USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 257 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 180:sc= 0 USER MOD Single : A 15 DT C7 :methyl -30:sc= -0.59 (180deg=-0.602) USER MOD Single : A 16 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 23 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.603 2.392 6.562 1.00 0.38 O ATOM 2 C5' DG A 1 -2.250 1.928 6.473 1.00 0.29 C ATOM 3 C4' DG A 1 -2.062 0.562 7.116 1.00 0.16 C ATOM 4 O4' DG A 1 -2.906 -0.425 6.479 1.00 0.20 O ATOM 5 C3' DG A 1 -0.613 0.093 7.004 1.00 0.11 C ATOM 6 O3' DG A 1 0.019 0.051 8.291 1.00 0.12 O ATOM 7 C2' DG A 1 -0.674 -1.268 6.377 1.00 0.10 C ATOM 8 C1' DG A 1 -2.109 -1.513 5.961 1.00 0.13 C ATOM 9 N9 DG A 1 -2.200 -1.576 4.493 1.00 0.11 N ATOM 10 C8 DG A 1 -2.491 -2.624 3.686 1.00 0.12 C ATOM 11 N7 DG A 1 -2.464 -2.420 2.411 1.00 0.10 N ATOM 12 C5 DG A 1 -2.111 -1.067 2.346 1.00 0.09 C ATOM 13 C6 DG A 1 -1.912 -0.229 1.216 1.00 0.09 C ATOM 14 O6 DG A 1 -2.008 -0.519 0.026 1.00 0.10 O ATOM 15 N1 DG A 1 -1.565 1.062 1.593 1.00 0.09 N ATOM 16 C2 DG A 1 -1.426 1.497 2.894 1.00 0.10 C ATOM 17 N2 DG A 1 -1.087 2.775 3.054 1.00 0.08 N ATOM 18 N3 DG A 1 -1.611 0.717 3.962 1.00 0.13 N ATOM 19 C4 DG A 1 -1.949 -0.546 3.618 1.00 0.11 C ATOM 0 H5' DG A 1 -1.589 2.648 6.956 1.00 0.29 H new ATOM 0 H5'' DG A 1 -1.954 1.877 5.425 1.00 0.29 H new ATOM 0 H4' DG A 1 -2.333 0.665 8.167 1.00 0.16 H new ATOM 0 H3' DG A 1 -0.016 0.778 6.403 1.00 0.11 H new ATOM 0 H2' DG A 1 -0.010 -1.323 5.514 1.00 0.10 H new ATOM 0 H2'' DG A 1 -0.344 -2.030 7.083 1.00 0.10 H new ATOM 0 HO5' DG A 1 -3.675 3.272 6.138 1.00 0.38 H new ATOM 0 H1' DG A 1 -2.473 -2.461 6.357 1.00 0.13 H new ATOM 0 H8 DG A 1 -2.736 -3.594 4.093 1.00 0.12 H new ATOM 0 H1 DG A 1 -1.400 1.741 0.850 1.00 0.09 H new ATOM 0 H21 DG A 1 -0.969 3.158 3.992 1.00 0.08 H new ATOM 0 H22 DG A 1 -0.946 3.371 2.238 1.00 0.08 H new ATOM 32 P DG A 2 -0.581 -0.844 9.491 1.00 0.16 P ATOM 33 OP1 DG A 2 -2.051 -0.911 9.333 1.00 0.20 O ATOM 34 OP2 DG A 2 0.001 -0.362 10.763 1.00 0.27 O ATOM 35 O5' DG A 2 0.026 -2.299 9.179 1.00 0.17 O ATOM 36 C5' DG A 2 -0.836 -3.441 9.089 1.00 0.13 C ATOM 37 C4' DG A 2 -0.325 -4.468 8.089 1.00 0.10 C ATOM 38 O4' DG A 2 -0.214 -3.902 6.763 1.00 0.11 O ATOM 39 C3' DG A 2 1.056 -4.982 8.483 1.00 0.11 C ATOM 40 O3' DG A 2 0.969 -6.302 9.029 1.00 0.15 O ATOM 41 C2' DG A 2 1.862 -4.965 7.207 1.00 0.19 C ATOM 42 C1' DG A 2 0.948 -4.457 6.112 1.00 0.13 C ATOM 43 N9 DG A 2 1.636 -3.457 5.273 1.00 0.14 N ATOM 44 C8 DG A 2 2.237 -2.299 5.636 1.00 0.13 C ATOM 45 N7 DG A 2 2.772 -1.588 4.707 1.00 0.11 N ATOM 46 C5 DG A 2 2.506 -2.350 3.570 1.00 0.12 C ATOM 47 C6 DG A 2 2.843 -2.096 2.217 1.00 0.13 C ATOM 48 O6 DG A 2 3.422 -1.114 1.751 1.00 0.11 O ATOM 49 N1 DG A 2 2.399 -3.116 1.380 1.00 0.16 N ATOM 50 C2 DG A 2 1.712 -4.237 1.787 1.00 0.18 C ATOM 51 N2 DG A 2 1.387 -5.106 0.819 1.00 0.24 N ATOM 52 N3 DG A 2 1.382 -4.483 3.066 1.00 0.17 N ATOM 53 C4 DG A 2 1.810 -3.501 3.902 1.00 0.15 C ATOM 0 H5' DG A 2 -1.835 -3.118 8.797 1.00 0.13 H new ATOM 0 H5'' DG A 2 -0.925 -3.905 10.071 1.00 0.13 H new ATOM 0 H4' DG A 2 -1.048 -5.284 8.091 1.00 0.10 H new ATOM 0 H3' DG A 2 1.518 -4.368 9.256 1.00 0.11 H new ATOM 0 H2' DG A 2 2.735 -4.320 7.311 1.00 0.19 H new ATOM 0 H2'' DG A 2 2.230 -5.963 6.970 1.00 0.19 H new ATOM 0 H1' DG A 2 0.654 -5.263 5.440 1.00 0.13 H new ATOM 0 H8 DG A 2 2.266 -1.984 6.669 1.00 0.13 H new ATOM 0 H1 DG A 2 2.599 -3.025 0.384 1.00 0.16 H new ATOM 0 H21 DG A 2 0.877 -5.959 1.049 1.00 0.24 H new ATOM 0 H22 DG A 2 1.650 -4.914 -0.148 1.00 0.24 H new ATOM 65 P DG A 3 2.299 -7.114 9.428 1.00 0.17 P ATOM 66 OP1 DG A 3 1.984 -7.988 10.580 1.00 0.23 O ATOM 67 OP2 DG A 3 3.422 -6.153 9.514 1.00 0.32 O ATOM 68 O5' DG A 3 2.527 -8.043 8.137 1.00 0.17 O ATOM 69 C5' DG A 3 1.409 -8.687 7.514 1.00 0.17 C ATOM 70 C4' DG A 3 1.600 -8.849 6.015 1.00 0.12 C ATOM 71 O4' DG A 3 1.840 -7.567 5.388 1.00 0.17 O ATOM 72 C3' DG A 3 2.790 -9.754 5.707 1.00 0.14 C ATOM 73 O3' DG A 3 2.360 -10.965 5.075 1.00 0.15 O ATOM 74 C2' DG A 3 3.672 -8.955 4.788 1.00 0.14 C ATOM 75 C1' DG A 3 2.925 -7.688 4.448 1.00 0.14 C ATOM 76 N9 DG A 3 3.824 -6.528 4.505 1.00 0.13 N ATOM 77 C8 DG A 3 4.443 -5.951 5.558 1.00 0.13 C ATOM 78 N7 DG A 3 5.208 -4.934 5.320 1.00 0.11 N ATOM 79 C5 DG A 3 5.089 -4.818 3.929 1.00 0.11 C ATOM 80 C6 DG A 3 5.687 -3.895 3.030 1.00 0.11 C ATOM 81 O6 DG A 3 6.465 -2.980 3.280 1.00 0.19 O ATOM 82 N1 DG A 3 5.296 -4.138 1.720 1.00 0.10 N ATOM 83 C2 DG A 3 4.440 -5.142 1.321 1.00 0.10 C ATOM 84 N2 DG A 3 4.181 -5.217 0.025 1.00 0.10 N ATOM 85 N3 DG A 3 3.879 -6.009 2.156 1.00 0.12 N ATOM 86 C4 DG A 3 4.242 -5.793 3.433 1.00 0.12 C ATOM 0 H5' DG A 3 0.506 -8.106 7.703 1.00 0.17 H new ATOM 0 H5'' DG A 3 1.258 -9.667 7.967 1.00 0.17 H new ATOM 0 H4' DG A 3 0.686 -9.295 5.623 1.00 0.12 H new ATOM 0 H3' DG A 3 3.316 -10.051 6.614 1.00 0.14 H new ATOM 0 H2' DG A 3 4.622 -8.725 5.270 1.00 0.14 H new