USER MOD reduce.3.24.130724 H: found=0, std=0, add=210, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 208 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 75:sc= 1.1 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -7.18! (180deg=-7.18!) USER MOD Single : A 5 DT C7 :methyl -30:sc= -12.4! (180deg=-15.2!) USER MOD Single : A 8 DT C7 :methyl -30:sc= -4.29 (180deg=-10.8!) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= -9.01! (180deg=-9.01!) USER MOD Single : A 11 DT C7 :methyl -30:sc= -4.73! (180deg=-11.1!) USER MOD Single : A 14 DT C7 :methyl 150:sc= -17.9! (180deg=-17.9!) USER MOD Single : A 15 DT C7 :methyl 150:sc= -7.87! (180deg=-7.87!) USER MOD Single : A 16 DT C7 :methyl 150:sc= -5.78! (180deg=-5.78!) USER MOD Single : A 18 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -6.134 3.898 -4.360 1.00 0.48 O ATOM 2 C5' DG A 1 -6.066 4.736 -5.519 1.00 0.37 C ATOM 3 C4' DG A 1 -5.618 3.951 -6.752 1.00 0.22 C ATOM 4 O4' DG A 1 -4.209 3.717 -6.695 1.00 0.22 O ATOM 5 C3' DG A 1 -6.283 2.589 -6.886 1.00 0.17 C ATOM 6 O3' DG A 1 -6.453 2.284 -8.282 1.00 0.24 O ATOM 7 C2' DG A 1 -5.284 1.648 -6.247 1.00 0.15 C ATOM 8 C1' DG A 1 -3.973 2.302 -6.642 1.00 0.15 C ATOM 9 N9 DG A 1 -2.887 2.087 -5.690 1.00 0.13 N ATOM 10 C8 DG A 1 -1.587 1.830 -5.942 1.00 0.13 C ATOM 11 N7 DG A 1 -0.822 1.761 -4.895 1.00 0.12 N ATOM 12 C5 DG A 1 -1.709 1.999 -3.846 1.00 0.11 C ATOM 13 C6 DG A 1 -1.475 2.063 -2.450 1.00 0.12 C ATOM 14 O6 DG A 1 -0.415 1.927 -1.856 1.00 0.15 O ATOM 15 N1 DG A 1 -2.647 2.325 -1.751 1.00 0.12 N ATOM 16 C2 DG A 1 -3.886 2.499 -2.332 1.00 0.13 C ATOM 17 N2 DG A 1 -4.908 2.695 -1.519 1.00 0.14 N ATOM 18 N3 DG A 1 -4.100 2.446 -3.638 1.00 0.14 N ATOM 19 C4 DG A 1 -2.975 2.194 -4.331 1.00 0.12 C ATOM 0 H5' DG A 1 -5.372 5.556 -5.336 1.00 0.37 H new ATOM 0 H5'' DG A 1 -7.043 5.181 -5.705 1.00 0.37 H new ATOM 0 H4' DG A 1 -5.906 4.565 -7.606 1.00 0.22 H new ATOM 0 H3' DG A 1 -7.268 2.527 -6.423 1.00 0.17 H new ATOM 0 H2' DG A 1 -5.406 1.590 -5.165 1.00 0.15 H new ATOM 0 H2'' DG A 1 -5.370 0.632 -6.632 1.00 0.15 H new ATOM 0 HO5' DG A 1 -5.227 3.710 -4.039 1.00 0.48 H new ATOM 0 H1' DG A 1 -3.665 1.861 -7.590 1.00 0.15 H new ATOM 0 H8 DG A 1 -1.209 1.691 -6.944 1.00 0.13 H new ATOM 0 H1 DG A 1 -2.587 2.394 -0.735 1.00 0.12 H new ATOM 0 H21 DG A 1 -5.845 