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 Set 1.1: A 1 DG O5' : rot 180:sc= 0 USER MOD Set 1.2: A 15 DT C7 :methyl -30:sc= -3.57! (180deg=-4.39!) 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 -4.069 1.960 5.572 1.00 0.36 O ATOM 2 C5' DG A 1 -2.773 1.525 6.006 1.00 0.34 C ATOM 3 C4' DG A 1 -2.818 0.168 6.696 1.00 0.22 C ATOM 4 O4' DG A 1 -3.337 -0.840 5.802 1.00 0.16 O ATOM 5 C3' DG A 1 -1.426 -0.264 7.149 1.00 0.20 C ATOM 6 O3' DG A 1 -1.411 -0.506 8.560 1.00 0.27 O ATOM 7 C2' DG A 1 -1.120 -1.518 6.381 1.00 0.19 C ATOM 8 C1' DG A 1 -2.346 -1.860 5.559 1.00 0.13 C ATOM 9 N9 DG A 1 -2.007 -1.925 4.127 1.00 0.13 N ATOM 10 C8 DG A 1 -2.007 -2.987 3.285 1.00 0.19 C ATOM 11 N7 DG A 1 -1.670 -2.776 2.057 1.00 0.18 N ATOM 12 C5 DG A 1 -1.407 -1.403 2.065 1.00 0.11 C ATOM 13 C6 DG A 1 -0.988 -0.550 1.009 1.00 0.10 C ATOM 14 O6 DG A 1 -0.765 -0.842 -0.163 1.00 0.16 O ATOM 15 N1 DG A 1 -0.839 0.762 1.441 1.00 0.08 N ATOM 16 C2 DG A 1 -1.065 1.203 2.730 1.00 0.11 C ATOM 17 N2 DG A 1 -0.861 2.500 2.954 1.00 0.25 N ATOM 18 N3 DG A 1 -1.459 0.408 3.729 1.00 0.10 N ATOM 19 C4 DG A 1 -1.612 -0.876 3.330 1.00 0.08 C ATOM 0 H5' DG A 1 -2.355 2.264 6.690 1.00 0.34 H new ATOM 0 H5'' DG A 1 -2.104 1.471 5.147 1.00 0.34 H new ATOM 0 H4' DG A 1 -3.470 0.269 7.564 1.00 0.22 H new ATOM 0 H3' DG A 1 -0.679 0.507 6.959 1.00 0.20 H new ATOM 0 H2' DG A 1 -0.254 -1.370 5.735 1.00 0.19 H new ATOM 0 H2'' DG A 1 -0.875 -2.334 7.061 1.00 0.19 H new ATOM 0 HO5' DG A 1 -3.992 2.835 5.137 1.00 0.36 H new ATOM 0 H1' DG A 1 -2.734 -2.837 5.846 1.00 0.13 H new ATOM 0 H8 DG A 1 -2.279 -3.974 3.629 1.00 0.19 H new ATOM 0 H1 DG A 1 -0.540 1.453 0.753 1.00 0.08 H new ATOM 0 H21 DG A 1 -1.011 2.886 3.886 1.00 0.25 H new ATOM 0 H22 DG A 1 -0.555 3.107 2.193 1.00 0.25 H new ATOM 32 P DG A 2 -0.026 -0.495 9.381 1.00 0.19 P ATOM 33 OP1 DG A 2 -0.339 -0.308 10.816 1.00 0.14 O ATOM 34 OP2 DG A 2 0.908 0.432 8.703 1.00 0.28 O ATOM 35 O5' DG A 2 0.513 -1.996 9.174 1.00 0.31 O ATOM 36 C5' DG A 2 -0.332 -3.113 9.472 1.00 0.21 C ATOM 37 C4' DG A 2 -0.033 -4.315 8.588 1.00 0.13 C ATOM 38 O4' DG A 2 -0.106 -3.955 7.188 1.00 0.09 O ATOM 39 C3' DG A 2 1.363 -4.864 8.862 1.00 0.15 C ATOM 40 O3' DG A 2 1.285 -6.160 9.461 1.00 0.21 O ATOM 41 C2' DG A 2 2.046 -4.921 7.521 1.00 0.10 C ATOM 42 C1' DG A 2 1.034 -4.487 6.479 1.00 0.07 C ATOM 43 N9 DG A 2 1.617 -3.479 5.574 1.00 0.08 N ATOM 44 C8 DG A 2 2.125 -2.261 5.868 1.00 0.09 C ATOM 45 N7 DG A 2 2.581 -1.553 4.897 1.00 0.08 N ATOM 46 C5 DG A 2 2.359 -2.384 3.802 1.00 0.04 C ATOM 47 C6 DG A 2 2.649 -2.164 2.432 1.00 0.07 C ATOM 48 O6 DG A 2 3.141 -1.161 1.914 1.00 0.12 O ATOM 49 N1 DG A 2 2.275 -3.254 1.652 1.00 0.10 N ATOM 50 C2 DG A 2 1.689 -4.408 2.122 1.00 0.12 C ATOM 51 N2 DG A 2 1.404 -5.336 1.200 1.00 0.13 N ATOM 52 N3 DG A 2 1.407 -4.623 3.418 1.00 0.11 N ATOM 53 C4 DG A 2 1.768 -3.574 4.201 1.00 0.06 C ATOM 0 H5' DG A 2 -1.374 -2.821 9.345 1.00 0.21 H new ATOM 0 H5'' DG A 2 -0.205 -3.393 10.518 1.00 0.21 H new ATOM 0 H4' DG A 2 -0.781 -5.074 8.819 1.00 0.13 H new ATOM 0 H3' DG A 2 1.917 -4.237 9.561 1.00 0.15 H new ATOM 0 H2' DG A 2 2.917 -4.266 7.506 1.00 0.10 H new ATOM 0 H2'' DG A 2 2.402 -5.930 7.314 1.00 0.10 H new ATOM 0 H1' DG A 2 0.733 -5.330 5.857 1.00 0.07 H new ATOM 0 H8 DG A 2 2.147 -1.895 6.884 1.00 0.09 H new ATOM 0 H1 DG A 2 2.449 -3.193 0.649 1.00 0.10 H new ATOM 0 H21 DG A 2 0.969 -6.215 1.479 1.00 0.13 H new ATOM 0 H22 DG A 2 1.622 -5.164 0.219 1.00 0.13 H new ATOM 65 P DG A 3 2.623 -6.961 9.862 1.00 0.25 P ATOM 66 OP1 DG A 3 2.318 -7.821 11.027 1.00 0.33 O ATOM 67 OP2 DG A 3 3.741 -5.994 9.928 1.00 0.27 O ATOM 68 O5' DG A 3 2.847 -7.906 8.582 1.00 0.27 O ATOM 69 C5' DG A 3 1.736 -8.602 8.002 1.00 0.15 C ATOM 70 C4' DG A 3 1.900 -8.803 6.505 1.00 0.08 C ATOM 71 O4' DG A 3 2.087 -7.535 5.834 1.00 0.15 O ATOM 72 C3' DG A 3 3.112 -9.681 6.196 1.00 0.09 C ATOM 73 O3' DG A 3 2.706 -10.896 5.555 1.00 0.14 O ATOM 74 C2' DG A 3 3.978 -8.855 5.287 1.00 0.19 C ATOM 75 C1' DG A 3 3.164 -7.649 4.887 1.00 0.16 C ATOM 76 N9 DG A 3 3.998 -6.444 4.862 1.00 0.16 N ATOM 77 C8 DG A 3 4.586 -5.760 5.868 1.00 0.16 C ATOM 78 N7 DG A 3 5.282 -4.714 5.554 1.00 0.15 N ATOM 79 C5 DG A 3 5.145 -4.700 4.160 1.00 0.13 C ATOM 80 C6 DG A 3 5.673 -3.804 3.194 1.00 0.12 C ATOM 81 O6 DG A 3 6.384 -2.819 3.372 1.00 0.13 O ATOM 82 N1 DG A 3 5.290 -4.165 1.907 1.00 0.14 N ATOM 83 C2 DG A 3 4.500 -5.247 1.587 1.00 0.17 C ATOM 84 N2 DG A 3 4.244 -5.434 0.300 1.00 0.21 N ATOM 85 N3 DG A 3 4.003 -6.087 2.485 1.00 0.17 N ATOM 86 C4 DG A 3 4.360 -5.759 3.741 1.00 0.15 C ATOM 0 H5' DG A 3 0.820 -8.043 8.193 1.00 0.15 H new ATOM 0 H5'' DG A 3 1.625 -9.572 8.487 1.00 0.15 H new ATOM 0 H4' DG A 3 0.991 -9.288 6.149 1.00 0.08 H new ATOM 0 H3' DG A 3 3.644 -9.975 7.101 1.00 0.09 H new ATOM 0 H2' DG A 3 4.894 -8.552 5.795 1.00 0.19 H new ATOM 0 H2'' DG A 3 4.275 -9.429 4.409 1.00 0.19 H new ATOM 0 H1' DG A 3 2.764 -7.763 3.879 1.00 0.16 H new