USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 242 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 5 DT C7 :methyl 150:sc= -10.6! (180deg=-10.6!) USER MOD Set 1.2: A 7 DT C7 :methyl 150:sc= -7.76! (180deg=-7.76!) USER MOD Set 2.1: A 1 DT C7 :methyl -30:sc= -9.81! (180deg=-4.72!) USER MOD Set 2.2: A 12 DT C7 :methyl -30:sc= -10.5! (180deg=-7.11!) USER MOD Single : A 1 DT O5' : rot 178:sc= -5.31! USER MOD Single : A 6 DT C7 :methyl -30:sc= -4.78! (180deg=-5.09!) USER MOD Single : A 11 DT C7 :methyl -30:sc= -13.4! (180deg=-14.5!) USER MOD Single : A 16 DT C7 :methyl -30:sc= -0.251 (180deg=-0.609) USER MOD Single : A 17 DT C7 :methyl -30:sc= -5.8! (180deg=-7.6!) USER MOD Single : A 18 DT C7 :methyl -30:sc= -5.72! (180deg=-6.91!) USER MOD Single : A 21 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -4.152 -3.077 5.207 1.00 0.34 O ATOM 2 C5' DT A 1 -2.861 -3.621 4.940 1.00 0.33 C ATOM 3 C4' DT A 1 -2.704 -5.017 5.539 1.00 0.24 C ATOM 4 O4' DT A 1 -3.381 -5.972 4.723 1.00 0.22 O ATOM 5 C3' DT A 1 -1.259 -5.474 5.621 1.00 0.29 C ATOM 6 O3' DT A 1 -0.717 -5.118 6.901 1.00 0.42 O ATOM 7 C2' DT A 1 -1.347 -6.996 5.490 1.00 0.30 C ATOM 8 C1' DT A 1 -2.717 -7.239 4.840 1.00 0.23 C ATOM 9 N1 DT A 1 -2.647 -7.837 3.482 1.00 0.23 N ATOM 10 C2 DT A 1 -2.989 -9.172 3.345 1.00 0.28 C ATOM 11 O2 DT A 1 -3.357 -9.858 4.293 1.00 0.33 O ATOM 12 N3 DT A 1 -2.893 -9.694 2.069 1.00 0.31 N ATOM 13 C4 DT A 1 -2.494 -9.013 0.932 1.00 0.29 C ATOM 14 O4 DT A 1 -2.435 -9.584 -0.153 1.00 0.37 O ATOM 15 C5 DT A 1 -2.163 -7.626 1.169 1.00 0.23 C ATOM 16 C7 DT A 1 -1.738 -6.742 -0.003 1.00 0.25 C ATOM 17 C6 DT A 1 -2.246 -7.092 2.407 1.00 0.21 C ATOM 0 H5' DT A 1 -2.096 -2.961 5.349 1.00 0.33 H new ATOM 0 H5'' DT A 1 -2.700 -3.667 3.863 1.00 0.33 H new ATOM 0 H4' DT A 1 -3.118 -4.955 6.545 1.00 0.24 H new ATOM 0 H3' DT A 1 -0.621 -5.024 4.861 1.00 0.29 H new ATOM 0 H2' DT A 1 -0.538 -7.390 4.874 1.00 0.30 H new ATOM 0 H2'' DT A 1 -1.275 -7.484 6.462 1.00 0.30 H new ATOM 0 HO5' DT A 1 -4.208 -2.171 4.838 1.00 0.34 H new ATOM 0 H1' DT A 1 -3.246 -7.948 5.476 1.00 0.23 H new ATOM 0 H3 DT A 1 -3.140 -10.677 1.954 1.00 0.31 H new ATOM 0 H71 DT A 1 -1.240 -7.352 -0.757 1.00 0.25 H new ATOM 0 H72 DT A 1 -2.618 -6.270 -0.441 1.00 0.25 H new ATOM 0 H73 DT A 1 -1.052 -5.973 0.352 1.00 0.25 H new ATOM 0 H6 DT A 1 -1.990 -6.053 2.551 1.00 0.21 H new ATOM 31 P DG A 2 0.396 -3.954 7.021 1.00 0.50 P ATOM 32 OP1 DG A 2 0.491 -3.540 8.439 1.00 0.86 O ATOM 33 OP2 DG A 2 0.124 -2.947 5.973 1.00 0.84 O ATOM 34 O5' DG A 2 1.752 -4.734 6.632 1.00 0.36 O ATOM 35 C5' DG A 2 3.035 -4.127 6.837 1.00 0.32 C ATOM 36 C4' DG A 2 4.131 -5.176 7.031 1.00 0.31 C ATOM 37 O4' DG A 2 4.122 -6.097 5.938 1.00 0.31 O ATOM 38 C3' DG A 2 5.547 -4.587 7.108 1.00 0.31 C ATOM 39 O3' DG A 2 6.154 -4.975 8.345 1.00 0.39 O ATOM 40 C2' DG A 2 6.298 -5.231 5.941 1.00 0.35 C ATOM 41 C1' DG A 2 5.159 -5.712 5.049 1.00 0.31 C ATOM 42 N9 DG A 2 4.603 -4.679 4.153 1.00 0.27 N ATOM 43 C8 DG A 2 5.129 -3.463 3.803 1.00 0.33 C ATOM 44 N7 DG A 2 4.364 -2.772 3.008 1.00 0.34 N ATOM 45 C5 DG A 2 3.255 -3.585 2.818 1.00 0.26 C ATOM 46 C6 DG A 2 2.088 -3.358 2.047 1.00 0.28 C ATOM 47 O6 DG A 2 1.815 -2.382 1.366 1.00 0.38 O ATOM 48 N1 DG A 2 1.199 -4.419 2.114 1.00 0.26 N ATOM 49 C2 DG A 2 1.427 -5.601 2.860 1.00 0.24 C ATOM 50 N2 DG A 2 0.532 -6.624 2.857 1.00 0.33 N ATOM 51 N3 DG A 2 2.534 -5.787 3.577 1.00 0.22 N ATOM 52 C4 DG A 2 3.393 -4.752 3.512 1.00 0.22 C ATOM 0 H5' DG A 2 2.995 -3.477 7.711 1.00 0.32 H new ATOM 0 H5'' DG A 2 3.281 -3.497 5.982 1.00 0.32 H new ATOM 0 H4' DG A 2 3.906 -5.657 7.983 1.00 0.31 H new ATOM 0 H3' DG A 2 5.554 -3.498 7.056 1.00 0.31 H new ATOM 0 H2' DG A 2 6.942 -4.517 5.428 1.00 0.35 H new ATOM 0 H2'' DG A 2 6.932 -6.054 6.270 1.00 0.35 H new ATOM 0 H1' DG A 2 5.542 -6.504 4.406 1.00 0.31 H new ATOM 0 H8 DG A 2 6.088 -3.111 4.154 1.00 0.33 H new ATOM 0 H1 DG A 2 0.325 -4.344 1.593 1.00 0.26 H new ATOM 0 H21 DG A 2 0.718 -7.466 3.402 1.00 0.33 H new ATOM 0 H22 DG A 2 -0.325 -6.550 2.310 1.00 0.33 H new ATOM 64 P DG A 3 5.838 -4.170 9.703 1.00 0.45 P ATOM 65 OP1 DG A 3 6.626 -4.778 10.798 1.00 0.60 O ATOM 66 OP2 DG A 3 4.369 -4.038 9.834 1.00 0.54 O ATOM 67 O5' DG A 3 6.453 -2.716 9.383 1.00 0.34 O ATOM 68 C5' DG A 3 7.837 -2.580 9.048 1.00 0.31 C ATOM 69 C4' DG A 3 8.100 -1.350 8.185 1.00 0.22 C ATOM 70 O4' DG A 3 7.485 -1.500 6.906 1.00 0.22 O ATOM 71 C3' DG A 3 7.568 -0.029 8.767 1.00 0.19 C ATOM 72 O3' DG A 3 8.653 0.897 8.889 1.00 0.22 O ATOM 73 C2' DG A 3 6.571 0.457 7.731 1.00 0.16 C ATOM 74 C1' DG A 3 7.138 -0.190 6.504 1.00 0.15 C