2.829 -1.900 1.00 0.14 H new ATOM 0 H22 DG A 1 -4.761 2.712 -0.510 1.00 0.14 H new ATOM 31 P DG A 2 -6.707 0.778 -8.814 1.00 0.30 P ATOM 32 OP1 DG A 2 -7.521 0.864 -10.047 1.00 0.44 O ATOM 33 OP2 DG A 2 -7.183 -0.049 -7.680 1.00 0.31 O ATOM 34 O5' DG A 2 -5.221 0.286 -9.229 1.00 0.33 O ATOM 35 C5' DG A 2 -4.436 -0.532 -8.352 1.00 0.19 C ATOM 36 C4' DG A 2 -3.315 -1.248 -9.080 1.00 0.18 C ATOM 37 O4' DG A 2 -2.063 -0.711 -8.633 1.00 0.19 O ATOM 38 C3' DG A 2 -3.307 -2.755 -8.839 1.00 0.18 C ATOM 39 O3' DG A 2 -3.439 -3.440 -10.089 1.00 0.20 O ATOM 40 C2' DG A 2 -1.944 -3.065 -8.234 1.00 0.19 C ATOM 41 C1' DG A 2 -1.333 -1.713 -7.926 1.00 0.17 C ATOM 42 N9 DG A 2 -1.349 -1.406 -6.496 1.00 0.15 N ATOM 43 C8 DG A 2 -2.411 -1.183 -5.674 1.00 0.16 C ATOM 44 N7 DG A 2 -2.114 -1.078 -4.414 1.00 0.15 N ATOM 45 C5 DG A 2 -0.731 -1.241 -4.400 1.00 0.13 C ATOM 46 C6 DG A 2 0.174 -1.229 -3.308 1.00 0.13 C ATOM 47 O6 DG A 2 -0.080 -1.081 -2.122 1.00 0.14 O ATOM 48 N1 DG A 2 1.484 -1.429 -3.726 1.00 0.12 N ATOM 49 C2 DG A 2 1.870 -1.618 -5.044 1.00 0.13 C ATOM 50 N2 DG A 2 3.165 -1.796 -5.277 1.00 0.14 N ATOM 51 N3 DG A 2 1.018 -1.630 -6.063 1.00 0.14 N ATOM 52 C4 DG A 2 -0.258 -1.437 -5.670 1.00 0.14 C ATOM 0 H5' DG A 2 -5.081 -1.267 -7.871 1.00 0.19 H new ATOM 0 H5'' DG A 2 -4.014 0.088 -7.561 1.00 0.19 H new ATOM 0 H4' DG A 2 -3.471 -1.090 -10.147 1.00 0.18 H new ATOM 0 H3' DG A 2 -4.124 -3.068 -8.189 1.00 0.18 H new ATOM 0 H2' DG A 2 -2.041 -3.669 -7.332 1.00 0.19 H new ATOM 0 H2'' DG A 2 -1.323 -3.629 -8.930 1.00 0.19 H new ATOM 0 H1' DG A 2 -0.290 -1.735 -8.240 1.00 0.17 H new ATOM 0 H8 DG A 2 -3.423 -1.100 -6.042 1.00 0.16 H new ATOM 0 H1 DG A 2 2.213 -1.437 -3.013 1.00 0.12 H new ATOM 0 H21 DG A 2 3.497 -1.939 -6.231 1.00 0.14 H new ATOM 0 H22 DG A 2 3.828 -1.790 -4.502 1.00 0.14 H new ATOM 64 P DT A 3 -3.757 -5.019 -10.128 1.00 0.23 P ATOM 65 OP1 DT A 3 -3.341 -5.541 -11.448 1.00 0.31 O ATOM 66 OP2 DT A 3 -5.147 -5.226 -9.661 1.00 0.29 O ATOM 67 O5' DT A 3 -2.755 -5.608 -9.010 1.00 0.22 O ATOM 68 C5' DT A 3 -3.236 -5.944 -7.703 1.00 0.20 C ATOM 69 C4' DT A 3 -2.109 -6.336 -6.759 1.00 0.18 C ATOM 70 O4' DT A 3 -2.589 -6.351 -5.426 1.00 0.21 O ATOM 71 C3' DT A 3 -1.623 -7.738 -6.981 1.00 0.18 C ATOM 72 O3' DT A 3 -0.409 -7.955 -6.244 1.00 0.22 O ATOM 73 C2' DT A 3 -2.769 -8.525 -6.361 1.00 0.22 C ATOM 74 C1' DT A 3 -3.258 -7.607 -5.245 1.00 0.23 C ATOM 75 N1 DT A 3 -4.701 -7.318 -5.255 1.00 0.30 N ATOM 76 C2 DT A 3 -5.599 -8.311 -5.616 1.00 0.50 C ATOM 77 O2 DT A 3 -5.254 -9.461 -5.876 1.00 0.57 O ATOM 78 N3 DT A 3 -6.929 -7.938 -5.630 1.00 0.61 N ATOM 79 C4 DT A 3 -7.429 -6.686 -5.319 1.00 0.54 C ATOM 80 O4 DT A 3 -8.635 -6.466 -5.376 1.00 0.67 O ATOM 81 C5 DT A 3 -6.411 -5.724 -4.950 1.00 0.35 C ATOM 82 C7 DT A 3 -6.812 -4.297 -4.581 1.00 0.35 C ATOM 83 C6 DT A 3 -5.110 -6.074 -4.932 1.00 0.25 C ATOM 0 H5' DT A 3 -3.946 -6.767 -7.780 1.00 0.20 H new ATOM 0 H5'' DT A 3 -3.777 -5.094 -7.287 1.00 0.20 H new ATOM 0 H4' DT A 3 -1.314 -5.613 -6.940 1.00 0.18 H new ATOM 0 H3' DT A 3 -1.398 -7.996 -8.016 1.00 0.18 H new ATOM 0 H2' DT A 3 -3.556 -8.731 -7.087 1.00 0.22 H new ATOM 0 H2'' DT A 3 -2.434 -9.487 -5.973 1.00 0.22 H new ATOM 0 H1' DT A 3 -3.048 -8.118 -4.305 1.00 0.23 H new ATOM 0 H3 DT A 3 -7.606 -8.653 -5.895 1.00 0.61 H new ATOM 0 H71 DT A 3 -6.099 -3.893 -3.863 1.00 0.35 H new ATOM 0 H72 DT A 3 -6.816 -3.677 -5.477 1.00 0.35 H new ATOM 0 H73 DT A 3 -7.808 -4.302 -4.139 1.00 0.35 H new ATOM 0 H6 DT A 3 -4.373 -5.337 -4.651 1.00 0.25 H new ATOM 96 P DT A 4 0.931 -7.120 -6.584 1.00 0.20 P ATOM 97 OP1 DT A 4 0.718 -6.397 -7.859 1.00 0.27 O ATOM 98 OP2 DT A 4 2.084 -8.035 -6.448 1.00 0.31 O ATOM 99 O5' DT A 4 1.003 -6.030 -5.391 1.00 0.20 O ATOM 100 C5' DT A 4 2.221 -5.311 -5.124 1.00 0.19 C ATOM 101 C4' DT A 4 2.924 -5.790 -3.880 1.00 0.21 C ATOM 102 O4' DT A 4 2.102 -5.660 -2.736 1.00 0.23 O ATOM 103 C3' DT A 4 3.341 -7.249 -3.950 1.00 0.24 C ATOM 104 O3' DT A 4 4.502 -7.467 -3.141 1.00 0.32 O ATOM 105 C2' DT A 4 2.143 -7.973 -3.349 1.00 0.26 C ATOM 106 C1' DT A 4 1.555 -6.944 -2.405 1.00 0.24 C ATOM 107 N1 DT A 4 0.099 -6.798 -2.506 1.00 0.25 N ATOM 108 C2 DT A 4 -0.723 -7.855 -2.163 1.00 0.28 C ATOM 109 O2 DT A 4 -0.292 -8.978 -1.916 1.00 0.33 O ATOM 110 N3 DT A 4 -2.076 -7.592 -2.206 1.00 0.30 N ATOM 111 C4 DT A 4 -2.657 -6.392 -2.574 1.00 0.28 C ATOM 112 O4 DT A 4 -3.875 -6.258 -2.566 1.00 0.33 O ATOM 113 C5 DT A 4 -1.700 -5.375 -2.939 1.00 0.24 C ATOM 114 C7 DT A 4 -2.151 -4.035 -3.479 1.00 0.25 C ATOM 115 C6 DT A 4 -0.400 -5.610 -2.882 1.00 0.23 C ATOM 0 H5' DT A 4 1.995 -4.250 -5.022 1.00 0.19 H new ATOM 0 H5'' DT A 4 