ATOM 0 H8 DG A 3 4.480 -6.074 6.896 1.00 0.16 H new ATOM 0 H1 DG A 3 5.621 -3.582 1.138 1.00 0.14 H new ATOM 0 H21 DG A 3 3.664 -6.219 0.004 1.00 0.21 H new ATOM 0 H22 DG A 3 4.627 -4.792 -0.395 1.00 0.21 H new ATOM 98 P DC A 4 3.798 -11.979 5.079 1.00 0.17 P ATOM 99 OP1 DC A 4 3.106 -13.270 4.863 1.00 0.45 O ATOM 100 OP2 DC A 4 4.954 -11.907 6.002 1.00 0.39 O ATOM 101 O5' DC A 4 4.261 -11.408 3.647 1.00 0.21 O ATOM 102 C5' DC A 4 5.157 -12.159 2.824 1.00 0.11 C ATOM 103 C4' DC A 4 5.460 -11.434 1.513 1.00 0.06 C ATOM 104 O4' DC A 4 4.252 -11.239 0.745 1.00 0.09 O ATOM 105 C3' DC A 4 6.085 -10.066 1.771 1.00 0.13 C ATOM 106 O3' DC A 4 7.406 -10.004 1.223 1.00 0.15 O ATOM 107 C2' DC A 4 5.179 -9.074 1.097 1.00 0.16 C ATOM 108 C1' DC A 4 4.161 -9.868 0.306 1.00 0.15 C ATOM 109 N1 DC A 4 2.795 -9.341 0.511 1.00 0.19 N ATOM 110 C2 DC A 4 2.274 -8.506 -0.466 1.00 0.24 C ATOM 111 O2 DC A 4 2.952 -8.211 -1.448 1.00 0.26 O ATOM 112 N3 DC A 4 1.008 -8.033 -0.305 1.00 0.27 N ATOM 113 C4 DC A 4 0.281 -8.365 0.770 1.00 0.25 C ATOM 114 N4 DC A 4 -0.955 -7.884 0.896 1.00 0.25 N ATOM 115 C5 DC A 4 0.814 -9.225 1.781 1.00 0.22 C ATOM 116 C6 DC A 4 2.070 -9.686 1.614 1.00 0.19 C ATOM 0 H5' DC A 4 4.722 -13.135 2.608 1.00 0.11 H new ATOM 0 H5'' DC A 4 6.086 -12.337 3.365 1.00 0.11 H new ATOM 0 H4' DC A 4 6.160 -12.058 0.958 1.00 0.06 H new ATOM 0 H3' DC A 4 6.180 -9.860 2.837 1.00 0.13 H new ATOM 0 H2' DC A 4 4.685 -8.440 1.834 1.00 0.16 H new ATOM 0 H2'' DC A 4 5.749 -8.416 0.441 1.00 0.16 H new ATOM 0 H1' DC A 4 4.369 -9.791 -0.761 1.00 0.15 H new ATOM 0 H41 DC A 4 -1.518 -8.130 1.710 1.00 0.25 H new ATOM 0 H42 DC A 4 -1.339 -7.269 0.178 1.00 0.25 H new ATOM 0 H5 DC A 4 0.230 -9.496 2.648 1.00 0.22 H new ATOM 0 H6 DC A 4 2.506 -10.334 2.360 1.00 0.19 H new ATOM 128 P DG A 5 8.636 -9.448 2.102 1.00 0.12 P ATOM 129 OP1 DG A 5 9.876 -9.597 1.309 1.00 0.15 O ATOM 130 OP2 DG A 5 8.546 -10.045 3.452 1.00 0.16 O ATOM 131 O5' DG A 5 8.300 -7.877 2.222 1.00 0.08 O ATOM 132 C5' DG A 5 8.434 -7.012 1.085 1.00 0.10 C ATOM 133 C4' DG A 5 8.886 -5.615 1.478 1.00 0.07 C ATOM 134 O4' DG A 5 7.943 -5.015 2.394 1.00 0.08 O ATOM 135 C3' DG A 5 10.246 -5.667 2.161 1.00 0.09 C ATOM 136 O3' DG A 5 11.233 -4.962 1.401 1.00 0.13 O ATOM 137 C2' DG A 5 10.051 -5.031 3.507 1.00 0.14 C ATOM 138 C1' DG A 5 8.571 -4.762 3.668 1.00 0.09 C ATOM 139 N9 DG A 5 8.003 -5.630 4.714 1.00 0.10 N ATOM 140 C8 DG A 5 7.472 -6.871 4.610 1.00 0.15 C ATOM 141 N7 DG A 5 7.052 -7.436 5.692 1.00 0.17 N ATOM 142 C5 DG A 5 7.333 -6.457 6.651 1.00 0.14 C ATOM 143 C6 DG A 5 7.106 -6.466 8.053 1.00 0.16 C ATOM 144 O6 DG A 5 6.607 -7.356 8.740 1.00 0.20 O ATOM 145 N1 DG A 5 7.534 -5.285 8.646 1.00 0.15 N ATOM 146 C2 DG A 5 8.108 -4.222 7.977 1.00 0.14 C ATOM 147 N2 DG A 5 8.454 -3.173 8.723 1.00 0.15 N ATOM 148 N3 DG A 5 8.324 -4.205 6.658 1.00 0.12 N ATOM 149 C4 DG A 5 7.915 -5.347 6.058 1.00 0.10 C ATOM 0 H5' DG A 5 7.479 -6.950 0.563 1.00 0.10 H new ATOM 0 H5'' DG A 5 9.152 -7.441 0.386 1.00 0.10 H new ATOM 0 H4' DG A 5 8.949 -5.020 0.567 1.00 0.07 H new ATOM 0 H3' DG A 5 10.606 -6.692 2.251 1.00 0.09 H new ATOM 0 H2' DG A 5 10.410 -5.689 4.298 1.00 0.14 H new ATOM 0 H2'' DG A 5 10.620 -4.104 3.580 1.00 0.14 H new ATOM 0 H1' DG A 5 8.399 -3.730 3.974 1.00 0.09 H new ATOM 0 H8 DG A 5 7.402 -7.371 3.655 1.00 0.15 H new ATOM 0 H1 DG A 5 7.415 -5.196 9.655 1.00 0.15 H new ATOM 0 H21 DG A 5 8.883 -2.356 8.287 1.00 0.15 H new ATOM 0 H22 DG A 5 8.290 -3.187 9.730 1.00 0.15 H new ATOM 161 P DC A 6 11.499 -5.340 -0.141 1.00 0.12 P ATOM 162 OP1 DC A 6 10.765 -6.590 -0.445 1.00 0.12 O ATOM 163 OP2 DC A 6 12.954 -5.256 -0.396 1.00 0.23 O ATOM 164 O5' DC A 6 10.778 -4.131 -0.919 1.00 0.30 O ATOM 165 C5' DC A 6 10.141 -4.346 -2.179 1.00 0.17 C ATOM 166 C4' DC A 6 9.727 -3.020 -2.821 1.00 0.13 C ATOM 167 O4' DC A 6 9.094 -2.141 -1.858 1.00 0.17 O ATOM 168 C3' DC A 6 10.934 -2.274 -3.394 1.00 0.12 C ATOM 169 O3' DC A 6 10.888 -2.245 -4.838 1.00 0.10 O ATOM 170 C2' DC A 6 10.860 -0.889 -2.803 1.00 0.16 C ATOM 171 C1' DC A 6 9.521 -0.786 -2.114 1.00 0.16 C ATOM 172 N1 DC A 6 9.613 0.016 -0.869 1.00 0.16 N ATOM 173 C2 DC A 6 9.391 1.382 -0.978 1.00 0.08 C ATOM 174 O2 DC A 6 9.165 1.882 -2.078 1.00 0.10 O ATOM 175 N3 DC A 6 9.432 2.137 0.153 1.00 0.12 N ATOM 176 C4 DC A 6 9.681 1.580 1.345 1.00 0.16 C ATOM 177 N4 DC A 6 9.713 2.349 2.432 1.00 0.22 N ATOM 178 C5 DC A 6 9.911 0.174 1.464 1.00 0.24 C ATOM 179 C6 DC A 6 9.873 -0.565 0.339 1.00 0.25 C ATOM 0 H5' DC A 6 9.263 -4.977 -2.043 1.00 0.17 H new ATOM 0 H5'' DC A 6 10.818 -4.881 -2.846 1.00 0.17 H new ATOM 0 H4' DC A 6 9.028 -3.275 -3.618 1.00 0.13 H new ATOM 0 H3' DC A 6 11.875 -2.762 -3.142 1.00 0.12 H new ATOM 0 H2' DC A 6 11.673 -0.725 -2.096 1.00 0.16 H new ATOM 0 H2'' DC A 6 10.956 -0.130 -3.580 1.00 0.16 H new ATOM 0 H1' DC A 6 8.793 -0.267 -2.738 1.00 0.16 H new ATOM 0 H41 DC A 6 9.902 1.934 3.345 1.00 0.22 H new ATOM 0 H42 DC A 6 9.549 3.352 2.352 1.00 