USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 285 hydrogens (10 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 18 DT C7 :methyl 150:sc= -4.73! (180deg=-1.22) USER MOD Set 1.2: A 19 DT C7 :methyl 150:sc= -4.24! (180deg=-0.0123) USER MOD Set 2.1: A 1 DT C7 :methyl -30:sc= -2.02 (180deg=-6.6!) USER MOD Set 2.2: A 12 DT C7 :methyl 150:sc= -0.0101 (180deg=-0.0101) USER MOD Single : A 1 DT O5' : rot 143:sc= 0.524 USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.0173 (180deg=-0.479) USER MOD Single : A 13 DT C7 :methyl -30:sc=-1.38e-05 (180deg=-0.00515) USER MOD Single : A 24 DT C7 :methyl -30:sc= 0 (180deg=-0.00205) USER MOD Single : A 25 DT C7 :methyl -30:sc= -1.57! (180deg=-2.25!) 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0.89 H new ATOM 0 H5'' DT A 1 6.147 7.214 -6.344 1.00 0.89 H new ATOM 0 H4' DT A 1 4.516 5.614 -6.827 1.00 0.69 H new ATOM 0 H3' DT A 1 4.117 8.200 -7.684 1.00 0.67 H new ATOM 0 H2' DT A 1 2.541 8.880 -5.994 1.00 0.61 H new ATOM 0 H2'' DT A 1 1.454 8.231 -7.205 1.00 0.61 H new ATOM 0 HO5' DT A 1 5.496 8.463 -4.202 1.00 0.90 H new ATOM 0 H1' DT A 1 1.165 6.206 -6.086 1.00 0.53 H new ATOM 0 H3 DT A 1 -1.614 7.777 -2.976 1.00 0.85 H new ATOM 0 H71 DT A 1 1.902 9.349 -0.367 1.00 0.68 H new ATOM 0 H72 DT A 1 2.639 7.730 -0.317 1.00 0.68 H new ATOM 0 H73 DT A 1 3.363 9.007 -1.322 1.00 0.68 H new ATOM 0 H6 DT A 1 3.159 7.689 -3.383 1.00 0.56 H new ATOM 31 P DA A 2 2.729 7.402 -9.840 1.00 0.90 P ATOM 32 OP1 DA A 2 3.333 6.631 -10.954 1.00 1.01 O ATOM 33 OP2 DA A 2 3.093 8.836 -9.718 1.00 1.30 O ATOM 34 O5' DA A 2 1.147 7.274 -9.916 1.00 0.78 O ATOM 35 C5' DA A 2 0.444 6.361 -9.080 1.00 0.65 C ATOM 36 C4' DA A 2 -0.991 6.232 -9.521 1.00 0.61 C ATOM 37 O4' DA A 2 -1.826 7.052 -8.690 1.00 0.61 O ATOM 38 C3' DA A 2 -1.256 6.705 -10.945 1.00 0.72 C ATOM 39 O3' DA A 2 -2.274 5.894 -11.564 1.00 0.76 O ATOM 40 C2' DA A 2 -1.727 8.158 -10.780 1.00 0.94 C ATOM 41 C1' DA A 2 -1.960 8.332 -9.270 1.00 0.83 C ATOM 42 N9 DA A 2 -1.029 9.255 -8.575 1.00 0.96 N ATOM 43 C8 DA A 2 0.065 9.917 -9.085 1.00 1.05 C ATOM 44 N7 DA A 2 0.698 10.664 -8.205 1.00 1.21 N ATOM 45 C5 DA A 2 -0.021 10.481 -7.032 1.00 1.21 C ATOM 46 C6 DA A 2 0.129 10.994 -5.713 1.00 1.37 C ATOM 47 N6 DA A 2 1.089 11.831 -5.329 1.00 1.51 N ATOM 48 N1 DA A 2 -0.764 10.604 -4.780 1.00 1.42 N ATOM 49 C2 DA A 2 -1.737 9.762 -5.137 1.00 1.36 C ATOM 50 N3 DA A 2 -1.994 9.213 -6.330 1.00 1.21 N ATOM 51 C4 DA A 2 -1.089 9.614 -7.247 1.00 1.11 C ATOM 0 H5' DA A 2 0.482 6.703 -8.046 1.00 0.65 H new ATOM 0 H5'' DA A 