2.892 -5.414 -5.977 1.00 0.19 H new ATOM 0 H4' DT A 4 3.810 -5.159 -3.808 1.00 0.21 H new ATOM 0 H3' DT A 4 3.591 -7.582 -4.957 1.00 0.24 H new ATOM 0 H2' DT A 4 1.427 -8.272 -4.115 1.00 0.26 H new ATOM 0 H2'' DT A 4 2.443 -8.879 -2.822 1.00 0.26 H new ATOM 0 H1' DT A 4 1.798 -7.288 -1.400 1.00 0.24 H new ATOM 0 H3 DT A 4 -2.705 -8.351 -1.943 1.00 0.30 H new ATOM 0 H71 DT A 4 -1.427 -3.269 -3.202 1.00 0.25 H new ATOM 0 H72 DT A 4 -2.226 -4.087 -4.565 1.00 0.25 H new ATOM 0 H73 DT A 4 -3.125 -3.783 -3.059 1.00 0.25 H new ATOM 0 H6 DT A 4 0.285 -4.818 -3.147 1.00 0.23 H new ATOM 128 P DT A 5 5.899 -6.720 -3.453 1.00 0.37 P ATOM 129 OP1 DT A 5 5.954 -6.416 -4.902 1.00 0.52 O ATOM 130 OP2 DT A 5 6.975 -7.510 -2.823 1.00 0.58 O ATOM 131 O5' DT A 5 5.746 -5.326 -2.647 1.00 0.26 O ATOM 132 C5' DT A 5 4.696 -5.141 -1.687 1.00 0.17 C ATOM 133 C4' DT A 5 5.235 -5.033 -0.251 1.00 0.17 C ATOM 134 O4' DT A 5 4.147 -5.046 0.673 1.00 0.19 O ATOM 135 C3' DT A 5 6.187 -6.163 0.137 1.00 0.19 C ATOM 136 O3' DT A 5 7.509 -5.632 0.256 1.00 0.22 O ATOM 137 C2' DT A 5 5.716 -6.654 1.508 1.00 0.24 C ATOM 138 C1' DT A 5 4.505 -5.791 1.846 1.00 0.19 C ATOM 139 N1 DT A 5 3.317 -6.580 2.209 1.00 0.16 N ATOM 140 C2 DT A 5 2.928 -6.666 3.542 1.00 0.18 C ATOM 141 O2 DT A 5 3.557 -6.132 4.453 1.00 0.24 O ATOM 142 N3 DT A 5 1.778 -7.404 3.781 1.00 0.18 N ATOM 143 C4 DT A 5 1.020 -8.044 2.830 1.00 0.18 C ATOM 144 O4 DT A 5 0.036 -8.698 3.155 1.00 0.24 O ATOM 145 C5 DT A 5 1.502 -7.880 1.486 1.00 0.15 C ATOM 146 C7 DT A 5 0.673 -8.383 0.329 1.00 0.16 C ATOM 147 C6 DT A 5 2.609 -7.182 1.226 1.00 0.14 C ATOM 0 H5' DT A 5 3.998 -5.976 -1.749 1.00 0.17 H new ATOM 0 H5'' DT A 5 4.137 -4.238 -1.932 1.00 0.17 H new ATOM 0 H4' DT A 5 5.794 -4.098 -0.214 1.00 0.17 H new ATOM 0 H3' DT A 5 6.193 -6.966 -0.600 1.00 0.19 H new ATOM 0 H2' DT A 5 5.451 -7.711 1.478 1.00 0.24 H new ATOM 0 H2'' DT A 5 6.500 -6.543 2.257 1.00 0.24 H new ATOM 0 H1' DT A 5 4.786 -5.167 2.694 1.00 0.19 H new ATOM 0 H3 DT A 5 1.467 -7.478 4.750 1.00 0.18 H new ATOM 0 H71 DT A 5 0.088 -9.245 0.649 1.00 0.16 H new ATOM 0 H72 DT A 5 0.002 -7.593 -0.008 1.00 0.16 H new ATOM 0 H73 DT A 5 1.330 -8.674 -0.490 1.00 0.16 H new ATOM 0 H6 DT A 5 2.949 -7.095 0.204 1.00 0.14 H new ATOM 160 P DG A 6 8.695 -6.111 -0.726 1.00 0.27 P ATOM 161 OP1 DG A 6 