ATOM 0 H2'' DG A 3 3.901 -9.521 3.885 1.00 0.14 H new ATOM 0 H1' DG A 3 2.533 -7.726 3.432 1.00 0.14 H new ATOM 0 H8 DG A 3 4.305 -6.324 6.562 1.00 0.13 H new ATOM 0 H1 DG A 3 5.672 -3.525 0.996 1.00 0.10 H new ATOM 0 H21 DG A 3 3.554 -5.940 -0.329 1.00 0.10 H new ATOM 0 H22 DG A 3 4.608 -4.552 -0.620 1.00 0.10 H new ATOM 98 P DC A 4 3.422 -12.124 4.723 1.00 0.15 P ATOM 99 OP1 DC A 4 2.684 -13.269 4.144 1.00 0.15 O ATOM 100 OP2 DC A 4 4.293 -12.328 5.904 1.00 0.21 O ATOM 101 O5' DC A 4 4.303 -11.451 3.557 1.00 0.15 O ATOM 102 C5' DC A 4 5.535 -12.045 3.139 1.00 0.29 C ATOM 103 C4' DC A 4 6.277 -11.154 2.145 1.00 0.25 C ATOM 104 O4' DC A 4 5.473 -10.931 0.965 1.00 0.15 O ATOM 105 C3' DC A 4 6.603 -9.797 2.764 1.00 0.28 C ATOM 106 O3' DC A 4 8.020 -9.602 2.851 1.00 0.41 O ATOM 107 C2' DC A 4 5.966 -8.774 1.862 1.00 0.24 C ATOM 108 C1' DC A 4 5.368 -9.518 0.685 1.00 0.13 C ATOM 109 N1 DC A 4 3.958 -9.127 0.475 1.00 0.12 N ATOM 110 C2 DC A 4 3.702 -8.111 -0.433 1.00 0.15 C ATOM 111 O2 DC A 4 4.630 -7.569 -1.028 1.00 0.23 O ATOM 112 N3 DC A 4 2.409 -7.740 -0.639 1.00 0.16 N ATOM 113 C4 DC A 4 1.407 -8.341 0.016 1.00 0.16 C ATOM 114 N4 DC A 4 0.152 -7.952 -0.210 1.00 0.24 N ATOM 115 C5 DC A 4 1.666 -9.390 0.955 1.00 0.13 C ATOM 116 C6 DC A 4 2.949 -9.749 1.153 1.00 0.11 C ATOM 0 H5' DC A 4 5.336 -13.014 2.682 1.00 0.29 H new ATOM 0 H5'' DC A 4 6.166 -12.226 4.009 1.00 0.29 H new ATOM 0 H4' DC A 4 7.201 -11.667 1.878 1.00 0.25 H new ATOM 0 H3' DC A 4 6.223 -9.718 3.783 1.00 0.28 H new ATOM 0 H2' DC A 4 5.196 -8.218 2.396 1.00 0.24 H new ATOM 0 H2'' DC A 4 6.705 -8.048 1.522 1.00 0.24 H new ATOM 0 H1' DC A 4 5.906 -9.272 -0.231 1.00 0.13 H new ATOM 0 H41 DC A 4 -0.618 -8.403 0.283 1.00 0.24 H new ATOM 0 H42 DC A 4 -0.038 -7.203 -0.876 1.00 0.24 H new ATOM 0 H5 DC A 4 0.861 -9.876 1.486 1.00 0.13 H new ATOM 0 H6 DC A 4 3.182 -10.536 1.855 1.00 0.11 H new ATOM 128 P DG A 5 8.934 -9.535 1.525 1.00 0.10 P ATOM 129 OP1 DG A 5 8.043 -9.524 0.344 1.00 0.20 O ATOM 130 OP2 DG A 5 9.994 -10.561 1.641 1.00 0.42 O ATOM 131 O5' DG A 5 9.620 -8.085 1.654 1.00 0.42 O ATOM 132 C5' DG A 5 9.402 -7.081 0.653 1.00 0.34 C ATOM 133 C4' DG A 5 9.408 -5.675 1.232 1.00 0.20 C ATOM 134 O4' DG A 5 8.327 -5.499 2.174 1.00 0.24 O ATOM 135 C3' DG A 5 10.714 -5.398 1.964 1.00 0.17 C ATOM 136 O3' DG A 5 11.558 -4.510 1.218 1.00 0.17 O ATOM 137 C2' DG A 5 10.315 -4.784 3.279 1.00 0.16 C ATOM 138 C1' DG A 5 8.800 -4.782 3.333 1.00 0.15 C ATOM 139 N9 DG A 5 8.315 -5.411 4.576 1.00 0.11 N ATOM 140 C8 DG A 5 8.005 -6.706 4.828 1.00 0.21 C ATOM 141 N7 DG A 5 7.594 -7.004 6.016 1.00 0.32 N ATOM 142 C5 DG A 5 7.629 -5.758 6.650 1.00 0.21 C ATOM 143 C6 DG A 5 7.292 -5.407 7.985 1.00 0.27 C ATOM 144 O6 DG A 5 6.890 -6.138 8.886 1.00 0.44 O ATOM 145 N1 DG A 5 7.469 -4.048 8.214 1.00 0.20 N ATOM 146 C2 DG A 5 7.914 -3.135 7.278 1.00 0.19 C ATOM 147 N2 DG A 5 8.018 -1.872 7.691 1.00 0.27 N ATOM 148 N3 DG A 5 8.234 -3.457 6.022 1.00 0.20 N ATOM 149 C4 DG A 5 8.069 -4.777 5.774 1.00 0.12 C ATOM 0 H5' DG A 5 8.447 -7.264 0.160 1.00 0.34 H new ATOM 0 H5'' DG A 5 10.175 -7.160 -0.111 1.00 0.34 H new ATOM 0 H4' DG A 5 9.291 -4.985 0.396 1.00 0.20 H new ATOM 0 H3' DG A 5 11.292 -6.312 2.102 1.00 0.17 H new ATOM 0 H2' DG A 5 10.729 -5.354 4.111 1.00 0.16 H new ATOM 0 H2'' DG A 5 10.704 -3.769 3.363 1.00 0.16 H new ATOM 0 H1' DG A 5 8.421 -3.760 3.329 1.00 0.15 H new ATOM 0 H8 DG A 5 8.098 -7.462 4.063 1.00 0.21 H new ATOM 0 H1 DG A 5 7.253 -3.697 9.147 1.00 0.20 H new ATOM 0 H21 DG A 5 8.341 -1.150 7.047 1.00 0.27 H new ATOM 0 H22 DG A 5 7.774 -1.628 8.651 1.00 0.27 H new ATOM 161 P DC A 6 11.716 -4.670 -0.377 1.00 0.24 P ATOM 162 OP1 DC A 6 11.625 -6.110 -0.711 1.00 0.26 O ATOM 163 OP2 DC A 6 12.892 -3.883 -0.810 1.00 0.29 O ATOM 164 O5' DC A 6 10.388 -3.939 -0.919 1.00 0.25 O ATOM 165 C5' DC A 6 9.920 -4.147 -2.254 1.00 0.30 C ATOM 166 C4' DC A 6 9.642 -2.814 -2.954 1.00 0.28 C ATOM 167 O4' DC A 6 9.013 -1.871 -2.053 1.00 0.22 O ATOM 168 C3' DC A 6 10.926 -2.160 -3.476 1.00 0.28 C ATOM 169 O3' DC A 6 10.960 -2.165 -4.922 1.00 0.30 O ATOM 170 C2' DC A 6 10.910 -0.758 -2.920 1.00 0.24 C ATOM 171 C1' DC A 6 9.549 -0.555 -2.299 1.00 0.20 C ATOM 172 N1 DC A 6 9.634 0.245 -1.053 1.00 0.15 N ATOM 173 C2 DC A 6 9.494 1.621 -1.172 1.00 0.16 C ATOM 174 O2 DC A 6 9.348 2.131 -2.281 1.00 0.24 O ATOM 175 N3 DC A 6 9.523 2.375 -0.039 1.00 0.12 N ATOM 176 C4 DC A 6 9.682 1.807 1.163 1.00 0.08 C ATOM 177 N4 DC A 6 9.704 2.574 2.252 1.00 0.16 N ATOM 178 C5 DC A 6 9.829 0.391 1.292 1.00 0.07 C ATOM 179 C6 DC A 6 9.804 -0.348 0.165 1.00 0.12 C ATOM 0 H5' DC A 6 9.011 -4.748 -2.235 1.00 0.30 H new ATOM 0 H5'' DC A 6 10.662 -4.710 -2.819 1.00 0.30 H new ATOM 0 H4' DC A 6 8.981 -3.048 -3.789 1.00 0.28 H new ATOM 0 H3' DC A 6 11.819 -2.700 -3.162 1.00 0.28 H new ATOM 0 H2' DC A 6 11.698 -0.627 -2.178 1.00 0.24 H new ATOM 0 H2'' DC A 6 11.089 -0.027 -3.708 1.00 0.24 H new ATOM 0 H1' DC A 6 8.896 0.009 -2.965 