84 N3 DG A 3 3.744 -3.661 3.085 1.00 0.10 N ATOM 85 C4 DG A 3 3.955 -2.491 3.730 1.00 0.09 C ATOM 0 H5' DG A 3 2.753 -3.344 9.649 1.00 0.11 H new ATOM 0 H5'' DG A 3 4.344 -3.200 10.370 1.00 0.11 H new ATOM 0 H4' DG A 3 4.254 -4.841 8.563 1.00 0.08 H new ATOM 0 H3' DG A 3 6.138 -2.570 8.661 1.00 0.08 H new ATOM 0 H2' DG A 3 6.400 -2.275 6.397 1.00 0.10 H new ATOM 0 H2'' DG A 3 6.713 -3.989 6.211 1.00 0.10 H new ATOM 0 H1' DG A 3 4.595 -4.372 5.413 1.00 0.12 H new ATOM 0 H8 DG A 3 4.702 -0.585 6.170 1.00 0.16 H new ATOM 0 H1 DG A 3 2.948 -2.207 0.249 1.00 0.10 H new ATOM 0 H21 DG A 3 3.216 -5.475 1.405 1.00 0.11 H new ATOM 0 H22 DG A 3 2.844 -4.390 0.061 1.00 0.11 H new ATOM 97 P DG A 4 8.277 -4.473 8.342 1.00 0.14 P ATOM 98 OP1 DG A 4 8.899 -5.503 9.203 1.00 0.14 O ATOM 99 OP2 DG A 4 8.716 -3.063 8.447 1.00 0.19 O ATOM 100 O5' DG A 4 8.435 -4.936 6.807 1.00 0.14 O ATOM 101 C5' DG A 4 7.990 -6.235 6.393 1.00 0.10 C ATOM 102 C4' DG A 4 7.852 -6.353 4.880 1.00 0.10 C ATOM 103 O4' DG A 4 7.086 -5.250 4.348 1.00 0.11 O ATOM 104 C3' DG A 4 9.214 -6.365 4.187 1.00 0.12 C ATOM 105 O3' DG A 4 9.449 -7.613 3.526 1.00 0.16 O ATOM 106 C2' DG A 4 9.171 -5.246 3.189 1.00 0.15 C ATOM 107 C1' DG A 4 7.863 -4.519 3.377 1.00 0.10 C ATOM 108 N9 DG A 4 8.120 -3.160 3.845 1.00 0.09 N ATOM 109 C8 DG A 4 8.615 -2.757 5.024 1.00 0.09 C ATOM 110 N7 DG A 4 8.766 -1.485 5.212 1.00 0.08 N ATOM 111 C5 DG A 4 8.314 -0.969 3.990 1.00 0.07 C ATOM 112 C6 DG A 4 8.220 0.377 3.534 1.00 0.06 C ATOM 113 O6 DG A 4 8.517 1.413 4.125 1.00 0.10 O ATOM 114 N1 DG A 4 7.717 0.437 2.243 1.00 0.06 N ATOM 115 C2 DG A 4 7.349 -0.650 1.480 1.00 0.07 C ATOM 116 N2 DG A 4 6.903 -0.386 0.261 1.00 0.11 N ATOM 117 N3 DG A 4 7.431 -1.910 1.898 1.00 0.08 N ATOM 118 C4 DG A 4 7.918 -1.999 3.150 1.00 0.08 C ATOM 0 H5' DG A 4 7.029 -6.451 6.860 1.00 0.10 H new ATOM 0 H5'' DG A 4 8.694 -6.987 6.750 1.00 0.10 H new ATOM 0 H4' DG A 4 7.341 -7.296 4.686 1.00 0.10 H new ATOM 0 H3' DG A 4 10.022 -6.239 4.907 1.00 0.12 H new ATOM 0 H2' DG A 4 10.011 -4.568 3.338 1.00 0.15 H new ATOM 0 H2'' DG A 4 9.251 -5.635 2.174 1.00 0.15 H new ATOM 0 H1' DG A 4 7.317 -4.456 2.436 1.00 0.10 H new ATOM 0 H8 DG A 4 8.879 -3.470 5.791 1.00 0.09 H new ATOM 0 H1 DG A 4 7.611 1.361 1.824 1.00 0.06 H new ATOM 0 H21 DG A 4 6.615 -1.148 -0.353 1.00 0.11 H new ATOM 0 H22 DG A 4 6.848 0.579 -0.064 1.00 0.11 H new ATOM 130 P DT A 5 10.770 -7.823 2.622 1.00 0.12 P ATOM 131 OP1 DT A 5 10.954 -9.276 2.406 1.00 0.16 O ATOM 132 OP2 DT A 5 11.866 -7.022 3.211 1.00 0.14 O ATOM 133 O5' DT A 5 10.358 -7.154 1.210 1.00 0.14 O ATOM 134 C5' DT A 5 11.223 -6.202 0.577 1.00 0.18 C ATOM 135 C4' DT A 5 11.270 -6.384 -0.939 1.00 0.15 C ATOM 136 O4' DT A 5 11.759 -7.700 -1.303 1.00 0.15 O ATOM 137 C3' DT A 5 9.890 -6.218 -1.553 1.00 0.10 C ATOM 138 O3' DT A 5 9.749 -4.942 -2.165 1.00 0.09 O ATOM 139 C2' DT A 5 9.782 -7.321 -2.562 1.00 0.09 C ATOM 140 C1' DT A 5 10.801 -8.359 -2.165 1.00 0.11 C ATOM 141 N1 DT A 5 10.131 -9.457 -1.444 1.00 0.10 N ATOM 142 C2 DT A 5 10.187 -10.734 -1.971 1.00 0.14 C ATOM 143 O2 DT A 5 10.816 -10.996 -2.995 1.00 0.23 O ATOM 144 N3 DT A 5 9.487 -11.704 -1.272 1.00 0.12 N ATOM 145 C4 DT A 5 8.751 -11.503 -0.113 1.00 0.06 C ATOM 146 O4 DT A 5 8.162 -12.436 0.429 1.00 0.08 O ATOM 147 C5 DT A 5 8.761 -10.133 0.352 1.00 0.07 C ATOM 148 C7 DT A 5 7.970 -9.730 1.589 1.00 0.15 C ATOM 149 C6 DT A 5 9.434 -9.187 -0.305 1.00 0.09 C ATOM 0 H5' DT A 5 12.229 -6.301 0.984 1.00 0.18 H new ATOM 0 H5'' DT A 5 10.882 -5.193 0.810 1.00 0.18 H new ATOM 0 H4' DT A 5 11.948 -5.619 -1.319 1.00 0.15 H new ATOM 0 H3' DT A 5 9.100 -6.274 -0.804 1.00 0.10 H new ATOM 0 H2' DT A 5 8.778 -7.745 -2.569 1.00 0.09 H new ATOM 0 H2'' DT A 5 9.978 -6.949 -3.568 1.00 0.09 H new ATOM 0 H1' DT A 5 11.298 -8.783 -3.037 1.00 0.11 H new ATOM 0 H3 DT A 5 9.515 -12.653 -1.644 1.00 0.12 H new ATOM 0 H71 DT A 5 7.093 -10.370 1.685 1.00 0.15 H new ATOM 0 H72 DT A 5 8.597 -9.839 2.474 1.00 0.15 H new ATOM 0 H73 DT A 5 7.653 -8.691 1.496 1.00 0.15 H new ATOM 0 H6 DT A 5 9.426 -8.177 0.077 1.00 0.09 H new ATOM 162 P DT A 6 8.660 -4.741 -3.320 1.00 0.06 P ATOM 163 OP1 DT A 6 8.229 -3.328 -3.311 1.00 0.12 O ATOM 164 OP2 DT A 6 7.665 -5.829 -3.208 1.00 0.15 O ATOM 165 O5' DT A 6 9.529 -4.996 -4.646 1.00 0.08 O ATOM 166 C5' DT A 6 8.887 -5.049 -5.914 1.00 0.14 C ATOM 167 C4' DT A 6 8.974 -3.714 -6.645 1.00 0.12 C ATOM 168 O4' DT A 6 