USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 196 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 3 DT C7 :methyl -30:sc= -0.175 (180deg=-1.24) USER MOD Single : A 4 DT C7 :methyl 150:sc= -2.37! (180deg=-2.37!) USER MOD Single : A 5 DT C7 :methyl -30:sc= -6.24! (180deg=-6.34!) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.25) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl -30:sc= -13.6! (180deg=-19.9!) USER MOD Single : A 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DT C7 :methyl -30:sc= -0.398 (180deg=-1.94!) USER MOD Single : A 17 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.075 -2.434 -9.302 1.00 0.42 O ATOM 2 C5' DG A 1 0.118 -2.660 -8.264 1.00 0.32 C ATOM 3 C4' DG A 1 -1.309 -2.456 -8.764 1.00 0.26 C ATOM 4 O4' DG A 1 -2.223 -2.868 -7.743 1.00 0.27 O ATOM 5 C3' DG A 1 -1.648 -1.008 -9.098 1.00 0.23 C ATOM 6 O3' DG A 1 -2.688 -0.968 -10.091 1.00 0.26 O ATOM 7 C2' DG A 1 -2.167 -0.483 -7.771 1.00 0.23 C ATOM 8 C1' DG A 1 -2.864 -1.710 -7.193 1.00 0.23 C ATOM 9 N9 DG A 1 -2.788 -1.806 -5.726 1.00 0.22 N ATOM 10 C8 DG A 1 -3.801 -1.880 -4.820 1.00 0.23 C ATOM 11 N7 DG A 1 -3.433 -1.900 -3.575 1.00 0.21 N ATOM 12 C5 DG A 1 -2.045 -1.836 -3.658 1.00 0.19 C ATOM 13 C6 DG A 1 -1.075 -1.823 -2.625 1.00 0.19 C ATOM 14 O6 DG A 1 -1.255 -1.846 -1.416 1.00 0.22 O ATOM 15 N1 DG A 1 0.211 -1.755 -3.136 1.00 0.19 N ATOM 16 C2 DG A 1 0.525 -1.708 -4.478 1.00 0.21 C ATOM 17 N2 DG A 1 1.816 -1.655 -4.785 1.00 0.23 N ATOM 18 N3 DG A 1 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36 C4' DG A 2 -6.049 0.924 -7.967 1.00 0.24 C ATOM 37 O4' DG A 2 -5.206 0.628 -6.840 1.00 0.25 O ATOM 38 C3' DG A 2 -6.234 2.448 -8.002 1.00 0.23 C ATOM 39 O3' DG A 2 -7.511 2.784 -7.438 1.00 0.27 O ATOM 40 C2' DG A 2 -5.121 2.947 -7.098 1.00 0.21 C ATOM 41 C1' DG A 2 -5.055 1.826 -6.091 1.00 0.21 C ATOM 42 N9 DG A 2 -3.801 1.761 -5.325 1.00 0.21 N ATOM 43 C8 DG A 2 -2.508 1.892 -5.745 1.00 0.20 C ATOM 44 N7 DG A 2 -1.616 1.863 -4.799 1.00 0.19 N ATOM 45 C5 DG A 2 -2.386 1.696 -3.650 1.00 0.18 C ATOM 46 C6 DG A 2 -1.987 1.596 -2.297 1.00 0.17 C ATOM 47 O6 DG A 2 -0.852 1.662 -1.834 1.00 0.21 O ATOM 48 N1 DG A 2 -3.079 1.434 -1.457 1.00 0.18 N ATOM 49 C2 DG A 2 -4.393 1.374 -1.866 1.00 0.19 C ATOM 50 N2 DG A 2 -5.306 1.206 -0.911 1.00 0.21 N ATOM 51 N3 DG A 2 -4.771 1.469 -3.138 1.00 0.20 N ATOM 52 C4 DG A 2 -3.720 1.628 -3.969 1.00 0.19 C ATOM 0 H5' DG A 2 -5.272 -0.718 -9.119 1.00 0.27 H new ATOM 0 H5'' DG A 2 -6.103 0.493 -10.074 1.00 0.27 H new ATOM 0 H4' DG A 2 -7.032 0.461 -7.888 1.00 0.24 H new ATOM 0 H3' DG A 2 -6.199 2.874 -9.005 1.00 0.23 H new ATOM 0 H2' DG A 2 -4.181 3.078 -7.633 1.00 0.21 H new ATOM 0 H2'' DG A 2 -5.361 3.905 -6.636 1.00 0.21 H new ATOM 0 H1' DG A 2 -5.833 1.986 -5.345 1.00 0.21 H new ATOM 0 H8 DG A 2 -2.246 2.011 -6.786 1.00 0.20 H new ATOM 0 H1 DG A 2 -2.894 1.353 -0.457 1.00 0.18 H new ATOM 0 H21 DG A 2 -6.295 1.154 -1.155 1.00 0.21 H new ATOM 0 H22 DG A 2 -5.016 1.129 0.064 1.00 0.21 H new ATOM 64 P DT A 3 -7.965 4.319 -7.235 1.00 0.30 P ATOM 65 OP1 DT A 3 -9.426 4.340 -7.012 1.00 0.35 O ATOM 66 OP2 DT A 3 -7.372 5.131 -8.322 1.00 0.36 O ATOM 67 O5' DT A 3 -7.244 4.727 -5.854 1.00 0.33 O ATOM 68 C5' DT A 3 -7.740 5.830 -5.092 1.00 0.42 C ATOM 69 C4' DT A 3 -6.740 6.312 -4.043 1.00 0.38 C ATOM 70 O4' DT A 3 -5.480 6.597 -4.658 1.00 0.37 O ATOM 71 C3' DT A 3 -7.191 7.577 -3.330 1.00 0.48 C ATOM 72 O3' DT A 3 -6.746 7.534 -1.973 1.00 0.49 O