1.00 0.20 H new ATOM 0 H41 DC A 6 9.825 2.150 3.172 1.00 0.16 H new ATOM 0 H42 DC A 6 9.600 3.585 2.166 1.00 0.16 H new ATOM 0 H5 DC A 6 9.956 -0.071 2.260 1.00 0.07 H new ATOM 0 H6 DC A 6 9.920 -1.420 0.226 1.00 0.12 H new ATOM 191 P DG A 7 10.014 -1.193 -5.809 1.00 0.14 P ATOM 192 OP1 DG A 7 10.886 -0.351 -6.657 1.00 0.32 O ATOM 193 OP2 DG A 7 9.030 -0.555 -4.907 1.00 0.23 O ATOM 194 O5' DG A 7 9.219 -2.222 -6.771 1.00 0.34 O ATOM 195 C5' DG A 7 8.288 -3.145 -6.195 1.00 0.20 C ATOM 196 C4' DG A 7 7.300 -3.747 -7.181 1.00 0.19 C ATOM 197 O4' DG A 7 6.532 -4.761 -6.515 1.00 0.19 O ATOM 198 C3' DG A 7 6.310 -2.700 -7.668 1.00 0.17 C ATOM 199 O3' DG A 7 5.963 -2.944 -9.046 1.00 0.19 O ATOM 200 C2' DG A 7 5.126 -2.853 -6.744 1.00 0.15 C ATOM 201 C1' DG A 7 5.304 -4.175 -6.032 1.00 0.15 C ATOM 202 N9 DG A 7 5.347 -3.992 -4.576 1.00 0.14 N ATOM 203 C8 DG A 7 5.063 -4.882 -3.613 1.00 0.16 C ATOM 204 N7 DG A 7 5.182 -4.497 -2.390 1.00 0.15 N ATOM 205 C5 DG A 7 5.595 -3.171 -2.545 1.00 0.13 C ATOM 206 C6 DG A 7 5.895 -2.184 -1.566 1.00 0.12 C ATOM 207 O6 DG A 7 5.856 -2.286 -0.343 1.00 0.14 O ATOM 208 N1 DG A 7 6.268 -0.981 -2.154 1.00 0.10 N ATOM 209 C2 DG A 7 6.345 -0.751 -3.513 1.00 0.11 C ATOM 210 N2 DG A 7 6.711 0.474 -3.885 1.00 0.11 N ATOM 211 N3 DG A 7 6.065 -1.675 -4.436 1.00 0.13 N ATOM 212 C4 DG A 7 5.698 -2.854 -3.885 1.00 0.14 C ATOM 0 H5' DG A 7 7.731 -2.636 -5.408 1.00 0.20 H new ATOM 0 H5'' DG A 7 8.844 -3.953 -5.720 1.00 0.20 H new ATOM 0 H4' DG A 7 7.868 -4.148 -8.021 1.00 0.19 H new ATOM 0 H3' DG A 7 6.706 -1.685 -7.643 1.00 0.17 H new ATOM 0 H2' DG A 7 5.083 -2.031 -6.030 1.00 0.15 H new ATOM 0 H2'' DG A 7 4.192 -2.837 -7.305 1.00 0.15 H new ATOM 0 H1' DG A 7 4.459 -4.832 -6.239 1.00 0.15 H new ATOM 0 H8 DG A 7 4.746 -5.886 -3.855 1.00 0.16 H new ATOM 0 H1 DG A 7 6.503 -0.207 -1.532 1.00 0.10 H new ATOM 0 H21 DG A 7 6.786 0.705 -4.876 1.00 0.11 H new ATOM 0 H22 DG A 7 6.916 1.181 -3.179 1.00 0.11 H new ATOM 224 P DG A 8 4.429 -3.064 -9.543 1.00 0.10 P ATOM 225 OP1 DG A 8 4.429 -3.639 -10.908 1.00 0.15 O ATOM 226 OP2 DG A 8 3.759 -1.769 -9.290 1.00 0.16 O ATOM 227 O5' DG A 8 3.804 -4.161 -8.534 1.00 0.08 O ATOM 228 C5' DG A 8 4.137 -5.550 -8.670 1.00 0.05 C ATOM 229 C4' DG A 8 3.247 -6.465 -7.828 1.00 0.07 C ATOM 230 O4' DG A 8 3.478 -6.302 -6.403 1.00 0.07 O ATOM 231 C3' DG A 8 1.766 -6.194 -8.079 1.00 0.06 C ATOM 232 O3' DG A 8 1.136 -7.329 -8.689 1.00 0.10 O ATOM 233 C2' DG A 8 1.178 -5.921 -6.718 1.00 0.06 C ATOM 234 C1' DG A 8 2.207 -6.389 -5.720 1.00 0.05 C ATOM 235 N9 DG A 8 2.182 -5.580 -4.475 1.00 0.06 N ATOM 236 C8 DG A 8 1.998 -5.979 -3.186 1.00 0.10 C ATOM 237 N7 DG A 8 2.023 -5.073 -2.262 1.00 0.09 N ATOM 238 C5 DG A 8 2.251 -3.914 -3.015 1.00 0.09 C ATOM 239 C6 DG A 8 2.385 -2.568 -2.586 1.00 0.16 C ATOM 240 O6 DG A 8 2.333 -2.124 -1.440 1.00 0.21 O ATOM 241 N1 DG A 8 2.607 -1.711 -3.658 1.00 0.21 N ATOM 242 C2 DG A 8 2.689 -2.096 -4.982 1.00 0.19 C ATOM 243 N2 DG A 8 2.906 -1.124 -5.866 1.00 0.26 N ATOM 244 N3 DG A 8 2.564 -3.362 -5.395 1.00 0.13 N ATOM 245 C4 DG A 8 2.348 -4.216 -4.370 1.00 0.07 C ATOM 0 H5' DG A 8 5.177 -5.698 -8.381 1.00 0.05 H new ATOM 0 H5'' DG A 8 4.054 -5.837 -9.718 1.00 0.05 H new ATOM 0 H4' DG A 8 3.509 -7.479 -8.131 1.00 0.07 H new ATOM 0 H3' DG A 8 1.616 -5.357 -8.761 1.00 0.06 H new ATOM 0 H2' DG A 8 0.965 -4.860 -6.591 1.00 0.06 H new ATOM 0 H2'' DG A 8 0.236 -6.453 -6.586 1.00 0.06 H new ATOM 0 H1' DG A 8 2.006 -7.408 -5.390 1.00 0.05 H new ATOM 0 H8 DG A 8 1.836 -7.019 -2.942 1.00 0.10 H new ATOM 0 H1 DG A 8 2.718 -0.719 -3.450 1.00 0.21 H new ATOM 0 H21 DG A 8 2.977 -1.344 -6.859 1.00 0.26 H new ATOM 0 H22 DG A 8 3.002 -0.159 -5.550 1.00 0.26 H new ATOM 257 P DG A 9 1.268 -8.799 -8.035 1.00 0.12 P ATOM 258 OP1 DG A 9 2.691 -9.041 -7.707 1.00 0.18 O ATOM 259 OP2 DG A 9 0.541 -9.754 -8.900 1.00 0.17 O ATOM 260 O5' DG A 9 0.452 -8.648 -6.658 1.00 0.14 O ATOM 261 C5' DG A 9 -0.973 -8.785 -6.656 1.00 0.10 C ATOM 262 C4' DG A 9 -1.545 -9.016 -5.265 1.00 0.10 C ATOM 263 O4' DG A 9 -1.058 -8.017 -4.341 1.00 0.15 O ATOM 264 C3' DG A 9 -3.070 -8.939 -5.287 1.00 0.10 C ATOM 265 O3' DG A 9 -3.652 -10.135 -4.756 1.00 0.12 O ATOM 266 C2' DG A 9 -3.418 -7.754 -4.432 1.00 0.08 C ATOM 267 C1' DG A 9 -2.167 -7.388 -3.668 1.00 0.12 C ATOM 268 N9 DG A 9 -1.990 -5.928 -3.608 1.00 0.14 N ATOM 269 C8 DG A 9 -1.694 -5.046 -4.595 1.00 0.18 C ATOM 270 N7 DG A 9 -1.576 -3.802 -4.269 1.00 0.17 N ATOM 271 C5 DG A 9 -1.823 -3.844 -2.894 1.00 0.10 C ATOM 272 C6 DG A 9 -1.842 -2.793 -1.939 1.00 0.09 C ATOM 273 O6 DG A 9 -1.637 -1.595 -2.121 1.00 0.11 O ATOM 274 N1 DG A 9 -2.134 -3.266 -0.666 1.00 0.10 N ATOM 275 C2 DG A 9 -2.378 -4.588 -0.345 1.00 0.12 C ATOM 276 N2 DG A 9 -2.645 -4.847 0.935 1.00 0.20 N ATOM 277 N3 DG A 9 -2.361 -5.580 -1.237 1.00 0.11 N ATOM 278 C4 DG A 9 -2.078 -5.143 -2.484 1.00 0.10 C ATOM 0 H5' DG A 9 -1.254 -9.617 -7.301 1.00 0.10 H new ATOM 0 H5'' DG A 9 -1.420 -7.887 -7.082 1.00 