0.22 H new ATOM 0 H5 DC A 6 10.109 -0.280 2.424 1.00 0.24 H new ATOM 0 H6 DC A 6 10.050 -1.629 0.393 1.00 0.25 H new ATOM 191 P DG A 7 9.840 -1.313 -5.646 1.00 0.08 P ATOM 192 OP1 DG A 7 10.612 -0.395 -6.512 1.00 0.14 O ATOM 193 OP2 DG A 7 8.865 -0.765 -4.678 1.00 0.21 O ATOM 194 O5' DG A 7 9.064 -2.365 -6.596 1.00 0.13 O ATOM 195 C5' DG A 7 8.160 -3.310 -6.014 1.00 0.05 C ATOM 196 C4' DG A 7 7.106 -3.838 -6.974 1.00 0.04 C ATOM 197 O4' DG A 7 6.316 -4.841 -6.313 1.00 0.04 O ATOM 198 C3' DG A 7 6.153 -2.729 -7.394 1.00 0.07 C ATOM 199 O3' DG A 7 5.808 -2.841 -8.776 1.00 0.11 O ATOM 200 C2' DG A 7 4.933 -2.918 -6.537 1.00 0.09 C ATOM 201 C1' DG A 7 5.108 -4.233 -5.813 1.00 0.06 C ATOM 202 N9 DG A 7 5.180 -4.036 -4.362 1.00 0.05 N ATOM 203 C8 DG A 7 4.883 -4.907 -3.385 1.00 0.08 C ATOM 204 N7 DG A 7 5.019 -4.510 -2.168 1.00 0.15 N ATOM 205 C5 DG A 7 5.464 -3.197 -2.342 1.00 0.10 C ATOM 206 C6 DG A 7 5.797 -2.207 -1.379 1.00 0.16 C ATOM 207 O6 DG A 7 5.765 -2.292 -0.154 1.00 0.26 O ATOM 208 N1 DG A 7 6.195 -1.022 -1.985 1.00 0.11 N ATOM 209 C2 DG A 7 6.267 -0.811 -3.347 1.00 0.07 C ATOM 210 N2 DG A 7 6.668 0.398 -3.737 1.00 0.14 N ATOM 211 N3 DG A 7 5.956 -1.737 -4.257 1.00 0.09 N ATOM 212 C4 DG A 7 5.564 -2.900 -3.689 1.00 0.03 C ATOM 0 H5' DG A 7 7.661 -2.843 -5.165 1.00 0.05 H new ATOM 0 H5'' DG A 7 8.733 -4.151 -5.623 1.00 0.05 H new ATOM 0 H4' DG A 7 7.622 -4.243 -7.845 1.00 0.04 H new ATOM 0 H3' DG A 7 6.603 -1.745 -7.266 1.00 0.07 H new ATOM 0 H2' DG A 7 4.828 -2.097 -5.828 1.00 0.09 H new ATOM 0 H2'' DG A 7 4.030 -2.930 -7.147 1.00 0.09 H new ATOM 0 H1' DG A 7 4.251 -4.881 -5.995 1.00 0.06 H new ATOM 0 H8 DG A 7 4.542 -5.906 -3.612 1.00 0.08 H new ATOM 0 H1 DG A 7 6.455 -0.247 -1.375 1.00 0.11 H new ATOM 0 H21 DG A 7 6.741 0.615 -4.731 1.00 0.14 H new ATOM 0 H22 DG A 7 6.902 1.107 -3.042 1.00 0.14 H new ATOM 224 P DG A 8 5.387 -4.267 -9.403 1.00 0.12 P ATOM 225 OP1 DG A 8 6.616 -5.070 -9.585 1.00 0.12 O ATOM 226 OP2 DG A 8 4.495 -4.016 -10.557 1.00 0.24 O ATOM 227 O5' DG A 8 4.510 -4.950 -8.230 1.00 0.18 O ATOM 228 C5' DG A 8 4.478 -6.381 -8.108 1.00 0.17 C ATOM 229 C4' DG A 8 3.303 -6.905 -7.282 1.00 0.11 C ATOM 230 O4' DG A 8 3.430 -6.611 -5.870 1.00 0.13 O ATOM 231 C3' DG A 8 1.980 -6.311 -7.736 1.00 0.07 C ATOM 232 O3' DG A 8 1.256 -7.240 -8.549 1.00 0.11 O ATOM 233 C2' DG A 8 1.236 -6.001 -6.455 1.00 0.09 C ATOM 234 C1' DG A 8 2.097 -6.533 -5.332 1.00 0.09 C ATOM 235 N9 DG A 8 2.015 -5.692 -4.113 1.00 0.10 N ATOM 236 C8 DG A 8 1.794 -6.074 -2.828 1.00 0.09 C ATOM 237 N7 DG A 8 1.781 -5.158 -1.916 1.00 0.08 N ATOM 238 C5 DG A 8 2.018 -4.006 -2.676 1.00 0.06 C ATOM 239 C6 DG A 8 2.121 -2.653 -2.261 1.00 0.06 C ATOM 240 O6 DG A 8 2.035 -2.197 -1.122 1.00 0.08 O ATOM 241 N1 DG A 8 2.360 -1.807 -3.337 1.00 0.06 N ATOM 242 C2 DG A 8 2.484 -2.209 -4.653 1.00 0.06 C ATOM 243 N2 DG A 8 2.695 -1.244 -5.546 1.00 0.07 N ATOM 244 N3 DG A 8 2.392 -3.481 -5.054 1.00 0.06 N ATOM 245 C4 DG A 8 2.159 -4.325 -4.023 1.00 0.07 C ATOM 0 H5' DG A 8 5.409 -6.718 -7.652 1.00 0.17 H new ATOM 0 H5'' DG A 8 4.434 -6.820 -9.105 1.00 0.17 H new ATOM 0 H4' DG A 8 3.320 -7.984 -7.439 1.00 0.11 H new ATOM 0 H3' DG A 8 2.115 -5.421 -8.351 1.00 0.07 H new ATOM 0 H2' DG A 8 1.074 -4.928 -6.348 1.00 0.09 H new ATOM 0 H2'' DG A 8 0.254 -6.473 -6.451 1.00 0.09 H new ATOM 0 H1' DG A 8 1.756 -7.513 -4.998 1.00 0.09 H new ATOM 0 H8 DG A 8 1.634 -7.112 -2.576 1.00 0.09 H new ATOM 0 H1 DG A 8 2.451 -0.810 -3.140 1.00 0.06 H new ATOM 0 H21 DG A 8 2.795 -1.477 -6.534 1.00 0.07 H new ATOM 0 H22 DG A 8 2.756 -0.272 -5.242 1.00 0.07 H new ATOM 257 P DG A 9 -0.201 -6.870 -9.124 1.00 0.22 P ATOM 258 OP1 DG A 9 -0.481 -7.747 -10.282 1.00 0.37 O ATOM 259 OP2 DG A 9 -0.279 -5.399 -9.275 1.00 0.30 O ATOM 260 O5' DG A 9 -1.171 -7.305 -7.917 1.00 0.21 O ATOM 261 C5' DG A 9 -1.188 -8.661 -7.453 1.00 0.26 C ATOM 262 C4' DG A 9 -1.919 -8.808 -6.127 1.00 0.19 C ATOM 263 O4' DG A 9 -1.306 -7.974 -5.117 1.00 0.19 O ATOM 264 C3' DG A 9 -3.383 -8.393 -6.259 1.00 0.10 C ATOM 265 O3' DG A 9 -4.259 -9.505 -6.037 1.00 0.06 O ATOM 266 C2' DG A 9 -3.594 -7.330 -5.221 1.00 0.11 C ATOM 267 C1' DG A 9 -2.317 -7.224 -4.416 1.00 0.11 C ATOM 268 N9 DG A 9 -1.929 -5.812 -4.258 1.00 0.12 N ATOM 269 C8 DG A 9 -1.609 -4.890 -5.198 1.00 0.19 C ATOM 270 N7 DG A 9 -1.333 -3.695 -4.793 1.00 0.20 N ATOM 271 C5 DG A 9 -1.485 -3.821 -3.408 1.00 0.13 C ATOM 272 C6 DG A 9 -1.324 -2.852 -2.382 1.00 0.14 C ATOM 273 O6 DG A 9 -1.012 -1.668 -2.494 1.00 0.16 O ATOM 274 N1 DG A 9 -1.576 -3.394 -1.126 1.00 0.13 N ATOM 275 C2 DG A 9 -1.937 -4.705 -0.883 1.00 0.13 C ATOM 276 N2 DG A 9 -2.142 -5.037 0.390 1.00 0.26 N ATOM 277 N3 DG A 9 -2.089 -5.620 -1.844 1.00 0.08 N ATOM 278 C4 DG A 9 -1.850 -5.116 -3.074 1.00 0.09 C ATOM 0 H5' DG A 9 -0.164 -9.018 -7.342 1.00 0.26 H new ATOM 0 H5'' DG A 9 -1.667 -9.293 -8.201 1.00 0.26 H new ATOM 0 H4' DG A 9 -1.859 -9.857 -5.839 1.00 0.19 H new ATOM 0 H3' DG A 9 -3.605 -8.028 -7.262 1.00 0.10 H new ATOM 0 H2' DG A 9 -3.831 -6.376 -5.691 1.00 0.11 H new ATOM 0 H2'' DG A 9 -4.435 -7.585 -4.576 1.00 0.11 H new ATOM 0 H1' DG A 9 -2.450 -7.629 -3.413 1.00 0.11 H new ATOM 0 H8 DG A 9 -1.586 -5.145 -6.247 1.00 0.19 H new ATOM 0 H1 DG A 9 -1.487 -2.774 -0.321 1.00 0.13 H new ATOM 0 H21 DG A 9 -2.411 -5.991 0.631 1.00 0.26 H new ATOM 0 H22 DG A 9 -2.030 -4.337 1.124 1.00 0.26 H new ATOM 290 P DA A 10 -4.345 -10.212 -4.592 1.00 0.09 P ATOM 291 OP1 DA A 10 -2.991 -10.211 -3.996 1.00 0.16 O ATOM 292 OP2 DA A 10 -5.081 -11.487 -4.747 1.00 0.11 O ATOM 293 O5' DA A 10 -5.270 -9.197 -3.746 1.00 0.06 O ATOM 294 C5' DA A 10 -5.613 -9.511 -2.393 1.00 0.18 C ATOM 295 C4' DA A 10 -6.375 -8.381 -1.699 1.00 0.16 C ATOM 296 O4' DA A 10 -5.656 -7.131 -1.810 1.00 0.18 O ATOM 297 C3' DA A 10 -7.765 -8.180 -2.303 1.00 0.14 C ATOM 298 O3' DA A 10 -8.780 -8.446 -1.329 1.00 0.14 O ATOM 299 C2' DA A 10 -7.807 -6.738 -2.734 1.00 0.13 C ATOM 300 C1' DA A 10 -6.576 -6.076 -2.145 1.00 0.14 C ATOM 301 N9 DA A 10 -5.956 -5.109 -3.081 1.00 0.12 N ATOM 302 C8 DA A 10 -5.713 -5.207 -4.413 1.00 0.12 C ATOM 303 N7 DA A 10 -5.128 -4.208 -4.988 1.00 0.10 N ATOM 304 C5 DA A 10 -4.955 -3.326 -3.916 1.00 0.13 C ATOM 305 C6 DA A 10 -4.388 -2.049 -3.818 1.00 0.18 C ATOM 306 N6 DA A 10 -3.860 -1.399 -4.854 1.00 0.19 N ATOM 307 N1 DA A 10 -4.382 -1.467 -2.607 1.00 0.26 N ATOM 308 C2 DA A 10 -4.901 -2.097 -1.555 1.00 0.26 C ATOM 309 N3 DA A 10 -5.462 -3.302 -1.532 1.00 0.20 N ATOM 310 C4 DA A 10 -5.456 -3.867 -2.755 1.00 0.14 C ATOM 0 H5' DA A 10 -4.703 -9.728 -1.833 1.00 0.18 H new ATOM 0 H5'' DA A 10 -6.220 -10.416 -2.377 1.00 0.18 H new ATOM 0 H4' DA A 10 -6.472 -8.671 -0.653 1.00 0.16 H new ATOM 0 H3' DA A 10 -7.947 -8.857 -3.137 1.00 0.14 H new ATOM 0 H2' DA A 10 -7.808 -6.658 -3.821 1.00 0.13 H new ATOM 0 H2'' DA A 10 -8.716 -6.253 -2.378 1.00 0.13 H new ATOM 0 H1' DA A 10 -6.851 -5.497 -1.263 1.00 0.14 H new ATOM 0 H8 DA A 10 -5.998 -6.087 -4.971 1.00 0.12 H new ATOM 0 H61 DA A 10 -3.461 -0.470 -4.723 1.00 0.19 H new ATOM 0 H62 DA A 10 -3.855 -1.831 -5.778 1.00 0.19 H new ATOM 0 H2 DA A 10 -4.862 -1.569 -0.614 1.00 0.26 H new ATOM 322 P DG A 11 -10.246 -8.931 -1.789 1.00 0.16 P ATOM 323 OP1 DG A 11 -10.478 -10.285 -1.238 1.00 0.17 O ATOM 324 OP2 DG A 11 -10.376 -8.695 -3.244 1.00 0.17 O ATOM 325 O5' DG A 11 -11.218 -7.902 -1.021 1.00 0.14 O ATOM 326 C5' DG A 11 -11.380 -6.559 -1.498 1.00 0.16 C ATOM 327 C4' DG A 11 -12.783 -6.016 -1.238 1.00 0.18 C ATOM 328 O4' DG A 11 -13.748 -6.674 -2.088 1.00 0.18 O ATOM 329 C3' DG A 11 -13.216 -6.221 0.216 1.00 0.20 C ATOM 330 O3' DG A 11 -13.350 -4.965 0.889 1.00 0.17 O ATOM 331 C2' DG A 11 -14.541 -6.930 0.149 1.00 0.22 C ATOM 332 C1' DG A 11 -14.892 -7.094 -1.315 1.00 0.20 C ATOM 333 N9 DG A 11 -15.243 -8.495 -1.617 1.00 0.19 N ATOM 334 C8 DG A 11 -14.450 -9.593 -1.669 1.00 0.18 C ATOM 335 N7 DG A 11 -15.006 -10.721 -1.959 1.00 0.18 N ATOM 336 C5 DG A 11 -16.343 -10.344 -2.126 1.00 0.19 C ATOM 337 C6 DG A 11 -17.476 -11.135 -2.457 1.00 0.20 C ATOM 338 O6 DG A 11 -17.526 -12.344 -2.674 1.00 0.23 O ATOM 339 N1 DG A 11 -18.631 -10.365 -2.526 1.00 0.22 N ATOM 340 C2 DG A 11 -18.695 -9.004 -2.302 1.00 0.23 C ATOM 341 N2 DG A 11 -19.899 -8.444 -2.415 1.00 0.29 N ATOM 342 N3 DG A 11 -17.633 -8.254 -1.990 1.00 0.24 N ATOM 343 C4 DG A 11 -16.495 -8.981 -1.918 1.00 0.21 C ATOM 0 H5' DG A 11 -11.174 -6.529 -2.568 1.00 0.16 H new ATOM 0 H5'' DG A 11 -10.648 -5.913 -1.014 1.00 0.16 H new ATOM 0 H4' DG A 11 -12.747 -4.948 -1.454 1.00 0.18 H new ATOM 0 H3' DG A 11 -12.478 -6.797 0.775 1.00 0.20 H new ATOM 0 H2' DG A 11 -14.482 -7.901 0.641 1.00 0.22 H new ATOM 0 H2'' DG A 11 -15.310 -6.356 0.666 1.00 0.22 H new ATOM 0 H1' DG A 11 -15.761 -6.486 -1.565 1.00 0.20 H new ATOM 0 H8 DG A 11 -13.390 -9.526 -1.475 1.00 0.18 H new ATOM 0 H1 DG A 11 -19.501 -10.843 -2.761 1.00 0.22 H new ATOM 0 H21 DG A 11 -20.012 -7.442 -2.262 1.00 0.29 H new ATOM 0 H22 DG A 11 -20.708 -9.017 -2.655 1.00 0.29 H new ATOM 355 P DG A 12 -12.101 -3.957 1.008 1.00 0.19 P ATOM 356 OP1 DG A 12 -11.433 -3.885 -0.311 1.00 0.21 O ATOM 357 OP2 DG A 12 -11.321 -4.325 2.211 1.00 0.24 O ATOM 358 O5' DG A 12 -12.819 -2.543 1.286 1.00 0.19 O ATOM 359 C5' DG A 12 -13.750 -2.001 0.337 1.00 0.21 C ATOM 360 C4' DG A 12 -15.198 -2.253 0.734 1.00 0.16 C ATOM 361 O4' DG A 12 -15.442 -3.668 0.902 1.00 0.15 O ATOM 362 C3' DG A 12 -15.542 -1.552 2.044 1.00 0.11 C ATOM 363 O3' DG A 12 -16.462 -0.476 1.823 1.00 0.16 O ATOM 364 C2' DG A 12 -16.152 -2.608 2.923 1.00 0.06 C ATOM 365 C1' DG A 12 -16.107 -3.917 2.160 1.00 0.08 C ATOM 366 N9 DG A 12 -15.389 -4.950 2.937 1.00 0.04 N ATOM 367 C8 DG A 12 -14.133 -4.934 3.465 1.00 0.07 C ATOM 368 N7 DG A 12 -13.743 -5.982 4.109 1.00 0.08 N ATOM 369 C5 DG A 12 -14.864 -6.813 4.010 1.00 0.08 C ATOM 370 C6 DG A 12 -15.071 -8.123 4.519 1.00 0.12 C ATOM 371 O6 DG A 12 -14.294 -8.821 5.168 1.00 0.13 O ATOM 372 N1 DG A 12 -16.336 -8.601 4.198 