ATOM 75 N9 DG A 3 6.240 -0.260 5.358 1.00 0.15 N ATOM 76 C8 DG A 3 6.606 -0.241 4.068 1.00 0.16 C ATOM 77 N7 DG A 3 5.615 -0.247 3.233 1.00 0.16 N ATOM 78 C5 DG A 3 4.494 -0.273 4.049 1.00 0.13 C ATOM 79 C6 DG A 3 3.127 -0.287 3.696 1.00 0.13 C ATOM 80 O6 DG A 3 2.644 -0.272 2.571 1.00 0.17 O ATOM 81 N1 DG A 3 2.300 -0.311 4.811 1.00 0.13 N ATOM 82 C2 DG A 3 2.767 -0.320 6.151 1.00 0.14 C ATOM 83 N2 DG A 3 1.902 -0.330 7.204 1.00 0.17 N ATOM 84 N3 DG A 3 4.068 -0.308 6.449 1.00 0.14 N ATOM 85 C4 DG A 3 4.864 -0.284 5.361 1.00 0.13 C ATOM 0 H5' DG A 3 8.171 -3.472 8.518 1.00 0.31 H new ATOM 0 H5'' DG A 3 8.426 -2.513 9.963 1.00 0.31 H new ATOM 0 H4' DG A 3 9.187 -1.290 8.130 1.00 0.22 H new ATOM 0 H3' DG A 3 7.116 -0.139 9.753 1.00 0.19 H new ATOM 0 H2' DG A 3 5.554 0.128 7.944 1.00 0.16 H new ATOM 0 H2'' DG A 3 6.545 1.544 7.655 1.00 0.16 H new ATOM 0 H1' DG A 3 7.973 0.415 6.151 1.00 0.15 H new ATOM 0 H8 DG A 3 7.639 -0.222 3.752 1.00 0.16 H new ATOM 0 H1 DG A 3 1.292 -0.323 4.657 1.00 0.13 H new ATOM 0 H21 DG A 3 2.261 -0.336 8.159 1.00 0.17 H new ATOM 0 H22 DG A 3 0.896 -0.331 7.037 1.00 0.17 H new ATOM 97 P DG A 4 8.479 2.275 9.699 1.00 0.24 P ATOM 98 OP1 DG A 4 9.745 3.033 9.600 1.00 0.33 O ATOM 99 OP2 DG A 4 7.911 1.963 11.030 1.00 0.37 O ATOM 100 O5' DG A 4 7.355 3.048 8.842 1.00 0.20 O ATOM 101 C5' DG A 4 7.701 4.095 7.929 1.00 0.21 C ATOM 102 C4' DG A 4 8.506 3.596 6.721 1.00 0.20 C ATOM 103 O4' DG A 4 7.783 2.602 5.977 1.00 0.19 O ATOM 104 C3' DG A 4 8.840 4.709 5.751 1.00 0.21 C ATOM 105 O3' DG A 4 10.138 4.480 5.201 1.00 0.23 O ATOM 106 C2' DG A 4 7.779 4.602 4.677 1.00 0.21 C ATOM 107 C1' DG A 4 7.420 3.132 4.684 1.00 0.18 C ATOM 108 N9 DG A 4 5.992 2.909 4.526 1.00 0.18 N ATOM 109 C8 DG A 4 5.086 2.888 5.507 1.00 0.18 C ATOM 110 N7 DG A 4 3.852 2.758 5.108 1.00 0.20 N ATOM 111 C5 DG A 4 3.975 2.687 3.720 1.00 0.19 C ATOM 112 C6 DG A 4 2.977 2.548 2.719 1.00 0.21 C ATOM 113 O6 DG A 4 1.760 2.452 2.870 1.00 0.23 O ATOM 114 N1 DG A 4 3.529 2.521 1.440 1.00 0.21 N ATOM 115 C2 DG A 4 4.925 2.618 1.169 1.00 0.21 C ATOM 116 N2 DG A 4 5.410 2.566 -0.093 1.00 0.23 N ATOM 117 N3 DG A 4 5.830 2.749 2.130 1.00 0.20 N ATOM 118 C4 DG A 4 5.294 2.776 3.361 1.00 0.18 C ATOM 0 H5' DG A 4 8.280 4.853 8.457 1.00 0.21 H new ATOM 0 H5'' DG A 4 6.790 4.578 7.577 1.00 0.21 H new ATOM 0 H4' DG A 4 9.420 3.178 7.142 1.00 0.20 H new ATOM 0 H3' DG A 4 8.853 5.696 6.214 1.00 0.21 H new ATOM 0 H2' DG A 4 6.915 5.228 4.902 1.00 0.21 H new ATOM 0 H2'' DG A 4 8.158 4.919 3.705 1.00 0.21 H new ATOM 0 H1' DG A 4 7.943 2.654 3.855 1.00 0.18 H new ATOM 0 H8 DG A 4 5.355 2.972 6.550 1.00 0.18 H new ATOM 0 H1 DG A 4 2.894 2.426 0.647 1.00 0.21 H new ATOM 0 H21 DG A 4 6.414 2.638 -0.257 1.00 0.23 H new ATOM 0 H22 DG A 4 4.771 2.455 -0.881 1.00 0.23 H new ATOM 130 P DT A 5 10.920 5.622 4.381 1.00 0.25 P ATOM 131 OP1 DT A 5 11.832 6.314 5.319 1.00 0.33 O ATOM 132 OP2 DT A 5 9.941 6.407 3.598 1.00 0.26 O ATOM 133 O5' DT A 5 11.817 4.748 3.368 1.00 0.26 O ATOM 134 C5' DT A 5 11.306 3.544 2.779 1.00 0.25 C ATOM 135 C4' DT A 5 10.456 3.830 1.543 1.00 0.23 C ATOM 136 O4' DT A 5 9.254 4.488 1.915 1.00 0.22 O ATOM 137 C3' DT A 5 11.141 4.738 0.523 1.00 0.24 C ATOM 138 O3' DT A 5 11.376 4.036 -0.699 1.00 0.27 O ATOM 139 C2' DT A 5 10.157 5.879 0.288 1.00 0.25 C ATOM 140 C1' DT A 5 8.878 5.300 0.820 1.00 0.21 C ATOM 141 N1 DT A 5 7.868 6.250 1.291 1.00 0.21 N ATOM 142 C2 DT A 5 8.005 7.630 1.123 1.00 0.25 C ATOM 143 O2 DT A 5 8.994 8.161 0.626 1.00 0.30 O ATOM 144 N3 DT A 5 6.926 8.385 1.545 1.00 0.27 N ATOM 145 C4 DT A 5 5.762 7.893 2.099 1.00 0.25 C ATOM 146 O4 DT A 5 4.853 8.651 2.430 1.00 0.30 O ATOM 147 C5 DT A 5 5.742 6.453 2.221 1.00 0.20 C ATOM 148 C7 DT A 5 4.523 5.751 2.772 1.00 0.20 C ATOM 149 C6 DT A 5 6.779 5.714 1.823 1.00 0.18 C ATOM 0 H5' DT A 5 10.708 3.006 3.514 1.00 0.25 H new ATOM 0 H5'' DT A 5 12.136 2.893 2.506 1.00 0.25 H new ATOM 0 H4' DT A 5 10.278 2.854 1.090 1.00 0.23 H new ATOM 0 H3' DT A 5 12.109 5.090 0.879 1.00 0.24 H new ATOM 0 H2' DT A 5 10.448 6.785 0.820 1.00 0.25 H new ATOM 0 H2'' DT A 5 10.079 6.140 -0.767 1.00 0.25 H new ATOM 0 H1' DT A 5 8.398 4.784 -0.012 1.00 0.21 H new ATOM 0 H3 DT A 5 6.997 9.397 1.437 1.00 0.27 H new ATOM 0 H71 DT A 5 4.442 4.759 2.327 1.00 0.20 H new ATOM 0 H72 DT A 5 4.615 5.657 3.854 1.00 0.20 H new ATOM 0 H73 DT A 5 3.631 6.330 2.533 1.00 0.20 H new ATOM 0 H6 DT A 5 6.729 4.641 1.938 1.00 0.18 H new ATOM 162 P DT A 6 12.293 4.696 -1.852 1.00 0.31 P ATOM 163 OP1 DT A 6 12.919 3.598 -2.619 1.00 0.38 O ATOM 164 OP2 DT A 6 13.142 5.740 -1.231 1.00 0.38 O ATOM 165 O5' DT A 6 