8.590 -2.613 -5.788 1.00 0.13 O ATOM 169 C3' DT A 6 10.391 -3.444 -7.118 1.00 0.13 C ATOM 170 O3' DT A 6 10.582 -3.803 -8.498 1.00 0.22 O ATOM 171 C2' DT A 6 10.614 -1.976 -6.888 1.00 0.18 C ATOM 172 C1' DT A 6 9.492 -1.494 -5.987 1.00 0.15 C ATOM 173 N1 DT A 6 10.021 -1.003 -4.690 1.00 0.15 N ATOM 174 C2 DT A 6 10.217 0.360 -4.548 1.00 0.18 C ATOM 175 O2 DT A 6 10.009 1.149 -5.467 1.00 0.23 O ATOM 176 N3 DT A 6 10.662 0.783 -3.307 1.00 0.18 N ATOM 177 C4 DT A 6 10.923 -0.025 -2.213 1.00 0.16 C ATOM 178 O4 DT A 6 11.314 0.460 -1.153 1.00 0.20 O ATOM 179 C5 DT A 6 10.692 -1.431 -2.454 1.00 0.13 C ATOM 180 C7 DT A 6 10.890 -2.436 -1.315 1.00 0.15 C ATOM 181 C6 DT A 6 10.265 -1.867 -3.658 1.00 0.13 C ATOM 0 H5' DT A 6 7.841 -5.324 -5.781 1.00 0.14 H new ATOM 0 H5'' DT A 6 9.346 -5.828 -6.522 1.00 0.14 H new ATOM 0 H4' DT A 6 8.293 -3.784 -7.493 1.00 0.12 H new ATOM 0 H3' DT A 6 11.112 -4.052 -6.571 1.00 0.13 H new ATOM 0 H2' DT A 6 11.584 -1.801 -6.423 1.00 0.18 H new ATOM 0 H2'' DT A 6 10.611 -1.432 -7.833 1.00 0.18 H new ATOM 0 H1' DT A 6 8.968 -0.657 -6.448 1.00 0.15 H new ATOM 0 H3 DT A 6 10.812 1.785 -3.187 1.00 0.18 H new ATOM 0 H71 DT A 6 11.658 -2.068 -0.634 1.00 0.15 H new ATOM 0 H72 DT A 6 9.953 -2.560 -0.772 1.00 0.15 H new ATOM 0 H73 DT A 6 11.200 -3.396 -1.727 1.00 0.15 H new ATOM 0 H6 DT A 6 10.112 -2.925 -3.810 1.00 0.13 H new ATOM 194 P DA A 7 9.414 -3.617 -9.597 1.00 0.20 P ATOM 195 OP1 DA A 7 9.983 -3.910 -10.931 1.00 0.19 O ATOM 196 OP2 DA A 7 8.747 -2.320 -9.347 1.00 0.25 O ATOM 197 O5' DA A 7 8.379 -4.798 -9.219 1.00 0.28 O ATOM 198 C5' DA A 7 6.985 -4.658 -9.514 1.00 0.11 C ATOM 199 C4' DA A 7 6.108 -5.416 -8.507 1.00 0.08 C ATOM 200 O4' DA A 7 6.533 -5.169 -7.147 1.00 0.06 O ATOM 201 C3' DA A 7 4.644 -5.000 -8.621 1.00 0.09 C ATOM 202 O3' DA A 7 3.870 -6.014 -9.267 1.00 0.11 O ATOM 203 C2' DA A 7 4.175 -4.781 -7.206 1.00 0.11 C ATOM 204 C1' DA A 7 5.391 -4.882 -6.304 1.00 0.09 C ATOM 205 N9 DA A 7 5.603 -3.624 -5.561 1.00 0.09 N ATOM 206 C8 DA A 7 5.647 -2.351 -6.022 1.00 0.10 C ATOM 207 N7 DA A 7 5.834 -1.410 -5.169 1.00 0.11 N ATOM 208 C5 DA A 7 5.941 -2.127 -3.980 1.00 0.12 C ATOM 209 C6 DA A 7 6.158 -1.729 -2.666 1.00 0.14 C ATOM 210 N6 DA A 7 6.295 -0.459 -2.319 1.00 0.11 N ATOM 211 N1 DA A 7 6.223 -2.683 -1.725 1.00 0.15 N ATOM 212 C2 DA A 7 6.079 -3.964 -2.056 1.00 0.13 C ATOM 213 N3 DA A 7 5.860 -4.459 -3.277 1.00 0.10 N ATOM 214 C4 DA A 7 5.803 -3.476 -4.202 1.00 0.10 C ATOM 0 H5' DA A 7 6.788 -5.030 -10.519 1.00 0.11 H new ATOM 0 H5'' DA A 7 6.717 -3.602 -9.506 1.00 0.11 H new ATOM 0 H4' DA A 7 6.214 -6.475 -8.744 1.00 0.08 H new ATOM 0 H3' DA A 7 4.529 -4.100 -9.226 1.00 0.09 H new ATOM 0 H2' DA A 7 3.702 -3.804 -7.105 1.00 0.11 H new ATOM 0 H2'' DA A 7 3.429 -5.526 -6.929 1.00 0.11 H new ATOM 0 H1' DA A 7 5.248 -5.671 -5.566 1.00 0.09 H new ATOM 0 H8 DA A 7 5.529 -2.135 -7.073 1.00 0.10 H new ATOM 0 H61 DA A 7 6.453 -0.211 -1.342 1.00 0.11 H new ATOM 0 H62 DA A 7 6.243 0.272 -3.028 1.00 0.11 H new ATOM 0 H2 DA A 7 6.146 -4.680 -1.251 1.00 0.13 H new ATOM 226 P DG A 8 2.263 -5.938 -9.260 1.00 0.17 P ATOM 227 OP1 DG A 8 1.753 -6.772 -10.371 1.00 0.22 O ATOM 228 OP2 DG A 8 1.866 -4.515 -9.162 1.00 0.25 O ATOM 229 O5' DG A 8 1.890 -6.664 -7.873 1.00 0.14 O ATOM 230 C5' DG A 8 2.037 -8.083 -7.745 1.00 0.14 C ATOM 231 C4' DG A 8 1.454 -8.619 -6.446 1.00 0.11 C ATOM 232 O4' DG A 8 2.198 -8.153 -5.299 1.00 0.10 O ATOM 233 C3' DG A 8 0.005 -8.177 -6.259 1.00 0.15 C ATOM 234 O3' DG A 8 -0.894 -9.260 -6.525 1.00 0.12 O ATOM 235 C2' DG A 8 -0.087 -7.729 -4.822 1.00 0.24 C ATOM 236 C1' DG A 8 1.282 -7.954 -4.207 1.00 0.15 C ATOM 237 N9 DG A 8 1.691 -6.817 -3.353 1.00 0.15 N ATOM 238 C8 DG A 8 2.088 -6.821 -2.057 1.00 0.20 C ATOM 239 N7 DG A 8 2.383 -5.688 -1.515 1.00 0.21 N ATOM 240 C5 DG A 8 2.163 -4.801 -2.570 1.00 0.15 C ATOM 241 C6 DG A 8 2.311 -3.389 -2.614 1.00 0.13 C ATOM 242 O6 DG A 8 2.668 -2.631 -1.713 1.00 0.18 O ATOM 243 N1 DG A 8 1.988 -2.879 -3.864 1.00 0.10 N ATOM 244 C2 DG A 8 1.571 -3.632 -4.946 1.00 0.14 C ATOM 245 N2 DG A 8 1.307 -2.959 -6.066 1.00 0.17 N ATOM 246 N3 DG A 8 1.428 -4.963 -4.914 1.00 0.15 N ATOM 247 C4 DG A 8 1.738 -5.482 -3.703 1.00 0.13 C ATOM 0 H5' DG A 8 3.095 -8.341 -7.797 1.00 0.14 H new ATOM 0 H5'' DG A 8 1.548 -8.572 -8.587 1.00 0.14 H new ATOM 0 H4' DG A 8 1.511 -9.705 -6.517 1.00 0.11 H new ATOM 0 H3' DG A 8 -0.273 -7.378 -6.947 1.00 0.15 