2 0.928 5.385 -9.111 1.00 0.65 H new ATOM 0 H4' DA A 2 -1.208 5.166 -9.452 1.00 0.61 H new ATOM 0 H3' DA A 2 -0.378 6.629 -11.586 1.00 0.72 H new ATOM 0 H2' DA A 2 -0.978 8.860 -11.147 1.00 0.94 H new ATOM 0 H2'' DA A 2 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-6.930 1.00 0.43 N ATOM 77 C5 DG A 3 2.675 3.266 -6.920 1.00 0.41 C ATOM 78 C6 DG A 3 1.762 3.291 -5.826 1.00 0.43 C ATOM 79 O6 DG A 3 2.021 3.339 -4.621 1.00 0.46 O ATOM 80 N1 DG A 3 0.431 3.259 -6.261 1.00 0.47 N ATOM 81 C2 DG A 3 0.041 3.208 -7.589 1.00 0.48 C ATOM 82 N2 DG A 3 -1.273 3.191 -7.831 1.00 0.55 N ATOM 83 N3 DG A 3 0.888 3.184 -8.610 1.00 0.46 N ATOM 84 C4 DG A 3 2.180 3.216 -8.210 1.00 0.43 C ATOM 0 H5' DG A 3 0.005 2.452 -13.005 1.00 0.54 H new ATOM 0 H5'' DG A 3 0.092 2.563 -11.258 1.00 0.54 H new ATOM 0 H4' DG A 3 1.941 3.980 -13.145 1.00 0.49 H new ATOM 0 H3' DG A 3 2.125 1.263 -12.956 1.00 0.60 H new ATOM 0 H2' DG A 3 2.275 1.221 -10.494 1.00 0.59 H new ATOM 0 H2'' DG A 3 3.950 1.112 -10.997 1.00 0.59 H new ATOM 0 H1' DG A 3 4.321 3.438 -10.770 1.00 0.50 H new ATOM 0 H8 DG A 3 5.391 3.244 -8.560 1.00 0.45 H new ATOM 0 H1 DG A 3 -0.301 3.274 -5.551 1.00 0.47 H new ATOM 0 H21 DG A 3 -1.614 3.154 -8.792 1.00 0.55 H new ATOM 0 H22 DG A 3 -1.935 3.215 -7.055 1.00 0.55 H new ATOM 96 P DG A 4 4.780 1.126 -13.732 1.00 0.88 P ATOM 97 OP1 DG A 4 5.693 1.620 -14.794 1.00 0.98 O ATOM 98 OP2 DG A 4 3.937 -0.054 -14.051 1.00 1.12 O ATOM 99 O5' DG A 4 5.635 0.814 -12.417 1.00 0.73 O ATOM 100 C5' DG A 4 6.760 1.613 -12.061 1.00 0.73 C ATOM 101 C4' DG A 4 7.361 1.173 -10.737 1.00 0.59 C ATOM 102 O4' DG A 4 6.373 1.298 -9.687 1.00 0.47 O ATOM 103 C3' DG A 4 7.847 -0.284 -10.681 1.00 0.61 C ATOM 104 O3' DG A 4 9.240 -0.310 -10.313 1.00 0.69 O ATOM 105 C2' DG A 4 6.982 -0.930 -9.594 1.00 0.50 C ATOM 106 C1' DG A 4 6.574 0.261 -8.757 1.00 0.42 C ATOM 107 N9 DG A 4 5.339 0.079 -7.979 1.00 0.42 N ATOM 108 C8 DG A 4 4.070 -0.123 -8.466 1.00 0.48 C ATOM 109 N7 DG A 4 3.169 -0.226 -7.528 1.00 0.49 N ATOM 110 C5 DG A 4 3.884 -0.089 -6.351 1.00 0.45 C ATOM 111 C6 DG A 4 3.438 -0.117 -5.000 1.00 0.48 C ATOM 112 O6 DG A 4 2.288 -0.268 -4.587 1.00 0.54 O ATOM 113 N1 DG A 4 4.496 0.058 -4.100 1.00 0.45 N ATOM 114 C2 DG A 4 5.818 0.237 -4.467 1.00 0.41 C ATOM 115 N2 DG A 4 6.710 0.376 -3.476 1.00 0.42 N ATOM 116 N3 DG A 4 6.238 0.267 -5.729 1.00 0.38 N ATOM 117 C4 DG A 4 5.227 0.099 -6.612 1.00 0.40 C ATOM 0 H5' DG A 4 6.458 2.658 -11.995 1.00 0.73 H new ATOM 0 H5'' DG A 4 7.516 1.548 -12.844 1.00 0.73 H new ATOM 0 H4' DG A 4 8.227 1.823 -10.613 1.00 0.59 H new ATOM 0 H3' DG A 4 7.759 -0.806 -11.634 1.00 0.61 H new ATOM 0 H2' DG A 4 6.119 -1.446 -10.014 1.00 0.50 H new ATOM 0 H2'' DG A 4 7.540 -1.664 -9.012 1.00 0.50 H new ATOM 0 H1' DG A 4 7.348 0.451 -8.013 1.00 0.42 H new ATOM 0 H8 DG A 4 3.841 -0.190 -9.519 1.00 0.48 H new ATOM 0 H1 DG A 4 4.277 0.053 -3.104 1.00 0.45 H new ATOM 0 H21 DG A 4 7.697 0.510 -3.694 1.00 0.42 H new ATOM 0 H22 DG A 4 6.401 0.347 -2.504 1.00 0.42 H new ATOM 129 P DG A 5 10.034 -1.705 -10.165 1.00 0.83 P ATOM 130 OP1 DG A 5 11.459 -1.489 -10.523 1.00 0.97 O ATOM 131 OP2 DG A 5 9.294 -2.761 -10.901 1.00 1.04 O ATOM 132 O5' DG A 5 9.931 -1.992 -8.598 1.00 0.71 O ATOM 133 C5' DG A 5 10.572 -1.144 -7.648 1.00 0.66 C ATOM 134 C4' DG A 5 10.414 -1.686 -6.242 1.00 0.49 C ATOM 135 O4' DG A 5 9.037 -1.563 -5.835 1.00 0.45 O ATOM 136 C3' DG A 5 10.764 -3.171 -6.082 1.00 0.42 C ATOM 137 O3' DG A 5 11.843 -3.330 -5.141 1.00 0.46 O ATOM 138 C2' DG A 5 9.494 -3.822 -5.558 1.00 0.38 C ATOM 139 C1' DG A 5 8.713 -2.656 -5.012 1.00 0.35 C ATOM 140 N9 DG A 5 7.273 -2.859 -5.055 1.00 0.33 N ATOM 141 C8 DG A 5 6.485 -2.953 -6.171 1.00 0.33 C ATOM 142 N7 DG A 5 5.223 -3.180 -5.891 1.00 0.37 N ATOM 143 C5 DG A 5 5.196 -3.237 -4.498 1.00 0.36 C ATOM 144 C6 DG A 5 4.114 -3.462 -3.599 1.00 0.42 C ATOM 145 O6 DG A 5 2.932 -3.643 -3.870 1.00 0.51 O ATOM 146 N1 DG A 5 4.533 -3.448 -2.260 1.00 0.43 N ATOM 147 C2 DG A 5 5.838 -3.238 -1.849 1.00 0.41 C ATOM 148 N2 DG A 5 6.080 -3.260 -0.532 1.00 0.47 N ATOM 149 N3 DG A 5 6.846 -3.026 -2.685 1.00 0.37 N ATOM 150 C4 DG A 5 6.458 -3.040 -3.979 1.00 0.33 C ATOM 0 H5' DG A 5 10.147 -0.142 -7.705 1.00 0.66 H new ATOM 0 H5'' DG A 5 11.631 -1.056 -7.891 1.00 0.66 H new ATOM 0 H4' DG A 5 11.108 -1.101 -5.639 1.00 0.49 H new ATOM 0 H3' DG A 5 11.094 -3.621 -7.018 1.00 0.42 H new ATOM 0 H2' DG A 5 8.949 -4.337 -6.349 1.00 0.38 H new ATOM 0 H2'' DG A 5 9.709 -4.561 -4.786 1.00 0.38 H new ATOM 0 H1' DG A 5 8.971 -2.510 -3.963 1.00 0.35 H new ATOM 0 H8 DG A 5 6.863 -2.851 -7.178 1.00 0.33 H new ATOM 0 H1 DG A 5 3.827 -3.603 -1.540 1.00 0.43 H new ATOM 0 H21 DG A 5 7.027 -3.110 -0.185 1.00 0.47 H new ATOM 0 H22 DG A 5 5.317 -3.427 0.124 1.00 0.47 H new ATOM 162 P DT A 6 12.492 -4.783 -4.876 1.00 0.54 P ATOM 163 OP1 DT A 6 13.866 -4.604 -4.341 1.00 0.70 O ATOM 164 OP2 DT A 6 12.337 -5.608 -6.101 1.00 0.68 O ATOM 165 O5' DT A 6 11.565 -5.385 -3.721 1.00 0.51 O ATOM 166 C5' DT A 6 11.857 -6.650 -3.126 1.00 0.60 C ATOM 167 C4' DT A 6 11.283 -6.765 -1.722 1.00 0.66 C ATOM 168 O4' DT A 6 11.488 -5.520 -0.994 