ATOM 73 C2' DT A 3 -6.476 8.697 -4.090 1.00 0.52 C ATOM 74 C1' DT A 3 -5.217 8.005 -4.603 1.00 0.46 C ATOM 75 N1 DT A 3 -4.814 8.422 -5.961 1.00 0.51 N ATOM 76 C2 DT A 3 -3.834 9.389 -6.068 1.00 0.70 C ATOM 77 O2 DT A 3 -3.316 9.910 -5.087 1.00 0.80 O ATOM 78 N3 DT A 3 -3.470 9.742 -7.349 1.00 0.79 N ATOM 79 C4 DT A 3 -3.990 9.223 -8.518 1.00 0.73 C ATOM 80 O4 DT A 3 -3.585 9.615 -9.609 1.00 0.85 O ATOM 81 C5 DT A 3 -5.009 8.218 -8.312 1.00 0.55 C ATOM 82 C7 DT A 3 -5.670 7.554 -9.519 1.00 0.56 C ATOM 83 C6 DT A 3 -5.384 7.855 -7.070 1.00 0.46 C ATOM 0 H5' DT A 3 -8.667 5.539 -4.599 1.00 0.42 H new ATOM 0 H5'' DT A 3 -7.981 6.653 -5.765 1.00 0.42 H new ATOM 0 H4' DT A 3 -6.660 5.506 -3.313 1.00 0.38 H new ATOM 0 H3' DT A 3 -8.273 7.708 -3.314 1.00 0.48 H new ATOM 0 H2' DT A 3 -7.085 9.085 -4.906 1.00 0.52 H new ATOM 0 H2'' DT A 3 -6.239 9.539 -3.440 1.00 0.52 H new ATOM 0 H1' DT A 3 -4.410 8.275 -3.921 1.00 0.46 H new ATOM 0 H3 DT A 3 -2.747 10.455 -7.443 1.00 0.79 H new ATOM 0 H71 DT A 3 -5.686 8.253 -10.355 1.00 0.56 H new ATOM 0 H72 DT A 3 -5.105 6.665 -9.800 1.00 0.56 H new ATOM 0 H73 DT A 3 -6.691 7.270 -9.264 1.00 0.56 H new ATOM 0 H6 DT A 3 -6.149 7.102 -6.946 1.00 0.46 H new ATOM 96 P DT A 4 -7.361 6.446 -0.958 1.00 0.49 P ATOM 97 OP1 DT A 4 -8.805 6.298 -1.253 1.00 0.58 O ATOM 98 OP2 DT A 4 -6.921 6.792 0.409 1.00 0.55 O ATOM 99 O5' DT A 4 -6.613 5.088 -1.407 1.00 0.42 O ATOM 100 C5' DT A 4 -6.172 4.134 -0.431 1.00 0.41 C ATOM 101 C4' DT A 4 -4.698 4.327 -0.072 1.00 0.29 C ATOM 102 O4' DT A 4 -3.866 3.993 -1.193 1.00 0.25 O ATOM 103 C3' DT A 4 -4.353 5.771 0.322 1.00 0.23 C ATOM 104 O3' DT A 4 -3.789 5.791 1.635 1.00 0.28 O ATOM 105 C2' DT A 4 -3.285 6.177 -0.697 1.00 0.19 C ATOM 106 C1' DT A 4 -2.725 4.824 -1.093 1.00 0.20 C ATOM 107 N1 DT A 4 -2.000 4.834 -2.376 1.00 0.20 N ATOM 108 C2 DT A 4 -0.604 4.833 -2.340 1.00 0.20 C ATOM 109 O2 DT A 4 0.069 4.730 -1.292 1.00 0.23 O ATOM 110 N3 DT A 4 0.014 4.954 -3.559 1.00 0.21 N ATOM 111 C4 DT A 4 -0.593 5.071 -4.788 1.00 0.24 C ATOM 112 O4 DT A 4 0.081 5.165 -5.808 1.00 0.28 O ATOM 113 C5 DT A 4 -2.033 5.060 -4.734 1.00 0.23 C ATOM 114 C7 DT A 4 -2.831 5.223 -6.021 1.00 0.28 C ATOM 115 C6 DT A 4 -2.682 4.938 -3.560 1.00 0.21 C ATOM 0 H5' DT A 4 -6.323 3.125 -0.815 1.00 0.41 H new ATOM 0 H5'' DT A 4 -6.780 4.227 0.469 1.00 0.41 H new ATOM 0 H4' DT A 4 -4.519 3.673 0.782 1.00 0.29 H new ATOM 0 H3' DT A 4 -5.220 6.431 0.325 1.00 0.23 H new ATOM 0 H2' DT A 4 -3.709 6.711 -1.547 1.00 0.19 H new ATOM 0 H2'' DT A 4 -2.525 6.825 -0.260 1.00 0.19 H new ATOM 0 H1' DT A 4 -1.990 4.489 -0.361 1.00 0.20 H new ATOM 0 H3 DT A 4 1.034 4.958 -3.553 1.00 0.21 H new ATOM 0 H71 DT A 4 -3.778 4.691 -5.932 1.00 0.28 H new ATOM 0 H72 DT A 4 -3.024 6.281 -6.198 1.00 0.28 H new ATOM 0 H73 DT A 4 -2.262 4.814 -6.856 1.00 0.28 H new ATOM 0 H6 DT A 4 -3.762 4.922 -3.552 1.00 0.21 H new ATOM 128 P DT A 5 -4.033 7.057 2.605 1.00 0.35 P ATOM 129 OP1 DT A 5 -5.481 7.351 2.632 1.00 0.47 O ATOM 130 OP2 DT A 5 -3.070 8.120 2.240 1.00 0.51 O ATOM 131 O5' DT A 5 -3.613 6.481 4.046 1.00 0.39 O ATOM 132 C5' DT A 5 -3.973 5.152 4.432 1.00 0.38 C ATOM 133 C4' DT A 5 -2.737 4.295 4.678 1.00 0.28 C ATOM 134 O4' DT A 5 -1.828 4.437 3.574 1.00 0.27 O ATOM 135 C3' DT A 5 -1.968 4.660 5.952 1.00 0.27 C ATOM 136 O3' DT A 5 -1.703 3.454 6.681 1.00 0.30 O ATOM 137 C2' DT A 5 -0.642 5.258 5.424 1.00 0.27 C ATOM 138 C1' DT A 5 -0.506 4.570 4.093 1.00 0.23 C ATOM 139 N1 DT A 5 0.314 