H new ATOM 0 H2' DG A 8 -0.371 -6.678 -4.762 1.00 0.24 H new ATOM 0 H2'' DG A 8 -0.849 -8.296 -4.288 1.00 0.24 H new ATOM 0 H1' DG A 8 1.270 -8.824 -3.551 1.00 0.15 H new ATOM 0 H8 DG A 8 2.155 -7.742 -1.497 1.00 0.20 H new ATOM 0 H1 DG A 8 2.064 -1.870 -3.994 1.00 0.10 H new ATOM 0 H21 DG A 8 0.995 -3.458 -6.899 1.00 0.17 H new ATOM 0 H22 DG A 8 1.417 -1.945 -6.090 1.00 0.17 H new ATOM 259 P DG A 9 -2.461 -8.986 -6.781 1.00 0.11 P ATOM 260 OP1 DG A 9 -2.954 -9.987 -7.753 1.00 0.17 O ATOM 261 OP2 DG A 9 -2.641 -7.542 -7.052 1.00 0.11 O ATOM 262 O5' DG A 9 -3.110 -9.314 -5.346 1.00 0.10 O ATOM 263 C5' DG A 9 -2.806 -10.545 -4.679 1.00 0.12 C ATOM 264 C4' DG A 9 -3.044 -10.464 -3.178 1.00 0.07 C ATOM 265 O4' DG A 9 -2.339 -9.334 -2.616 1.00 0.07 O ATOM 266 C3' DG A 9 -4.529 -10.305 -2.859 1.00 0.11 C ATOM 267 O3' DG A 9 -5.007 -11.428 -2.106 1.00 0.12 O ATOM 268 C2' DG A 9 -4.639 -9.036 -2.060 1.00 0.18 C ATOM 269 C1' DG A 9 -3.229 -8.548 -1.800 1.00 0.10 C ATOM 270 N9 DG A 9 -3.105 -7.110 -2.107 1.00 0.05 N ATOM 271 C8 DG A 9 -3.385 -6.433 -3.251 1.00 0.06 C ATOM 272 N7 DG A 9 -3.203 -5.154 -3.249 1.00 0.06 N ATOM 273 C5 DG A 9 -2.742 -4.936 -1.946 1.00 0.05 C ATOM 274 C6 DG A 9 -2.360 -3.729 -1.304 1.00 0.07 C ATOM 275 O6 DG A 9 -2.353 -2.591 -1.764 1.00 0.09 O ATOM 276 N1 DG A 9 -1.961 -3.953 0.006 1.00 0.08 N ATOM 277 C2 DG A 9 -1.928 -5.181 0.630 1.00 0.08 C ATOM 278 N2 DG A 9 -1.512 -5.189 1.896 1.00 0.12 N ATOM 279 N3 DG A 9 -2.285 -6.323 0.035 1.00 0.05 N ATOM 280 C4 DG A 9 -2.680 -6.130 -1.243 1.00 0.04 C ATOM 0 H5' DG A 9 -1.765 -10.809 -4.866 1.00 0.12 H new ATOM 0 H5'' DG A 9 -3.418 -11.344 -5.099 1.00 0.12 H new ATOM 0 H4' DG A 9 -2.677 -11.394 -2.744 1.00 0.07 H new ATOM 0 H3' DG A 9 -5.134 -10.259 -3.765 1.00 0.11 H new ATOM 0 H2' DG A 9 -5.211 -8.286 -2.606 1.00 0.18 H new ATOM 0 H2'' DG A 9 -5.163 -9.216 -1.121 1.00 0.18 H new ATOM 0 H1' DG A 9 -2.974 -8.667 -0.747 1.00 0.10 H new ATOM 0 H8 DG A 9 -3.747 -6.945 -4.130 1.00 0.06 H new ATOM 0 H1 DG A 9 -1.668 -3.142 0.552 1.00 0.08 H new ATOM 0 H21 DG A 9 -1.466 -6.068 2.412 1.00 0.12 H new ATOM 0 H22 DG A 9 -1.240 -4.316 2.349 1.00 0.12 H new ATOM 292 P DG A 10 -6.508 -11.448 -1.520 1.00 0.09 P ATOM 293 OP1 DG A 10 -6.875 -12.853 -1.237 1.00 0.08 O ATOM 294 OP2 DG A 10 -7.362 -10.627 -2.406 1.00 0.15 O ATOM 295 O5' DG A 10 -6.349 -10.676 -0.114 1.00 0.21 O ATOM 296 C5' DG A 10 -7.506 -10.199 0.587 1.00 0.25 C ATOM 297 C4' DG A 10 -7.165 -9.637 1.962 1.00 0.11 C ATOM 298 O4' DG A 10 -6.212 -8.554 1.845 1.00 0.18 O ATOM 299 C3' DG A 10 -8.414 -9.099 2.657 1.00 0.07 C ATOM 300 O3' DG A 10 -8.607 -9.731 3.929 1.00 0.09 O ATOM 301 C2' DG A 10 -8.183 -7.624 2.822 1.00 0.13 C ATOM 302 C1' DG A 10 -6.754 -7.338 2.406 1.00 0.15 C ATOM 303 N9 DG A 10 -6.711 -6.242 1.421 1.00 0.13 N ATOM 304 C8 DG A 10 -7.015 -6.261 0.099 1.00 0.12 C ATOM 305 N7 DG A 10 -6.921 -5.152 -0.555 1.00 0.10 N ATOM 306 C5 DG A 10 -6.500 -4.269 0.445 1.00 0.09 C ATOM 307 C6 DG A 10 -6.215 -2.883 0.368 1.00 0.12 C ATOM 308 O6 DG A 10 -6.275 -2.151 -0.611 1.00 0.18 O ATOM 309 N1 DG A 10 -5.824 -2.369 1.594 1.00 0.12 N ATOM 310 C2 DG A 10 -5.714 -3.088 2.759 1.00 0.13 C ATOM 311 N2 DG A 10 -5.309 -2.400 3.829 1.00 0.16 N ATOM 312 N3 DG A 10 -5.980 -4.400 2.850 1.00 0.14 N ATOM 313 C4 DG A 10 -6.367 -4.927 1.659 1.00 0.11 C ATOM 0 H5' DG A 10 -8.221 -11.014 0.698 1.00 0.25 H new ATOM 0 H5'' DG A 10 -7.994 -9.426 -0.007 1.00 0.25 H new ATOM 0 H4' DG A 10 -6.739 -10.451 2.549 1.00 0.11 H new ATOM 0 H3' DG A 10 -9.313 -9.302 2.075 1.00 0.07 H new ATOM 0 H2' DG A 10 -8.882 -7.055 2.209 1.00 0.13 H new ATOM 0 H2'' DG A 10 -8.349 -7.323 3.856 1.00 0.13 H new ATOM 0 H1' DG A 10 -6.162 -7.023 3.265 1.00 0.15 H new ATOM 0 H8 DG A 10 -7.325 -7.173 -0.390 1.00 0.12 H new ATOM 0 H1 DG A 10 -5.599 -1.375 1.635 1.00 0.12 H new ATOM 0 H21 DG A 10 -5.205 -2.870 4.728 1.00 0.16 H new ATOM 0 H22 DG A 10 -5.104 -1.404 3.747 1.00 0.16 H new ATOM 325 P DT A 11 -7.536 -9.535 5.115 1.00 0.10 P ATOM 326 OP1 DT A 11 -6.183 -9.750 4.557 1.00 0.22 O ATOM 327 OP2 DT A 11 -7.986 -10.326 6.281 1.00 0.21 O ATOM 328 O5' DT A 11 -7.691 -7.972 5.476 1.00 0.10 O ATOM 329 C5' DT A 11 -8.460 -7.556 6.611 1.00 0.18 C ATOM 330 C4' DT A 11 -8.008 -6.186 7.118 1.00 0.16 C ATOM 331 O4' DT A 11 -6.582 -6.188 7.369 1.00 0.19 O ATOM 332 C3' DT A 11 -8.301 -5.094 6.094 1.00 0.13 C ATOM 333 O3' DT A 11 -8.929 -3.966 6.719 