8.429 -5.600 -2.088 1.00 0.35 O ATOM 162 OP2 DG A 6 8.913 -7.557 -0.508 1.00 0.41 O ATOM 163 O5' DG A 6 9.966 -5.317 -0.139 1.00 0.29 O ATOM 164 C5' DG A 6 9.804 -4.036 0.475 1.00 0.24 C ATOM 165 C4' DG A 6 9.507 -2.936 -0.545 1.00 0.17 C ATOM 166 O4' DG A 6 8.245 -3.145 -1.166 1.00 0.15 O ATOM 167 C3' DG A 6 9.431 -1.551 0.061 1.00 0.15 C ATOM 168 O3' DG A 6 10.745 -0.950 0.032 1.00 0.17 O ATOM 169 C2' DG A 6 8.451 -0.810 -0.851 1.00 0.14 C ATOM 170 C1' DG A 6 7.880 -1.899 -1.749 1.00 0.13 C ATOM 171 N9 DG A 6 6.422 -1.826 -1.857 1.00 0.12 N ATOM 172 C8 DG A 6 5.635 -1.849 -2.968 1.00 0.13 C ATOM 173 N7 DG A 6 4.369 -1.678 -2.745 1.00 0.12 N ATOM 174 C5 DG A 6 4.308 -1.529 -1.365 1.00 0.11 C ATOM 175 C6 DG A 6 3.191 -1.311 -0.531 1.00 0.11 C ATOM 176 O6 DG A 6 2.017 -1.210 -0.861 1.00 0.12 O ATOM 177 N1 DG A 6 3.559 -1.215 0.802 1.00 0.11 N ATOM 178 C2 DG A 6 4.852 -1.319 1.270 1.00 0.11 C ATOM 179 N2 DG A 6 5.025 -1.189 2.576 1.00 0.12 N ATOM 180 N3 DG A 6 5.903 -1.526 0.487 1.00 0.12 N ATOM 181 C4 DG A 6 5.558 -1.620 -0.815 1.00 0.12 C ATOM 0 H5' DG A 6 10.710 -3.783 1.026 1.00 0.24 H new ATOM 0 H5'' DG A 6 8.992 -4.084 1.201 1.00 0.24 H new ATOM 0 H4' DG A 6 10.337 -2.990 -1.249 1.00 0.17 H new ATOM 0 H3' DG A 6 9.105 -1.536 1.101 1.00 0.15 H new ATOM 0 H2' DG A 6 7.667 -0.316 -0.276 1.00 0.14 H new ATOM 0 H2'' DG A 6 8.954 -0.038 -1.432 1.00 0.14 H new ATOM 0 H1' DG A 6 8.277 -1.779 -2.757 1.00 0.13 H new ATOM 0 H8 DG A 6 6.035 -1.998 -3.960 1.00 0.13 H new ATOM 0 H1 DG A 6 2.820 -1.056 1.486 1.00 0.11 H new ATOM 0 H21 DG A 6 5.961 -1.257 2.976 1.00 0.12 H new ATOM 0 H22 DG A 6 4.222 -1.021 3.182 1.00 0.12 H new ATOM 193 P DG A 7 10.991 0.575 -0.446 1.00 0.15 P ATOM 194 OP1 DG A 7 12.385 0.946 -0.113 1.00 0.22 O ATOM 195 OP2 DG A 7 9.867 1.403 0.048 1.00 0.19 O ATOM 196 O5' DG A 7 10.869 0.464 -2.058 1.00 0.17 O ATOM 197 C5' DG A 7 10.373 1.566 -2.840 1.00 0.17 C ATOM 198 C4' DG A 7 9.477 1.113 -4.001 1.00 0.16 C ATOM 199 O4' DG A 7 8.262 0.513 -3.495 1.00 0.14 O ATOM 200 C3' DG A 7 9.014 2.272 -4.874 1.00 0.17 C ATOM 201 O3' DG A 7 8.563 1.771 -6.150 1.00 0.18 O ATOM 202 C2' DG A 7 7.842 2.763 -4.054 1.00 0.16 C ATOM 203 C1' DG A 7 7.182 1.436 -3.740 1.00 0.14 C ATOM 204 N9 DG A 7 6.298 1.467 -2.573 1.00 0.13 N ATOM 205 C8 DG A 7 6.602 1.523 -1.245 1.00 0.13 C