5.317 3.125 1.00 0.19 N ATOM 140 C2 DT A 5 1.686 5.226 3.252 1.00 0.20 C ATOM 141 O2 DT A 5 2.222 4.590 4.155 1.00 0.25 O ATOM 142 N3 DT A 5 2.427 5.898 2.305 1.00 0.19 N ATOM 143 C4 DT A 5 1.929 6.644 1.262 1.00 0.19 C ATOM 144 O4 DT A 5 2.688 7.206 0.477 1.00 0.23 O ATOM 145 C5 DT A 5 0.492 6.684 1.206 1.00 0.18 C ATOM 146 C7 DT A 5 -0.180 7.396 0.048 1.00 0.20 C ATOM 147 C6 DT A 5 -0.260 6.042 2.124 1.00 0.19 C ATOM 0 H5' DT A 5 -4.585 4.697 3.653 1.00 0.38 H new ATOM 0 H5'' DT A 5 -4.581 5.185 5.336 1.00 0.38 H new ATOM 0 H4' DT A 5 -3.104 3.275 4.789 1.00 0.28 H new ATOM 0 H3' DT A 5 -2.502 5.346 6.610 1.00 0.27 H new ATOM 0 H2' DT A 5 -0.694 6.342 5.321 1.00 0.27 H new ATOM 0 H2'' DT A 5 0.197 5.040 6.085 1.00 0.27 H new ATOM 0 H1' DT A 5 -0.002 3.615 4.243 1.00 0.23 H new ATOM 0 H3 DT A 5 3.442 5.837 2.385 1.00 0.19 H new ATOM 0 H71 DT A 5 0.458 8.209 -0.299 1.00 0.20 H new ATOM 0 H72 DT A 5 -0.345 6.691 -0.766 1.00 0.20 H new ATOM 0 H73 DT A 5 -1.137 7.801 0.376 1.00 0.20 H new ATOM 0 H6 DT A 5 -1.337 6.104 2.064 1.00 0.19 H new ATOM 160 P DG A 6 -2.719 2.934 7.823 1.00 0.31 P ATOM 161 OP1 DG A 6 -2.596 3.831 8.995 1.00 0.39 O ATOM 162 OP2 DG A 6 -2.506 1.480 7.987 1.00 0.39 O ATOM 163 O5' DG A 6 -4.168 3.159 7.150 1.00 0.34 O ATOM 164 C5' DG A 6 -5.356 3.260 7.952 1.00 0.35 C ATOM 165 C4' DG A 6 -6.380 2.181 7.589 1.00 0.29 C ATOM 166 O4' DG A 6 -6.513 2.118 6.159 1.00 0.28 O ATOM 167 C3' DG A 6 -6.011 0.778 8.076 1.00 0.25 C ATOM 168 O3' DG A 6 -7.201 0.086 8.474 1.00 0.29 O ATOM 169 C2' DG A 6 -5.423 0.121 6.826 1.00 0.22 C ATOM 170 C1' DG A 6 -6.225 0.786 5.718 1.00 0.21 C ATOM 171 N9 DG A 6 -5.523 0.877 4.424 1.00 0.19 N ATOM 172 C8 DG A 6 -6.049 0.918 3.166 1.00 0.23 C ATOM 173 N7 DG A 6 -5.178 1.004 2.202 1.00 0.23 N ATOM 174 C5 DG A 6 -3.960 1.019 2.887 1.00 0.19 C ATOM 175 C6 DG A 6 -2.637 1.099 2.392 1.00 0.20 C ATOM 176 O6 DG A 6 -2.273 1.194 1.230 1.00 0.27 O ATOM 177 N1 DG A 6 -1.705 1.081 3.415 1.00 0.20 N ATOM 178 C2 DG A 6 -2.001 1.000 4.754 1.00 0.18 C ATOM 179 N2 DG A 6 -0.972 0.988 5.600 1.00 0.20 N ATOM 180 N3 DG A 6 -3.235 0.928 5.220 1.00 0.18 N ATOM 181 C4 DG A 6 -4.165 0.941 4.241 1.00 0.17 C ATOM 0 H5' DG A 6 -5.803 4.245 7.818 1.00 0.35 H new ATOM 0 H5'' DG A 6 -5.092 3.171 9.006 1.00 0.35 H new ATOM 0 H4' DG A 6 -7.305 2.471 8.087 1.00 0.29 H new ATOM 0 H3' DG A 6 -5.329 0.774 8.927 1.00 0.25 H new ATOM 0 H2' DG A 6 -4.354 0.312 6.728 1.00 0.22 H new ATOM 0 H2'' DG A 6 -5.554 -0.961 6.833 1.00 0.22 H new ATOM 0 H1' DG A 6 -7.110 0.174 5.542 1.00 0.21 H new ATOM 0 H8 DG A 6 -7.113 0.882 2.983 1.00 0.23 H new ATOM 0 H1 DG A 6 -0.720 1.132 3.154 1.00 0.20 H new ATOM 0 H21 DG A 6 -1.138 0.929 6.605 1.00 0.20 H new ATOM 0 H22 DG A 6 -0.018 1.038 5.243 1.00 0.20 H new ATOM 193 P DG A 7 -7.255 -1.527 8.498 1.00 0.31 P ATOM 194 OP1 DG A 7 -8.368 -1.932 9.378 1.00 0.44 O ATOM 195 OP2 DG A 7 -5.889 -2.037 8.762 1.00 0.35 O ATOM 196 O5' DG A 7 -7.656 -1.883 6.976 1.00 0.31 O ATOM 197 C5' DG A 7 -8.938 -1.502 6.464 1.00 0.30 C ATOM 198 C4' DG A 7 -9.047 -1.690 4.953 1.00 0.27 C ATOM 199 O4' DG A 7 -7.830 -1.271 4.303 1.00 0.24 O ATOM 200 C3' DG A 7 -9.286 -3.139 4.544 1.00 0.24 C ATOM 201 O3' DG A 7 -10.112 -3.166 3.372 1.00 0.27 O ATOM 202 C2' DG A 7 -7.884 -3.606 4.200 1.00 0.20 C ATOM 203 C1' DG A 7 -7.343 -2.373 3.530 1.00 0.19 C ATOM 204 N9 DG A 7 -5.884 -2.314 3.497 1.00 0.18 N ATOM 205 C8 DG A 7 -5.008 -2.393 4.528 1.00 0.19 C ATOM 206 N7 DG A 7 -3.762 -2.325 4.198 1.00 0.18 N ATOM 207 C5 DG A 7 -3.812 -2.193 2.821 1.00 0.16 C ATOM 208 C6 DG A 7 -2.757 -2.076 1.903 1.00 0.16 C ATOM 209 O6 DG A 7 -1.561 -2.055 2.149 1.00 0.20 O ATOM 210 N1 DG A 7 -3.221 -1.968 0.603 1.00 0.17 N ATOM 211 C2 DG A 7 -4.552 -1.971 0.239 1.00 0.17 C ATOM 212 N2 DG A 7 -4.820 -1.898 -1.060 1.00 0.20 N ATOM 213 N3 DG A 7 -5.553 -2.078 1.112 1.00 0.17 N ATOM 214 C4 DG A 7 -5.108 -2.185 2.380 1.00 0.16 C ATOM 0 H5' DG A 7 -9.128 -0.457 6.711 1.00 0.30 H new ATOM 0 H5'' DG A 7 -9.711 -2.091 6.956 1.00 0.30 H new ATOM 0 H4' DG A 7 -9.901 -1.086 4.648 1.00 0.27 H new ATOM 0 H3' DG A 7 -9.779 -3.748 5.302 1.00 0.24 H new ATOM 0 H2' DG A 7 -7.310 -3.883 5.084 1.00 0.20 H new ATOM 0 H2'' DG A 7 -7.886 -4.471 3.537 1.00 0.20 H new ATOM 0 H1' DG A 7 -7.666 -2.363 2.489 1.00 0.19 H new ATOM 0 H8 DG A 7 -5.330 -2.505 5.553 1.00 0.19 H new ATOM 0 H1 DG A 7 -2.528 -1.880 -0.140 1.00 0.17 H new ATOM 0 H21 DG A 7 -5.788 -1.897 -1.382 1.00 0.20 H new ATOM 0 H22 DG A 7 -4.058 -1.843 -1.736 1.00 0.20 H new ATOM 226 P DT A 8 -10.730 -4.549 2.829 1.00 0.29 P ATOM 227 OP1 DT A 8 -11.559 -4.247 1.641 1.00 0.37 O ATOM 228 OP2 DT A 8 -11.327 -5.268 3.980 1.00 0.34 O ATOM 229 O5' DT A 8 -9.422 -5.359 2.349 1.00 0.26 O ATOM 230 C5' DT A 8 -8.843 -5.118 1.063 1.00 0.29 C ATOM 231 C4' DT A 8 -7.460 -5.773 0.929 1.00 0.28 C ATOM 232 O4' DT A 8 -6.513 -5.135 1.785 1.00 0.27 O ATOM 233 C3' DT A 8 -7.415 -7.235 1.351 1.00 0.29 C ATOM 234 O3' DT A 8 -7.820 -8.118 0.276 1.00 0.32 O ATOM 235 C2' DT A 8 -5.937 -7.452 1.711 1.00 0.29 C ATOM 236 C1' DT A 8 -5.399 -6.028 1.879 1.00 0.28 C ATOM 237 N1 DT A 8 -4.680 -5.799 3.150 1.00 0.31 N ATOM 238 C2 DT A 8 -3.306 -5.677 3.060 1.00 0.35 C ATOM 239 O2 DT A 8 -2.710 -5.734 1.990 1.00 0.41 O ATOM 240 N3 DT A 8 -2.635 -5.483 4.243 1.00 0.39 N ATOM 241 C4 DT A 8 -3.203 -5.402 5.496 1.00 0.40 C ATOM 242 O4 DT A 8 -2.498 -5.228 6.485 1.00 0.46 O ATOM 243 C5 DT A 8 -4.642 -5.539 5.505 1.00 0.37 C ATOM 244 C7 DT A 8 -5.397 -5.464 6.829 1.00 0.44 C ATOM 245 C6 DT A 8 -5.328 -5.731 4.360 1.00 0.32 C ATOM 0 H5' DT A 8 -8.754 -4.044 0.900 1.00 0.29 H new ATOM 0 H5'' DT A 8 -9.505 -5.504 0.288 1.00 0.29 H new ATOM 0 H4' DT A 8 -7.232 -5.677 -0.133 1.00 0.28 H new ATOM 0 H3' DT A 8 -8.098 -7.454 2.172 1.00 0.29 H new ATOM 0 H2' DT A 8 -5.828 -8.033 2.627 1.00 0.29 H new ATOM 0 H2'' DT A 8 -5.407 -7.991 0.926 1.00 0.29 H new ATOM 0 H1' DT A 8 -4.662 -5.855 1.095 1.00 0.28 H new ATOM 0 H3 DT A 8 -1.621 -5.390 4.189 1.00 0.39 H new ATOM 0 H71 DT A 8 -4.760 -5.833 7.633 1.00 0.44 H new ATOM 0 H72 DT A 8 -5.675 -4.430 7.031 1.00 0.44 H new ATOM 0 H73 DT A 8 -6.297 -6.076 6.770 1.00 0.44 H new ATOM 0 H6 DT A 8 -6.403 -5.833 4.394 1.00 0.32 H new ATOM 258 P DT A 9 -7.249 -8.020 -1.239 1.00 0.28 P ATOM 259 OP1 DT A 9 -7.140 -6.595 -1.608 1.00 0.29 O ATOM 260 OP2 DT A 9 -8.052 -8.933 -2.085 1.00 0.32 O ATOM 261 O5' DT A 9 -5.767 -8.640 -1.122 1.00 0.27 O ATOM 262 C5' DT A 9 -4.646 -8.025 -1.774 1.00 0.24 C ATOM 263 C4' DT A 9 -3.334 -8.481 -1.159 1.00 0.21 C ATOM 264 O4' DT A 9 -3.305 -8.141 0.222 1.00 0.23 O ATOM 265 C3' DT A 9 -3.076 -9.988 -1.256 1.00 0.23 C ATOM 266 O3' DT A 9 -2.048 -10.206 -2.235 1.00 0.29 O ATOM 267 C2' DT A 9 -2.567 -10.383 0.148 1.00 0.25 C ATOM 268 C1' DT A 9 -2.426 -9.047 0.872 1.00 0.24 C ATOM 269 N1 DT A 9 -2.809 -9.109 2.290 1.00 0.29 N ATOM 270 C2 DT A 9 -2.007 -8.472 3.218 1.00 0.33 C ATOM 271 O2 DT A 9 -0.986 -7.866 2.907 1.00 0.35 O ATOM 