1.00 0.71 O ATOM 169 C3' DT A 6 9.780 -7.040 -1.643 1.00 0.59 C ATOM 170 O3' DT A 6 9.509 -7.923 -0.538 1.00 0.74 O ATOM 171 C2' DT A 6 9.198 -5.666 -1.374 1.00 0.60 C ATOM 172 C1' DT A 6 10.249 -5.084 -0.458 1.00 0.73 C ATOM 173 N1 DT A 6 10.253 -3.612 -0.381 1.00 0.74 N ATOM 174 C2 DT A 6 9.644 -3.023 0.718 1.00 0.97 C ATOM 175 O2 DT A 6 9.119 -3.667 1.612 1.00 1.17 O ATOM 176 N3 DT A 6 9.674 -1.647 0.729 1.00 1.01 N ATOM 177 C4 DT A 6 10.242 -0.822 -0.231 1.00 0.85 C ATOM 178 O4 DT A 6 10.198 0.394 -0.091 1.00 0.95 O ATOM 179 C5 DT A 6 10.862 -1.503 -1.357 1.00 0.62 C ATOM 180 C7 DT A 6 11.494 -0.682 -2.438 1.00 0.53 C ATOM 181 C6 DT A 6 10.839 -2.848 -1.380 1.00 0.58 C ATOM 0 H5' DT A 6 12.937 -6.793 -3.089 1.00 0.60 H new ATOM 0 H5'' DT A 6 11.451 -7.446 -3.750 1.00 0.60 H new ATOM 0 H4' DT A 6 11.812 -7.619 -1.299 1.00 0.66 H new ATOM 0 H3' DT A 6 9.370 -7.513 -2.536 1.00 0.59 H new ATOM 0 H2' DT A 6 9.078 -5.083 -2.287 1.00 0.60 H new ATOM 0 H2'' DT A 6 8.219 -5.719 -0.898 1.00 0.60 H new ATOM 0 H1' DT A 6 10.052 -5.418 0.560 1.00 0.73 H new ATOM 0 H3 DT A 6 9.233 -1.186 1.525 1.00 1.01 H new ATOM 0 H71 DT A 6 12.321 -1.238 -2.880 1.00 0.53 H new ATOM 0 H72 DT A 6 10.753 -0.460 -3.206 1.00 0.53 H new ATOM 0 H73 DT A 6 11.868 0.250 -2.015 1.00 0.53 H new ATOM 0 H6 DT A 6 11.298 -3.357 -2.215 1.00 0.58 H new ATOM 194 P DT A 7 8.294 -8.977 -0.600 1.00 0.59 P ATOM 195 OP1 DT A 7 8.203 -9.687 0.701 1.00 0.79 O ATOM 196 OP2 DT A 7 8.443 -9.804 -1.825 1.00 0.67 O ATOM 197 O5' DT A 7 7.021 -8.028 -0.767 1.00 0.59 O ATOM 198 C5' DT A 7 6.472 -7.289 0.325 1.00 0.59 C ATOM 199 C4' DT A 7 5.003 -7.613 0.521 1.00 0.58 C ATOM 200 O4' DT A 7 4.252 -7.184 -0.639 1.00 0.58 O ATOM 201 C3' DT A 7 4.684 -9.096 0.681 1.00 0.56 C ATOM 202 O3' DT A 7 3.522 -9.277 1.512 1.00 0.64 O ATOM 203 C2' DT A 7 4.396 -9.546 -0.740 1.00 0.50 C ATOM 204 C1' DT A 7 3.775 -8.308 -1.372 1.00 0.50 C ATOM 205 N1 DT A 7 4.129 -8.117 -2.786 1.00 0.44 N ATOM 206 C2 DT A 7 3.108 -8.041 -3.720 1.00 0.48 C ATOM 207 O2 DT A 7 1.927 -8.164 -3.430 1.00 0.55 O ATOM 208 N3 DT A 7 3.525 -7.833 -5.016 1.00 0.48 N ATOM 209 C4 DT A 7 4.833 -7.709 -5.462 1.00 0.45 C ATOM 210 O4 DT A 7 5.058 -7.530 -6.655 1.00 0.51 O ATOM 211 C5 DT A 7 5.851 -7.808 -4.426 1.00 0.42 C ATOM 212 C7 DT A 7 7.293 -7.700 -4.800 1.00 0.48 C ATOM 213 C6 DT A 7 5.458 -8.001 -3.160 1.00 0.43 C ATOM 0 H5' DT A 7 6.591 -6.221 0.141 1.00 0.59 H new ATOM 0 H5'' DT A 7 7.023 -7.519 1.237 1.00 0.59 H new ATOM 0 H4' DT A 7 4.735 -7.097 1.443 1.00 0.58 H new ATOM 0 H3' DT A 7 