ATOM 206 N7 DG A 7 5.587 1.632 -0.454 1.00 0.13 N ATOM 207 C5 DG A 7 4.512 1.647 -1.331 1.00 0.12 C ATOM 208 C6 DG A 7 3.141 1.753 -1.058 1.00 0.13 C ATOM 209 O6 DG A 7 2.617 1.902 0.034 1.00 0.17 O ATOM 210 N1 DG A 7 2.381 1.727 -2.220 1.00 0.12 N ATOM 211 C2 DG A 7 2.895 1.618 -3.494 1.00 0.12 C ATOM 212 N2 DG A 7 2.027 1.635 -4.499 1.00 0.14 N ATOM 213 N3 DG A 7 4.195 1.518 -3.751 1.00 0.13 N ATOM 214 C4 DG A 7 4.939 1.540 -2.626 1.00 0.12 C ATOM 0 H5' DG A 7 11.215 2.133 -3.236 1.00 0.17 H new ATOM 0 H5'' DG A 7 9.811 2.240 -2.194 1.00 0.17 H new ATOM 0 H4' DG A 7 10.085 0.417 -4.579 1.00 0.16 H new ATOM 0 H3' DG A 7 9.769 3.026 -5.097 1.00 0.17 H new ATOM 0 H2' DG A 7 8.153 3.298 -3.157 1.00 0.16 H new ATOM 0 H2'' DG A 7 7.190 3.433 -4.615 1.00 0.16 H new ATOM 0 H1' DG A 7 6.542 1.153 -4.576 1.00 0.14 H new ATOM 0 H8 DG A 7 7.618 1.479 -0.881 1.00 0.13 H new ATOM 0 H1 DG A 7 1.368 1.793 -2.123 1.00 0.12 H new ATOM 0 H21 DG A 7 2.358 1.557 -5.461 1.00 0.14 H new ATOM 0 H22 DG A 7 1.029 1.726 -4.309 1.00 0.14 H new ATOM 226 P DT A 8 8.270 2.765 -7.386 1.00 0.18 P ATOM 227 OP1 DT A 8 8.329 1.982 -8.639 1.00 0.24 O ATOM 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0.16 H new ATOM 0 H4' DT A 8 4.313 4.232 -7.204 1.00 0.15 H new ATOM 0 H3' DT A 8 5.257 6.901 -6.879 1.00 0.15 H new ATOM 0 H2' DT A 8 5.241 6.873 -4.478 1.00 0.15 H new ATOM 0 H2'' DT A 8 3.524 7.113 -4.730 1.00 0.15 H new ATOM 0 H1' DT A 8 3.021 4.804 -4.537 1.00 0.14 H new ATOM 0 H3 DT A 8 3.010 4.387 -0.119 1.00 0.19 H new ATOM 0 H71 DT A 8 7.642 5.115 0.014 1.00 0.21 H new ATOM 0 H72 DT A 8 7.917 3.722 -1.059 1.00 0.21 H new ATOM 0 H73 DT A 8 8.058 5.378 -1.696 1.00 0.21 H new ATOM 0 H6 DT A 8 6.469 5.017 -3.386 1.00 0.16 H new ATOM 258 P DT A 9 1.934 5.626 -6.707 1.00 0.20 P ATOM 259 OP1 DT A 9 2.204 4.170 -6.752 1.00 0.25 O ATOM 260 OP2 DT A 9 0.828 6.188 -7.512 1.00 0.28 O ATOM 261 O5' DT A 9 1.703 6.067 -5.159 1.00 0.18 O ATOM 262 C5' DT A 9 0.754 7.093 -4.794 1.00 0.15 C ATOM 263 C4' DT A 9 1.136 7.831 -3.520 1.00 0.15 C ATOM 264 O4' DT A 9 2.362 7.336 -2.974 1.00 0.16 O ATOM 265 C3' DT A 9 1.331 9.327 -3.750 1.00 0.16 C ATOM 266 O3' DT A 9 0.244 10.056 -3.173 1.00 0.21 O 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ATOM 494 C1' DT A 16 -2.252 -3.918 7.578 1.00 0.12 C ATOM 495 N1 