1.00 0.16 N ATOM 373 C2 DG A 12 -17.287 -7.909 3.476 1.00 0.18 C ATOM 374 N2 DG A 12 -18.445 -8.538 3.270 1.00 0.20 N ATOM 375 N3 DG A 12 -17.100 -6.676 2.993 1.00 0.13 N ATOM 376 C4 DG A 12 -15.875 -6.188 3.294 1.00 0.08 C ATOM 0 H5' DG A 12 -13.563 -2.441 -0.643 1.00 0.21 H new ATOM 0 H5'' DG A 12 -13.584 -0.928 0.242 1.00 0.21 H new ATOM 0 H4' DG A 12 -15.822 -1.857 -0.067 1.00 0.16 H new ATOM 0 H3' DG A 12 -14.658 -1.110 2.504 1.00 0.11 H new ATOM 0 H2' DG A 12 -15.602 -2.691 3.860 1.00 0.06 H new ATOM 0 H2'' DG A 12 -17.179 -2.348 3.178 1.00 0.06 H new ATOM 0 H1' DG A 12 -17.117 -4.289 1.986 1.00 0.08 H new ATOM 0 H8 DG A 12 -13.488 -4.076 3.349 1.00 0.07 H new ATOM 0 H1 DG A 12 -16.581 -9.537 4.522 1.00 0.16 H new ATOM 0 H21 DG A 12 -19.188 -8.079 2.743 1.00 0.20 H new ATOM 0 H22 DG A 12 -18.587 -9.478 3.639 1.00 0.20 H new ATOM 388 P DA A 13 -17.087 0.334 3.066 1.00 0.09 P ATOM 389 OP1 DA A 13 -17.714 -0.641 3.986 1.00 0.16 O ATOM 390 OP2 DA A 13 -17.884 1.461 2.531 1.00 0.19 O ATOM 391 O5' DA A 13 -15.779 0.940 3.785 1.00 0.16 O ATOM 392 C5' DA A 13 -15.562 2.352 3.838 1.00 0.17 C ATOM 393 C4' DA A 13 -14.099 2.681 4.127 1.00 0.15 C ATOM 394 O4' DA A 13 -13.701 2.163 5.414 1.00 0.15 O ATOM 395 C3' DA A 13 -13.198 2.058 3.072 1.00 0.15 C ATOM 396 O3' DA A 13 -12.321 3.047 2.521 1.00 0.17 O ATOM 397 C2' DA A 13 -12.434 0.966 3.785 1.00 0.14 C ATOM 398 C1' DA A 13 -12.884 0.989 5.236 1.00 0.13 C ATOM 399 N9 DA A 13 -13.658 -0.222 5.583 1.00 0.10 N ATOM 400 C8 DA A 13 -13.307 -1.531 5.528 1.00 0.09 C ATOM 401 N7 DA A 13 -14.193 -2.403 5.878 1.00 0.09 N ATOM 402 C5 DA A 13 -15.277 -1.585 6.209 1.00 0.07 C ATOM 403 C6 DA A 13 -16.569 -1.864 6.668 1.00 0.07 C ATOM 404 N6 DA A 13 -17.015 -3.102 6.884 1.00 0.12 N ATOM 405 N1 DA A 13 -17.385 -0.820 6.896 1.00 0.13 N ATOM 406 C2 DA A 13 -16.959 0.427 6.686 1.00 0.18 C ATOM 407 N3 DA A 13 -15.760 0.805 6.255 1.00 0.19 N ATOM 408 C4 DA A 13 -14.960 -0.259 6.033 1.00 0.11 C ATOM 0 H5' DA A 13 -16.194 2.790 4.610 1.00 0.17 H new ATOM 0 H5'' DA A 13 -15.857 2.803 2.891 1.00 0.17 H new ATOM 0 H4' DA A 13 -14.000 3.766 4.117 1.00 0.15 H new ATOM 0 H3' DA A 13 -13.763 1.652 2.233 1.00 0.15 H new ATOM 0 H2' DA A 13 -12.636 -0.005 3.333 1.00 0.14 H new ATOM 0 H2'' DA A 13 -11.360 1.135 3.711 1.00 0.14 H new ATOM 0 H1' DA A 13 -12.013 1.011 5.891 1.00 0.13 H new ATOM 0 H8 DA A 13 -12.322 -1.833 5.203 1.00 0.09 H new ATOM 0 H61 DA A 13 -17.967 -3.250 7.219 1.00 0.12 H new ATOM 0 H62 DA A 13 -16.404 -3.901 6.714 1.00 0.12 H new ATOM 0 H2 DA A 13 -17.667 1.217 6.889 1.00 0.18 H new ATOM 420 P DA A 14 -11.048 3.575 3.350 1.00 0.24 P ATOM 421 OP1 DA A 14 -11.432 3.685 4.775 1.00 0.28 O ATOM 422 OP2 DA A 14 -10.481 4.745 2.642 1.00 0.43 O ATOM 423 O5' DA A 14 -10.027 2.343 3.193 1.00 0.22 O ATOM 424 C5' DA A 14 -9.648 1.889 1.890 1.00 0.16 C ATOM 425 C4' DA A 14 -8.144 2.028 1.678 1.00 0.12 C ATOM 426 O4' DA A 14 -7.423 1.116 2.541 1.00 0.24 O ATOM 427 C3' DA A 14 -7.748 1.707 0.241 1.00 0.14 C ATOM 428 O3' DA A 14 -6.814 2.675 -0.251 1.00 0.14 O ATOM 429 C2' DA A 14 -7.134 0.341 0.298 1.00 0.16 C ATOM 430 C1' DA A 14 -6.817 0.062 1.755 1.00 0.13 C ATOM 431 N9 DA A 14 -7.310 -1.258 2.174 1.00 0.14 N ATOM 432 C8 DA A 14 -6.887 -2.492 1.809 1.00 0.13 C ATOM 433 N7 DA A 14 -7.469 -3.508 2.355 1.00 0.13 N ATOM 434 C5 DA A 14 -8.395 -2.880 3.196 1.00 0.13 C ATOM 435 C6 DA A 14 -9.353 -3.372 4.087 1.00 0.16 C ATOM 436 N6 DA A 14 -9.558 -4.672 4.295 1.00 0.16 N ATOM 437 N1 DA A 14 -10.093 -2.470 4.758 1.00 0.19 N ATOM 438 C2 DA A 14 -9.903 -1.163 4.564 1.00 0.21 C ATOM 439 N3 DA A 14 -9.028 -0.592 3.746 1.00 0.19 N ATOM 440 C4 DA A 14 -8.301 -1.512 3.089 1.00 0.15 C ATOM 0 H5' DA A 14 -10.180 2.464 1.132 1.00 0.16 H new ATOM 0 H5'' DA A 14 -9.942 0.847 1.765 1.00 0.16 H new ATOM 0 H4' DA A 14 -7.890 3.063 1.908 1.00 0.12 H new ATOM 0 H3' DA A 14 -8.601 1.734 -0.437 1.00 0.14 H new ATOM 0 H2' DA A 14 -7.820 -0.408 -0.098 1.00 0.16 H new ATOM 0 H2'' DA A 14 -6.230 0.298 -0.309 1.00 0.16 H new ATOM 0 H1' DA A 14 -5.737 0.046 1.904 1.00 0.13 H new ATOM 0 H8 DA A 14 -6.093 -2.622 1.089 1.00 0.13 H new ATOM 0 H61 DA A 14 -10.271 -4.976 4.958 1.00 0.16 H new ATOM 0 H62 DA A 14 -9.002 -5.363 3.792 1.00 0.16 H new ATOM 0 H2 DA A 14 -10.531 -0.496 5.136 1.00 0.21 H new ATOM 452 P DT A 15 -7.336 4.085 -0.833 1.00 0.14 P ATOM 453 OP1 DT A 15 -8.404 4.586 0.061 1.00 0.15 O ATOM 454 OP2 DT A 15 -7.605 3.918 -2.278 1.00 0.16 O ATOM 455 O5' DT A 15 -6.053 5.045 -0.668 1.00 0.13 O ATOM 456 C5' DT A 15 -5.787 6.072 -1.629 1.00 0.11 C ATOM 457 C4' DT A 15 -4.779 5.607 -2.679 1.00 0.07 C ATOM 458 O4' DT A 15 -3.683 4.907 -2.046 1.00 0.08 O ATOM 459 C3' DT A 15 -5.429 4.667 -3.691 1.00 0.05 C ATOM 460 O3' DT A 15 -5.250 5.147 -5.034 1.00 0.11 O ATOM 461 C2' DT A 15 -4.755 3.340 -3.492 1.00 0.08 C ATOM 462 C1' DT A 15 -3.585 3.562 -2.559 1.00 0.07 C ATOM 463 N1 DT A 15 -3.612 2.578 -1.465 1.00 0.10 N ATOM 464 C2 DT A 15 -3.187 