1.00 0.12 O ATOM 334 C2' DT A 11 -6.962 -4.710 5.541 1.00 0.13 C ATOM 335 C1' DT A 11 -5.926 -5.224 6.515 1.00 0.12 C ATOM 336 N1 DT A 11 -4.786 -5.831 5.802 1.00 0.08 N ATOM 337 C2 DT A 11 -3.830 -4.976 5.286 1.00 0.11 C ATOM 338 O2 DT A 11 -3.911 -3.756 5.404 1.00 0.16 O ATOM 339 N3 DT A 11 -2.772 -5.575 4.626 1.00 0.14 N ATOM 340 C4 DT A 11 -2.593 -6.934 4.441 1.00 0.16 C ATOM 341 O4 DT A 11 -1.611 -7.360 3.837 1.00 0.23 O ATOM 342 C5 DT A 11 -3.641 -7.749 5.014 1.00 0.12 C ATOM 343 C7 DT A 11 -3.566 -9.267 4.889 1.00 0.20 C ATOM 344 C6 DT A 11 -4.682 -7.187 5.662 1.00 0.08 C ATOM 0 H5' DT A 11 -8.361 -8.292 7.409 1.00 0.18 H new ATOM 0 H5'' DT A 11 -9.516 -7.516 6.343 1.00 0.18 H new ATOM 0 H4' DT A 11 -8.559 -5.985 8.037 1.00 0.16 H new ATOM 0 H3' DT A 11 -8.983 -5.438 5.317 1.00 0.13 H new ATOM 0 H2' DT A 11 -6.813 -5.144 4.552 1.00 0.13 H new ATOM 0 H2'' DT A 11 -6.885 -3.628 5.429 1.00 0.13 H new ATOM 0 H1' DT A 11 -5.520 -4.406 7.110 1.00 0.12 H new ATOM 0 H3 DT A 11 -2.058 -4.957 4.240 1.00 0.14 H new ATOM 0 H71 DT A 11 -4.054 -9.727 5.748 1.00 0.20 H new ATOM 0 H72 DT A 11 -4.068 -9.582 3.974 1.00 0.20 H new ATOM 0 H73 DT A 11 -2.522 -9.578 4.855 1.00 0.20 H new ATOM 0 H6 DT A 11 -5.450 -7.822 6.079 1.00 0.08 H new ATOM 357 P DT A 12 -9.942 -3.020 5.896 1.00 0.04 P ATOM 358 OP1 DT A 12 -10.461 -1.988 6.820 1.00 0.08 O ATOM 359 OP2 DT A 12 -10.887 -3.888 5.158 1.00 0.09 O ATOM 360 O5' DT A 12 -8.980 -2.297 4.822 1.00 0.10 O ATOM 361 C5' DT A 12 -8.154 -1.187 5.201 1.00 0.10 C ATOM 362 C4' DT A 12 -8.300 -0.013 4.232 1.00 0.09 C ATOM 363 O4' DT A 12 -8.093 -0.448 2.869 1.00 0.10 O ATOM 364 C3' DT A 12 -9.683 0.621 4.326 1.00 0.09 C ATOM 365 O3' DT A 12 -9.577 1.991 4.726 1.00 0.16 O ATOM 366 C2' DT A 12 -10.281 0.513 2.951 1.00 0.09 C ATOM 367 C1' DT A 12 -9.260 -0.173 2.064 1.00 0.08 C ATOM 368 N1 DT A 12 -9.812 -1.424 1.508 1.00 0.09 N ATOM 369 C2 DT A 12 -10.233 -1.419 0.190 1.00 0.16 C ATOM 370 O2 DT A 12 -10.157 -0.416 -0.516 1.00 0.23 O ATOM 371 N3 DT A 12 -10.747 -2.612 -0.287 1.00 0.20 N ATOM 372 C4 DT A 12 -10.873 -3.789 0.429 1.00 0.19 C ATOM 373 O4 DT A 12 -11.346 -4.795 -0.095 1.00 0.21 O ATOM 374 C5 DT A 12 -10.406 -3.697 1.795 1.00 0.16 C ATOM 375 C7 DT A 12 -10.484 -4.918 2.704 1.00 0.16 C ATOM 376 C6 DT A 12 -9.902 -2.547 2.281 1.00 0.12 C ATOM 0 H5' DT A 12 -7.112 -1.504 5.233 1.00 0.10 H new ATOM 0 H5'' DT A 12 -8.420 -0.863 6.207 1.00 0.10 H new ATOM 0 H4' DT A 12 -7.546 0.723 4.511 1.00 0.09 H new ATOM 0 H3' DT A 12 -10.305 0.121 5.068 1.00 0.09 H new ATOM 0 H2' DT A 12 -11.209 -0.058 2.980 1.00 0.09 H new ATOM 0 H2'' DT A 12 -10.526 1.501 2.561 1.00 0.09 H new ATOM 0 H1' DT A 12 -8.998 0.470 1.224 1.00 0.08 H new ATOM 0 H3 DT A 12 -11.062 -2.625 -1.257 1.00 0.20 H new ATOM 0 H71 DT A 12 -9.676 -4.880 3.435 1.00 0.16 H new ATOM 0 H72 DT A 12 -11.442 -4.925 3.223 1.00 0.16 H new ATOM 0 H73 DT A 12 -10.389 -5.824 2.105 1.00 0.16 H new ATOM 0 H6 DT A 12 -9.561 -2.511 3.305 1.00 0.12 H new ATOM 389 P DA A 13 -9.601 2.398 6.283 1.00 0.19 P ATOM 390 OP1 DA A 13 -8.558 3.422 6.512 1.00 0.20 O ATOM 391 OP2 DA A 13 -9.605 1.155 7.087 1.00 0.36 O ATOM 392 O5' DA A 13 -11.041 3.101 6.435 1.00 0.19 O ATOM 393 C5' DA A 13 -11.270 4.423 5.931 1.00 0.18 C ATOM 394 C4' DA A 13 -10.515 4.675 4.624 1.00 0.11 C ATOM 395 O4' DA A 13 -10.861 3.682 3.634 1.00 0.08 O ATOM 396 C3' DA A 13 -10.858 6.051 4.048 1.00 0.16 C ATOM 397 O3' DA A 13 -9.752 6.961 4.146 1.00 0.17 O ATOM 398 C2' DA A 13 -11.215 5.804 2.606 1.00 0.23 C ATOM 399 C1' DA A 13 -11.085 4.313 2.358 1.00 0.12 C ATOM 400 N9 DA A 13 -12.300 3.779 1.715 1.00 0.10 N ATOM 401 C8 DA A 13 -13.456 3.343 2.273 1.00 0.13 C ATOM 402 N7 DA A 13 -14.379 2.916 1.478 1.00 0.14 N ATOM 403 C5 DA A 13 -13.773 3.084 0.228 1.00 0.10 C ATOM 404 C6 DA A 13 -14.206 2.824 -1.077 1.00 0.09 C ATOM 405 N6 DA A 13 -15.405 2.317 -1.360 1.00 0.17 N ATOM 406 N1 DA A 13 -13.355 3.109 -2.079 1.00 0.07 N ATOM 407 C2 DA A 13 -12.150 3.618 -1.817 1.00 0.11 C ATOM 408 N3 DA A 13 -11.639 3.901 -0.623 1.00 0.11 N ATOM 409 C4 DA A 13 -12.509 3.609 0.364 1.00 0.10 C ATOM 0 H5' DA A 13 -10.959 5.155 6.677 1.00 0.18 H new ATOM 0 H5'' DA A 13 -12.338 4.569 5.767 1.00 0.18 H new ATOM 0 H4' DA A 13 -9.451 4.623 4.855 1.00 0.11 H new ATOM 0 H3' DA A 13 -11.675 6.514 4.601 1.00 0.16 H new ATOM 0 H2' DA A 13 -12.231 6.141 2.398 1.00 0.23 H new ATOM 0 H2'' DA A 13 -10.552 6.363 