11.211 5.427 -2.799 1.00 0.28 O ATOM 166 C5' DT A 6 10.303 4.650 -3.583 1.00 0.24 C ATOM 167 C4' DT A 6 9.261 5.518 -4.293 1.00 0.24 C ATOM 168 O4' DT A 6 8.412 4.702 -5.081 1.00 0.26 O ATOM 169 C3' DT A 6 8.353 6.310 -3.361 1.00 0.24 C ATOM 170 O3' DT A 6 8.050 7.571 -3.974 1.00 0.28 O ATOM 171 C2' DT A 6 7.081 5.464 -3.255 1.00 0.25 C ATOM 172 C1' DT A 6 7.292 4.336 -4.290 1.00 0.24 C ATOM 173 N1 DT A 6 7.584 2.990 -3.736 1.00 0.21 N ATOM 174 C2 DT A 6 7.676 1.955 -4.651 1.00 0.24 C ATOM 175 O2 DT A 6 7.453 2.116 -5.848 1.00 0.30 O ATOM 176 N3 DT A 6 8.027 0.724 -4.145 1.00 0.25 N ATOM 177 C4 DT A 6 8.296 0.430 -2.826 1.00 0.23 C ATOM 178 O4 DT A 6 8.617 -0.705 -2.494 1.00 0.30 O ATOM 179 C5 DT A 6 8.177 1.562 -1.937 1.00 0.20 C ATOM 180 C7 DT A 6 8.528 1.399 -0.464 1.00 0.23 C ATOM 181 C6 DT A 6 7.824 2.776 -2.397 1.00 0.20 C ATOM 0 H5' DT A 6 9.796 3.930 -2.941 1.00 0.24 H new ATOM 0 H5'' DT A 6 10.863 4.079 -4.324 1.00 0.24 H new ATOM 0 H4' DT A 6 9.845 6.225 -4.882 1.00 0.24 H new ATOM 0 H3' DT A 6 8.801 6.504 -2.386 1.00 0.24 H new ATOM 0 H2' DT A 6 6.951 5.063 -2.250 1.00 0.25 H new ATOM 0 H2'' DT A 6 6.191 6.052 -3.481 1.00 0.25 H new ATOM 0 H1' DT A 6 6.349 4.246 -4.829 1.00 0.24 H new ATOM 0 H3 DT A 6 8.095 -0.045 -4.811 1.00 0.25 H new ATOM 0 H71 DT A 6 8.326 0.374 -0.153 1.00 0.23 H new ATOM 0 H72 DT A 6 9.585 1.622 -0.315 1.00 0.23 H new ATOM 0 H73 DT A 6 7.925 2.084 0.132 1.00 0.23 H new ATOM 0 H6 DT A 6 7.727 3.598 -1.703 1.00 0.20 H new ATOM 194 P DT A 7 7.655 8.863 -3.089 1.00 0.27 P ATOM 195 OP1 DT A 7 8.657 9.922 -3.343 1.00 0.43 O ATOM 196 OP2 DT A 7 7.386 8.418 -1.700 1.00 0.32 O ATOM 197 O5' DT A 7 6.267 9.330 -3.747 1.00 0.21 O ATOM 198 C5' DT A 7 5.067 8.614 -3.464 1.00 0.21 C ATOM 199 C4' DT A 7 3.942 9.000 -4.416 1.00 0.21 C ATOM 200 O4' DT A 7 2.953 7.976 -4.482 1.00 0.21 O ATOM 201 C3' DT A 7 3.233 10.273 -3.994 1.00 0.28 C ATOM 202 O3' DT A 7 3.033 11.139 -5.132 1.00 0.37 O ATOM 203 C2' DT A 7 1.884 9.826 -3.423 1.00 0.30 C ATOM 204 C1' DT A 7 1.885 8.310 -3.592 1.00 0.23 C ATOM 205 N1 DT A 7 2.105 7.557 -2.343 1.00 0.24 N ATOM 206 C2 DT A 7 1.191 7.704 -1.317 1.00 0.32 C ATOM 207 O2 DT A 7 0.224 8.451 -1.395 1.00 0.38 O ATOM 208 N3 DT A 7 1.441 6.962 -0.182 1.00 0.37 N ATOM 209 C4 DT A 7 2.512 6.108 0.009 1.00 0.35 C ATOM 210 O4 DT A 7 2.614 5.454 1.034 1.00 0.44 O ATOM 211 C5 DT A 7 3.407 6.042 -1.116 1.00 0.25 C ATOM 212 C7 DT A 7 4.679 5.232 -1.051 1.00 0.25 C ATOM 213 C6 DT A 7 3.179 6.732 -2.217 1.00 0.21 C ATOM 0 H5' DT A 7 4.759 8.812 -2.437 1.00 0.21 H new ATOM 0 H5'' DT A 7 5.256 7.543 -3.539 1.00 0.21 H new ATOM 0 H4' DT A 7 4.420 9.150 -5.384 1.00 0.21 H new ATOM 0 H3' DT A 7 3.815 10.833 -3.263 1.00 0.28 H new ATOM 0 H2' DT A 7 1.782 10.109 -2.375 1.00 0.30 H new ATOM 0 H2'' DT A 7 1.054 10.285 -3.959 1.00 0.30 H new ATOM 0 H1' DT A 7 0.897 8.035 -3.962 1.00 0.23 H new ATOM 0 H3 DT A 7 0.776 7.051 0.586 1.00 0.37 H new ATOM 0 H71 DT A 7 4.928 4.865 -2.047 1.00 0.25 H new ATOM 0 H72 DT A 7 5.491 5.859 -0.682 1.00 0.25 H new ATOM 0 H73 DT A 7 4.538 4.387 -0.378 1.00 0.25 H new ATOM 0 H6 DT A 7 3.867 6.639 -3.044 1.00 0.21 H new ATOM 226 P DG A 8 2.448 10.604 -6.551 1.00 0.38 P ATOM 227 OP1 DG A 8 3.417 9.640 -7.123 1.00 0.54 O ATOM 228 OP2 DG A 8 2.045 11.787 -7.343 1.00 0.53 O ATOM 229 O5' DG A 8 1.107 9.800 -6.131 1.00 0.33 O ATOM 230 C5' DG A 8 0.163 9.319 -7.108 1.00 0.30 C ATOM 231 C4' DG A 8 0.191 7.798 -7.228 1.00 0.24 C ATOM 232 O4' DG A 8 0.593 7.231 -5.992 1.00 0.23 O ATOM 233 C3' DG A 8 -1.164 7.144 -7.587 1.00 0.24 C ATOM 234 O3' DG A 8 -1.062 6.408 -8.831 1.00 0.26 O ATOM 235 C2' DG A 8 -1.432 6.178 -6.425 1.00 0.25 C ATOM 236 C1' DG A 8 -0.029 5.967 -5.901 1.00 0.21 C ATOM 237 N9 DG A 8 0.133 5.523 -4.515 1.00 0.19 N ATOM 238 C8 DG A 8 1.319 5.240 -3.929 1.00 0.19 C ATOM 239 N7 DG A 8 1.242 4.969 -2.672 1.00 0.17 N ATOM 240 C5 DG A 8 -0.108 5.071 -2.387 1.00 0.14 C ATOM 241 C6 DG A 8 -0.758 4.867 -1.159 1.00 0.13 C ATOM 242 O6 DG A 8 -0.244 4.567 -0.102 1.00 0.16 O ATOM 243 N1 DG A 8 -2.126 5.039 -1.239 1.00 0.15 N ATOM 244 C2 DG A 8 -2.811 5.393 -2.433 1.00 0.17 C ATOM 245 N2 DG A 8 -4.170 5.542 -2.442 1.00 0.23 N ATOM 246 N3 DG A 8 -2.165 5.586 -3.607 1.00 0.17 N ATOM 247 C4 DG A 8 -0.820 5.407 -3.506 1.00 0.16 C ATOM 0 H5' DG A 8 0.386 9.764 -8.078 1.00 0.30 H new ATOM 0 H5'' DG A 8 -0.841 9.643 -6.833 1.00 0.30 H new ATOM 0 H4' DG A 8 0.885 7.600 -8.044 1.00 0.24 H new ATOM 0 H3' DG A 8 -1.958 7.879 -7.721 1.00 0.24 H new ATOM 0 H2' DG A 8 -2.093 6.609 -5.673 1.00 0.25 H new ATOM 0 H2'' DG A 8 -1.893 5.248 -6.759 1.00 0.25 H new ATOM 0 H1' DG