0.10 H new ATOM 0 H4' DG A 9 -1.228 -10.008 -4.944 1.00 0.10 H new ATOM 0 H3' DG A 9 -3.454 -8.836 -6.302 1.00 0.10 H new ATOM 0 H2' DG A 9 -3.755 -6.919 -5.046 1.00 0.08 H new ATOM 0 H2'' DG A 9 -4.232 -7.995 -3.749 1.00 0.08 H new ATOM 0 H1' DG A 9 -2.235 -7.735 -2.637 1.00 0.12 H new ATOM 0 H8 DG A 9 -1.562 -5.372 -5.616 1.00 0.18 H new ATOM 0 H1 DG A 9 -2.171 -2.584 0.092 1.00 0.10 H new ATOM 0 H21 DG A 9 -2.834 -5.804 1.233 1.00 0.20 H new ATOM 0 H22 DG A 9 -2.661 -4.088 1.616 1.00 0.20 H new ATOM 290 P DA A 10 -5.252 -10.288 -4.652 1.00 0.13 P ATOM 291 OP1 DA A 10 -5.560 -11.677 -4.246 1.00 0.15 O ATOM 292 OP2 DA A 10 -5.852 -9.730 -5.886 1.00 0.18 O ATOM 293 O5' DA A 10 -5.621 -9.309 -3.426 1.00 0.11 O ATOM 294 C5' DA A 10 -5.414 -9.732 -2.075 1.00 0.12 C ATOM 295 C4' DA A 10 -5.857 -8.668 -1.073 1.00 0.13 C ATOM 296 O4' DA A 10 -5.092 -7.449 -1.241 1.00 0.15 O ATOM 297 C3' DA A 10 -7.336 -8.320 -1.245 1.00 0.15 C ATOM 298 O3' DA A 10 -8.079 -8.657 -0.067 1.00 0.17 O ATOM 299 C2' DA A 10 -7.370 -6.835 -1.492 1.00 0.17 C ATOM 300 C1' DA A 10 -5.979 -6.315 -1.198 1.00 0.14 C ATOM 301 N9 DA A 10 -5.574 -5.276 -2.170 1.00 0.09 N ATOM 302 C8 DA A 10 -5.483 -5.331 -3.523 1.00 0.07 C ATOM 303 N7 DA A 10 -5.096 -4.263 -4.140 1.00 0.07 N ATOM 304 C5 DA A 10 -4.902 -3.378 -3.075 1.00 0.07 C ATOM 305 C6 DA A 10 -4.484 -2.042 -3.015 1.00 0.10 C ATOM 306 N6 DA A 10 -4.168 -1.325 -4.093 1.00 0.17 N ATOM 307 N1 DA A 10 -4.401 -1.474 -1.800 1.00 0.12 N ATOM 308 C2 DA A 10 -4.708 -2.173 -0.707 1.00 0.12 C ATOM 309 N3 DA A 10 -5.113 -3.437 -0.647 1.00 0.12 N ATOM 310 C4 DA A 10 -5.190 -3.986 -1.875 1.00 0.08 C ATOM 0 H5' DA A 10 -4.359 -9.958 -1.923 1.00 0.12 H new ATOM 0 H5'' DA A 10 -5.967 -10.654 -1.894 1.00 0.12 H new ATOM 0 H4' DA A 10 -5.690 -9.086 -0.080 1.00 0.13 H new ATOM 0 H3' DA A 10 -7.789 -8.877 -2.065 1.00 0.15 H new ATOM 0 H2' DA A 10 -7.654 -6.620 -2.522 1.00 0.17 H new ATOM 0 H2'' DA A 10 -8.108 -6.352 -0.851 1.00 0.17 H new ATOM 0 H1' DA A 10 -5.946 -5.839 -0.218 1.00 0.14 H new ATOM 0 H8 DA A 10 -5.725 -6.234 -4.064 1.00 0.07 H new ATOM 0 H61 DA A 10 -3.869 -0.355 -3.991 1.00 0.17 H new ATOM 0 H62 DA A 10 -4.225 -1.746 -5.020 1.00 0.17 H new ATOM 0 H2 DA A 10 -4.617 -1.653 0.235 1.00 0.12 H new ATOM 322 P DG A 11 -7.747 -7.955 1.343 1.00 0.14 P ATOM 323 OP1 DG A 11 -6.277 -7.830 1.464 1.00 0.25 O ATOM 324 OP2 DG A 11 -8.517 -8.649 2.399 1.00 0.12 O ATOM 325 O5' DG A 11 -8.365 -6.478 1.158 1.00 0.19 O ATOM 326 C5' DG A 11 -9.784 -6.264 1.199 1.00 0.16 C ATOM 327 C4' DG A 11 -10.206 -5.384 2.372 1.00 0.14 C ATOM 328 O4' DG A 11 -10.123 -6.115 3.616 1.00 0.12 O ATOM 329 C3' DG A 11 -9.320 -4.139 2.497 1.00 0.16 C ATOM 330 O3' DG A 11 -10.089 -2.941 2.319 1.00 0.19 O ATOM 331 C2' DG A 11 -8.736 -4.199 3.880 1.00 0.13 C ATOM 332 C1' DG A 11 -9.420 -5.336 4.606 1.00 0.08 C ATOM 333 N9 DG A 11 -8.438 -6.167 5.328 1.00 0.08 N ATOM 334 C8 DG A 11 -7.873 -7.346 4.968 1.00 0.11 C ATOM 335 N7 DG A 11 -7.031 -7.882 5.788 1.00 0.11 N ATOM 336 C5 DG A 11 -7.021 -6.953 6.833 1.00 0.10 C ATOM 337 C6 DG A 11 -6.290 -6.962 8.052 1.00 0.14 C ATOM 338 O6 DG A 11 -5.493 -7.804 8.457 1.00 0.17 O ATOM 339 N1 DG A 11 -6.572 -5.840 8.823 1.00 0.18 N ATOM 340 C2 DG A 11 -7.447 -4.832 8.471 1.00 0.18 C ATOM 341 N2 DG A 11 -7.583 -3.836 9.347 1.00 0.34 N ATOM 342 N3 DG A 11 -8.139 -4.817 7.327 1.00 0.12 N ATOM 343 C4 DG A 11 -7.881 -5.900 6.558 1.00 0.08 C ATOM 0 H5' DG A 11 -10.292 -7.226 1.269 1.00 0.16 H new ATOM 0 H5'' DG A 11 -10.106 -5.801 0.266 1.00 0.16 H new ATOM 0 H4' DG A 11 -11.234 -5.079 2.176 1.00 0.14 H new ATOM 0 H3' DG A 11 -8.544 -4.121 1.732 1.00 0.16 H new ATOM 0 H2' DG A 11 -7.659 -4.363 3.836 1.00 0.13 H new ATOM 0 H2'' DG A 11 -8.894 -3.257 4.405 1.00 0.13 H new ATOM 0 H1' DG A 11 -10.115 -4.949 5.351 1.00 0.08 H new ATOM 0 H8 DG A 11 -8.118 -7.820 4.029 1.00 0.11 H new ATOM 0 H1 DG A 11 -6.094 -5.755 9.720 1.00 0.18 H new ATOM 0 H21 DG A 11 -8.215 -3.061 9.144 1.00 0.34 H new ATOM 0 H22 DG A 11 -7.055 -3.849 10.220 1.00 0.34 H new ATOM 355 P DG A 12 -11.400 -2.657 3.214 1.00 0.23 P ATOM 356 OP1 DG A 12 -11.571 -3.786 4.156 1.00 0.17 O ATOM 357 OP2 DG A 12 -12.507 -2.282 2.306 1.00 0.32 O ATOM 358 O5' DG A 12 -10.981 -1.352 4.063 1.00 0.31 O ATOM 359 C5' DG A 12 -10.508 -1.475 5.414 1.00 0.20 C ATOM 360 C4' DG A 12 -11.201 -0.505 6.360 1.00 0.13 C ATOM 361 O4' DG A 12 -10.687 -0.654 7.701 1.00 0.11 O ATOM 362 C3' DG A 12 -10.980 0.939 5.923 1.00 0.11 C ATOM 363 O3' DG A 12 -12.233 1.622 5.777 1.00 0.13 O ATOM 364 C2' DG A 12 -10.148 1.569 7.006 1.00 0.14 C ATOM 365 C1' DG A 12 -10.037 0.561 8.134 1.00 0.15 C ATOM 366 N9 DG A 12 -8.622 0.300 8.474 1.00 0.19 N ATOM 367 C8 DG A 12 -7.573 -0.034 7.669 1.00 0.19 C ATOM 368 N7 DG A 12 -6.427 -0.220 8.232 1.00 0.21 N ATOM 369 C5 DG A 12 -6.725 0.015 9.577 1.00 0.21 C ATOM 370 C6 DG A 12 -5.877 -0.032 10.718 1.00 0.22 C ATOM 371 O6 DG A 12 -4.678 -0.294 10.766 1.00 0.27 O ATOM 372 