1.945 1.00 0.23 H new ATOM 0 H1' DA A 13 -10.254 4.111 1.682 1.00 0.12 H new ATOM 0 H8 DA A 13 -13.599 3.353 3.343 1.00 0.13 H new ATOM 0 H61 DA A 13 -15.671 2.147 -2.330 1.00 0.17 H new ATOM 0 H62 DA A 13 -16.057 2.099 -0.607 1.00 0.17 H new ATOM 0 H2 DA A 13 -11.520 3.823 -2.670 1.00 0.11 H new ATOM 421 P DI A 14 -8.717 6.882 5.377 1.00 0.11 P ATOM 422 OP1 DI A 14 -9.487 6.638 6.617 1.00 0.14 O ATOM 423 OP2 DI A 14 -7.801 8.041 5.290 1.00 0.12 O ATOM 424 O5' DI A 14 -7.884 5.550 5.024 1.00 0.13 O ATOM 425 C5' DI A 14 -7.029 5.517 3.874 1.00 0.12 C ATOM 426 C4' DI A 14 -5.568 5.717 4.243 1.00 0.11 C ATOM 427 O4' DI A 14 -5.048 4.557 4.939 1.00 0.12 O ATOM 428 C3' DI A 14 -4.702 5.940 3.009 1.00 0.11 C ATOM 429 O3' DI A 14 -4.382 7.326 2.836 1.00 0.14 O ATOM 430 C2' DI A 14 -3.477 5.120 3.263 1.00 0.11 C ATOM 431 C1' DI A 14 -3.913 4.032 4.217 1.00 0.08 C ATOM 432 N9 DI A 14 -4.295 2.808 3.480 1.00 0.10 N ATOM 433 C8 DI A 14 -4.398 1.529 3.916 1.00 0.14 C ATOM 434 N7 DI A 14 -4.786 0.631 3.066 1.00 0.16 N ATOM 435 C5 DI A 14 -4.966 1.404 1.910 1.00 0.16 C ATOM 436 C6 DI A 14 -5.386 1.024 0.612 1.00 0.22 C ATOM 437 O6 DI A 14 -5.690 -0.089 0.206 1.00 0.29 O ATOM 438 N1 DI A 14 -5.431 2.109 -0.249 1.00 0.25 N ATOM 439 C2 DI A 14 -5.113 3.412 0.082 1.00 0.25 C ATOM 440 N3 DI A 14 -4.721 3.775 1.294 1.00 0.19 N ATOM 441 C4 DI A 14 -4.668 2.732 2.156 1.00 0.13 C ATOM 0 H5'' DI A 14 -7.146 4.561 3.363 1.00 0.12 H new ATOM 0 H2'' DI A 14 -3.088 4.697 2.337 1.00 0.11 H new ATOM 0 H8 DI A 14 -4.162 1.265 4.947 1.00 0.14 H new ATOM 0 H5' DI A 14 -7.335 6.293 3.173 1.00 0.12 H new ATOM 0 H4' DI A 14 -5.530 6.598 4.884 1.00 0.11 H new ATOM 0 H3' DI A 14 -5.209 5.648 2.090 1.00 0.11 H new ATOM 0 H2' DI A 14 -2.681 5.726 3.696 1.00 0.11 H new ATOM 0 H2 DI A 14 -5.188 4.177 -0.691 1.00 0.25 H new ATOM 0 H1' DI A 14 -3.102 3.758 4.892 1.00 0.08 H new ATOM 0 H1 DI A 14 -5.724 1.930 -1.209 1.00 0.25 H new ATOM 452 P DG A 15 -5.328 8.282 1.945 1.00 0.09 P ATOM 453 OP1 DG A 15 -4.830 9.671 2.066 1.00 0.19 O ATOM 454 OP2 DG A 15 -6.737 7.975 2.277 1.00 0.17 O ATOM 455 O5' DG A 15 -5.043 7.769 0.440 1.00 0.15 O ATOM 456 C5' DG A 15 -3.905 8.233 -0.313 1.00 0.09 C ATOM 457 C4' DG A 15 -2.806 8.809 0.570 1.00 0.07 C ATOM 458 O4' DG A 15 -2.464 7.877 1.616 1.00 0.08 O ATOM 459 C3' DG A 15 -1.544 9.109 -0.235 1.00 0.10 C ATOM 460 O3' DG A 15 -1.155 10.480 -0.061 1.00 0.13 O ATOM 461 C2' DG A 15 -0.493 8.167 0.299 1.00 0.11 C ATOM 462 C1' DG A 15 -1.075 7.509 1.532 1.00 0.09 C ATOM 463 N9 DG A 15 -0.934 6.043 1.481 1.00 0.08 N ATOM 464 C8 DG A 15 -0.503 5.201 2.447 1.00 0.13 C ATOM 465 N7 DG A 15 -0.528 3.942 2.194 1.00 0.14 N ATOM 466 C5 DG A 15 -1.037 3.913 0.898 1.00 0.09 C ATOM 467 C6 DG A 15 -1.305 2.800 0.058 1.00 0.13 C ATOM 468 O6 DG A 15 -1.162 1.604 0.310 1.00 0.16 O ATOM 469 N1 DG A 15 -1.807 3.202 -1.173 1.00 0.17 N ATOM 470 C2 DG A 15 -2.026 4.512 -1.553 1.00 0.17 C ATOM 471 N2 DG A 15 -2.495 4.693 -2.789 1.00 0.18 N ATOM 472 N3 DG A 15 -1.779 5.568 -0.763 1.00 0.13 N ATOM 473 C4 DG A 15 -1.288 5.197 0.445 1.00 0.07 C ATOM 0 H5' DG A 15 -4.231 8.994 -1.022 1.00 0.09 H new ATOM 0 H5'' DG A 15 -3.500 7.406 -0.896 1.00 0.09 H new ATOM 0 H4' DG A 15 -3.189 9.736 0.997 1.00 0.07 H new ATOM 0 H3' DG A 15 -1.694 8.966 -1.305 1.00 0.10 H new ATOM 0 H2' DG A 15 -0.229 7.419 -0.449 1.00 0.11 H new ATOM 0 H2'' DG A 15 0.421 8.708 0.545 1.00 0.11 H new ATOM 0 H1' DG A 15 -0.534 7.849 2.415 1.00 0.09 H new ATOM 0 H8 DG A 15 -0.150 5.574 3.397 1.00 0.13 H new ATOM 0 H1 DG A 15 -2.032 2.473 -1.850 1.00 0.17 H new ATOM 0 H21 DG A 15 -2.678 5.636 -3.132 1.00 0.18 H new ATOM 0 H22 DG A 15 -2.670 3.888 -3.391 1.00 0.18 H new ATOM 485 P DG A 16 0.333 10.977 -0.430 1.00 0.18 P ATOM 486 OP1 DG A 16 0.345 12.457 -0.421 1.00 0.36 O ATOM 487 OP2 DG A 16 0.784 10.240 -1.631 1.00 0.31 O ATOM 488 O5' DG A 16 1.189 10.457 0.834 1.00 0.13 O ATOM 489 C5' DG A 16 2.622 10.460 0.801 1.00 0.15 C ATOM 490 C4' DG A 16 3.232 10.004 2.121 1.00 0.12 C ATOM 491 O4' DG A 16 2.800 8.664 2.445 1.00 0.13 O ATOM 492 C3' DG A 16 4.756 10.010 2.053 1.00 0.14 C ATOM 493 O3' DG A 16 5.303 10.787 3.126 1.00 0.11 O ATOM 494 C2' DG A 16 5.170 8.569 2.170 1.00 0.17 C ATOM 495 C1' DG A 16 3.935 7.774 2.539 1.00 0.15 C ATOM 496 N9 DG A 16 3.763 6.618 1.639 1.00 0.12 N ATOM 497 C8 DG A 16 3.493 6.594 0.313 1.00 0.13 C ATOM 498 N7 DG A 16 3.351 5.441 -0.251 1.00 0.12 N