1.297 -1.757 1.00 0.13 C ATOM 465 O2 DT A 15 -2.803 0.974 -2.880 1.00 0.22 O ATOM 466 N3 DT A 15 -3.242 0.392 -0.718 1.00 0.11 N ATOM 467 C4 DT A 15 -3.685 0.654 0.568 1.00 0.11 C ATOM 468 O4 DT A 15 -3.709 -0.234 1.415 1.00 0.13 O ATOM 469 C5 DT A 15 -4.110 2.019 0.778 1.00 0.12 C ATOM 470 C7 DT A 15 -4.659 2.439 2.140 1.00 0.10 C ATOM 471 C6 DT A 15 -4.060 2.921 -0.220 1.00 0.11 C ATOM 0 H5' DT A 15 -5.403 6.957 -1.121 1.00 0.11 H new ATOM 0 H5'' DT A 15 -6.716 6.363 -2.119 1.00 0.11 H new ATOM 0 H4' DT A 15 -4.413 6.495 -3.195 1.00 0.07 H new ATOM 0 H3' DT A 15 -6.506 4.596 -3.541 1.00 0.05 H new ATOM 0 H2' DT A 15 -5.451 2.616 -3.069 1.00 0.08 H new ATOM 0 H2'' DT A 15 -4.414 2.936 -4.445 1.00 0.08 H new ATOM 0 H1' DT A 15 -2.641 3.434 -3.089 1.00 0.07 H new ATOM 0 H3 DT A 15 -2.927 -0.558 -0.915 1.00 0.11 H new ATOM 0 H71 DT A 15 -5.145 1.587 2.615 1.00 0.10 H new ATOM 0 H72 DT A 15 -3.841 2.788 2.770 1.00 0.10 H new ATOM 0 H73 DT A 15 -5.383 3.243 2.008 1.00 0.10 H new ATOM 0 H6 DT A 15 -4.380 3.935 -0.033 1.00 0.11 H new ATOM 484 P DT A 16 -3.781 5.442 -5.634 1.00 0.16 P ATOM 485 OP1 DT A 16 -2.775 4.859 -4.720 1.00 0.22 O ATOM 486 OP2 DT A 16 -3.708 6.877 -5.991 1.00 0.23 O ATOM 487 O5' DT A 16 -3.779 4.583 -7.000 1.00 0.19 O ATOM 488 C5' DT A 16 -4.072 3.185 -6.961 1.00 0.16 C ATOM 489 C4' DT A 16 -3.997 2.534 -8.338 1.00 0.20 C ATOM 490 O4' DT A 16 -4.256 1.112 -8.236 1.00 0.22 O ATOM 491 C3' DT A 16 -5.024 3.131 -9.297 1.00 0.14 C ATOM 492 O3' DT A 16 -4.405 3.526 -10.529 1.00 0.13 O ATOM 493 C2' DT A 16 -6.029 2.040 -9.538 1.00 0.15 C ATOM 494 C1' DT A 16 -5.442 0.757 -8.984 1.00 0.18 C ATOM 495 N1 DT A 16 -6.424 0.054 -8.124 1.00 0.23 N ATOM 496 C2 DT A 16 -7.028 -1.081 -8.636 1.00 0.33 C ATOM 497 O2 DT A 16 -6.769 -1.510 -9.757 1.00 0.31 O ATOM 498 N3 DT A 16 -7.942 -1.709 -7.808 1.00 0.48 N ATOM 499 C4 DT A 16 -8.300 -1.305 -6.532 1.00 0.56 C ATOM 500 O4 DT A 16 -9.128 -1.940 -5.883 1.00 0.74 O ATOM 501 C5 DT A 16 -7.619 -0.111 -6.083 1.00 0.41 C ATOM 502 C7 DT A 16 -7.918 0.454 -4.695 1.00 0.48 C ATOM 503 C6 DT A 16 -6.725 0.517 -6.871 1.00 0.25 C ATOM 0 H5' DT A 16 -5.069 3.038 -6.547 1.00 0.16 H new ATOM 0 H5'' DT A 16 -3.371 2.689 -6.289 1.00 0.16 H new ATOM 0 H4' DT A 16 -2.994 2.716 -8.723 1.00 0.20 H new ATOM 0 H3' DT A 16 -5.487 4.026 -8.881 1.00 0.14 H new ATOM 0 H2' DT A 16 -6.974 2.273 -9.048 1.00 0.15 H new ATOM 0 H2'' DT A 16 -6.238 1.939 -10.603 1.00 0.15 H new ATOM 0 H1' DT A 16 -5.188 0.073 -9.794 1.00 0.18 H new ATOM 0 H3 DT A 16 -8.394 -2.548 -8.171 1.00 0.48 H new ATOM 0 H71 DT A 16 -7.032 0.958 -4.309 1.00 0.48 H new ATOM 0 H72 DT A 16 -8.740 1.166 -4.762 1.00 0.48 H new ATOM 0 H73 DT A 16 -8.195 -0.359 -4.023 1.00 0.48 H new ATOM 0 H6 DT A 16 -6.234 1.407 -6.506 1.00 0.25 H new ATOM 516 P DG A 17 -3.312 2.578 -11.240 1.00 0.10 P ATOM 517 OP1 DG A 17 -3.073 3.089 -12.609 1.00 0.18 O ATOM 518 OP2 DG A 17 -3.717 1.168 -11.039 1.00 0.07 O ATOM 519 O5' DG A 17 -1.992 2.856 -10.358 1.00 0.08 O ATOM 520 C5' DG A 17 -1.002 1.834 -10.164 1.00 0.12 C ATOM 521 C4' DG A 17 0.411 2.389 -10.227 1.00 0.09 C ATOM 522 O4' DG A 17 0.596 3.408 -9.220 1.00 0.07 O ATOM 523 C3' DG A 17 1.448 1.295 -9.984 1.00 0.11 C ATOM 524 O3' DG A 17 2.465 1.321 -10.990 1.00 0.12 O ATOM 525 C2' DG A 17 2.034 1.593 -8.641 1.00 0.11 C ATOM 526 C1' DG A 17 1.622 3.008 -8.285 1.00 0.07 C ATOM 527 N9 DG A 17 1.126 3.109 -6.892 1.00 0.09 N ATOM 528 C8 DG A 17 1.149 4.171 -6.054 1.00 0.12 C ATOM 529 N7 DG A 17 0.647 4.021 -4.875 1.00 0.13 N ATOM 530 C5 DG A 17 0.225 2.689 -4.912 1.00 0.08 C ATOM 531 C6 DG A 17 -0.415 1.910 -3.909 1.00 0.09 C ATOM 532 O6 DG A 17 -0.734 2.249 -2.771 1.00 0.18 O ATOM 533 N1 DG A 17 -0.671 0.618 -4.350 1.00 0.06 N ATOM 534 C2 DG A 17 -0.347 0.130 -5.602 1.00 0.05 C ATOM 535 N2 DG A 17 -0.667 -1.142 -5.840 1.00 0.11 N ATOM 536 N3 DG A 17 0.257 0.856 -6.551 1.00 0.06 N ATOM 537 C4 DG A 17 0.514 2.120 -6.143 1.00 0.06 C ATOM 0 H5' DG A 17 -1.123 1.063 -10.925 1.00 0.12 H new ATOM 0 H5'' DG A 17 -1.160 1.355 -9.198 1.00 0.12 H new ATOM 0 H4' DG A 17 0.547 2.807 -11.224 1.00 0.09 H new ATOM 0 H3' DG A 17 0.998 0.303 -10.022 1.00 0.11 H new ATOM 0 H2' DG A 17 1.670 0.886 -7.895 1.00 0.11 H new ATOM 0 H2'' DG A 17 3.120 1.501 -8.664 1.00 0.11 H new ATOM 0 H1' DG A 17 2.488 3.667 -8.350 1.00 0.07 H new ATOM 0 H8 DG A 17 1.574 5.115 -6.362 1.00 0.12 H new ATOM 0 H1 DG A 17 -1.133 -0.019 -3.701 1.00 0.06 H new ATOM 0 H21 DG A 17 -0.454 -1.561 -6.745 1.00 0.11 H new ATOM 0 H22 DG A 17 -1.125 -1.697 -5.117 1.00 0.11 H new ATOM 549 P DG A 18 3.124 2.719 -11.454 1.00 0.06 P ATOM 550 OP1 DG A 18 2.101 3.487 -12.199 1.00 0.22 O ATOM 551 OP2 DG A 18 4.431 2.426 -12.085 1.00 0.09 O ATOM 552 O5' DG A 18 3.396 3.469 -10.055 1.00 0.13 O ATOM 553 C5' DG A 18 4.731 3.590 -9.548 1.00 0.12 C ATOM 554 C4' DG A 18 4.902 4.769 -8.597 1.00 0.11 C ATOM 555 O4' DG A 18 3.974 4.675 -7.487 1.00 0.11 O ATOM 556 C3' DG A 18 6.316 4.806 -8.019 1.00 0.11 C ATOM 557 O3' DG A 18 6.875 6.118 -8.132 1.00 0.12 O ATOM 558 C2' DG A 18 6.156 4.413 -6.581 1.00 0.08 C ATOM 559 C1' DG A 18 4.700 4.597 -6.239 1.00 0.08 C ATOM 560 N9 DG A 18 4.230 3.470 -5.424 1.00 0.12 N ATOM 561 C8 DG A 18 3.916 2.216 -5.810 1.00 0.14 C ATOM 562 N7 DG A 18 3.560 1.379 -4.895 1.00 0.20 N ATOM 563 C5 DG A 18 3.645 2.166 -3.742 1.00 0.19 C ATOM 564 C6 DG A 18 3.380 1.827 -2.388 1.00 0.22 C ATOM 565 O6 DG A 18 3.014 0.748 -1.929 1.00 0.26 O ATOM 566 N1 DG A 18 3.591 2.910 -1.543 1.00 0.19 N ATOM 567 C2 DG A 18 4.003 4.165 -1.946 1.00 0.15 C ATOM 568 N2 DG A 18 4.154 5.073 -0.981 1.00 0.17 N ATOM 569 N3 DG A 18 4.252 4.490 -3.218 1.00 0.13 N ATOM 570 C4 DG A 18 4.055 3.451 -4.059 1.00 0.15 C ATOM 0 H5' DG A 18 5.422 3.701 -10.383 1.00 0.12 H new ATOM 0 H5'' DG A 18 5.002 2.670 -9.030 1.00 0.12 H new ATOM 0 H4' DG A 18 4.710 5.673 -9.175 1.00 0.11 H new ATOM 0 H3' DG A 18 6.995 4.139 -8.550 1.00 0.11 H new ATOM 0 H2' DG A 18 6.462 3.378 -6.427 1.00 0.08 H new ATOM 0 H2'' DG A 18 6.785 5.030 -5.939 1.00 0.08 H new ATOM 0 H1' DG A 18 4.544 5.506 -5.658 1.00 0.08 H new ATOM 0 H8 DG A 18 3.961 1.923 -6.849 1.00 0.14 H new ATOM 0 H1 DG A 18 3.429 2.767 -0.546 1.00 0.19 H new ATOM 0 H21 DG A 18 4.456 6.019 -1.214 1.00 0.17 H new ATOM 0 H22 DG A 18 3.967 4.821 -0.010 1.00 0.17 H new ATOM 582 P DG A 19 8.295 6.463 -7.455 1.00 0.13 P ATOM 583 OP1 DG A 19 8.679 7.836 -7.854 1.00 0.19 O ATOM 584 OP2 DG A 19 9.217 5.334 -7.710 1.00 0.21 O ATOM 585 O5' DG A 19 7.933 6.477 -5.884 1.00 0.12 O ATOM 586 C5' DG A 19 7.276 7.610 -5.300 1.00 0.11 C ATOM 587 C4' DG A 19 7.653 7.811 -3.844 1.00 0.11 C ATOM 588 O4' DG A 19 6.888 6.944 -2.981 1.00 0.12 O ATOM 589 C3' DG A 19 9.129 7.516 -3.625 1.00 0.13 C ATOM 590 O3' DG A 19 9.851 8.706 -3.284 1.00 0.18 O ATOM 591 C2' DG A 19 9.174 6.515 -2.504 1.00 0.11 C ATOM 592 C1' DG A 19 7.757 6.355 -1.997 1.00 0.11 C ATOM 593 N9 DG A 19 7.420 4.935 -1.778 1.00 0.12 N ATOM 594 C8 DG A 19 7.151 3.959 -2.679 1.00 0.10 C ATOM 595 N7 DG A 19 6.850 2.790 -2.221 1.00 0.10 N ATOM 596 C5 DG A 19 6.927 2.995 -0.840 1.00 0.09 C ATOM 597 C6 DG A 19 6.706 2.086 0.232 1.00 0.09 C ATOM 598 O6 DG A 19 6.391 0.899 0.173 1.00 0.11 O ATOM 599 N1 DG A 19 6.888 2.699 1.467 1.00 0.08 N ATOM 600 C2 DG A 19 7.241 4.024 1.650 1.00 0.10 C ATOM 601 N2 DG A 19 7.374 4.433 2.909 1.00 0.16 N ATOM 602 N3 DG A 19 7.450 4.882 0.647 1.00 0.12 N ATOM 603 C4 DG A 19 7.277 4.308 -0.562 1.00 0.11 C ATOM 0 H5' DG A 19 6.197 7.481 -5.378 1.00 0.11 H new ATOM 0 H5'' DG A 19 7.532 8.506 -5.866 1.00 0.11 H new ATOM 0 H4' DG A 19 7.438 8.851 -3.600 1.00 0.11 H new ATOM 0 H3' DG A 19 9.599 7.130 -4.529 1.00 0.13 H new ATOM 0 H2' DG A 19 9.568 5.561 -2.854 1.00 0.11 H new ATOM 0 H2'' DG A 19 9.833 6.859 -1.706 1.00 0.11 H new ATOM 0 H1' DG A 19 7.642 6.850 -1.033 1.00 0.11 H new ATOM 0 H8 DG A 19 7.187 4.152 -3.741 1.00 0.10 H new ATOM 0 H1 DG A 19 6.751 2.128 2.301 1.00 0.08 H new ATOM 0 H21 DG A 19 7.633 5.400 3.107 1.00 0.16 H new ATOM 0 H22 DG A 19 7.217 3.780 3.677 1.00 0.16 H new ATOM 615 P DC A 20 9.491 9.547 -1.956 1.00 0.19 P ATOM 616 OP1 DC A 20 10.605 10.484 -1.689 1.00 0.28 O ATOM 617 OP2 DC A 20 9.059 8.600 -0.905 1.00 0.21 O ATOM 618 O5' DC A 20 8.210 10.408 -2.414 1.00 0.16 O ATOM 619 C5' DC A 20 7.450 11.141 -1.449 1.00 0.18 C ATOM 620 C4' DC A 20 6.829 12.397 -2.057 1.00 0.11 C ATOM 621 O4' DC A 20 7.857 13.277 -2.566 1.00 0.07 O ATOM 622 C3' DC A 20 5.886 12.048 -3.204 1.00 0.12 C ATOM 623 O3' DC A 20 4.568 12.542 -2.947 1.00 0.18 O ATOM 624 C2' DC A 20 6.470 12.704 -4.424 1.00 0.11 C ATOM 625 C1' DC A 20 7.643 13.549 -3.967 1.00 0.09 C ATOM 626 N1 DC A 20 8.855 13.231 -4.750 1.00 0.17 N ATOM 627 C2 DC A 20 9.353 14.210 -5.599 1.00 0.20 C ATOM 628 O2 DC A 20 8.786 15.298 -5.683 1.00 0.22 O ATOM 629 N3 DC A 20 10.471 13.930 -6.322 1.00 0.25 N ATOM 630 C4 DC A 20 11.077 12.740 -6.219 1.00 0.32 C ATOM 631 N4 DC A 20 12.171 12.498 -6.941 1.00 0.38 N ATOM 632 C5 DC A 20 10.567 11.727 -5.346 1.00 0.30 C ATOM 633 C6 DC A 20 9.461 12.015 -4.634 1.00 0.22 C ATOM 0 H5' DC A 20 8.093 11.420 -0.615 1.00 0.18 H new ATOM 0 H5'' DC A 20 6.663 10.504 -1.045 1.00 0.18 H new ATOM 0 H4' DC A 20 6.269 12.894 -1.265 1.00 0.11 H new ATOM 0 H3' DC A 20 5.795 10.969 -3.332 1.00 0.12 H new ATOM 0 H2' DC A 20 6.795 11.954 -5.145 1.00 0.11 H new ATOM 0 H2'' DC A 20 5.723 13.322 -4.922 1.00 0.11 H new ATOM 0 H1' DC A 20 7.428 14.607 -4.120 1.00 0.09 H new ATOM 0 H41 DC A 20 12.640 11.595 -6.870 1.00 0.38 H new ATOM 0 H42 DC A 20 12.539 13.216 -7.565 1.00 0.38 H new ATOM 0 H5 DC A 20 11.052 10.766 -5.261 1.00 0.30 H new ATOM 0 H6 DC A 20 9.049 11.275 -3.964 1.00 0.22 H new ATOM 645 P DG A 21 3.744 12.053 -1.652 1.00 0.13 P ATOM 646 OP1 DG A 21 2.499 12.849 -1.568 1.00 0.14 O ATOM 647 OP2 DG A 21 4.672 12.013 -0.498 1.00 0.18 O ATOM 648 O5' DG A 21 3.349 10.540 -2.034 1.00 0.15 O ATOM 649 C5' DG A 21 2.221 9.904 -1.415 1.00 0.18 C ATOM 