N1 DG A 12 -6.573 0.268 11.882 1.00 0.21 N ATOM 373 C2 DG A 12 -7.917 0.576 11.949 1.00 0.21 C ATOM 374 N2 DG A 12 -8.403 0.837 13.162 1.00 0.22 N ATOM 375 N3 DG A 12 -8.721 0.623 10.881 1.00 0.20 N ATOM 376 C4 DG A 12 -8.066 0.333 9.733 1.00 0.20 C ATOM 0 H5' DG A 12 -9.433 -1.296 5.438 1.00 0.20 H new ATOM 0 H5'' DG A 12 -10.669 -2.495 5.761 1.00 0.20 H new ATOM 0 H4' DG A 12 -12.266 -0.735 6.337 1.00 0.13 H new ATOM 0 H3' DG A 12 -10.482 0.995 4.955 1.00 0.11 H new ATOM 0 H2' DG A 12 -9.160 1.832 6.628 1.00 0.14 H new ATOM 0 H2'' DG A 12 -10.611 2.491 7.359 1.00 0.14 H new ATOM 0 H1' DG A 12 -10.516 0.951 9.032 1.00 0.15 H new ATOM 0 H8 DG A 12 -7.697 -0.139 6.601 1.00 0.19 H new ATOM 0 H1 DG A 12 -6.049 0.260 12.757 1.00 0.21 H new ATOM 0 H21 DG A 12 -9.389 1.071 13.277 1.00 0.22 H new ATOM 0 H22 DG A 12 -7.789 0.803 13.976 1.00 0.22 H new ATOM 388 P DA A 13 -13.196 1.854 7.047 1.00 0.11 P ATOM 389 OP1 DA A 13 -12.686 1.039 8.171 1.00 0.15 O ATOM 390 OP2 DA A 13 -14.598 1.699 6.599 1.00 0.18 O ATOM 391 O5' DA A 13 -12.947 3.408 7.397 1.00 0.14 O ATOM 392 C5' DA A 13 -13.827 4.420 6.895 1.00 0.09 C ATOM 393 C4' DA A 13 -13.076 5.466 6.075 1.00 0.08 C ATOM 394 O4' DA A 13 -12.078 6.131 6.883 1.00 0.09 O ATOM 395 C3' DA A 13 -12.381 4.821 4.886 1.00 0.11 C ATOM 396 O3' DA A 13 -12.934 5.295 3.654 1.00 0.08 O ATOM 397 C2' DA A 13 -10.932 5.199 5.002 1.00 0.17 C ATOM 398 C1' DA A 13 -10.772 5.983 6.287 1.00 0.11 C ATOM 399 N9 DA A 13 -9.854 5.293 7.211 1.00 0.12 N ATOM 400 C8 DA A 13 -8.562 4.931 7.032 1.00 0.19 C ATOM 401 N7 DA A 13 -7.975 4.314 8.003 1.00 0.18 N ATOM 402 C5 DA A 13 -8.998 4.250 8.954 1.00 0.12 C ATOM 403 C6 DA A 13 -9.060 3.714 10.245 1.00 0.10 C ATOM 404 N6 DA A 13 -8.027 3.112 10.835 1.00 0.15 N ATOM 405 N1 DA A 13 -10.226 3.824 10.906 1.00 0.08 N ATOM 406 C2 DA A 13 -11.273 4.424 10.334 1.00 0.09 C ATOM 407 N3 DA A 13 -11.324 4.965 9.120 1.00 0.07 N ATOM 408 C4 DA A 13 -10.145 4.843 8.479 1.00 0.09 C ATOM 0 H5' DA A 13 -14.335 4.906 7.728 1.00 0.09 H new ATOM 0 H5'' DA A 13 -14.598 3.958 6.278 1.00 0.09 H new ATOM 0 H4' DA A 13 -13.809 6.192 5.724 1.00 0.08 H new ATOM 0 H3' DA A 13 -12.511 3.739 4.888 1.00 0.11 H new ATOM 0 H2' DA A 13 -10.303 4.309 5.014 1.00 0.17 H new ATOM 0 H2'' DA A 13 -10.621 5.798 4.146 1.00 0.17 H new ATOM 0 H1' DA A 13 -10.342 6.962 6.075 1.00 0.11 H new ATOM 0 H8 DA A 13 -8.041 5.150 6.111 1.00 0.19 H new ATOM 0 H61 DA A 13 -8.126 2.738 11.779 1.00 0.15 H new ATOM 0 H62 DA A 13 -7.138 3.025 10.342 1.00 0.15 H new ATOM 0 H2 DA A 13 -12.178 4.476 10.922 1.00 0.09 H new ATOM 420 P DA A 14 -12.456 4.676 2.248 1.00 0.06 P ATOM 421 OP1 DA A 14 -13.313 5.236 1.179 1.00 0.25 O ATOM 422 OP2 DA A 14 -12.339 3.208 2.404 1.00 0.23 O ATOM 423 O5' DA A 14 -10.975 5.285 2.076 1.00 0.12 O ATOM 424 C5' DA A 14 -10.282 5.171 0.829 1.00 0.10 C ATOM 425 C4' DA A 14 -8.826 4.761 1.027 1.00 0.07 C ATOM 426 O4' DA A 14 -8.747 3.525 1.773 1.00 0.07 O ATOM 427 C3' DA A 14 -8.131 4.550 -0.315 1.00 0.09 C ATOM 428 O3' DA A 14 -6.929 5.325 -0.398 1.00 0.14 O ATOM 429 C2' DA A 14 -7.832 3.080 -0.389 1.00 0.06 C ATOM 430 C1' DA A 14 -8.126 2.495 0.978 1.00 0.04 C ATOM 431 N9 DA A 14 -9.007 1.318 0.864 1.00 0.03 N ATOM 432 C8 DA A 14 -8.798 0.042 1.265 1.00 0.07 C ATOM 433 N7 DA A 14 -9.736 -0.816 1.041 1.00 0.05 N ATOM 434 C5 DA A 14 -10.699 -0.019 0.411 1.00 0.09 C ATOM 435 C6 DA A 14 -11.970 -0.297 -0.103 1.00 0.16 C ATOM 436 N6 DA A 14 -12.524 -1.509 -0.069 1.00 0.13 N ATOM 437 N1 DA A 14 -12.651 0.723 -0.658 1.00 0.25 N ATOM 438 C2 DA A 14 -12.116 1.945 -0.705 1.00 0.25 C ATOM 439 N3 DA A 14 -10.923 2.318 -0.250 1.00 0.17 N ATOM 440 C4 DA A 14 -10.262 1.280 0.300 1.00 0.10 C ATOM 0 H5' DA A 14 -10.323 6.124 0.302 1.00 0.10 H new ATOM 0 H5'' DA A 14 -10.784 4.437 0.200 1.00 0.10 H new ATOM 0 H4' DA A 14 -8.333 5.565 1.574 1.00 0.07 H new ATOM 0 H3' DA A 14 -8.758 4.872 -1.146 1.00 0.09 H new ATOM 0 H2' DA A 14 -8.444 2.601 -1.153 1.00 0.06 H new ATOM 0 H2'' DA A 14 -6.791 2.912 -0.664 1.00 0.06 H new ATOM 0 H1' DA A 14 -7.203 2.161 1.451 1.00 0.04 H new ATOM 0 H8 DA A 14 -7.880 -0.248 1.755 1.00 0.07 H new ATOM 0 H61 DA A 14 -13.455 -1.655 -0.459 1.00 0.13 H new ATOM 0 H62 DA A 14 -12.017 -2.290 0.347 1.00 0.13 H new ATOM 0 H2 DA A 14 -12.718 2.716 -1.163 1.00 0.25 H new ATOM 452 P DT A 15 -6.823 6.558 -1.432 1.00 0.13 P ATOM 453 OP1 DT A 15 -7.620 7.682 -0.892 1.00 0.12 O ATOM 454 OP2 DT A 15 -7.099 6.045 -2.792 1.00 0.15 O ATOM 455 O5' DT A 15 -5.267 6.960 -1.351 1.00 0.10 O ATOM 456 C5' DT A 15 -4.609 7.549 -2.478 1.00 0.11 C ATOM 457 C4' DT A 15 -3.851 6.502 -3.294 1.00 0.11 C ATOM 458 O4' DT A 15 -3.142 5.596 -2.418 1.00 0.13 O ATOM 459 C3' DT A 15 -4.798 5.679 -4.167 1.00 0.10 C ATOM 460 O3' DT A 15 -4.462 5.804 -5.558 1.00 0.09 O ATOM 461 C2' DT A 15 -4.642 4.259 -3.702 1.00 0.12 C ATOM 462 C1' DT A 15 -3.496 4.230 -2.716 1.00 0.09 C ATOM 463 N1 DT A 15 -3.888 3.504 -1.496 1.00 0.12 N ATOM 464 C2 DT A 