ATOM 499 C5 DG A 16 3.552 4.572 0.827 1.00 0.13 C ATOM 500 C6 DG A 16 3.527 3.153 0.866 1.00 0.14 C ATOM 501 O6 DG A 16 3.315 2.368 -0.057 1.00 0.19 O ATOM 502 N1 DG A 16 3.780 2.674 2.146 1.00 0.14 N ATOM 503 C2 DG A 16 4.028 3.459 3.254 1.00 0.12 C ATOM 504 N2 DG A 16 4.259 2.809 4.394 1.00 0.13 N ATOM 505 N3 DG A 16 4.051 4.797 3.226 1.00 0.13 N ATOM 506 C4 DG A 16 3.807 5.286 1.988 1.00 0.13 C ATOM 0 H5' DG A 16 2.976 11.464 0.568 1.00 0.15 H new ATOM 0 H5'' DG A 16 2.966 9.807 -0.001 1.00 0.15 H new ATOM 0 H4' DG A 16 2.897 10.702 2.888 1.00 0.12 H new ATOM 0 H3' DG A 16 5.119 10.456 1.127 1.00 0.14 H new ATOM 0 H2' DG A 16 5.590 8.212 1.229 1.00 0.17 H new ATOM 0 H2'' DG A 16 5.943 8.452 2.929 1.00 0.17 H new ATOM 0 H1' DG A 16 4.030 7.381 3.551 1.00 0.15 H new ATOM 0 H8 DG A 16 3.399 7.508 -0.254 1.00 0.13 H new ATOM 0 H1 DG A 16 3.783 1.662 2.277 1.00 0.14 H new ATOM 0 H21 DG A 16 4.449 3.331 5.249 1.00 0.13 H new ATOM 0 H22 DG A 16 4.246 1.789 4.411 1.00 0.13 H new ATOM 518 P DT A 17 6.235 12.068 2.826 1.00 0.21 P ATOM 519 OP1 DT A 17 5.944 13.102 3.845 1.00 0.35 O ATOM 520 OP2 DT A 17 6.121 12.397 1.388 1.00 0.37 O ATOM 521 O5' DT A 17 7.716 11.496 3.096 1.00 0.19 O ATOM 522 C5' DT A 17 8.246 10.446 2.285 1.00 0.17 C ATOM 523 C4' DT A 17 9.185 9.540 3.077 1.00 0.12 C ATOM 524 O4' DT A 17 8.543 9.051 4.280 1.00 0.12 O ATOM 525 C3' DT A 17 9.608 8.330 2.247 1.00 0.12 C ATOM 526 O3' DT A 17 11.033 8.271 2.127 1.00 0.12 O ATOM 527 C2' DT A 17 9.085 7.136 2.993 1.00 0.10 C ATOM 528 C1' DT A 17 8.716 7.622 4.377 1.00 0.09 C ATOM 529 N1 DT A 17 7.488 6.965 4.870 1.00 0.07 N ATOM 530 C2 DT A 17 7.434 5.585 4.802 1.00 0.06 C ATOM 531 O2 DT A 17 8.358 4.916 4.344 1.00 0.07 O ATOM 532 N3 DT A 17 6.278 4.999 5.281 1.00 0.08 N ATOM 533 C4 DT A 17 5.187 5.663 5.813 1.00 0.10 C ATOM 534 O4 DT A 17 4.205 5.039 6.210 1.00 0.13 O ATOM 535 C5 DT A 17 5.333 7.101 5.843 1.00 0.12 C ATOM 536 C7 DT A 17 4.203 7.960 6.404 1.00 0.15 C ATOM 537 C6 DT A 17 6.452 7.698 5.382 1.00 0.12 C ATOM 0 H5' DT A 17 8.782 10.875 1.439 1.00 0.17 H new ATOM 0 H5'' DT A 17 7.428 9.853 1.876 1.00 0.17 H new ATOM 0 H4' DT A 17 10.058 10.139 3.336 1.00 0.12 H new ATOM 0 H3' DT A 17 9.215 8.377 1.231 1.00 0.12 H new ATOM 0 H2' DT A 17 8.218 6.712 2.487 1.00 0.10 H new ATOM 0 H2'' DT A 17 9.839 6.351 3.046 1.00 0.10 H new ATOM 0 H1' DT A 17 9.498 7.374 5.094 1.00 0.09 H new ATOM 0 H3 DT A 17 6.224 3.981 5.238 1.00 0.08 H new ATOM 0 H71 DT A 17 4.619 8.867 6.842 1.00 0.15 H new ATOM 0 H72 DT A 17 3.516 8.227 5.601 1.00 0.15 H new ATOM 0 H73 DT A 17 3.666 7.400 7.170 1.00 0.15 H new ATOM 0 H6 DT A 17 6.531 8.774 5.418 1.00 0.12 H new ATOM 550 P DT A 18 11.804 9.188 1.052 1.00 0.12 P ATOM 551 OP1 DT A 18 13.239 9.222 1.415 1.00 0.13 O ATOM 552 OP2 DT A 18 11.051 10.452 0.897 1.00 0.14 O ATOM 553 O5' DT A 18 11.648 8.338 -0.305 1.00 0.17 O ATOM 554 C5' DT A 18 12.192 8.822 -1.535 1.00 0.15 C ATOM 555 C4' DT A 18 12.275 7.713 -2.582 1.00 0.15 C ATOM 556 O4' DT A 18 13.143 6.651 -2.126 1.00 0.17 O ATOM 557 C3' DT A 18 10.897 7.116 -2.856 1.00 0.13 C ATOM 558 O3' DT A 18 10.595 7.157 -4.255 1.00 0.15 O ATOM 559 C2' DT A 18 10.970 5.694 -2.373 1.00 0.11 C ATOM 560 C1' DT A 18 12.426 5.399 -2.074 1.00 0.14 C ATOM 561 N1 DT A 18 12.575 4.766 -0.750 1.00 0.09 N ATOM 562 C2 DT A 18 12.251 3.427 -0.646 1.00 0.09 C ATOM 563 O2 DT A 18 11.844 2.777 -1.606 1.00 0.16 O ATOM 564 N3 DT A 18 12.411 2.860 0.605 1.00 0.07 N ATOM 565 C4 DT A 18 12.861 3.508 1.742 1.00 0.06 C ATOM 566 O4 DT A 18 12.968 2.905 2.807 1.00 0.10 O ATOM 567 C5 DT A 18 13.174 4.905 1.537 1.00 0.08 C ATOM 568 C7 DT A 18 13.683 5.742 2.707 1.00 0.14 C ATOM 569 C6 DT A 18 13.026 5.480 0.326 1.00 0.10 C ATOM 0 H5' DT A 18 13.186 9.233 -1.358 1.00 0.15 H new ATOM 0 H5'' DT A 18 11.573 9.636 -1.913 1.00 0.15 H new ATOM 0 H4' DT A 18 12.671 8.157 -3.495 1.00 0.15 H new ATOM 0 H3' DT A 18 10.110 7.675 -2.350 1.00 0.13 H new ATOM 0 H2' DT A 18 10.358 5.558 -1.481 1.00 0.11 H new ATOM 0 H2'' DT A 18 10.586 5.010 -3.130 1.00 0.11 H new ATOM 0 H1' DT A 18 12.827 4.700 -2.808 1.00 0.14 H new ATOM 0 H3 DT A 18 12.175 1.872 0.698 1.00 0.07 H new ATOM 0 H71 DT A 18 14.341 6.527 2.334 1.00 0.14 H new ATOM 0 H72 DT A 18 12.838 6.193 3.226 1.00 0.14 H new ATOM 0 H73 DT A 18 14.235 5.104 3.398 1.00 0.14 H new ATOM 0 H6 DT A 18 13.268 6.525 0.203 1.00 0.10 H new ATOM 582 P DA A 19 10.563 8.558 -5.046 1.00 