5.489 -9.658 1.155 1.00 0.56 H new ATOM 0 H2' DT A 7 5.305 -9.851 -1.259 1.00 0.50 H new ATOM 0 H2'' DT A 7 3.714 -10.396 -0.764 1.00 0.50 H new ATOM 0 H1' DT A 7 2.692 -8.425 -1.337 1.00 0.50 H new ATOM 0 H3 DT A 7 2.794 -7.763 -5.724 1.00 0.48 H new ATOM 0 H71 DT A 7 7.435 -8.077 -5.813 1.00 0.48 H new ATOM 0 H72 DT A 7 7.604 -6.656 -4.754 1.00 0.48 H new ATOM 0 H73 DT A 7 7.894 -8.288 -4.106 1.00 0.48 H new ATOM 0 H6 DT A 7 6.215 -8.070 -2.393 1.00 0.43 H new ATOM 226 P DA A 8 3.674 -9.568 3.091 1.00 0.68 P ATOM 227 OP1 DA A 8 4.955 -8.988 3.572 1.00 0.75 O ATOM 228 OP2 DA A 8 3.444 -11.015 3.331 1.00 0.97 O ATOM 229 O5' DA A 8 2.459 -8.737 3.713 1.00 0.56 O ATOM 230 C5' DA A 8 2.682 -7.591 4.532 1.00 0.57 C ATOM 231 C4' DA A 8 1.440 -6.724 4.628 1.00 0.57 C ATOM 232 O4' DA A 8 1.046 -6.290 3.304 1.00 0.53 O ATOM 233 C3' DA A 8 0.201 -7.406 5.209 1.00 0.62 C ATOM 234 O3' DA A 8 -0.625 -6.440 5.889 1.00 0.84 O ATOM 235 C2' DA A 8 -0.501 -7.923 3.965 1.00 0.55 C ATOM 236 C1' DA A 8 -0.244 -6.796 2.980 1.00 0.50 C ATOM 237 N9 DA A 8 -0.237 -7.197 1.566 1.00 0.47 N ATOM 238 C8 DA A 8 0.842 -7.621 0.828 1.00 0.47 C ATOM 239 N7 DA A 8 0.564 -7.868 -0.425 1.00 0.47 N ATOM 240 C5 DA A 8 -0.790 -7.590 -0.528 1.00 0.47 C ATOM 241 C6 DA A 8 -1.688 -7.653 -1.614 1.00 0.50 C ATOM 242 N6 DA A 8 -1.324 -8.007 -2.843 1.00 0.53 N ATOM 243 N1 DA A 8 -2.983 -7.316 -1.393 1.00 0.55 N ATOM 244 C2 DA A 8 -3.342 -6.933 -0.155 1.00 0.57 C ATOM 245 N3 DA A 8 -2.587 -6.830 0.951 1.00 0.53 N ATOM 246 C4 DA A 8 -1.304 -7.177 0.694 1.00 0.48 C ATOM 0 H5' DA A 8 3.505 -7.005 4.123 1.00 0.57 H new ATOM 0 H5'' DA A 8 2.983 -7.909 5.530 1.00 0.57 H new ATOM 0 H4' DA A 8 1.737 -5.918 5.299 1.00 0.57 H new ATOM 0 H3' DA A 8 0.426 -8.184 5.938 1.00 0.62 H new ATOM 0 H2' DA A 8 -0.084 -8.870 3.622 1.00 0.55 H new ATOM 0 H2'' DA A 8 -1.566 -8.086 4.133 1.00 0.55 H new ATOM 0 H1' DA A 8 -1.056 -6.075 3.074 1.00 0.50 H new ATOM 0 H8 DA A 8 1.831 -7.739 1.246 1.00 0.47 H new ATOM 0 H61 DA A 8 -2.016 -8.035 -3.592 1.00 0.53 H new ATOM 0 H62 DA A 8 -0.353 -8.250 -3.037 1.00 0.53 H new ATOM 0 H2 DA A 8 -4.383 -6.672 -0.033 1.00 0.57 H new ATOM 258 P DG A 9 -0.406 -6.122 7.455 1.00 1.02 P ATOM 259 OP1 DG A 9 -0.350 -7.402 8.205 1.00 1.17 O ATOM 260 OP2 DG A 9 -1.416 -5.120 7.882 1.00 1.30 O ATOM 261 O5' DG A 9 1.041 -5.446 7.479 1.00 0.86 O ATOM 262 C5' DG A 9 1.215 -4.041 7.315 1.00 0.85 C ATOM 263 C4' DG A 9 2.686 -3.680 7.332 1.00 0.71 C ATOM 264 O4' DG A 9 3.318 -4.182 6.119 1.00 0.57 O ATOM 265 C3' DG A 9 2.985 -2.178 7.347 1.00 0.73 C