A 8 0.389 5.155 -6.496 1.00 0.21 H new ATOM 0 H8 DG A 8 2.253 5.241 -4.470 1.00 0.19 H new ATOM 0 H1 DG A 8 -2.677 4.904 -0.391 1.00 0.15 H new ATOM 0 H21 DG A 8 -4.649 5.796 -3.306 1.00 0.23 H new ATOM 0 H22 DG A 8 -4.704 5.399 -1.585 1.00 0.23 H new ATOM 259 P DG A 9 0.210 5.466 -9.205 1.00 0.27 P ATOM 260 OP1 DG A 9 1.446 6.257 -9.021 1.00 0.41 O ATOM 261 OP2 DG A 9 -0.065 4.830 -10.514 1.00 0.35 O ATOM 262 O5' DG A 9 0.171 4.320 -8.068 1.00 0.24 O ATOM 263 C5' DG A 9 0.799 3.044 -8.275 1.00 0.25 C ATOM 264 C4' DG A 9 2.287 3.049 -7.897 1.00 0.18 C ATOM 265 O4' DG A 9 2.436 3.403 -6.524 1.00 0.17 O ATOM 266 C3' DG A 9 2.961 1.687 -8.077 1.00 0.19 C ATOM 267 O3' DG A 9 3.843 1.719 -9.204 1.00 0.21 O ATOM 268 C2' DG A 9 3.782 1.467 -6.807 1.00 0.21 C ATOM 269 C1' DG A 9 3.583 2.733 -5.998 1.00 0.17 C ATOM 270 N9 DG A 9 3.355 2.495 -4.571 1.00 0.16 N ATOM 271 C8 DG A 9 4.284 2.399 -3.575 1.00 0.18 C ATOM 272 N7 DG A 9 3.770 2.315 -2.392 1.00 0.18 N ATOM 273 C5 DG A 9 2.402 2.344 -2.612 1.00 0.16 C ATOM 274 C6 DG A 9 1.344 2.284 -1.681 1.00 0.16 C ATOM 275 O6 DG A 9 1.420 2.242 -0.459 1.00 0.19 O ATOM 276 N1 DG A 9 0.103 2.331 -2.296 1.00 0.17 N ATOM 277 C2 DG A 9 -0.095 2.436 -3.706 1.00 0.17 C ATOM 278 N2 DG A 9 -1.344 2.485 -4.266 1.00 0.19 N ATOM 279 N3 DG A 9 0.930 2.496 -4.557 1.00 0.16 N ATOM 280 C4 DG A 9 2.134 2.446 -3.946 1.00 0.15 C ATOM 0 H5' DG A 9 0.695 2.758 -9.322 1.00 0.25 H new ATOM 0 H5'' DG A 9 0.281 2.288 -7.685 1.00 0.25 H new ATOM 0 H4' DG A 9 2.760 3.768 -8.565 1.00 0.18 H new ATOM 0 H3' DG A 9 2.228 0.897 -8.243 1.00 0.19 H new ATOM 0 H2' DG A 9 3.438 0.589 -6.260 1.00 0.21 H new ATOM 0 H2'' DG A 9 4.835 1.306 -7.039 1.00 0.21 H new ATOM 0 H1' DG A 9 4.499 3.319 -6.078 1.00 0.17 H new ATOM 0 H8 DG A 9 5.348 2.394 -3.758 1.00 0.18 H new ATOM 0 H1 DG A 9 -0.725 2.288 -1.701 1.00 0.17 H new ATOM 0 H21 DG A 9 -1.447 2.560 -5.278 1.00 0.19 H new ATOM 0 H22 DG A 9 -2.172 2.446 -3.671 1.00 0.19 H new ATOM 292 P DG A 10 4.369 0.340 -9.848 1.00 0.25 P ATOM 293 OP1 DG A 10 5.463 0.655 -10.794 1.00 0.32 O ATOM 294 OP2 DG A 10 3.187 -0.421 -10.310 1.00 0.34 O ATOM 295 O5' DG A 10 4.991 -0.428 -8.573 1.00 0.22 O ATOM 296 C5' DG A 10 6.343 -0.195 -8.159 1.00 0.22 C ATOM 297 C4' DG A 10 6.643 -0.826 -6.798 1.00 0.22 C ATOM 298 O4' DG A 10 5.818 -0.238 -5.786 1.00 0.21 O ATOM 299 C3' DG A 10 6.403 -2.339 -6.741 1.00 0.23 C ATOM 300 O3' DG A 10 7.662 -3.018 -6.619 1.00 0.34 O ATOM 301 C2' DG A 10 5.571 -2.551 -5.471 1.00 0.19 C ATOM 302 C1' DG A 10 5.659 -1.210 -4.764 1.00 0.17 C ATOM 303 N9 DG A 10 4.458 -0.892 -3.972 1.00 0.16 N ATOM 304 C8 DG A 10 3.151 -0.878 -4.375 1.00 0.17 C ATOM 305 N7 DG A 10 2.298 -0.718 -3.406 1.00 0.17 N ATOM 306 C5 DG A 10 3.098 -0.613 -2.275 1.00 0.15 C ATOM 307 C6 DG A 10 2.734 -0.436 -0.916 1.00 0.15 C ATOM 308 O6 DG A 10 1.615 -0.360 -0.435 1.00 0.17 O ATOM 309 N1 DG A 10 3.846 -0.383 -0.099 1.00 0.14 N ATOM 310 C2 DG A 10 5.125 -0.484 -0.516 1.00 0.15 C ATOM 311 N2 DG A 10 6.019 -0.423 0.443 1.00 0.16 N ATOM 312 N3 DG A 10 5.489 -0.651 -1.786 1.00 0.16 N ATOM 313 C4 DG A 10 4.421 -0.709 -2.612 1.00 0.15 C ATOM 0 H5' DG A 10 6.527 0.878 -8.109 1.00 0.22 H new ATOM 0 H5'' DG A 10 7.026 -0.601 -8.905 1.00 0.22 H new ATOM 0 H4' DG A 10 7.704 -0.639 -6.632 1.00 0.22 H new ATOM 0 H3' DG A 10 5.904 -2.721 -7.632 1.00 0.23 H new ATOM 0 H2' DG A 10 4.540 -2.814 -5.706 1.00 0.19 H new ATOM 0 H2'' DG A 10 5.974 -3.356 -4.857 1.00 0.19 H new ATOM 0 H1' DG A 10 6.489 -1.229 -4.057 1.00 0.17 H new ATOM 0 H8 DG A 10 2.853 -0.990 -5.407 1.00 0.17 H new ATOM 0 H1 DG A 10 3.688 -0.257 0.901 1.00 0.14 H new ATOM 0 H21 DG A 10 7.012 -0.491 0.220 1.00 0.16 H new ATOM 0 H22 DG A 10 5.721 -0.308 1.412 1.00 0.16 H new ATOM 325 P DT A 11 7.953 -4.382 -7.433 1.00 0.46 P ATOM 326 OP1 DT A 11 9.419 -4.530 -7.575 1.00 0.65 O ATOM 327 OP2 DT A 11 7.092 -4.390 -8.637 1.00 0.54 O ATOM 328 O5' DT A 11 7.423 -5.534 -6.427 1.00 0.42 O ATOM 329 C5' DT A 11 6.020 -5.799 -6.293 1.00 0.34 C ATOM 330 C4' DT A 11 5.735 -7.011 -5.412 1.00 0.27 C ATOM 331 O4' DT A 11 6.299 -6.813 -4.105 1.00 0.26 O ATOM 332 C3' DT A 11 4.238 -7.270 -5.218 1.00 0.32 C ATOM 333 O3' DT A 11 3.986 -8.679 -5.206 1.00 0.36 O ATOM 334 C2' DT A 11 3.960 -6.689 -3.844 1.00 0.31 C ATOM 335 C1' DT A 11 5.266 -6.992 -3.131 1.00 0.23 C ATOM 336 N1 DT A 11 5.558 -6.101 -1.988 1.00 0.23 N ATOM 337 C2 DT A 11 5.197 -6.533 -0.722 1.00 0.28 C ATOM 338 O2 DT A 11 4.643 -7.612 -0.528 1.00 0.32 O ATOM 339 N3 DT A 11 5.492 -5.674 0.318 1.00 0.32 N ATOM 340 C4 DT A 11 6.103 -4.439 0.207 1.00 0.32 C ATOM 341 O4 DT A 11 6.324 -3.760 1.206 