DT A 16 -3.562 -3.871 6.923 1.00 0.12 N ATOM 496 C2 DT A 16 -3.913 -4.948 6.152 1.00 0.13 C ATOM 497 O2 DT A 16 -3.334 -6.006 6.231 1.00 0.17 O ATOM 498 N3 DT A 16 -5.076 -4.841 5.451 1.00 0.14 N ATOM 499 C4 DT A 16 -5.955 -3.774 5.494 1.00 0.15 C ATOM 500 O4 DT A 16 -6.995 -3.794 4.843 1.00 0.19 O ATOM 501 C5 DT A 16 -5.524 -2.700 6.368 1.00 0.15 C ATOM 502 C7 DT A 16 -6.430 -1.493 6.603 1.00 0.19 C ATOM 503 C6 DT A 16 -4.354 -2.784 7.029 1.00 0.13 C ATOM 0 H5' DT A 16 0.755 -6.700 6.229 1.00 0.14 H new ATOM 0 H5'' DT A 16 -0.252 -7.624 7.326 1.00 0.14 H new ATOM 0 H4' DT A 16 0.440 -5.064 7.673 1.00 0.13 H new ATOM 0 H3' DT A 16 -1.662 -6.739 8.849 1.00 0.14 H new ATOM 0 H2' DT A 16 -3.309 -5.084 9.062 1.00 0.14 H new ATOM 0 H2'' DT A 16 -2.131 -3.976 9.737 1.00 0.14 H new ATOM 0 H1' DT A 16 -1.908 -2.903 7.776 1.00 0.12 H new ATOM 0 H3 DT A 16 -5.321 -5.619 4.838 1.00 0.14 H new ATOM 0 H71 DT A 16 -6.249 -1.091 7.600 1.00 0.19 H new ATOM 0 H72 DT A 16 -6.216 -0.727 5.858 1.00 0.19 H new ATOM 0 H73 DT A 16 -7.473 -1.799 6.519 1.00 0.19 H new ATOM 0 H6 DT A 16 -4.043 -1.963 7.658 1.00 0.13 H new ATOM 516 P DG A 17 0.663 -4.307 10.025 1.00 0.21 P ATOM 517 OP1 DG A 17 1.863 -4.556 9.195 1.00 0.29 O ATOM 518 OP2 DG A 17 0.814 -4.001 11.467 1.00 0.35 O ATOM 519 O5' DG A 17 -0.184 -3.109 9.343 1.00 0.17 O ATOM 520 C5' DG A 17 0.487 -2.049 8.653 1.00 0.14 C ATOM 521 C4' DG A 17 1.366 -1.243 9.593 1.00 0.15 C ATOM 522 O4' DG A 17 2.649 -1.220 9.037 1.00 0.15 O ATOM 523 C3' DG A 17 0.961 0.214 9.808 1.00 0.18 C ATOM 524 O3' DG A 17 1.455 0.696 11.072 1.00 0.22 O ATOM 525 C2' DG A 17 1.676 0.943 8.693 1.00 0.15 C ATOM 526 C1' DG A 17 2.724 -0.071 8.219 1.00 0.14 C ATOM 527 N9 DG A 17 2.591 -0.469 6.820 1.00 0.13 N ATOM 528 C8 DG A 17 3.598 -0.735 5.977 1.00 0.13 C ATOM 529 N7 DG A 17 3.286 -0.835 4.737 1.00 0.12 N ATOM 530 C5 DG A 17 1.922 -0.640 4.744 1.00 0.11 C ATOM 531 C6 DG A 17 1.028 -0.647 3.665 1.00 0.11 C ATOM 532 O6 DG A 17 1.297 -0.776 2.474 1.00 0.13 O ATOM 533 N1 DG A 17 -0.276 -0.437 4.083 1.00 0.11 N ATOM 534 C2 DG A 17 -0.662 -0.237 5.405 1.00 0.12 C ATOM 535 N2 DG A 17 -1.964 -0.106 5.655 1.00 0.13 N ATOM 536 N3 DG A 17 0.198 -0.213 6.423 1.00 0.13 N ATOM 537 C4 DG A 17 1.469 -0.425 6.021 1.00 0.12 C ATOM 0 H5' DG A 17 -0.249 -1.393 8.188 1.00 0.14 H new ATOM 