0.06 P ATOM 583 OP1 DA A 19 11.733 8.606 -5.952 1.00 0.08 O ATOM 584 OP2 DA A 19 10.348 9.641 -4.061 1.00 0.08 O ATOM 585 O5' DA A 19 9.235 8.423 -5.945 1.00 0.06 O ATOM 586 C5' DA A 19 7.950 8.744 -5.402 1.00 0.06 C ATOM 587 C4' DA A 19 7.094 7.492 -5.196 1.00 0.06 C ATOM 588 O4' DA A 19 7.686 6.593 -4.229 1.00 0.10 O ATOM 589 C3' DA A 19 5.701 7.848 -4.687 1.00 0.04 C ATOM 590 O3' DA A 19 4.731 7.729 -5.732 1.00 0.18 O ATOM 591 C2' DA A 19 5.421 6.869 -3.577 1.00 0.15 C ATOM 592 C1' DA A 19 6.630 5.961 -3.476 1.00 0.09 C ATOM 593 N9 DA A 19 7.016 5.738 -2.065 1.00 0.10 N ATOM 594 C8 DA A 19 7.294 6.631 -1.082 1.00 0.11 C ATOM 595 N7 DA A 19 7.590 6.162 0.085 1.00 0.10 N ATOM 596 C5 DA A 19 7.503 4.784 -0.134 1.00 0.08 C ATOM 597 C6 DA A 19 7.697 3.675 0.699 1.00 0.07 C ATOM 598 N6 DA A 19 8.036 3.774 1.988 1.00 0.14 N ATOM 599 N1 DA A 19 7.528 2.456 0.154 1.00 0.08 N ATOM 600 C2 DA A 19 7.188 2.332 -1.131 1.00 0.10 C ATOM 601 N3 DA A 19 6.979 3.310 -2.006 1.00 0.10 N ATOM 602 C4 DA A 19 7.155 4.519 -1.440 1.00 0.09 C ATOM 0 H5' DA A 19 7.434 9.432 -6.071 1.00 0.06 H new ATOM 0 H5'' DA A 19 8.076 9.260 -4.450 1.00 0.06 H new ATOM 0 H4' DA A 19 7.032 7.009 -6.171 1.00 0.06 H new ATOM 0 H3' DA A 19 5.648 8.879 -4.338 1.00 0.04 H new ATOM 0 H2' DA A 19 5.250 7.391 -2.635 1.00 0.15 H new ATOM 0 H2'' DA A 19 4.521 6.292 -3.789 1.00 0.15 H new ATOM 0 H1' DA A 19 6.413 4.973 -3.883 1.00 0.09 H new ATOM 0 H8 DA A 19 7.269 7.695 -1.268 1.00 0.11 H new ATOM 0 H61 DA A 19 8.164 2.931 2.548 1.00 0.14 H new ATOM 0 H62 DA A 19 8.166 4.693 2.412 1.00 0.14 H new ATOM 0 H2 DA A 19 7.070 1.324 -1.501 1.00 0.10 H new ATOM 614 P DG A 20 3.169 7.987 -5.433 1.00 0.19 P ATOM 615 OP1 DG A 20 2.898 9.432 -5.599 1.00 0.24 O ATOM 616 OP2 DG A 20 2.822 7.309 -4.164 1.00 0.32 O ATOM 617 O5' DG A 20 2.453 7.197 -6.638 1.00 0.15 O ATOM 618 C5' DG A 20 2.715 5.803 -6.848 1.00 0.19 C ATOM 619 C4' DG A 20 1.799 5.192 -7.897 1.00 0.13 C ATOM 620 O4' DG A 20 2.105 3.791 -8.081 1.00 0.21 O ATOM 621 C3' DG A 20 0.336 5.311 -7.482 1.00 0.09 C ATOM 622 O3' DG A 20 -0.422 5.988 -8.491 1.00 0.18 O ATOM 623 C2' DG A 20 -0.153 3.901 -7.304 1.00 0.18 C ATOM 624 C1' DG A 20 0.948 2.978 -7.792 1.00 0.17 C ATOM 625 N9 DG A 20 1.266 1.959 -6.774 1.00 0.12 N ATOM 626 C8 DG A 20 1.208 0.607 -6.860 1.00 0.12 C ATOM 627 N7 DG A 20 1.539 -0.073 -5.816 1.00 0.08 N ATOM 628 C5 DG A 20 1.863 0.938 -4.906 1.00 0.06 C ATOM 629 C6 DG A 20 2.307 0.843 -3.561 1.00 0.07 C ATOM 630 O6 DG A 20 2.500 -0.171 -2.891 1.00 0.11 O ATOM 631 N1 DG A 20 2.522 2.098 -3.003 1.00 0.08 N ATOM 632 C2 DG A 20 2.331 3.300 -3.655 1.00 0.09 C ATOM 633 N2 DG A 20 2.584 4.402 -2.948 1.00 0.08 N ATOM 634 N3 DG A 20 1.912 3.399 -4.922 1.00 0.10 N ATOM 635 C4 DG A 20 1.699 2.188 -5.486 1.00 0.09 C ATOM 0 H5' DG A 20 2.593 5.267 -5.907 1.00 0.19 H new ATOM 0 H5'' DG A 20 3.753 5.674 -7.156 1.00 0.19 H new ATOM 0 H4' DG A 20 1.961 5.737 -8.827 1.00 0.13 H new ATOM 0 H3' DG A 20 0.224 5.891 -6.566 1.00 0.09 H new ATOM 0 H2' DG A 20 -0.384 3.704 -6.257 1.00 0.18 H new ATOM 0 H2'' DG A 20 -1.070 3.738 -7.870 1.00 0.18 H new ATOM 0 H1' DG A 20 0.626 2.447 -8.688 1.00 0.17 H new ATOM 0 H8 DG A 20 0.896 0.117 -7.771 1.00 0.12 H new ATOM 0 H1 DG A 20 2.846 2.134 -2.037 1.00 0.08 H new ATOM 0 H21 DG A 20 2.462 5.321 -3.374 1.00 0.08 H new ATOM 0 H22 DG A 20 2.900 4.326 -1.981 1.00 0.08 H new ATOM 647 P DG A 21 -1.994 6.271 -8.286 1.00 0.24 P ATOM 648 OP1 DG A 21 -2.434 7.223 -9.330 1.00 0.39 O ATOM 649 OP2 DG A 21 -2.224 6.586 -6.858 1.00 0.31 O ATOM 650 O5' DG A 21 -2.655 4.837 -8.600 1.00 0.15 O ATOM 651 C5' DG A 21 -2.633 4.300 -9.929 1.00 0.13 C ATOM 652 C4' DG A 21 -3.432 3.010 -10.047 1.00 0.10 C ATOM 653 O4' DG A 21 -2.920 2.008 -9.141 1.00 0.14 O ATOM 654 C3' DG A 21 -4.903 3.242 -9.716 1.00 0.07 C ATOM 655 O3' DG A 21 -5.720 3.091 -10.882 1.00 0.12 O ATOM 656 C2' DG A 21 -5.256 2.213 -8.680 1.00 0.12 C ATOM 657 C1' DG A 21 -3.987 1.461 -8.337 1.00 0.12 C ATOM 658 N9 DG A 21 -3.675 1.584 -6.899 1.00 0.10 N ATOM 659 C8 DG A 21 -3.429 2.693 -6.158 1.00 0.11 C ATOM 660 N7 DG A 21 -3.163 2.530 -4.904 1.00 0.16 N ATOM 661 C5 DG A 21 -3.240 1.138 -4.778 1.00 0.16 C ATOM 662 C6 DG A 21 -3.049 0.318 -3.634 1.00 0.20 C ATOM 663 O6 DG A 21 -2.763 0.661 -2.490 1.00 0.28 O ATOM 664 N1 DG A 21 -3.220 -1.027 -3.939 1.00 0.20 N ATOM 665 C2 DG A 21 -3.533 -1.530 -5.184 1.00 0.19 C ATOM 666 N2 DG A 21 -3.653 -2.858 -5.270 1.00 0.26 N ATOM 667 N3 DG A 21 -3.714 -0.765 -6.266 1.00 0.17 N ATOM 668 C4 DG A 21 -3.554 0.552 -5.995 1.00 0.13 C ATOM 0 H5' DG A 21 -1.601 4.113 -10.225 1.00 0.13 H new ATOM 0 H5'' DG A 21 -3.035 5.038 -10.623 1.00 0.13 H new ATOM 0 H4' DG A 21 -3.337 2.668 -11.078 1.00 0.10 H new ATOM 0 H3' DG A 21 -5.073 4.254 -9.349 1.00 0.07 H new ATOM 0 H2' DG A 21 -5.672 2.689 -7.792 1.00 0.12 H new ATOM 0 H2'' DG A 21 -6.016 1.530 -9.061 1.00 0.12 H new ATOM 0 H1' DG A 21 -4.112 0.399 -8.548 1.00 0.12 H new ATOM 0 H8 DG A 21 -3.455 3.678 -6.601 1.00 0.11 H new ATOM 0 H1 DG A 21 -3.104 -1.697 -3.179 1.00 0.20 H new ATOM 0 H21 DG A 21 -3.883 -3.292 -6.164 1.00 0.26 H new ATOM 0 H22 DG A 21 -3.514 -3.437 -4.442 1.00 0.26 H new ATOM 680 P DG A 22 -7.327 3.111 -10.762 1.00 0.04 P ATOM 681 OP1 DG A 22 -7.891 3.247 -12.123 1.00 0.14 O ATOM 682 OP2 DG A 22 -7.700 4.082 -9.708 1.00 0.08 O ATOM 683 O5' DG A 22 -7.660 1.630 -10.224 1.00 0.13 O ATOM 684 C5' DG A 22 -7.591 0.503 -11.109 1.00 0.08 C ATOM 685 C4' DG A 22 -8.089 -0.783 -10.461 1.00 0.08 C ATOM 686 O4' DG A 22 -7.287 -1.125 -9.309 1.00 0.10 O ATOM 687 C3' DG A 22 -9.536 -0.649 -9.999 1.00 0.08 C ATOM 688 O3' DG A 22 -10.420 -1.369 -10.865 1.00 0.21 O ATOM 689 C2' DG A 22 -9.568 -1.217 -8.607 1.00 0.19 C ATOM 690 C1' DG A 22 -8.137 -1.536 -8.218 1.00 0.12 C ATOM 691 N9 DG A 22 -7.767 -0.843 -6.973 1.00 0.09 N ATOM 692 C8 DG A 22 -7.528 0.472 -6.752 1.00 0.10 C ATOM 693 N7 DG A 22 -7.194 0.829 -5.558 1.00 0.10 N ATOM 694 C5 DG A 22 -7.209 -0.395 -4.883 1.00 0.10 C ATOM 695 C6 DG A 22 -6.930 -0.686 -3.524 1.00 0.12 C ATOM 696 O6 DG A 22 -6.601 0.090 -2.628 1.00 0.13 O ATOM 697 N1 DG A 22 -7.065 -2.043 -3.257 1.00 0.11 N ATOM 698 C2 DG A 22 -7.422 -3.005 -4.175 1.00 0.10 C ATOM 699 N2 DG A 22 -7.507 -4.255 -3.713 1.00 0.12 N ATOM 700 N3 DG A 22 -7.686 -2.741 -5.458 1.00 0.10 N ATOM 701 C4 DG A 22 -7.561 -1.424 -5.744 1.00 0.09 C ATOM 0 H5' DG A 22 -6.560 0.365 -11.436 1.00 0.08 H new ATOM 0 H5'' DG A 22 -8.183 0.709 -12.001 1.00 0.08 H new ATOM 0 H4' DG A 22 -8.014 -1.563 -11.219 1.00 0.08 H new ATOM 0 H3' DG A 22 -9.868 0.389 -10.018 1.00 0.08 H new ATOM 0 H2' DG A 22 -10.006 -0.502 -7.910 1.00 0.19 H new ATOM 0 H2'' DG A 22 -10.185 -2.115 -8.572 1.00 0.19 H new ATOM 0 H1' DG A 22 -8.023 -2.604 -8.033 1.00 0.12 H new ATOM 0 H8 DG A 22 -7.614 1.197 -7.548 1.00 0.10 H new ATOM 0 H1 DG A 22 -6.885 -2.352 -2.302 1.00 0.11 H new ATOM 0 H21 DG A 22 -7.767 -5.015 -4.342 1.00 0.12 H new ATOM 0 H22 DG A 22 -7.312 -4.450 -2.731 1.00 0.12 H new ATOM 713 P DT A 23 -12.013 -1.157 -10.762 1.00 0.10 P ATOM 714 OP1 DT A 23 -12.653 -1.910 -11.863 1.00 0.13 O ATOM 715 OP2 DT A 23 -12.278 0.290 -10.606 1.00 0.10 O ATOM 716 O5' DT A 23 -12.377 -1.889 -9.374 1.00 0.17 O ATOM 717 C5' DT A 23 -12.480 -3.314 -9.312 1.00 0.16 C ATOM 718 C4' DT A 23 -12.892 -3.790 -7.920 1.00 0.15 C ATOM 719 O4' DT A 23 -11.935 -3.375 -6.921 1.00 0.13 O ATOM 720 C3' DT A 23 -14.250 -3.226 -7.519 1.00 0.17 C ATOM 721 O3' DT A 23 -15.272 -4.221 -7.628 1.00 0.24 O ATOM 722 C2' DT A 23 -14.089 -2.768 -6.095 1.00 0.15 C ATOM 723 C1' DT A 23 -12.632 -2.974 -5.721 1.00 0.13 C ATOM 724 N1 DT A 23 -12.050 -1.736 -5.156 1.00 0.14 N ATOM 725 C2 DT A 23 -11.626 -1.770 -3.839 1.00 0.15 C ATOM 726 O2 DT A 23 -11.715 -2.784 -3.150 1.00 0.17 O ATOM 727 N3 DT A 23 -11.094 -0.595 -3.340 1.00 0.16 N ATOM 728 C4 DT A 23 -10.951 0.593 -4.034 1.00 0.18 C ATOM 729 O4 DT A 23 -10.464 1.581 -3.489 1.00 0.21 O ATOM 730 C5 DT A 23 -11.420 0.536 -5.400 1.00 0.17 C ATOM 731 C7 DT A 23 -11.324 1.781 -6.278 1.00 0.17 C ATOM 732 C6 DT A 23 -11.942 -0.598 -5.912 1.00 0.16 C ATOM 0 H5' DT A 23 -11.523 -3.760 -9.581 1.00 0.16 H new ATOM 0 H5'' DT A 23 -13.209 -3.659 -10.045 1.00 0.16 H new ATOM 0 H4' DT A 23 -12.938 -4.878 -7.969 1.00 0.15 H new ATOM 0 H3' DT A 23 -14.555 -2.408 -8.172 1.00 0.17 H new ATOM 0 H2' DT A 23 -14.368 -1.719 -5.994 1.00 0.15 H new ATOM 0 H2'' DT A 23 -14.741 -3.336 -5.432 1.00 0.15 H new ATOM 0 HO3' DT A 23 -16.133 -3.836 -7.364 1.00 0.24 H new ATOM 0 H1' DT A 23 -12.539 -3.742 -4.953 1.00 0.13 H new ATOM 0 H3 DT A 23 -10.778 -0.605 -2.370 1.00 0.16 H new ATOM 0 H71 DT A 23 -11.196 1.483 -7.319 1.00 0.17 H new ATOM 0 H72 DT A 23 -12.237 2.368 -6.178 1.00 0.17 H new ATOM 0 H73 DT A 23 -10.470 2.382 -5.965 1.00 0.17 H new ATOM 0 H6 DT A 23 -12.281 -0.609 -6.937 1.00 0.16 H new TER 746 DT A 23