1.00 0.41 O ATOM 342 C5 DT A 11 6.441 -4.070 -1.153 1.00 0.26 C ATOM 343 C7 DT A 11 7.101 -2.720 -1.432 1.00 0.30 C ATOM 344 C6 DT A 11 6.166 -4.892 -2.183 1.00 0.23 C ATOM 0 H5' DT A 11 5.589 -5.963 -7.281 1.00 0.34 H new ATOM 0 H5'' DT A 11 5.527 -4.923 -5.871 1.00 0.34 H new ATOM 0 H4' DT A 11 6.180 -7.864 -5.924 1.00 0.27 H new ATOM 0 H3' DT A 11 3.620 -6.838 -6.005 1.00 0.32 H new ATOM 0 H2' DT A 11 3.750 -5.620 -3.883 1.00 0.31 H new ATOM 0 H2'' DT A 11 3.106 -7.164 -3.360 1.00 0.31 H new ATOM 0 H1' DT A 11 5.202 -8.000 -2.721 1.00 0.23 H new ATOM 0 H3 DT A 11 5.235 -5.979 1.257 1.00 0.32 H new ATOM 0 H71 DT A 11 6.776 -1.995 -0.686 1.00 0.30 H new ATOM 0 H72 DT A 11 8.185 -2.828 -1.385 1.00 0.30 H new ATOM 0 H73 DT A 11 6.814 -2.373 -2.425 1.00 0.30 H new ATOM 0 H6 DT A 11 6.431 -4.590 -3.185 1.00 0.23 H new ATOM 357 P DT A 12 3.866 -9.513 -6.582 1.00 0.38 P ATOM 358 OP1 DT A 12 5.235 -9.810 -7.066 1.00 0.60 O ATOM 359 OP2 DT A 12 2.901 -8.820 -7.465 1.00 0.67 O ATOM 360 O5' DT A 12 3.192 -10.894 -6.087 1.00 0.40 O ATOM 361 C5' DT A 12 2.346 -10.926 -4.926 1.00 0.32 C ATOM 362 C4' DT A 12 0.858 -10.906 -5.290 1.00 0.24 C ATOM 363 O4' DT A 12 0.074 -10.912 -4.098 1.00 0.31 O ATOM 364 C3' DT A 12 0.410 -9.678 -6.058 1.00 0.23 C ATOM 365 O3' DT A 12 -0.816 -9.969 -6.740 1.00 0.26 O ATOM 366 C2' DT A 12 0.154 -8.674 -4.949 1.00 0.23 C ATOM 367 C1' DT A 12 -0.358 -9.568 -3.812 1.00 0.21 C ATOM 368 N1 DT A 12 0.144 -9.212 -2.461 1.00 0.19 N ATOM 369 C2 DT A 12 0.135 -10.200 -1.482 1.00 0.29 C ATOM 370 O2 DT A 12 -0.269 -11.343 -1.689 1.00 0.38 O ATOM 371 N3 DT A 12 0.585 -9.822 -0.237 1.00 0.38 N ATOM 372 C4 DT A 12 1.033 -8.570 0.122 1.00 0.33 C ATOM 373 O4 DT A 12 1.427 -8.355 1.263 1.00 0.44 O ATOM 374 C5 DT A 12 1.001 -7.602 -0.951 1.00 0.21 C ATOM 375 C7 DT A 12 1.397 -6.156 -0.682 1.00 0.20 C ATOM 376 C6 DT A 12 0.575 -7.941 -2.177 1.00 0.18 C ATOM 0 H5' DT A 12 2.574 -10.071 -4.290 1.00 0.32 H new ATOM 0 H5'' DT A 12 2.564 -11.822 -4.345 1.00 0.32 H new ATOM 0 H4' DT A 12 0.718 -11.785 -5.918 1.00 0.24 H new ATOM 0 H3' DT A 12 1.125 -9.333 -6.805 1.00 0.23 H new ATOM 0 H2' DT A 12 1.061 -8.138 -4.668 1.00 0.23 H new ATOM 0 H2'' DT A 12 -0.582 -7.925 -5.240 1.00 0.23 H new ATOM 0 H1' DT A 12 -1.441 -9.445 -3.779 1.00 0.21 H new ATOM 0 H3 DT A 12 0.587 -10.538 0.489 1.00 0.38 H new ATOM 0 H71 DT A 12 1.160 -5.900 0.351 1.00 0.20 H new ATOM 0 H72 DT A 12 2.467 -6.035 -0.849 1.00 0.20 H new ATOM 0 H73 DT A 12 0.848 -5.497 -1.355 1.00 0.20 H new ATOM 0 H6 DT A 12 0.571 -7.196 -2.959 1.00 0.18 H new ATOM 389 P DG A 13 -1.535 -8.864 -7.666 1.00 0.30 P ATOM 390 OP1 DG A 13 -2.395 -9.575 -8.640 1.00 0.41 O ATOM 391 OP2 DG A 13 -0.500 -7.920 -8.146 1.00 0.37 O ATOM 392 O5' DG A 13 -2.490 -8.080 -6.640 1.00 0.27 O ATOM 393 C5' DG A 13 -3.097 -6.844 -7.034 1.00 0.26 C ATOM 394 C4' DG A 13 -3.123 -5.840 -5.889 1.00 0.23 C ATOM 395 O4' DG A 13 -1.900 -5.908 -5.172 1.00 0.20 O ATOM 396 C3' DG A 13 -3.294 -4.385 -6.340 1.00 0.27 C ATOM 397 O3' DG A 13 -4.602 -3.934 -5.985 1.00 0.37 O ATOM 398 C2' DG A 13 -2.246 -3.594 -5.524 1.00 0.24 C ATOM 399 C1' DG A 13 -1.686 -4.645 -4.568 1.00 0.19 C ATOM 400 N9 DG A 13 -0.248 -4.520 -4.331 1.00 0.16 N ATOM 401 C8 DG A 13 0.787 -4.843 -5.159 1.00 0.21 C ATOM 402 N7 DG A 13 1.961 -4.600 -4.650 1.00 0.24 N ATOM 403 C5 DG A 13 1.670 -4.084 -3.390 1.00 0.22 C ATOM 404 C6 DG A 13 2.540 -3.642 -2.364 1.00 0.28 C ATOM 405 O6 DG A 13 3.763 -3.617 -2.363 1.00 0.38 O ATOM 406 N1 DG A 13 1.845 -3.199 -1.249 1.00 0.29 N ATOM 407 C2 DG A 13 0.434 -3.188 -1.135 1.00 0.25 C ATOM 408 N2 DG A 13 -0.183 -2.782 0.004 1.00 0.32 N ATOM 409 N3 DG A 13 -0.358 -3.606 -2.117 1.00 0.19 N ATOM 410 C4 DG A 13 0.320 -4.035 -3.196 1.00 0.16 C ATOM 0 H5' DG A 13 -4.114 -7.031 -7.377 1.00 0.26 H new ATOM 0 H5'' DG A 13 -2.549 -6.422 -7.876 1.00 0.26 H new ATOM 0 H4' DG A 13 -3.986 -6.112 -5.281 1.00 0.23 H new ATOM 0 H3' DG A 13 -3.167 -4.263 -7.416 1.00 0.27 H new ATOM 0 H2' DG A 13 -1.469 -3.176 -6.164 1.00 0.24 H new ATOM 0 H2'' DG A 13 -2.699 -2.761 -4.987 1.00 0.24 H new ATOM 0 H1' DG A 13 -2.187 -4.518 -3.609 1.00 0.19 H new ATOM 0 H8 DG A 13 0.646 -5.261 -6.145 1.00 0.21 H new ATOM 0 H1 DG A 13 2.388 -2.857 -0.456 1.00 0.29 H new ATOM 0 H21 DG A 13 -1.201 -2.783 0.061 1.00 0.32 H new ATOM 0 H22 DG A 13 0.372 -2.475 0.803 1.00 0.32 H new ATOM 422 P DG A 14 -5.909 -4.625 -6.618 1.00 0.29 P ATOM 423 OP1 DG A 14 -6.520 -5.483 -5.581 1.00 0.43 O ATOM 424 OP2 DG A 14 -5.544 -5.203 -7.933 1.00 0.39 O ATOM 425 O5' DG A 14 -6.878 -3.368 -6.868 1.00 0.22 O ATOM 426 C5' DG A 14 -7.608 -2.774 -5.786 