0 H5'' DG A 17 1.096 -2.464 7.850 1.00 0.14 H new ATOM 0 H4' DG A 17 1.285 -1.731 10.564 1.00 0.15 H new ATOM 0 H3' DG A 17 -0.120 0.351 9.809 1.00 0.18 H new ATOM 0 H2' DG A 17 0.992 1.219 7.890 1.00 0.15 H new ATOM 0 H2'' DG A 17 2.139 1.864 9.047 1.00 0.15 H new ATOM 0 H1' DG A 17 3.691 0.425 8.300 1.00 0.14 H new ATOM 0 H8 DG A 17 4.614 -0.858 6.322 1.00 0.13 H new ATOM 0 H1 DG A 17 -1.006 -0.428 3.370 1.00 0.11 H new ATOM 0 H21 DG A 17 -2.287 0.042 6.611 1.00 0.13 H new ATOM 0 H22 DG A 17 -2.637 -0.154 4.890 1.00 0.13 H new ATOM 549 P DG A 18 2.956 0.385 11.605 1.00 0.25 P ATOM 550 OP1 DG A 18 3.112 -1.081 11.726 1.00 0.31 O ATOM 551 OP2 DG A 18 3.197 1.240 12.789 1.00 0.37 O ATOM 552 O5' DG A 18 3.927 0.904 10.419 1.00 0.21 O ATOM 553 C5' DG A 18 5.250 0.356 10.280 1.00 0.28 C ATOM 554 C4' DG A 18 6.109 1.138 9.281 1.00 0.29 C ATOM 555 O4' DG A 18 5.592 0.974 7.947 1.00 0.24 O ATOM 556 C3' DG A 18 6.178 2.646 9.560 1.00 0.35 C ATOM 557 O3' DG A 18 7.525 3.126 9.488 1.00 0.47 O ATOM 558 C2' DG A 18 5.323 3.235 8.450 1.00 0.26 C ATOM 559 C1' DG A 18 5.575 2.255 7.322 1.00 0.19 C ATOM 560 N9 DG A 18 4.526 2.261 6.292 1.00 0.13 N ATOM 561 C8 DG A 18 3.186 2.416 6.466 1.00 0.14 C ATOM 562 N7 DG A 18 2.491 2.407 5.385 1.00 0.14 N ATOM 563 C5 DG A 18 3.432 2.229 4.386 1.00 0.12 C ATOM 564 C6 DG A 18 3.241 2.140 2.986 1.00 0.12 C ATOM 565 O6 DG A 18 2.183 2.208 2.371 1.00 0.14 O ATOM 566 N1 DG A 18 4.444 1.957 2.313 1.00 0.12 N ATOM 567 C2 DG A 18 5.679 1.875 2.931 1.00 0.12 C ATOM 568 N2 DG A 18 6.723 1.699 2.129 1.00 0.15 N ATOM 569 N3 DG A 18 5.860 1.961 4.260 1.00 0.13 N ATOM 570 C4 DG A 18 4.693 2.137 4.924 1.00 0.12 C ATOM 0 H5' DG A 18 5.177 -0.682 9.956 1.00 0.28 H new ATOM 0 H5'' DG A 18 5.742 0.353 11.253 1.00 0.28 H new ATOM 0 H4' DG A 18 7.113 0.727 9.387 1.00 0.29 H new ATOM 0 H3' DG A 18 5.832 2.915 10.558 1.00 0.35 H new ATOM 0 H2' DG A 18 4.269 3.282 8.725 1.00 0.26 H new ATOM 0 H2'' DG A 18 5.630 4.248 8.190 1.00 0.26 H new ATOM 0 HO3' DG A 18 7.539 4.089 9.668 1.00 0.47 H new ATOM 0 H1' DG A 18 6.499 2.519 6.808 1.00 0.19 H new ATOM 0 H8 DG A 18 2.739 2.538 7.441 1.00 0.14 H new ATOM 0 H1 DG A 18 4.414 1.878 1.297 1.00 0.12 H new ATOM 0 H21 DG A 18 7.662 1.630 2.522 1.00 0.15 H new ATOM 0 H22 DG A 18 6.586 1.632 1.120 1.00 0.15 H new TER 582 DG A 18