272 N3 DT A 9 -2.414 -8.566 4.531 1.00 0.41 N ATOM 273 C4 DT A 9 -3.534 -9.230 4.991 1.00 0.45 C ATOM 274 O4 DT A 9 -3.794 -9.256 6.191 1.00 0.55 O ATOM 275 C5 DT A 9 -4.311 -9.864 3.948 1.00 0.39 C ATOM 276 C7 DT A 9 -5.587 -10.619 4.308 1.00 0.45 C ATOM 277 C6 DT A 9 -3.930 -9.785 2.659 1.00 0.31 C ATOM 0 H5' DT A 9 -4.728 -6.941 -1.699 1.00 0.24 H new ATOM 0 H5'' DT A 9 -4.659 -8.273 -2.835 1.00 0.24 H new ATOM 0 H4' DT A 9 -2.561 -7.972 -1.735 1.00 0.21 H new ATOM 0 H3' DT A 9 -3.954 -10.565 -1.547 1.00 0.23 H new ATOM 0 H2' DT A 9 -3.270 -11.042 0.658 1.00 0.25 H new ATOM 0 H2'' DT A 9 -1.615 -10.912 0.095 1.00 0.25 H new ATOM 0 H1' DT A 9 -1.379 -8.746 0.837 1.00 0.24 H new ATOM 0 H3 DT A 9 -1.833 -8.101 5.229 1.00 0.41 H new ATOM 0 H71 DT A 9 -6.289 -10.565 3.476 1.00 0.45 H new ATOM 0 H72 DT A 9 -5.347 -11.662 4.513 1.00 0.45 H new ATOM 0 H73 DT A 9 -6.038 -10.170 5.193 1.00 0.45 H new ATOM 0 H6 DT A 9 -4.528 -10.269 1.901 1.00 0.31 H new ATOM 290 P DT A 10 -2.351 -9.982 -3.810 1.00 0.34 P ATOM 291 OP1 DT A 10 -3.705 -10.507 -4.095 1.00 0.39 O ATOM 292 OP2 DT A 10 -1.191 -10.488 -4.579 1.00 0.40 O ATOM 293 O5' DT A 10 -2.397 -8.366 -3.960 1.00 0.30 O ATOM 294 C5' DT A 10 -1.637 -7.694 -4.982 1.00 0.32 C ATOM 295 C4' DT A 10 -0.398 -7.001 -4.408 1.00 0.30 C ATOM 296 O4' DT A 10 -0.652 -5.613 -4.162 1.00 0.30 O ATOM 297 C3' DT A 10 0.084 -7.620 -3.108 1.00 0.28 C ATOM 298 O3' DT A 10 1.503 -7.865 -3.182 1.00 0.34 O ATOM 299 C2' DT A 10 -0.252 -6.595 -2.013 1.00 0.22 C ATOM 300 C1' DT A 10 -0.821 -5.386 -2.759 1.00 0.26 C ATOM 301 N1 DT A 10 -2.275 -5.136 -2.528 1.00 0.25 N ATOM 302 C2 DT A 10 -2.684 -4.856 -1.232 1.00 0.26 C ATOM 303 O2 DT A 10 -1.896 -4.800 -0.294 1.00 0.28 O ATOM 304 N3 DT A 10 -4.033 -4.607 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0.38 P ATOM 323 OP1 DT A 11 1.981 -5.504 -3.940 1.00 0.42 O ATOM 324 OP2 DT A 11 3.843 -7.256 -3.831 1.00 0.53 O ATOM 325 O5' DT A 11 2.847 -6.333 -1.731 1.00 0.32 O ATOM 326 C5' DT A 11 2.725 -4.996 -1.246 1.00 0.33 C ATOM 327 C4' DT A 11 3.140 -4.900 0.223 1.00 0.31 C ATOM 328 O4' DT A 11 2.077 -5.397 1.046 1.00 0.33 O ATOM 329 C3' DT A 11 4.405 -5.680 0.573 1.00 0.25 C ATOM 330 O3' DT A 11 5.520 -4.764 0.631 1.00 0.30 O ATOM 331 C2' DT A 11 4.116 -6.247 1.967 1.00 0.30 C ATOM 332 C1' DT A 11 2.600 -6.245 2.076 1.00 0.32 C ATOM 333 N1 DT A 11 1.988 -7.576 1.925 1.00 0.29 N ATOM 334 C2 DT A 11 1.904 -8.384 3.041 1.00 0.38 C ATOM 335 O2 DT A 11 2.340 -8.042 4.137 1.00 0.47 O ATOM 336 N3 DT A 11 1.298 -9.611 2.855 1.00 0.40 N ATOM 337 C4 DT A 11 0.775 -10.088 1.669 1.00 0.34 C ATOM 338 O4 DT A 11 0.249 -11.197 1.624 1.00 0.42 O ATOM 339 C5 DT A 11 0.908 -9.171 0.555 1.00 0.25 C ATOM 340 C7 DT A 11 0.331 -9.547 -0.810 1.00 0.25 C ATOM 341 C6 DT A 11 1.504 -7.970 0.720 1.00 0.23 C ATOM 0 H5' DT A 11 1.695 -4.658 -1.358 1.00 0.33 H new ATOM 0 H5'' DT A 11 3.346 -4.331 -1.846 1.00 0.33 H new ATOM 0 H4' DT A 11 3.351 -3.846 0.403 1.00 0.31 H new ATOM 0 H3' DT A 11 4.651 -6.458 -0.150 1.00 0.25 H new ATOM 0 H2' DT A 11 4.520 -7.253 2.077 1.00 0.30 H new ATOM 0 H2'' DT A 11 4.570 -5.634 2.746 1.00 0.30 H new ATOM 0 H1' DT A 11 2.356 -5.893 3.079 1.00 0.32 H new ATOM 0 H3 DT A 11 1.230 -10.222 3.669 1.00 0.40 H new ATOM 0 H71 DT A 11 0.354 -10.630 -0.929 1.00 0.25 H new ATOM 0 H72 DT A 11 -0.699 -9.196 -0.879 1.00 0.25 H new ATOM 0 H73 DT A 11 0.926 -9.083 -1.597 1.00 0.25 H new ATOM 0 H6 DT A 11 1.598 -7.307 -0.128 1.00 0.23 H new