1.00 0.20 C ATOM 427 C4' DG A 14 -6.993 -1.454 -5.330 1.00 0.17 C ATOM 428 O4' DG A 14 -6.215 -1.642 -4.159 1.00 0.16 O ATOM 429 C3' DG A 14 -6.055 -0.773 -6.357 1.00 0.20 C ATOM 430 O3' DG A 14 -6.641 0.479 -6.791 1.00 0.26 O ATOM 431 C2' DG A 14 -4.764 -0.539 -5.554 1.00 0.17 C ATOM 432 C1' DG A 14 -5.343 -0.543 -4.166 1.00 0.15 C ATOM 433 N9 DG A 14 -4.437 -0.644 -3.046 1.00 0.15 N ATOM 434 C8 DG A 14 -4.803 -0.603 -1.753 1.00 0.16 C ATOM 435 N7 DG A 14 -3.818 -0.541 -0.929 1.00 0.16 N ATOM 436 C5 DG A 14 -2.704 -0.541 -1.738 1.00 0.14 C ATOM 437 C6 DG A 14 -1.354 -0.474 -1.374 1.00 0.13 C ATOM 438 O6 DG A 14 -0.887 -0.403 -0.243 1.00 0.15 O ATOM 439 N1 DG A 14 -0.521 -0.486 -2.476 1.00 0.13 N ATOM 440 C2 DG A 14 -0.965 -0.575 -3.824 1.00 0.14 C ATOM 441 N2 DG A 14 -0.077 -0.660 -4.856 1.00 0.16 N ATOM 442 N3 DG A 14 -2.262 -0.632 -4.137 1.00 0.14 N ATOM 443 C4 DG A 14 -3.065 -0.610 -3.052 1.00 0.14 C ATOM 0 H5' DG A 14 -7.638 -3.468 -4.946 1.00 0.20 H new ATOM 0 H5'' DG A 14 -8.639 -2.604 -6.096 1.00 0.20 H new ATOM 0 H4' DG A 14 -7.859 -0.811 -5.173 1.00 0.17 H new ATOM 0 H3' DG A 14 -5.881 -1.360 -7.259 1.00 0.20 H new ATOM 0 H2' DG A 14 -4.026 -1.327 -5.704 1.00 0.17 H new ATOM 0 H2'' DG A 14 -4.278 0.404 -5.804 1.00 0.17 H new ATOM 0 H1' DG A 14 -5.793 0.436 -4.002 1.00 0.15 H new ATOM 0 H8 DG A 14 -5.835 -0.621 -1.434 1.00 0.16 H new ATOM 0 H1 DG A 14 0.484 -0.427 -2.311 1.00 0.13 H new ATOM 0 H21 DG A 14 -0.415 -0.723 -5.816 1.00 0.16 H new ATOM 0 H22 DG A 14 0.925 -0.660 -4.667 1.00 0.16 H new ATOM 455 P DG A 15 -6.453 1.900 -6.016 1.00 0.31 P ATOM 456 OP1 DG A 15 -7.526 2.800 -6.486 1.00 0.44 O ATOM 457 OP2 DG A 15 -5.041 2.332 -6.136 1.00 0.40 O ATOM 458 O5' DG A 15 -6.749 1.542 -4.463 1.00 0.28 O ATOM 459 C5' DG A 15 -8.089 1.356 -3.974 1.00 0.24 C ATOM 460 C4' DG A 15 -8.455 2.387 -2.918 1.00 0.18 C ATOM 461 O4' DG A 15 -7.628 2.225 -1.763 1.00 0.22 O ATOM 462 C3' DG A 15 -8.352 3.822 -3.397 1.00 0.21 C ATOM 463 O3' DG A 15 -9.563 4.513 -3.041 1.00 0.24 O ATOM 464 C2' DG A 15 -7.148 4.405 -2.655 1.00 0.24 C ATOM 465 C1' DG A 15 -6.837 3.388 -1.554 1.00 0.19 C ATOM 466 N9 DG A 15 -5.445 2.953 -1.499 1.00 0.16 N ATOM 467 C8 DG A 15 -4.556 2.757 -2.514 1.00 0.17 C ATOM 468 N7 DG A 15 -3.342 2.503 -2.103 1.00 0.17 N ATOM 469 C5 DG A 15 -3.455 2.527 -0.708 1.00 0.15 C ATOM 470 C6 DG A 15 -2.474 2.329 0.299 1.00 0.15 C ATOM 471 O6 DG A 15 -1.277 2.130 0.154 1.00 0.18 O ATOM 472 N1 DG A 15 -3.006 2.433 1.578 1.00 0.15 N ATOM 473 C2 DG A 15 -4.370 2.699 1.856 1.00 0.16 C ATOM 474 N2 DG A 15 -4.850 2.720 3.124 1.00 0.18 N ATOM 475 N3 DG A 15 -5.262 2.891 0.892 1.00 0.16 N ATOM 476 C4 DG A 15 -4.740 2.791 -0.346 1.00 0.15 C ATOM 0 H5' DG A 15 -8.186 0.355 -3.553 1.00 0.24 H new ATOM 0 H5'' DG A 15 -8.791 1.422 -4.805 1.00 0.24 H new ATOM 0 H4' DG A 15 -9.503 2.204 -2.679 1.00 0.18 H new ATOM 0 H3' DG A 15 -8.226 3.910 -4.476 1.00 0.21 H new ATOM 0 H2' DG A 15 -6.297 4.537 -3.324 1.00 0.24 H new ATOM 0 H2'' DG A 15 -7.378 5.384 -2.235 1.00 0.24 H new ATOM 0 H1' DG A 15 -7.057 3.899 -0.617 1.00 0.19 H new ATOM 0 H8 DG A 15 -4.829 2.807 -3.558 1.00 0.17 H new ATOM 0 H1 DG A 15 -2.374 2.310 2.369 1.00 0.15 H new ATOM 0 H21 DG A 15 -5.837 2.915 3.293 1.00 0.18 H new ATOM 0 H22 DG A 15 -4.224 2.541 3.909 1.00 0.18 H new ATOM 488 P DT A 16 -10.938 4.266 -3.868 1.00 0.30 P ATOM 489 OP1 DT A 16 -10.582 3.892 -5.257 1.00 0.36 O ATOM 490 OP2 DT A 16 -11.832 5.423 -3.629 1.00 0.44 O ATOM 491 O5' DT A 16 -11.597 2.972 -3.147 1.00 0.32 O ATOM 492 C5' DT A 16 -11.513 1.659 -3.728 1.00 0.28 C ATOM 493 C4' DT A 16 -12.819 0.872 -3.558 1.00 0.30 C ATOM 494 O4' DT A 16 -13.775 1.310 -4.537 1.00 0.37 O ATOM 495 C3' DT A 16 -12.669 -0.653 -3.700 1.00 0.29 C ATOM 496 O3' DT A 16 -12.944 -1.272 -2.443 1.00 0.33 O ATOM 497 C2' DT A 16 -13.730 -1.061 -4.719 1.00 0.38 C ATOM 498 C1' DT A 16 -14.063 0.242 -5.442 1.00 0.39 C ATOM 499 N1 DT A 16 -13.282 0.469 -6.679 1.00 0.45 N ATOM 500 C2 DT A 16 -13.963 0.822 -7.830 1.00 0.66 C ATOM 501 O2 DT A 16 -15.184 0.941 -7.862 1.00 0.78 O ATOM 502 N3 DT A 16 -13.179 1.030 -8.953 1.00 0.80 N ATOM 503 C4 DT A 16 -11.799 0.915 -9.018 1.00 0.72 C ATOM 504 O4 DT A 16 -11.202 1.117 -10.074 1.00 0.88 O ATOM 505 C5 DT A 16 -11.187 0.543 -7.762 1.00 0.49 C ATOM 506 C7 DT A 16 -9.671 0.387 -7.642 1.00 0.48 C ATOM 507 C6 DT A 16 -11.929 0.338 -6.672 1.00 0.39 C ATOM 0 H5' DT A 16 -10.695 1.109 -3.264 1.00 0.28 H new ATOM 0 H5'' DT A 16 -11.277 1.746 -4.789 1.00 0.28 H new ATOM 0 H4' DT A 16 -13.146 1.072 -2.538 1.00 0.30 H new ATOM 0 H3' DT A 16 -11.667 -0.948 -4.010 1.00 0.29 H new ATOM 0 