ATOM 266 O3' DG A 9 4.208 -1.931 8.074 1.00 0.72 O ATOM 267 C2' DG A 9 3.145 -1.875 5.868 1.00 0.65 C ATOM 268 C1' DG A 9 3.897 -3.102 5.404 1.00 0.52 C ATOM 269 N9 DG A 9 3.795 -3.380 3.963 1.00 0.44 N ATOM 270 C8 DG A 9 4.831 -3.624 3.096 1.00 0.41 C ATOM 271 N7 DG A 9 4.436 -3.829 1.871 1.00 0.36 N ATOM 272 C5 DG A 9 3.060 -3.715 1.924 1.00 0.36 C ATOM 273 C6 DG A 9 2.086 -3.839 0.888 1.00 0.39 C ATOM 274 O6 DG A 9 2.275 -4.067 -0.315 1.00 0.40 O ATOM 275 N1 DG A 9 0.788 -3.654 1.378 1.00 0.44 N ATOM 276 C2 DG A 9 0.478 -3.380 2.700 1.00 0.46 C ATOM 277 N2 DG A 9 -0.820 -3.254 3.000 1.00 0.53 N ATOM 278 N3 DG A 9 1.382 -3.259 3.665 1.00 0.46 N ATOM 279 C4 DG A 9 2.644 -3.438 3.212 1.00 0.41 C ATOM 0 H5' DG A 9 0.695 -3.509 8.112 1.00 0.85 H new ATOM 0 H5'' DG A 9 0.767 -3.721 6.374 1.00 0.85 H new ATOM 0 H4' DG A 9 3.064 -4.120 8.255 1.00 0.71 H new ATOM 0 H3' DG A 9 2.224 -1.565 7.830 1.00 0.73 H new ATOM 0 H2' DG A 9 2.185 -1.764 5.363 1.00 0.65 H new ATOM 0 H2'' DG A 9 3.706 -0.957 5.693 1.00 0.65 H new ATOM 0 H1' DG A 9 4.961 -2.951 5.588 1.00 0.52 H new ATOM 0 H8 DG A 9 5.868 -3.644 3.398 1.00 0.41 H new ATOM 0 H1 DG A 9 0.016 -3.726 0.715 1.00 0.44 H new ATOM 0 H21 DG A 9 -1.105 -3.052 3.958 1.00 0.53 H new ATOM 0 H22 DG A 9 -1.525 -3.360 2.270 1.00 0.53 H new ATOM 291 P DG A 10 4.927 -0.487 8.033 1.00 0.69 P ATOM 292 OP1 DG A 10 5.722 -0.310 9.274 1.00 0.91 O ATOM 293 OP2 DG A 10 3.910 0.549 7.716 1.00 0.86 O ATOM 294 O5' DG A 10 5.926 -0.640 6.797 1.00 0.61 O ATOM 295 C5' DG A 10 6.162 0.435 5.894 1.00 0.53 C ATOM 296 C4' DG A 10 7.476 0.247 5.166 1.00 0.47 C ATOM 297 O4' DG A 10 7.227 -0.341 3.853 1.00 0.41 O ATOM 298 C3' DG A 10 8.228 1.545 4.875 1.00 0.50 C ATOM 299 O3' DG A 10 9.646 1.295 4.814 1.00 0.62 O ATOM 300 C2' DG A 10 7.686 1.907 3.510 1.00 0.44 C ATOM 301 C1' DG A 10 7.684 0.557 2.854 1.00 0.41 C ATOM 302 N9 DG A 10 6.825 0.436 1.661 1.00 0.41 N ATOM 303 C8 DG A 10 7.254 0.433 0.358 1.00 0.42 C ATOM 304 N7 DG A 10 6.289 0.324 -0.503 1.00 0.44 N ATOM 305 C5 DG A 10 5.145 0.252 0.263 1.00 0.44 C ATOM 306 C6 DG A 10 3.790 0.127 -0.141 1.00 0.48 C ATOM 307 O6 DG A 10 3.347 0.052 -1.292 1.00 0.52 O ATOM 308 N1 DG A 10 2.924 0.092 0.955 1.00 0.50 N ATOM 309 C2 DG A 10 3.322 0.167 2.277 1.00 0.48 C ATOM 310 N2 DG A 10 2.347 0.122 3.199 1.00 0.52 N ATOM 311 N3 DG A 10 4.593 0.283 2.665 1.00 0.44 N ATOM 312 C4 DG A 10 5.448 0.320 1.612 1.00 0.43 C ATOM 0 H5' DG A 10 6.175 1.378 6.440 1.00 0.53 H new ATOM 0 H5'' DG A 10 5.347 0.496 5.173 1.00 0.53 H new ATOM 0 H4' DG A 10 8.073 -0.377 5.831 1.00 0.47 H new ATOM 0 H3' DG A 10 8.095 2.324 5.625 1.00 0.50 H new ATOM 0 H2' DG A 10 6.689 2.345 3.562 1.00 0.44 H new ATOM 0 H2'' DG A 10 8.321 2.622 2.987 1.00 0.44 H new ATOM 0 H1' DG A 10 8.689 0.352 2.484 1.00 0.41 H new ATOM 0 H8 DG A 10 8.293 0.513 0.076 1.00 0.42 H new ATOM 0 H1 DG A 10 1.925 0.005 0.766 1.00 0.50 H new ATOM 0 H21 DG A 10 2.580 0.173 4.191 1.00 0.52 H new ATOM 0 H22 DG A 10 1.373 0.037 2.908 1.00 0.52 H new ATOM 324 P DG A 11 10.695 2.516 4.742 1.00 0.73 P ATOM 325 OP1 DG A 11 12.076 1.969 4.765 1.00 0.93 O ATOM 326 OP2 DG A 11 10.336 3.515 5.779 1.00 0.90 O ATOM 327 O5' DG A 11 10.408 3.140 3.301 1.00 0.66 O ATOM 328 C5' DG A 11 10.974 2.585 2.116 1.00 0.58 C ATOM 329 C4' DG A 11 10.614 3.428 0.911 1.00 0.47 C ATOM 330 O4' DG A 11 9.298 3.058 0.441 1.00 0.43 O ATOM 331 C3' DG A 11 10.546 4.936 1.195 1.00 0.48 C ATOM 332 O3' DG A 11 11.476 5.647 0.356 1.00 0.61 O ATOM 333 C2' DG A 11 9.107 5.328 0.859 1.00 0.39 C ATOM 334 C1' DG A 11 8.656 4.208 -0.057 1.00 0.38 C ATOM 335 N9 DG A 11 7.205 3.962 -0.070 1.00 0.32 N ATOM 336 C8 DG A 11 6.367 3.873 1.017 1.00 0.28 C ATOM 337 N7 DG A 11 5.132 3.625 0.697 1.00 0.29 N ATOM 338 C5 DG A 11 5.143 3.553 -0.682 1.00 0.31 C ATOM 339 C6 DG A 11 4.074 3.318 -1.585 1.00 0.35 C ATOM 340 O6 DG A 11 2.894 3.105 -1.314 1.00 0.42 O ATOM 341 N1 DG A 11 4.500 3.343 -2.919 1.00 0.36 N ATOM 342 C2 DG A 11 5.807 3.555 -3.320 1.00 0.37 C ATOM 343 N2 DG A 11 6.040 3.552 -4.644 1.00 0.42 N ATOM 344 N3 DG A 11 6.818 3.769 -2.475 1.00 0.37 N ATOM 345 C4 DG A 11 6.414 3.759 -1.179 1.00 0.32 C ATOM 0 H5' DG A 11 10.612 1.566 1.976 1.00 0.58 H new ATOM 0 H5'' DG A 11 12.058 2.527 2.216 1.00 0.58 H new ATOM 0 H4' DG A 11 11.406 3.241 0.186 1.00 0.47 H new ATOM 0 H3' DG A 11 10.808 5.178 2.225 1.00 0.48 H new ATOM 0 H2' DG A 11 8.487 5.393 1.753 1.00 0.39 H new ATOM 0 H2'' DG A 11 9.057 6.298 0.365 1.00 0.39 H new ATOM 0 H1' DG A 11 8.907 4.473 -1.084 1.00 0.38 H new ATOM 0 H8 DG A 11 6.702 3.997 2.036 1.00 0.28 H new ATOM 0 H1 DG A 11 3.799 3.195 -3.645 1.00 0.36 H new ATOM 0 H21 DG A 11 6.985 3.703 -4.996 1.00 0.42 H new ATOM 0 H22 DG A 11 5.271 3.398 -5.297 1.00 0.42 H new ATOM 357 P DT A 12 12.710 6.469 1.000 1.00 0.88 P ATOM 358 OP1 DT A 12 13.980 5.954 0.429 1.00 1.28 O ATOM 359 OP2 DT A 12 12.577 6.472 2.479 1.00 1.41 O ATOM 360 O5' DT A 12 12.464 7.948 0.455 1.00 1.07 O ATOM 361 C5' DT A 12 11.307 8.705 0.813 1.00 0.83 C ATOM 362 C4' DT A 12 10.543 9.108 -0.429 1.00 0.85 C ATOM 363 O4' DT A 12 9.705 8.027 -0.858 1.00 0.89 O ATOM 364 