ATOM 354 P DG A 12 6.870 -5.122 1.453 1.00 0.25 P ATOM 355 OP1 DG A 12 7.374 -6.434 0.980 1.00 0.35 O ATOM 356 OP2 DG A 12 6.599 -4.911 2.889 1.00 0.44 O ATOM 357 O5' DG A 12 7.899 -3.973 0.989 1.00 0.27 O ATOM 358 C5' DG A 12 8.796 -4.173 -0.108 1.00 0.34 C ATOM 359 C4' DG A 12 8.704 -3.031 -1.114 1.00 0.26 C ATOM 360 O4' DG A 12 7.375 -2.976 -1.631 1.00 0.31 O ATOM 361 C3' DG A 12 9.028 -1.647 -0.526 1.00 0.23 C ATOM 362 O3' DG A 12 10.131 -1.031 -1.239 1.00 0.29 O ATOM 363 C2' DG A 12 7.740 -0.818 -0.734 1.00 0.28 C ATOM 364 C1' DG A 12 7.000 -1.614 -1.799 1.00 0.25 C ATOM 365 N9 DG A 12 5.521 -1.561 -1.723 1.00 0.22 N ATOM 366 C8 DG A 12 4.629 -1.495 -2.753 1.00 0.23 C ATOM 367 N7 DG A 12 3.380 -1.518 -2.409 1.00 0.23 N ATOM 368 C5 DG A 12 3.429 -1.606 -1.023 1.00 0.21 C ATOM 369 C6 DG A 12 2.364 -1.668 -0.087 1.00 0.21 C ATOM 370 O6 DG A 12 1.159 -1.669 -0.313 1.00 0.23 O ATOM 371 N1 DG A 12 2.827 -1.747 1.216 1.00 0.21 N ATOM 372 C2 DG A 12 4.158 -1.766 1.580 1.00 0.22 C ATOM 373 N2 DG A 12 4.415 -1.821 2.886 1.00 0.23 N ATOM 374 N3 DG A 12 5.170 -1.711 0.701 1.00 0.22 N ATOM 375 C4 DG A 12 4.734 -1.631 -0.582 1.00 0.21 C ATOM 0 H5' DG A 12 8.564 -5.116 -0.603 1.00 0.34 H new ATOM 0 H5'' DG A 12 9.817 -4.251 0.264 1.00 0.34 H new ATOM 0 H4' DG A 12 9.449 -3.244 -1.881 1.00 0.26 H new ATOM 0 H3' DG A 12 9.323 -1.711 0.522 1.00 0.23 H new ATOM 0 H2' DG A 12 7.160 -0.733 0.185 1.00 0.28 H new ATOM 0 H2'' DG A 12 7.960 0.196 -1.066 1.00 0.28 H new ATOM 0 H1' DG A 12 7.274 -1.174 -2.758 1.00 0.25 H new ATOM 0 H8 DG A 12 4.942 -1.428 -3.784 1.00 0.23 H new ATOM 0 H1 DG A 12 2.133 -1.795 1.962 1.00 0.21 H new ATOM 0 H21 DG A 12 5.380 -1.838 3.216 1.00 0.23 H new ATOM 0 H22 DG A 12 3.647 -1.847 3.556 1.00 0.23 H new ATOM 387 P DG A 13 10.349 -1.158 -2.841 1.00 0.34 P ATOM 388 OP1 DG A 13 10.122 -2.564 -3.239 1.00 0.50 O ATOM 389 OP2 DG A 13 11.633 -0.504 -3.177 1.00 0.55 O ATOM 390 O5' DG A 13 9.165 -0.267 -3.463 1.00 0.27 O ATOM 391 C5' DG A 13 8.966 -0.233 -4.884 1.00 0.27 C ATOM 392 C4' DG A 13 8.311 1.069 -5.324 1.00 0.22 C ATOM 393 O4' DG A 13 6.973 1.121 -4.815 1.00 0.22 O ATOM 394 C3' DG A 13 9.049 2.316 -4.835 1.00 0.22 C ATOM 395 O3' DG A 13 9.198 3.239 -5.913 1.00 0.29 O ATOM 396 C2' DG A 13 8.112 2.920 -3.783 1.00 0.24 C ATOM 397 C1' DG A 13 6.748 2.392 -4.211 1.00 0.19 C ATOM 398 N9 DG A 13 5.818 2.197 -3.087 1.00 0.19 N ATOM 399 C8 DG A 13 6.111 2.078 -1.760 1.00 0.20 C ATOM 400 N7 DG A 13 5.094 1.928 -0.981 1.00 0.19 N ATOM 401 C5 DG A 13 4.013 1.946 -1.855 1.00 0.17 C ATOM 402 C6 DG A 13 2.631 1.828 -1.575 1.00 0.16 C ATOM 403 O6 DG A 13 2.093 1.698 -0.480 1.00 0.18 O ATOM 404 N1 DG A 13 1.866 1.899 -2.729 1.00 0.16 N ATOM 405 C2 DG A 13 2.371 2.060 -4.006 1.00 0.18 C ATOM 406 N2 DG A 13 1.476 2.100 -4.997 1.00 0.21 N ATOM 407 N3 DG A 13 3.681 2.174 -4.276 1.00 0.18 N ATOM 408 C4 DG A 13 4.442 2.109 -3.153 1.00 0.17 C ATOM 0 H5' DG A 13 8.343 -1.075 -5.186 1.00 0.27 H new ATOM 0 H5'' DG A 13 9.925 -0.348 -5.390 1.00 0.27 H new ATOM 0 H4' DG A 13 8.335 1.073 -6.414 1.00 0.22 H new ATOM 0 H3' DG A 13 10.041 2.090 -4.445 1.00 0.22 H new ATOM 0 H2' DG A 13 8.373 2.598 -2.775 1.00 0.24 H new ATOM 0 H2'' DG A 13 8.145 4.009 -3.788 1.00 0.24 H new ATOM 0 H1' DG A 13 6.294 3.123 -4.880 1.00 0.19 H new ATOM 0 H8 DG A 13 7.124 2.107 -1.388 1.00 0.20 H new ATOM 0 H1 DG A 13 0.854 1.827 -2.628 1.00 0.16 H new ATOM 0 H21 DG A 13 1.788 2.217 -5.961 1.00 0.21 H new ATOM 0 H22 DG A 13 