H2' DT A 16 -13.352 -1.816 -5.409 1.00 0.38 H new ATOM 0 H2'' DT A 16 -14.609 -1.485 -4.233 1.00 0.38 H new ATOM 0 H1' DT A 16 -15.110 0.190 -5.742 1.00 0.39 H new ATOM 0 H3 DT A 16 -13.662 1.292 -9.812 1.00 0.80 H new ATOM 0 H71 DT A 16 -9.261 0.066 -8.600 1.00 0.48 H new ATOM 0 H72 DT A 16 -9.228 1.342 -7.359 1.00 0.48 H new ATOM 0 H73 DT A 16 -9.441 -0.359 -6.881 1.00 0.48 H new ATOM 0 H6 DT A 16 -11.437 0.058 -5.752 1.00 0.39 H new ATOM 520 P DT A 17 -11.998 -2.470 -1.916 1.00 0.35 P ATOM 521 OP1 DT A 17 -12.273 -3.676 -2.735 1.00 0.47 O ATOM 522 OP2 DT A 17 -12.122 -2.531 -0.446 1.00 0.48 O ATOM 523 O5' DT A 17 -10.508 -1.941 -2.269 1.00 0.30 O ATOM 524 C5' DT A 17 -9.497 -2.833 -2.773 1.00 0.28 C ATOM 525 C4' DT A 17 -8.515 -3.260 -1.686 1.00 0.20 C ATOM 526 O4' DT A 17 -7.704 -2.139 -1.309 1.00 0.22 O ATOM 527 C3' DT A 17 -9.179 -3.792 -0.422 1.00 0.18 C ATOM 528 O3' DT A 17 -9.198 -5.228 -0.455 1.00 0.22 O ATOM 529 C2' DT A 17 -8.267 -3.314 0.688 1.00 0.17 C ATOM 530 C1' DT A 17 -7.641 -2.050 0.117 1.00 0.19 C ATOM 531 N1 DT A 17 -8.310 -0.799 0.524 1.00 0.22 N ATOM 532 C2 DT A 17 -7.900 -0.216 1.713 1.00 0.36 C ATOM 533 O2 DT A 17 -6.956 -0.649 2.368 1.00 0.45 O ATOM 534 N3 DT A 17 -8.589 0.915 2.102 1.00 0.44 N ATOM 535 C4 DT A 17 -9.634 1.508 1.420 1.00 0.38 C ATOM 536 O4 DT A 17 -10.183 2.512 1.867 1.00 0.49 O ATOM 537 C5 DT A 17 -9.990 0.836 0.187 1.00 0.25 C ATOM 538 C7 DT A 17 -11.143 1.373 -0.650 1.00 0.29 C ATOM 539 C6 DT A 17 -9.332 -0.268 -0.222 1.00 0.19 C ATOM 0 H5' DT A 17 -8.953 -2.344 -3.581 1.00 0.28 H new ATOM 0 H5'' DT A 17 -9.973 -3.716 -3.198 1.00 0.28 H new ATOM 0 H4' DT A 17 -7.930 -4.071 -2.119 1.00 0.20 H new ATOM 0 H3' DT A 17 -10.209 -3.456 -0.302 1.00 0.18 H new ATOM 0 H2' DT A 17 -8.823 -3.108 1.603 1.00 0.17 H new ATOM 0 H2'' DT A 17 -7.511 -4.060 0.935 1.00 0.17 H new ATOM 0 H1' DT A 17 -6.623 -1.999 0.505 1.00 0.19 H new ATOM 0 H3 DT A 17 -8.299 1.355 2.976 1.00 0.44 H new ATOM 0 H71 DT A 17 -11.874 1.851 0.002 1.00 0.29 H new ATOM 0 H72 DT A 17 -10.764 2.102 -1.366 1.00 0.29 H new ATOM 0 H73 DT A 17 -11.618 0.551 -1.186 1.00 0.29 H new ATOM 0 H6 DT A 17 -9.614 -0.741 -1.151 1.00 0.19 H new ATOM 552 P DT A 18 -9.865 -6.084 0.744 1.00 0.25 P ATOM 553 OP1 DT A 18 -9.922 -7.502 0.322 1.00 0.34 O ATOM 554 OP2 DT A 18 -11.102 -5.393 1.175 1.00 0.30 O ATOM 555 O5' DT A 18 -8.782 -5.961 1.929 1.00 0.22 O ATOM 556 C5' DT A 18 -7.458 -6.475 1.759 1.00 0.21 C ATOM 557 C4' DT A 18 -6.538 -6.032 2.892 1.00 0.20 C ATOM 558 O4' DT A 18 -5.191 -6.348 2.591 1.00 0.21 O ATOM 559 C3' DT A 18 -6.556 -4.539 3.155 1.00 0.18 C ATOM 560 O3' DT A 18 -6.300 -4.301 4.545 1.00 0.19 O ATOM 561 C2' DT A 18 -5.403 -4.001 2.297 1.00 0.17 C ATOM 562 C1' DT A 18 -4.660 -5.272 1.827 1.00 0.18 C ATOM 563 N1 DT A 18 -4.789 -5.631 0.371 1.00 0.17 N ATOM 564 C2 DT A 18 -4.952 -6.979 0.027 1.00 0.22 C ATOM 565 O2 DT A 18 -5.028 -7.880 0.856 1.00 0.27 O ATOM 566 N3 DT A 18 -5.013 -7.261 -1.321 1.00 0.25 N ATOM 567 C4 DT A 18 -4.931 -6.353 -2.352 1.00 0.23 C ATOM 568 O4 DT A 18 -4.976 -6.731 -3.518 1.00 0.29 O ATOM 569 C5 DT A 18 -4.770 -4.985 -1.918 1.00 0.18 C ATOM 570 C7 DT A 18 -4.705 -3.870 -2.958 1.00 0.22 C ATOM 571 C6 DT A 18 -4.700 -4.671 -0.608 1.00 0.16 C ATOM 0 H5' DT A 18 -7.054 -6.134 0.806 1.00 0.21 H new ATOM 0 H5'' DT A 18 -7.491 -7.564 1.720 1.00 0.21 H new ATOM 0 H4' DT A 18 -6.915 -6.560 3.768 1.00 0.20 H new ATOM 0 H3' DT A 18 -7.508 -4.066 2.915 1.00 0.18 H new ATOM 0 H2' DT A 18 -5.772 -3.419 1.452 1.00 0.17 H new ATOM 0 H2'' DT A 18 -4.749 -3.347 2.873 1.00 0.17 H new ATOM 0 H1' DT A 18 -3.597 -5.077 1.970 1.00 0.18 H new ATOM 0 H3 DT A 18 -5.131 -8.240 -1.580 1.00 0.25 H new ATOM 0 H71 DT A 18 -4.272 -4.257 -3.880 1.00 0.22 H new ATOM 0 H72 DT A 18 -5.710 -3.499 -3.157 1.00 0.22 H new ATOM 0 H73 DT A 18 -4.086 -3.056 -2.580 1.00 0.22 H new ATOM 0 H6 DT A 18 -4.571 -3.638 -0.321 1.00 0.16 H new ATOM 584 P DG A 19 -7.310 -4.861 5.678 1.00 0.18 P ATOM 585 OP1 DG A 19 -6.795 -6.167 6.151 1.00 0.27 O ATOM 586 OP2 DG A 19 -8.696 -4.758 5.162 1.00 0.24 O ATOM 587 O5' DG A 19 -7.136 -3.792 6.869 1.00 0.23 O ATOM 588 C5' DG A 19 -5.836 -3.473 7.375 1.00 0.23 C ATOM 589 C4' DG A 19 -5.784 -2.058 7.946 1.00 0.20 C ATOM 590 O4' DG A 19 -4.432 -1.583 7.886 1.00 0.21 O ATOM 591 C3' DG A 19 -6.638 -1.046 7.172 1.00 0.20 C ATOM 592 O3' DG A 19 -7.077 0.031 8.029 1.00 0.22 O ATOM 593 C2' DG A 19 -5.647 -0.502 6.161 1.00 0.18 C ATOM 594 C1' DG A 19 -4.382 -0.459 7.002 1.00 0.17 C ATOM 595 N9 DG A 19 -3.118 -0.518 6.274 1.00 0.14 N ATOM 596 C8 DG A 19 -1.890 -0.501 6.815 1.00 0.15 C ATOM 597 N7 