15 -3.827 2.123 -1.528 1.00 0.13 C ATOM 465 O2 DT A 15 -3.452 1.506 -2.525 1.00 0.14 O ATOM 466 N3 DT A 15 -4.225 1.473 -0.378 1.00 0.17 N ATOM 467 C4 DT A 15 -4.673 2.074 0.785 1.00 0.19 C ATOM 468 O4 DT A 15 -5.004 1.396 1.754 1.00 0.24 O ATOM 469 C5 DT A 15 -4.705 3.518 0.724 1.00 0.17 C ATOM 470 C7 DT A 15 -5.220 4.310 1.919 1.00 0.17 C ATOM 471 C6 DT A 15 -4.319 4.176 -0.386 1.00 0.16 C ATOM 0 H5' DT A 15 -3.915 8.317 -2.135 1.00 0.11 H new ATOM 0 H5'' DT A 15 -5.344 8.044 -3.112 1.00 0.11 H new ATOM 0 H4' DT A 15 -3.150 7.040 -3.932 1.00 0.11 H new ATOM 0 H3' DT A 15 -5.828 6.023 -4.073 1.00 0.10 H new ATOM 0 H2' DT A 15 -5.560 3.905 -3.234 1.00 0.12 H new ATOM 0 H2'' DT A 15 -4.440 3.599 -4.545 1.00 0.12 H new ATOM 0 H1' DT A 15 -2.637 3.708 -3.138 1.00 0.09 H new ATOM 0 H3 DT A 15 -4.185 0.454 -0.386 1.00 0.17 H new ATOM 0 H71 DT A 15 -5.967 3.721 2.451 1.00 0.17 H new ATOM 0 H72 DT A 15 -4.391 4.537 2.590 1.00 0.17 H new ATOM 0 H73 DT A 15 -5.671 5.240 1.572 1.00 0.17 H new ATOM 0 H6 DT A 15 -4.351 5.255 -0.400 1.00 0.16 H new ATOM 484 P DT A 16 -2.981 5.457 -6.095 1.00 0.09 P ATOM 485 OP1 DT A 16 -2.254 4.741 -5.023 1.00 0.12 O ATOM 486 OP2 DT A 16 -2.403 6.686 -6.684 1.00 0.12 O ATOM 487 O5' DT A 16 -3.269 4.414 -7.290 1.00 0.10 O ATOM 488 C5' DT A 16 -3.830 3.131 -7.005 1.00 0.10 C ATOM 489 C4' DT A 16 -3.909 2.245 -8.245 1.00 0.09 C ATOM 490 O4' DT A 16 -4.478 0.960 -7.904 1.00 0.16 O ATOM 491 C3' DT A 16 -4.783 2.878 -9.328 1.00 0.11 C ATOM 492 O3' DT A 16 -4.064 3.017 -10.562 1.00 0.11 O ATOM 493 C2' DT A 16 -5.956 1.952 -9.501 1.00 0.19 C ATOM 494 C1' DT A 16 -5.727 0.752 -8.599 1.00 0.19 C ATOM 495 N1 DT A 16 -6.843 0.578 -7.634 1.00 0.17 N ATOM 496 C2 DT A 16 -7.438 -0.670 -7.564 1.00 0.12 C ATOM 497 O2 DT A 16 -7.086 -1.603 -8.282 1.00 0.13 O ATOM 498 N3 DT A 16 -8.457 -0.808 -6.639 1.00 0.11 N ATOM 499 C4 DT A 16 -8.925 0.178 -5.787 1.00 0.12 C ATOM 500 O4 DT A 16 -9.840 -0.056 -5.000 1.00 0.18 O ATOM 501 C5 DT A 16 -8.246 1.446 -5.928 1.00 0.15 C ATOM 502 C7 DT A 16 -8.650 2.622 -5.041 1.00 0.20 C ATOM 503 C6 DT A 16 -7.253 1.607 -6.824 1.00 0.18 C ATOM 0 H5' DT A 16 -4.829 3.258 -6.588 1.00 0.10 H new ATOM 0 H5'' DT A 16 -3.228 2.634 -6.244 1.00 0.10 H new ATOM 0 H4' DT A 16 -2.893 2.127 -8.623 1.00 0.09 H new ATOM 0 H3' DT A 16 -5.098 3.881 -9.041 1.00 0.11 H new ATOM 0 H2' DT A 16 -6.885 2.457 -9.238 1.00 0.19 H new ATOM 0 H2'' DT A 16 -6.047 1.638 -10.541 1.00 0.19 H new ATOM 0 H1' DT A 16 -5.685 -0.158 -9.197 1.00 0.19 H new ATOM 0 H3 DT A 16 -8.906 -1.722 -6.579 1.00 0.11 H new ATOM 0 H71 DT A 16 -7.786 3.265 -4.873 1.00 0.20 H new ATOM 0 H72 DT A 16 -9.437 3.194 -5.532 1.00 0.20 H new ATOM 0 H73 DT A 16 -9.016 2.248 -4.085 1.00 0.20 H new ATOM 0 H6 DT A 16 -6.768 2.569 -6.907 1.00 0.18 H new ATOM 516 P DG A 17 -3.111 1.837 -11.109 1.00 0.08 P ATOM 517 OP1 DG A 17 -3.208 1.809 -12.586 1.00 0.24 O ATOM 518 OP2 DG A 17 -3.390 0.613 -10.326 1.00 0.16 O ATOM 519 O5' DG A 17 -1.644 2.370 -10.709 1.00 0.24 O ATOM 520 C5' DG A 17 -0.631 1.469 -10.238 1.00 0.16 C ATOM 521 C4' DG A 17 0.702 2.168 -10.033 1.00 0.10 C ATOM 522 O4' DG A 17 0.585 3.146 -8.974 1.00 0.12 O ATOM 523 C3' DG A 17 1.799 1.183 -9.629 1.00 0.09 C ATOM 524 O3' DG A 17 3.011 1.475 -10.359 1.00 0.07 O ATOM 525 C2' DG A 17 1.960 1.400 -8.158 1.00 0.07 C ATOM 526 C1' DG A 17 1.503 2.816 -7.914 1.00 0.07 C ATOM 527 N9 DG A 17 0.886 2.988 -6.591 1.00 0.09 N ATOM 528 C8 DG A 17 0.821 4.107 -5.850 1.00 0.10 C ATOM 529 N7 DG A 17 0.261 4.032 -4.690 1.00 0.13 N ATOM 530 C5 DG A 17 -0.104 2.683 -4.639 1.00 0.09 C ATOM 531 C6 DG A 17 -0.765 1.959 -3.612 1.00 0.10 C ATOM 532 O6 DG A 17 -1.157 2.370 -2.523 1.00 0.16 O ATOM 533 N1 DG A 17 -0.942 0.625 -3.961 1.00 0.15 N ATOM 534 C2 DG A 17 -0.533 0.054 -5.153 1.00 0.21 C ATOM 535 N2 DG A 17 -0.794 -1.244 -5.304 1.00 0.33 N ATOM 536 N3 DG A 17 0.092 0.731 -6.124 1.00 0.18 N ATOM 537 C4 DG A 17 0.273 2.033 -5.805 1.00 0.11 C ATOM 0 H5' DG A 17 -0.508 0.656 -10.954 1.00 0.16 H new ATOM 0 H5'' DG A 17 -0.953 1.020 -9.298 1.00 0.16 H new ATOM 0 H4' DG A 17 0.967 2.639 -10.980 1.00 0.10 H new ATOM 0 H3' DG A 17 1.559 0.144 -9.853 1.00 0.09 H new ATOM 0 H2' DG A 17 1.362 0.690 -7.588 1.00 0.07 H new ATOM 0 H2'' DG A 17 2.997 1.263 -7.851 1.00 0.07 H new ATOM 0 H1' DG A 17 2.360 3.490 -7.917 1.00 0.07 H new ATOM 0 H8 DG A 17 1.225 5.040 -6.214 1.00 0.10 H new ATOM 0 H1 DG A 17 -1.410 0.020 -3.286 1.00 0.15 H new ATOM 0 H21 DG A 17 -0.518 -1.723 -6.161 1.00 0.33 H new ATOM 0 H22 DG A 17 -1.270 -1.758 -4.563 1.00 0.33 H new ATOM 549 P DG A 18 4.443 1.649 -9.628 1.00 0.09 P ATOM 550 OP1 DG A 18 5.457 1.946 -10.664 1.00 0.14 O ATOM 551 OP2 DG A 18 4.638 0.502 -8.715 1.00 0.14 O ATOM 552 O5' DG A 18 4.237 2.977 -8.731 1.00 0.09 O ATOM 553 C5' DG A 18 4.323 4.281 -9.326 1.00 0.08 C ATOM 554 C4' DG A 18 4.846 5.341 -8.363 1.00 0.08 C ATOM 555 O4' DG A 18 4.120 5.288 -7.115 1.00 0.10 O ATOM 556 C3' DG A 18 6.327 5.134 -8.056 1.00 0.13 C ATOM 557 O3' DG A 18 7.051 6.359 -8.239 1.00 0.19 O ATOM 558 C2' DG A 18 6.378 4.685 -6.623 1.00 0.18 C ATOM 559 C1' DG A 18 5.005 4.915 -6.036 1.00 0.11 C ATOM 560 N9 DG A 18 4.528 3.697 -5.366 1.00 0.12 N ATOM 561 C8 DG A 18 4.253 2.477 -5.887 1.00 0.15 C ATOM 562 N7 DG A 18 3.864 1.553 -5.073 1.00 0.20 N ATOM 563 C5 DG A 18 3.877 2.231 -3.848 1.00 0.17 C ATOM 564 C6 DG A 18 3.550 1.768 -2.545 1.00 0.23 C ATOM 565 O6 DG A 18 3.177 0.649 -2.204 1.00 0.31 O ATOM 566 N1 DG A 18 3.699 2.772 -1.597 1.00 0.21 N ATOM 567 C2 DG A 18 4.111 4.062 -1.861 1.00 0.16 C ATOM 568 N2 DG A 18 4.196 4.881 -0.814 1.00 0.19 N ATOM 569 N3 DG A 18 4.420 4.505 -3.081 1.00 0.12 N ATOM 570 C4 DG A 18 4.282 3.545 -4.023 1.00 0.11 C ATOM 0 H5' DG A 18 3.337 4.577 -9.683 1.00 0.08 H new ATOM 0 H5'' DG A 18 4.977 4.235 -10.197 1.00 0.08 H new ATOM 0 H4' DG A 18 4.707 6.308 -8.846 1.00 0.08 H new ATOM 0 H3' DG A 18 6.785 4.401 -8.720 1.00 0.13 H new ATOM 0 H2' DG A 18 6.653 3.632 -6.559 1.00 0.18 H new ATOM 0 H2'' DG A 18 7.132 5.246 -6.070 1.00 0.18 H new ATOM 0 H1' DG A 18 5.036 5.709 -5.290 1.00 0.11 H new ATOM 0 H8 DG A 18 4.355 2.284 -6.945 1.00 0.15 H new ATOM 0 H1 DG A 18 3.487 2.537 -0.627 1.00 0.21 H new ATOM 0 H21 DG A 18 4.495 5.847 -0.945 1.00 0.19 H new ATOM 0 H22 DG A 18 3.962 4.542 0.119 1.00 0.19 H new ATOM 582 P DG A 19 8.529 6.544 -7.627 1.00 0.25 P ATOM 583 OP1 DG A 19 9.034 7.876 -8.027 1.00 0.32 O ATOM 584 OP2 DG A 19 9.317 5.330 -7.940 1.00 0.36 O ATOM 585 O5' DG A 19 8.246 6.565 -6.038 1.00 0.22 O ATOM 586 C5' DG A 19 7.700 7.736 -5.413 1.00 0.15 C ATOM 587 C4' DG A 19 8.100 7.859 -3.953 1.00 0.09 C ATOM 588 O4' DG A 19 7.267 7.034 -3.109 1.00 0.15 O ATOM 589 C3' DG A 19 9.545 7.430 -3.754 1.00 0.07 C ATOM 590 O3' DG A 19 10.372 8.552 -3.416 1.00 0.08 O ATOM 591 C2' DG A 19 9.510 6.414 -2.643 1.00 0.09 C ATOM 592 C1' DG A 19 8.087 6.369 -2.129 1.00 0.12 C ATOM 593 N9 DG A 19 7.636 4.979 -1.919 1.00 0.13 N ATOM 594 C8 DG A 19 7.325 4.023 -2.828 1.00 0.19 C ATOM 595 N7 DG A 19 6.938 2.876 -2.381 1.00 0.16 N ATOM 596 C5 DG A 19 6.992 3.076 -0.997 1.00 0.10 C ATOM 597 C6 DG A 19 6.685 2.180 0.065 1.00 0.15 C ATOM 598 O6 DG A 19 6.299 1.016 -0.007 1.00 0.20 O ATOM 599 N1 DG A 19 6.874 2.777 1.306 1.00 0.20 N ATOM 600 C2 DG A 19 7.306 4.076 1.506 1.00 0.22 C ATOM 601 N2 DG A 19 7.427 4.470 2.772 1.00 0.30 N ATOM 602 N3 DG A 19 7.596 4.921 0.511 1.00 0.15 N ATOM 603 C4 DG A 19 7.419 4.362 -0.707 1.00 0.09 C ATOM 0 H5' DG A 19 6.613 7.709 -5.487 1.00 0.15 H new ATOM 0 H5'' DG A 19 8.035 8.621 -5.953 1.00 0.15 H new ATOM 0 H4' DG A 19 7.976 8.906 -3.677 1.00 0.09 H new ATOM 0 H3' DG A 19 9.974 7.009 -4.664 1.00 0.07 H new ATOM 0 H2' DG A 19 9.820 5.434 -3.007 1.00 0.09 H new ATOM 0 H2'' DG A 19 10.200 6.691 -1.845 1.00 0.09 H new ATOM 0 H1' DG A 19 8.015 6.865 -1.161 1.00 0.12 H new ATOM 0 H8 DG A 19 7.398 4.214 -3.888 1.00 0.19 H new ATOM 0 H1 DG A 19 6.679 2.214 2.134 1.00 0.20 H new ATOM 0 H21 DG A 19 7.741 5.417 2.984 1.00 0.30 H new ATOM 0 H22 DG A 19 7.205 3.825 3.530 1.00 0.30 H new ATOM 615 P DC A 20 10.235 9.294 -1.990 1.00 0.06 P ATOM 616 OP1 DC A 20 11.130 10.473 -1.996 1.00 0.17 O ATOM 617 OP2 DC A 20 10.366 8.277 -0.923 1.00 0.15 O ATOM 618 O5' DC A 20 8.712 9.820 -2.001 1.00 0.15 O ATOM 619 C5' DC A 20 7.990 9.970 -0.773 1.00 0.18 C ATOM 620 C4' DC A 20 7.324 11.342 -0.668 1.00 0.13 C ATOM 621 O4' DC A 20 8.304 12.397 -0.790 1.00 0.17 O ATOM 622 C3' DC A 20 6.274 11.535 -1.757 1.00 0.09 C ATOM 623 O3' DC A 20 4.975 11.709 -1.179 1.00 0.10 O ATOM 624 C2' DC A 20 6.689 12.767 -2.511 1.00 0.09 C ATOM 625 C1' DC A 20 7.927 13.321 -1.832 1.00 0.09 C ATOM 626 N1 DC A 20 9.027 13.485 -2.802 1.00 0.10 N ATOM 627 C2 DC A 20 9.492 14.770 -3.047 1.00 0.13 C ATOM 628 O2 DC A 20 8.985 15.728 -2.469 1.00 0.25 O ATOM 629 N3 DC A 20 10.510 14.929 -3.936 1.00 0.11 N ATOM 630 C4 DC A 20 11.052 13.873 -4.558 1.00 0.19 C ATOM 631 N4 DC A 20 12.049 14.064 -5.421 1.00 0.27 N ATOM 632 C5 DC A 20 10.575 12.547 -4.307 1.00 0.31 C ATOM 633 C6 DC A 20 9.566 12.401 -3.427 1.00 0.25 C ATOM 0 H5' DC A 20 8.670 9.831 0.067 1.00 0.18 H new ATOM 0 H5'' DC A 20 7.231 9.191 -0.701 1.00 0.18 H new ATOM 0 H4' DC A 20 6.844 11.388 0.310 1.00 0.13 H new ATOM 0 H3' DC A 20 6.212 10.667 -2.413 1.00 0.09 H new ATOM 0 H2' DC A 20 6.898 12.526 -3.553 1.00 0.09 H new ATOM 0 H2'' DC A 20 5.888 13.506 -2.509 1.00 0.09 H new ATOM 0 H1' DC A 20 7.718 14.304 -1.411 1.00 0.09 H new ATOM 0 H41 DC A 20 12.469 13.267 -5.900 1.00 0.27 H new ATOM 0 H42 DC A 20 12.392 15.007 -5.603 1.00 0.27 H new ATOM 0 H5 DC A 20 11.009 11.693 -4.806 1.00 0.31 H new ATOM 0 H6 DC A 20 9.180 11.415 -3.215 1.00 0.25 H new ATOM 645 P DG A 21 3.663 11.737 -2.113 1.00 0.12 P ATOM 646 OP1 DG A 21 4.072 12.149 -3.474 1.00 0.18 O ATOM 647 OP2 DG A 21 2.605 12.489 -1.401 1.00 0.13 O ATOM 648 O5' DG A 21 3.233 10.188 -2.162 1.00 0.18 O ATOM 649 C5' DG A 21 2.101 9.721 -1.415 1.00 0.20 C ATOM 650 