0.481 2.014 -4.789 1.00 0.21 H new ATOM 420 P DT A 14 10.365 4.348 -5.882 1.00 0.49 P ATOM 421 OP1 DT A 14 9.835 5.578 -6.505 1.00 0.95 O ATOM 422 OP2 DT A 14 11.602 3.730 -6.408 1.00 0.89 O ATOM 423 O5' DT A 14 10.565 4.628 -4.307 1.00 0.32 O ATOM 424 C5' DT A 14 11.730 5.312 -3.826 1.00 0.37 C ATOM 425 C4' DT A 14 11.387 6.685 -3.251 1.00 0.30 C ATOM 426 O4' DT A 14 10.760 7.485 -4.247 1.00 0.30 O ATOM 427 C3' DT A 14 10.439 6.641 -2.051 1.00 0.29 C ATOM 428 O3' DT A 14 11.156 7.042 -0.877 1.00 0.39 O ATOM 429 C2' DT A 14 9.351 7.672 -2.369 1.00 0.29 C ATOM 430 C1' DT A 14 9.888 8.396 -3.588 1.00 0.31 C ATOM 431 N1 DT A 14 8.853 8.814 -4.558 1.00 0.46 N ATOM 432 C2 DT A 14 8.446 10.137 -4.536 1.00 0.71 C ATOM 433 O2 DT A 14 8.907 10.954 -3.745 1.00 0.83 O ATOM 434 N3 DT A 14 7.488 10.492 -5.464 1.00 0.94 N ATOM 435 C4 DT A 14 6.909 9.657 -6.399 1.00 1.00 C ATOM 436 O4 DT A 14 6.061 10.086 -7.178 1.00 1.27 O ATOM 437 C5 DT A 14 7.394 8.293 -6.351 1.00 0.82 C ATOM 438 C7 DT A 14 6.844 7.260 -7.332 1.00 1.05 C ATOM 439 C6 DT A 14 8.329 7.921 -5.454 1.00 0.56 C ATOM 0 H5' DT A 14 12.445 5.428 -4.640 1.00 0.37 H new ATOM 0 H5'' DT A 14 12.215 4.708 -3.059 1.00 0.37 H new ATOM 0 H4' DT A 14 12.338 7.101 -2.919 1.00 0.30 H new ATOM 0 H3' DT A 14 10.024 5.648 -1.876 1.00 0.29 H new ATOM 0 H2' DT A 14 8.394 7.193 -2.577 1.00 0.29 H new ATOM 0 H2'' DT A 14 9.191 8.356 -1.535 1.00 0.29 H new ATOM 0 H1' DT A 14 10.371 9.310 -3.243 1.00 0.31 H new ATOM 0 H3 DT A 14 7.178 11.464 -5.459 1.00 0.94 H new ATOM 0 H71 DT A 14 7.609 6.513 -7.541 1.00 1.05 H new ATOM 0 H72 DT A 14 5.971 6.774 -6.897 1.00 1.05 H new ATOM 0 H73 DT A 14 6.558 7.755 -8.260 1.00 1.05 H new ATOM 0 H6 DT A 14 8.672 6.897 -5.442 1.00 0.56 H new ATOM 452 P DT A 15 11.255 6.070 0.404 1.00 0.37 P ATOM 453 OP1 DT A 15 12.638 6.136 0.930 1.00 0.58 O ATOM 454 OP2 DT A 15 10.663 4.761 0.044 1.00 0.49 O ATOM 455 O5' DT A 15 10.287 6.798 1.463 1.00 0.28 O ATOM 456 C5' DT A 15 8.888 6.942 1.204 1.00 0.27 C ATOM 457 C4' DT A 15 8.056 5.993 2.064 1.00 0.21 C ATOM 458 O4' DT A 15 6.694 6.013 1.603 1.00 0.21 O ATOM 459 C3' DT A 15 8.515 4.536 1.999 1.00 0.17 C ATOM 460 O3' DT A 15 8.171 3.868 3.226 1.00 0.19 O ATOM 461 C2' DT A 15 7.675 4.000 0.861 1.00 0.18 C ATOM 462 C1' DT A 15 6.353 4.694 1.162 1.00 0.18 C ATOM 463 N1 DT A 15 5.410 4.816 0.025 1.00 0.18 N ATOM 464 C2 DT A 15 4.072 4.573 0.299 1.00 0.18 C ATOM 465 O2 DT A 15 3.710 4.153 1.388 1.00 0.21 O ATOM 466 N3 DT A 15 3.180 4.748 -0.750 1.00 0.19 N ATOM 467 C4 DT A 15 3.535 5.120 -2.036 1.00 0.19 C ATOM 468 O4 DT A 15 2.694 5.239 -2.903 1.00 0.22 O ATOM 469 C5 DT A 15 4.949 5.334 -2.237 1.00 0.19 C ATOM 470 C7 DT A 15 5.449 5.675 -3.638 1.00 0.22 C ATOM 471 C6 DT A 15 5.829 5.190 -1.227 1.00 0.18 C ATOM 0 H5' DT A 15 8.691 6.746 0.150 1.00 0.27 H new ATOM 0 H5'' DT A 15 8.585 7.971 1.399 1.00 0.27 H new ATOM 0 H4' DT A 15 8.169 6.345 3.089 1.00 0.21 H new ATOM 0 H3' DT A 15 9.588 4.404 1.859 1.00 0.17 H new ATOM 0 H2' DT A 15 8.075 4.270 -0.116 1.00 0.18 H new ATOM 0 H2'' DT A 15 7.590 2.914 0.881 1.00 0.18 H new ATOM 0 H1' DT A 15 5.828 4.082 1.896 1.00 0.18 H new ATOM 0 H3 DT A 15 2.190 4.591 -0.560 1.00 0.19 H new ATOM 0 H71 DT A 15 4.796 5.215 -4.379 1.00 0.22 H new ATOM 0 H72 DT A 15 5.445 6.757 -3.772 1.00 0.22 H new ATOM 0 H73 DT A 15 6.464 5.297 -3.764 1.00 0.22 H new ATOM 0 H6 DT A 15 6.879 5.371 -1.405 1.00 0.18 H new ATOM 484 P DG A 16 8.642 2.350 3.519 1.00 0.21 P ATOM 485 