DG A 19 -0.919 -0.482 5.946 1.00 0.14 N ATOM 598 C5 DG A 19 -1.583 -0.488 4.723 1.00 0.13 C ATOM 599 C6 DG A 19 -1.066 -0.473 3.401 1.00 0.13 C ATOM 600 O6 DG A 19 0.107 -0.440 3.047 1.00 0.16 O ATOM 601 N1 DG A 19 -2.074 -0.488 2.449 1.00 0.13 N ATOM 602 C2 DG A 19 -3.464 -0.519 2.762 1.00 0.12 C ATOM 603 N2 DG A 19 -4.431 -0.569 1.811 1.00 0.14 N ATOM 604 N3 DG A 19 -3.907 -0.527 4.008 1.00 0.13 N ATOM 605 C4 DG A 19 -2.933 -0.513 4.922 1.00 0.13 C ATOM 0 H5' DG A 19 -5.101 -3.570 6.576 1.00 0.23 H new ATOM 0 H5'' DG A 19 -5.561 -4.189 8.150 1.00 0.23 H new ATOM 0 H4' DG A 19 -6.172 -2.129 8.962 1.00 0.20 H new ATOM 0 H3' DG A 19 -7.538 -1.487 6.744 1.00 0.20 H new ATOM 0 H2' DG A 19 -5.544 -1.151 5.292 1.00 0.18 H new ATOM 0 H2'' DG A 19 -5.932 0.483 5.791 1.00 0.18 H new ATOM 0 H1' DG A 19 -4.380 0.513 7.496 1.00 0.17 H new ATOM 0 H8 DG A 19 -1.721 -0.503 7.882 1.00 0.15 H new ATOM 0 H1 DG A 19 -1.804 -0.476 1.465 1.00 0.13 H new ATOM 0 H21 DG A 19 -5.414 -0.590 2.084 1.00 0.14 H new ATOM 0 H22 DG A 19 -4.175 -0.586 0.824 1.00 0.14 H new ATOM 617 P DG A 20 -7.640 -0.216 9.524 1.00 0.27 P ATOM 618 OP1 DG A 20 -7.797 -1.671 9.748 1.00 0.30 O ATOM 619 OP2 DG A 20 -8.787 0.693 9.746 1.00 0.39 O ATOM 620 O5' DG A 20 -6.421 0.312 10.431 1.00 0.34 O ATOM 621 C5' DG A 20 -6.220 1.717 10.606 1.00 0.32 C ATOM 622 C4' DG A 20 -4.742 2.077 10.678 1.00 0.26 C ATOM 623 O4' DG A 20 -4.077 1.692 9.464 1.00 0.26 O ATOM 624 C3' DG A 20 -4.484 3.572 10.885 1.00 0.24 C ATOM 625 O3' DG A 20 -3.545 3.746 11.952 1.00 0.30 O ATOM 626 C2' DG A 20 -3.875 4.010 9.570 1.00 0.20 C ATOM 627 C1' DG A 20 -3.187 2.742 9.116 1.00 0.22 C ATOM 628 N9 DG A 20 -2.938 2.673 7.671 1.00 0.20 N ATOM 629 C8 DG A 20 -3.845 2.624 6.652 1.00 0.20 C ATOM 630 N7 DG A 20 -3.305 2.575 5.478 1.00 0.20 N ATOM 631 C5 DG A 20 -1.946 2.590 5.724 1.00 0.20 C ATOM 632 C6 DG A 20 -0.871 2.555 4.810 1.00 0.22 C ATOM 633 O6 DG A 20 -0.930 2.496 3.584 1.00 0.24 O ATOM 634 N1 DG A 20 0.357 2.588 5.447 1.00 0.23 N ATOM 635 C2 DG A 20 0.527 2.647 6.856 1.00 0.24 C ATOM 636 N2 DG A 20 1.773 2.664 7.415 1.00 0.27 N ATOM 637 N3 DG A 20 -0.514 2.680 7.699 1.00 0.23 N ATOM 638 C4 DG A 20 -1.705 2.650 7.067 1.00 0.21 C ATOM 0 H5' DG A 20 -6.718 2.043 11.519 1.00 0.32 H new ATOM 0 H5'' DG A 20 -6.685 2.255 9.780 1.00 0.32 H new ATOM 0 H4' DG A 20 -4.355 1.538 11.543 1.00 0.26 H new ATOM 0 H3' DG A 20 -5.377 4.140 11.145 1.00 0.24 H new ATOM 0 H2' DG A 20 -4.631 4.343 8.859 1.00 0.20 H new ATOM 0 H2'' DG A 20 -3.173 4.834 9.698 1.00 0.20 H new ATOM 0 H1' DG A 20 -2.206 2.686 9.588 1.00 0.22 H new ATOM 0 H8 DG A 20 -4.913 2.626 6.811 1.00 0.20 H new ATOM 0 H1 DG A 20 1.195 2.569 4.866 1.00 0.23 H new ATOM 0 H21 DG A 20 1.877 2.707 8.429 1.00 0.27 H new ATOM 0 H22 DG A 20 2.600 2.634 6.819 1.00 0.27 H new ATOM 650 P DG A 21 -3.239 5.208 12.550 1.00 0.31 P ATOM 651 OP1 DG A 21 -2.353 5.051 13.723 1.00 0.41 O ATOM 652 OP2 DG A 21 -4.525 5.930 12.686 1.00 0.38 O ATOM 653 O5' DG A 21 -2.393 5.894 11.369 1.00 0.30 O ATOM 654 C5' DG A 21 -1.122 5.361 10.988 1.00 0.35 C ATOM 655 C4' DG A 21 -0.655 5.924 9.649 1.00 0.40 C ATOM 656 O4' DG A 21 -1.313 5.286 8.553 1.00 0.31 O ATOM 657 C3' DG A 21 -0.917 7.424 9.475 1.00 0.51 C ATOM 658 O3' DG A 21 0.256 8.194 9.765 1.00 0.72 O ATOM 659 C2' DG A 21 -1.320 7.551 7.997 1.00 0.49 C ATOM 660 C1' DG A 21 -1.074 6.149 7.462 1.00 0.36 C ATOM 661 N9 DG A 21 -1.913 5.784 6.297 1.00 0.26 N ATOM 662 C8 DG A 21 -3.277 5.742 6.155 1.00 0.25 C ATOM 663 N7 DG A 21 -3.671 5.562 4.910 1.00 0.23 N ATOM 664 C5 DG A 21 -2.474 5.472 4.189 1.00 0.19 C ATOM 665 C6 DG A 21 -2.219 5.279 2.785 1.00 0.16 C ATOM 666 O6 DG A 21 -3.005 5.176 1.816 1.00 0.18 O ATOM 667 N1 DG A 21 -0.867 5.245 2.530 1.00 0.16 N ATOM 668 C2 DG A 21 0.157 5.382 3.491 1.00 0.21 C ATOM 669 N2 DG A 21 1.471 5.295 3.151 1.00 0.25 N ATOM 670 N3 DG A 21 -0.101 5.564 4.769 1.00 0.25 N ATOM 671 C4 DG A 21 -1.410 5.598 5.046 1.00 0.22 C ATOM 0 H5' DG A 21 -1.187 4.275 10.924 1.00 0.35 H new ATOM 0 H5'' DG A 21 -0.385 5.591 11.757 1.00 0.35 H new ATOM 0 H4' DG A 21 0.419 5.737 9.653 1.00 0.40 H new ATOM 0 H3' DG A 21 -1.682 7.801 10.154 1.00 0.51 H new ATOM 0 H2' DG A 21 -2.362 7.850 7.886 1.00 0.49 H new ATOM 0 H2'' DG A 21 -0.718 8.295 7.476 1.00 0.49 H new ATOM 0 HO3' DG A 21 0.060 9.147 9.644 1.00 0.72 H new ATOM 0 H1' DG A 21 -0.056 6.076 7.078 1.00 0.36 H new ATOM 0 H8 DG A 21 -3.962 5.846 6.983 1.00 0.25 H new ATOM 0 H1 DG A 21 -0.580 5.109 1.561 1.00 0.16 H new ATOM 0 H21 DG A 21 2.191 5.398 3.866 1.00 0.25 H new ATOM 0 H22 DG A 21 1.737 5.127 2.181 1.00 0.25 H new TER 684 DG A 21