C4' DG A 21 2.274 9.907 0.087 1.00 0.13 C ATOM 651 O4' DG A 21 1.104 9.429 0.791 1.00 0.16 O ATOM 652 C3' DG A 21 3.489 9.141 0.601 1.00 0.11 C ATOM 653 O3' DG A 21 4.425 10.026 1.228 1.00 0.11 O ATOM 654 C2' DG A 21 2.951 8.140 1.587 1.00 0.08 C ATOM 655 C1' DG A 21 1.473 8.428 1.764 1.00 0.13 C ATOM 656 N9 DG A 21 0.683 7.197 1.581 1.00 0.13 N ATOM 657 C8 DG A 21 0.024 6.444 2.497 1.00 0.12 C ATOM 658 N7 DG A 21 -0.556 5.370 2.082 1.00 0.12 N ATOM 659 C5 DG A 21 -0.256 5.391 0.716 1.00 0.10 C ATOM 660 C6 DG A 21 -0.610 4.472 -0.307 1.00 0.09 C ATOM 661 O6 DG A 21 -1.261 3.435 -0.209 1.00 0.11 O ATOM 662 N1 DG A 21 -0.109 4.866 -1.541 1.00 0.11 N ATOM 663 C2 DG A 21 0.640 6.005 -1.769 1.00 0.17 C ATOM 664 N2 DG A 21 1.021 6.221 -3.027 1.00 0.22 N ATOM 665 N3 DG A 21 0.977 6.873 -0.810 1.00 0.19 N ATOM 666 C4 DG A 21 0.501 6.509 0.402 1.00 0.13 C ATOM 0 H5' DG A 21 1.939 8.665 -1.630 1.00 0.20 H new ATOM 0 H5'' DG A 21 1.209 10.254 -1.743 1.00 0.20 H new ATOM 0 H4' DG A 21 2.414 10.973 0.268 1.00 0.13 H new ATOM 0 H3' DG A 21 4.027 8.653 -0.211 1.00 0.11 H new ATOM 0 H2' DG A 21 3.103 7.124 1.224 1.00 0.08 H new ATOM 0 H2'' DG A 21 3.475 8.220 2.540 1.00 0.08 H new ATOM 0 H1' DG A 21 1.271 8.793 2.771 1.00 0.13 H new ATOM 0 H8 DG A 21 -0.013 6.734 3.537 1.00 0.12 H new ATOM 0 H1 DG A 21 -0.310 4.268 -2.342 1.00 0.11 H new ATOM 0 H21 DG A 21 1.576 7.045 -3.257 1.00 0.22 H new ATOM 0 H22 DG A 21 0.758 5.562 -3.760 1.00 0.22 H new ATOM 678 P DG A 22 4.077 10.738 2.631 1.00 0.12 P ATOM 679 OP1 DG A 22 2.662 11.168 2.593 1.00 0.16 O ATOM 680 OP2 DG A 22 5.140 11.724 2.928 1.00 0.21 O ATOM 681 O5' DG A 22 4.208 9.523 3.683 1.00 0.14 O ATOM 682 C5' DG A 22 3.642 9.639 4.997 1.00 0.17 C ATOM 683 C4' DG A 22 3.851 8.388 5.843 1.00 0.15 C ATOM 684 O4' DG A 22 3.278 7.225 5.204 1.00 0.12 O ATOM 685 C3' DG A 22 5.334 8.107 6.075 1.00 0.11 C ATOM 686 O3' DG A 22 5.693 8.370 7.438 1.00 0.09 O ATOM 687 C2' DG A 22 5.524 6.651 5.738 1.00 0.09 C ATOM 688 C1' DG A 22 4.167 6.101 5.361 1.00 0.09 C ATOM 689 N9 DG A 22 4.242 5.301 4.123 1.00 0.09 N ATOM 690 C8 DG A 22 4.704 5.639 2.895 1.00 0.15 C ATOM 691 N7 DG A 22 4.662 4.737 1.972 1.00 0.20 N ATOM 692 C5 DG A 22 4.103 3.652 2.657 1.00 0.14 C ATOM 693 C6 DG A 22 3.793 2.343 2.196 1.00 0.14 C ATOM 694 O6 DG A 22 3.954 1.871 1.074 1.00 0.17 O ATOM 695 N1 DG A 22 3.244 1.562 3.207 1.00 0.12 N ATOM 696 C2 DG A 22 3.019 1.990 4.504 1.00 0.12 C ATOM 697 N2 DG A 22 2.481 1.104 5.337 1.00 0.19 N ATOM 698 N3 DG A 22 3.309 3.218 4.941 1.00 0.10 N ATOM 699 C4 DG A 22 3.843 3.993 3.974 1.00 0.09 C ATOM 0 H5' DG A 22 2.574 9.840 4.911 1.00 0.17 H new ATOM 0 H5'' DG A 22 4.087 10.494 5.505 1.00 0.17 H new ATOM 0 H4' DG A 22 3.357 8.578 6.796 1.00 0.15 H new ATOM 0 H3' DG A 22 5.969 8.746 5.461 1.00 0.11 H new ATOM 0 H2' DG A 22 6.229 6.535 4.915 1.00 0.09 H new ATOM 0 H2'' DG A 22 5.936 6.109 6.589 1.00 0.09 H new ATOM 0 H1' DG A 22 3.798 5.432 6.138 1.00 0.09 H new ATOM 0 H8 DG A 22 5.093 6.627 2.695 1.00 0.15 H new ATOM 0 H1 DG A 22 2.988 0.602 2.976 1.00 0.12 H new ATOM 0 H21 DG A 22 2.293 1.363 6.305 1.00 0.19 H new ATOM 0 H22 DG A 22 2.257 0.165 5.008 1.00 0.19 H new ATOM 711 P DG A 23 7.132 7.923 8.013 1.00 0.10 P ATOM 712 OP1 DG A 23 7.389 8.683 9.256 1.00 0.14 O ATOM 713 OP2 DG A 23 8.109 7.972 6.902 1.00 0.14 O ATOM 714 O5' DG A 23 6.890 6.378 8.405 1.00 0.09 O ATOM 715 C5' DG A 23 6.223 6.034 9.629 1.00 0.12 C ATOM 716 C4' DG A 23 6.344 4.552 9.967 1.00 0.10 C ATOM 717 O4' DG A 23 5.705 3.738 8.961 1.00 0.19 O ATOM 718 C3' DG A 23 7.805 4.121 10.053 1.00 0.09 C ATOM 719 O3' DG A 23 8.142 3.715 11.383 1.00 0.08 O ATOM 720 C2' DG A 23 7.950 2.981 9.089 1.00 0.11 C ATOM 721 C1' DG A 23 6.561 2.629 8.623 1.00 0.13 C ATOM 722 N9 DG A 23 6.541 2.363 7.172 1.00 0.11 N ATOM 723 C8 DG A 23 6.797 3.205 6.138 1.00 0.09 C ATOM 724 N7 DG A 23 6.710 2.728 4.945 1.00 0.11 N ATOM 725 C5 DG A 23 6.353 1.400 5.190 1.00 0.14 C ATOM 726 C6 DG A 23 6.106 0.345 4.275 1.00 0.15 C ATOM 727 O6 DG A 23 6.156 0.380 3.046 1.00 0.14 O ATOM 728 N1 DG A 23 5.774 -0.834 4.934 1.00 0.17 N ATOM 729 C2 DG A 23 5.691 -0.985 6.303 1.00 0.20 C ATOM 730 N2 DG A 23 5.362 -2.204 6.740 1.00 0.26 N ATOM 731 N3 DG A 23 5.921 0.006 7.173 1.00 0.15 N ATOM 732 C4 DG A 23 6.246 1.165 6.554 1.00 0.13 C ATOM 0 H5' DG A 23 5.169 6.300 9.551 1.00 0.12 H new ATOM 0 H5'' DG A 23 6.641 6.624 10.444 1.00 0.12 H new ATOM 0 H4' DG A 23 5.857 4.412 10.932 1.00 0.10 H new ATOM 0 H3' DG A 23 8.479 4.941 9.805 1.00 0.09 H new ATOM 0 H2' DG A 23 8.581 3.264 8.246 1.00 0.11 H new ATOM 0 H2'' DG A 23 8.425 2.126 9.569 1.00 0.11 H new ATOM 0 HO3' DG A 23 9.083 3.442 11.413 1.00 0.08 H new ATOM 0 H1' DG A 23 6.213 1.718 9.110 1.00 0.13 H new ATOM 0 H8 DG A 23 7.064 4.237 6.310 1.00 0.09 H new ATOM 0 H1 DG A 23 5.576 -1.653 4.359 1.00 0.17 H new ATOM 0 H21 DG A 23 5.284 -2.383 7.741 1.00 0.26 H new ATOM 0 H22 DG A 23 5.189 -2.956 6.072 1.00 0.26 H new TER 745 DG A 23