650 C4' DG A 21 2.303 9.925 0.105 1.00 0.19 C ATOM 651 O4' DG A 21 1.158 9.260 0.685 1.00 0.23 O ATOM 652 C3' DG A 21 3.563 9.220 0.599 1.00 0.20 C ATOM 653 O3' DG A 21 4.452 10.147 1.236 1.00 0.18 O ATOM 654 C2' DG A 21 3.089 8.170 1.567 1.00 0.23 C ATOM 655 C1' DG A 21 1.584 8.306 1.681 1.00 0.26 C ATOM 656 N9 DG A 21 0.930 7.000 1.476 1.00 0.26 N ATOM 657 C8 DG A 21 0.407 6.143 2.386 1.00 0.33 C ATOM 658 N7 DG A 21 -0.082 5.031 1.949 1.00 0.26 N ATOM 659 C5 DG A 21 0.133 5.146 0.573 1.00 0.18 C ATOM 660 C6 DG A 21 -0.183 4.241 -0.475 1.00 0.18 C ATOM 661 O6 DG A 21 -0.719 3.137 -0.395 1.00 0.21 O ATOM 662 N1 DG A 21 0.202 4.742 -1.713 1.00 0.23 N ATOM 663 C2 DG A 21 0.817 5.960 -1.921 1.00 0.19 C ATOM 664 N2 DG A 21 1.108 6.268 -3.185 1.00 0.30 N ATOM 665 N3 DG A 21 1.119 6.816 -0.940 1.00 0.12 N ATOM 666 C4 DG A 21 0.752 6.351 0.275 1.00 0.16 C ATOM 0 H5' DG A 21 2.156 8.871 -1.758 1.00 0.18 H new ATOM 0 H5'' DG A 21 1.306 10.404 -1.733 1.00 0.18 H new ATOM 0 H4' DG A 21 2.326 10.971 0.411 1.00 0.19 H new ATOM 0 H3' DG A 21 4.124 8.777 -0.224 1.00 0.20 H new ATOM 0 H2' DG A 21 3.359 7.174 1.216 1.00 0.23 H new ATOM 0 H2'' DG A 21 3.561 8.304 2.540 1.00 0.23 H new ATOM 0 H1' DG A 21 1.304 8.652 2.676 1.00 0.26 H new ATOM 0 H8 DG A 21 0.400 6.382 3.439 1.00 0.33 H new ATOM 0 H1 DG A 21 0.015 4.164 -2.532 1.00 0.23 H new ATOM 0 H21 DG A 21 1.563 7.155 -3.402 1.00 0.30 H new ATOM 0 H22 DG A 21 0.876 5.617 -3.935 1.00 0.30 H new ATOM 678 P DG A 22 4.064 10.829 2.643 1.00 0.16 P ATOM 679 OP1 DG A 22 2.643 11.240 2.582 1.00 0.15 O ATOM 680 OP2 DG A 22 5.107 11.822 2.980 1.00 0.32 O ATOM 681 O5' DG A 22 4.188 9.596 3.674 1.00 0.20 O ATOM 682 C5' DG A 22 3.645 9.698 4.996 1.00 0.20 C ATOM 683 C4' DG A 22 3.886 8.447 5.831 1.00 0.16 C ATOM 684 O4' DG A 22 3.297 7.282 5.212 1.00 0.17 O ATOM 685 C3' DG A 22 5.376 8.170 6.011 1.00 0.15 C ATOM 686 O3' DG A 22 5.794 8.483 7.346 1.00 0.14 O ATOM 687 C2' DG A 22 5.549 6.702 5.718 1.00 0.13 C ATOM 688 C1' DG A 22 4.183 6.155 5.362 1.00 0.12 C ATOM 689 N9 DG A 22 4.233 5.344 4.128 1.00 0.10 N ATOM 690 C8 DG A 22 4.673 5.671 2.888 1.00 0.15 C ATOM 691 N7 DG A 22 4.600 4.764 1.970 1.00 0.17 N ATOM 692 C5 DG A 22 4.045 3.690 2.673 1.00 0.09 C ATOM 693 C6 DG A 22 3.712 2.379 2.226 1.00 0.07 C ATOM 694 O6 DG A 22 3.840 1.902 1.102 1.00 0.08 O ATOM 695 N1 DG A 22 3.177 1.610 3.254 1.00 0.10 N ATOM 696 C2 DG A 22 2.985 2.049 4.553 1.00 0.14 C ATOM 697 N2 DG A 22 2.455 1.175 5.404 1.00 0.16 N ATOM 698 N3 DG A 22 3.296 3.275 4.977 1.00 0.14 N ATOM 699 C4 DG A 22 3.819 4.040 3.994 1.00 0.10 C ATOM 0 H5' DG A 22 2.573 9.884 4.930 1.00 0.20 H new ATOM 0 H5'' DG A 22 4.088 10.557 5.500 1.00 0.20 H new ATOM 0 H4' DG A 22 3.423 8.635 6.800 1.00 0.16 H new ATOM 0 H3' DG A 22 5.986 8.785 5.349 1.00 0.15 H new ATOM 0 H2' DG A 22 6.250 6.553 4.896 1.00 0.13 H new ATOM 0 H2'' DG A 22 5.958 6.182 6.584 1.00 0.13 H new ATOM 0 H1' DG A 22 3.824 5.491 6.148 1.00 0.12 H new ATOM 0 H8 DG A 22 5.070 6.653 2.675 1.00 0.15 H new ATOM 0 H1 DG A 22 2.906 0.651 3.035 1.00 0.10 H new ATOM 0 H21 DG A 22 2.291 1.443 6.374 1.00 0.16 H new ATOM 0 H22 DG A 22 2.213 0.237 5.086 1.00 0.16 H new ATOM 711 P DG A 23 7.243 8.027 7.884 1.00 0.09 P ATOM 712 OP1 DG A 23 7.577 8.852 9.067 1.00 0.14 O ATOM 713 OP2 DG A 23 8.170 7.979 6.733 1.00 0.13 O ATOM 714 O5' DG A 23 6.975 6.517 8.381 1.00 0.10 O ATOM 715 C5' DG A 23 6.306 6.268 9.626 1.00 0.14 C ATOM 716 C4' DG A 23 6.422 4.816 10.072 1.00 0.10 C ATOM 717 O4' DG A 23 5.785 3.933 9.125 1.00 0.17 O ATOM 718 C3' DG A 23 7.882 4.391 10.196 1.00 0.07 C ATOM 719 O3' DG A 23 8.195 4.021 11.543 1.00 0.13 O ATOM 720 C2' DG A 23 8.046 3.226 9.267 1.00 0.18 C ATOM 721 C1' DG A 23 6.662 2.828 8.825 1.00 0.16 C ATOM 722 N9 DG A 23 6.639 2.507 7.386 1.00 0.09 N ATOM 723 C8 DG A 23 6.871 3.311 6.319 1.00 0.11 C ATOM 724 N7 DG A 23 6.791 2.786 5.147 1.00 0.11 N ATOM 725 C5 DG A 23 6.467 1.462 5.444 1.00 0.06 C ATOM 726 C6 DG A 23 6.242 0.367 4.571 1.00 0.06 C ATOM 727 O6 DG A 23 6.286 0.355 3.341 1.00 0.08 O ATOM 728 N1 DG A 23 5.941 -0.794 5.277 1.00 0.09 N ATOM 729 C2 DG A 23 5.864 -0.891 6.652 1.00 0.13 C ATOM 730 N2 DG A 23 5.560 -2.093 7.140 1.00 0.15 N ATOM 731 N3 DG A 23 6.075 0.139 7.482 1.00 0.12 N ATOM 732 C4 DG A 23 6.370 1.280 6.816 1.00 0.08 C ATOM 0 H5' DG A 23 5.253 6.531 9.527 1.00 0.14 H new ATOM 0 H5'' DG A 23 6.726 6.916 10.396 1.00 0.14 H new ATOM 0 H4' DG A 23 5.931 4.746 11.042 1.00 0.10 H new ATOM 0 H3' DG A 23 8.559 5.206 9.938 1.00 0.07 H new ATOM 0 H2' DG A 23 8.663 3.498 8.410 1.00 0.18 H new ATOM 0 H2'' DG A 23 8.545 2.397 9.769 1.00 0.18 H new ATOM 0 HO3' DG A 23 9.135 3.751 11.598 1.00 0.13 H new ATOM 0 H1' DG A 23 6.336 1.930 9.349 1.00 0.16 H new ATOM 0 H8 DG A 23 7.114 4.355 6.448 1.00 0.11 H new ATOM 0 H1 DG A 23 5.763 -1.640 4.736 1.00 0.09 H new ATOM 0 H21 DG A 23 5.488 -2.231 8.148 1.00 0.15 H new ATOM 0 H22 DG A 23 5.400 -2.875 6.505 1.00 0.15 H new TER 745 DG A 23