OP1 DG A 16 10.090 2.361 3.813 1.00 0.27 O ATOM 486 OP2 DG A 16 8.110 1.481 2.446 1.00 0.24 O ATOM 487 O5' DG A 16 7.856 1.985 4.872 1.00 0.27 O ATOM 488 C5' DG A 16 8.193 2.600 6.119 1.00 0.25 C ATOM 489 C4' DG A 16 7.330 2.051 7.252 1.00 0.20 C ATOM 490 O4' DG A 16 5.946 2.373 7.005 1.00 0.23 O ATOM 491 C3' DG A 16 7.410 0.525 7.409 1.00 0.20 C ATOM 492 O3' DG A 16 7.387 0.195 8.813 1.00 0.25 O ATOM 493 C2' DG A 16 6.134 0.060 6.723 1.00 0.17 C ATOM 494 C1' DG A 16 5.191 1.166 7.130 1.00 0.18 C ATOM 495 N9 DG A 16 3.966 1.265 6.312 1.00 0.18 N ATOM 496 C8 DG A 16 2.667 1.205 6.726 1.00 0.20 C ATOM 497 N7 DG A 16 1.782 1.278 5.784 1.00 0.20 N ATOM 498 C5 DG A 16 2.552 1.398 4.631 1.00 0.17 C ATOM 499 C6 DG A 16 2.140 1.520 3.283 1.00 0.17 C ATOM 500 O6 DG A 16 1.008 1.530 2.838 1.00 0.21 O ATOM 501 N1 DG A 16 3.212 1.619 2.426 1.00 0.16 N ATOM 502 C2 DG A 16 4.532 1.598 2.807 1.00 0.15 C ATOM 503 N2 DG A 16 5.420 1.674 1.824 1.00 0.17 N ATOM 504 N3 DG A 16 4.935 1.488 4.078 1.00 0.15 N ATOM 505 C4 DG A 16 3.891 1.393 4.938 1.00 0.16 C ATOM 0 H5' DG A 16 8.058 3.679 6.044 1.00 0.25 H new ATOM 0 H5'' DG A 16 9.246 2.425 6.342 1.00 0.25 H new ATOM 0 H4' DG A 16 7.714 2.512 8.162 1.00 0.20 H new ATOM 0 H3' DG A 16 8.309 0.070 6.992 1.00 0.20 H new ATOM 0 H2' DG A 16 6.247 -0.013 5.641 1.00 0.17 H new ATOM 0 H2'' DG A 16 5.805 -0.917 7.076 1.00 0.17 H new ATOM 0 H1' DG A 16 4.833 0.968 8.140 1.00 0.18 H new ATOM 0 H8 DG A 16 2.396 1.104 7.767 1.00 0.20 H new ATOM 0 H1 DG A 16 3.011 1.715 1.431 1.00 0.16 H new ATOM 0 H21 DG A 16 6.418 1.664 2.036 1.00 0.17 H new ATOM 0 H22 DG A 16 5.105 1.743 0.856 1.00 0.17 H new ATOM 517 P DG A 17 7.134 -1.316 9.331 1.00 0.30 P ATOM 518 OP1 DG A 17 7.700 -1.439 10.694 1.00 0.36 O ATOM 519 OP2 DG A 17 7.562 -2.257 8.272 1.00 0.35 O ATOM 520 O5' DG A 17 5.529 -1.378 9.447 1.00 0.32 O ATOM 521 C5' DG A 17 4.852 -0.731 10.532 1.00 0.41 C ATOM 522 C4' DG A 17 3.457 -1.310 10.755 1.00 0.39 C ATOM 523 O4' DG A 17 2.637 -1.042 9.608 1.00 0.36 O ATOM 524 C3' DG A 17 3.442 -2.823 10.982 1.00 0.45 C ATOM 525 O3' DG A 17 2.481 -3.189 11.980 1.00 0.57 O ATOM 526 C2' DG A 17 3.057 -3.366 9.616 1.00 0.38 C ATOM 527 C1' DG A 17 2.131 -2.278 9.099 1.00 0.29 C ATOM 528 N9 DG A 17 2.074 -2.172 7.629 1.00 0.24 N ATOM 529 C8 DG A 17 3.095 -2.052 6.733 1.00 0.23 C ATOM 530 N7 DG A 17 2.730 -1.956 5.489 1.00 0.23 N ATOM 531 C5 DG A 17 1.339 -2.018 5.561 1.00 0.21 C ATOM 532 C6 DG A 17 0.370 -1.968 4.522 1.00 0.20 C ATOM 533 O6 DG A 17 0.568 -1.846 3.314 1.00 0.23 O ATOM 534 N1 DG A 17 -0.927 -2.067 5.026 1.00 0.20 N ATOM 535 C2 DG A 17 -1.239 -2.195 6.371 1.00 0.21 C ATOM 536 N2 DG A 17 -2.527 -2.251 6.688 1.00 0.22 N ATOM 537 N3 DG A 17 -0.324 -2.243 7.340 1.00 0.22 N ATOM 538 C4 DG A 17 0.933 -2.151 6.868 1.00 0.21 C ATOM 0 H5' DG A 17 4.774 0.337 10.327 1.00 0.41 H new ATOM 0 H5'' DG A 17 5.440 -0.838 11.443 1.00 0.41 H new ATOM 0 H4' DG A 17 3.080 -0.831 11.658 1.00 0.39 H new ATOM 0 H3' DG A 17 4.392 -3.214 11.347 1.00 0.45 H new ATOM 0 H2' DG A 17 3.925 -3.504 8.972 1.00 0.38 H new ATOM 0 H2'' DG A 17 2.555 -4.331 9.686 1.00 0.38 H new ATOM 0 HO3' DG A 17 2.492 -4.161 12.103 1.00 0.57 H new ATOM 0 H1' DG A 17 1.120 -2.519 9.427 1.00 0.29 H new ATOM 0 H8 DG A 17 4.132 -2.038 7.035 1.00 0.23 H new ATOM 0 H1 DG A 17 -1.699 -2.044 4.359 1.00 0.20 H new ATOM 0 H21 DG A 17 -2.808 -2.345 7.664 1.00 0.22 H new ATOM 0 H22 DG A 17 -3.235 -2.200 5.956 1.00 0.22 H new TER 550 DG A 17