C3' DT A 12 9.566 10.259 -0.260 1.00 0.79 C ATOM 365 O3' DT A 12 10.254 11.518 -0.356 1.00 0.91 O ATOM 366 C2' DT A 12 8.617 10.057 -1.435 1.00 0.82 C ATOM 367 C1' DT A 12 8.701 8.552 -1.710 1.00 0.82 C ATOM 368 N1 DT A 12 7.444 7.830 -1.464 1.00 0.66 N ATOM 369 C2 DT A 12 6.801 7.295 -2.559 1.00 0.72 C ATOM 370 O2 DT A 12 7.284 7.326 -3.676 1.00 0.87 O ATOM 371 N3 DT A 12 5.584 6.706 -2.293 1.00 0.65 N ATOM 372 C4 DT A 12 4.970 6.592 -1.058 1.00 0.51 C ATOM 373 O4 DT A 12 3.873 6.045 -0.967 1.00 0.53 O ATOM 374 C5 DT A 12 5.710 7.163 0.058 1.00 0.42 C ATOM 375 C7 DT A 12 5.129 7.064 1.433 1.00 0.40 C ATOM 376 C6 DT A 12 6.896 7.750 -0.193 1.00 0.51 C ATOM 0 H5' DT A 12 11.603 9.593 1.371 1.00 0.83 H new ATOM 0 H5'' DT A 12 10.666 8.115 1.468 1.00 0.83 H new ATOM 0 H4' DT A 12 11.334 9.396 -1.122 1.00 0.85 H new ATOM 0 H3' DT A 12 9.059 10.274 0.705 1.00 0.79 H new ATOM 0 H2' DT A 12 7.601 10.363 -1.187 1.00 0.82 H new ATOM 0 H2'' DT A 12 8.923 10.641 -2.303 1.00 0.82 H new ATOM 0 H1' DT A 12 8.926 8.417 -2.768 1.00 0.82 H new ATOM 0 H3 DT A 12 5.083 6.313 -3.090 1.00 0.65 H new ATOM 0 H71 DT A 12 5.934 7.022 2.166 1.00 0.40 H new ATOM 0 H72 DT A 12 4.506 7.937 1.628 1.00 0.40 H new ATOM 0 H73 DT A 12 4.523 6.161 1.508 1.00 0.40 H new ATOM 0 H6 DT A 12 7.445 8.178 0.633 1.00 0.51 H new ATOM 389 P DT A 13 9.426 12.897 -0.440 1.00 0.91 P ATOM 390 OP1 DT A 13 8.942 13.092 -1.831 1.00 1.13 O ATOM 391 OP2 DT A 13 10.250 13.979 0.154 1.00 1.06 O ATOM 392 O5' DT A 13 8.174 12.617 0.510 1.00 0.73 O ATOM 393 C5' DT A 13 7.567 13.678 1.235 1.00 0.68 C ATOM 394 C4' DT A 13 6.187 13.302 1.732 1.00 0.65 C ATOM 395 O4' DT A 13 5.215 13.818 0.801 1.00 0.76 O ATOM 396 C3' DT A 13 5.910 11.802 1.872 1.00 0.62 C ATOM 397 O3' DT A 13 5.201 11.530 3.098 1.00 0.73 O ATOM 398 C2' DT A 13 5.040 11.482 0.673 1.00 0.71 C ATOM 399 C1' DT A 13 4.323 12.806 0.407 1.00 0.84 C ATOM 400 N1 DT A 13 3.946 13.052 -0.999 1.00 0.99 N ATOM 401 C2 DT A 13 2.870 13.894 -1.255 1.00 1.22 C ATOM 402 O2 DT A 13 2.238 14.454 -0.374 1.00 1.32 O ATOM 403 N3 DT A 13 2.563 14.054 -2.592 1.00 1.39 N ATOM 404 C4 DT A 13 3.206 13.461 -3.670 1.00 1.38 C ATOM 405 O4 DT A 13 2.843 13.710 -4.821 1.00 1.58 O ATOM 406 C5 DT A 13 4.309 12.583 -3.325 1.00 1.17 C ATOM 407 C7 DT A 13 4.987 11.833 -4.423 1.00 1.28 C ATOM 408 C6 DT A 13 4.637 12.436 -2.026 1.00 1.00 C ATOM 0 H5' DT A 13 7.496 14.560 0.598 1.00 0.68 H new ATOM 0 H5'' DT A 13 8.198 13.947 2.082 1.00 0.68 H new ATOM 0 H4' DT A 13 6.123 13.726 2.734 1.00 0.65 H new ATOM 0 H3' DT A 13 6.821 11.205 1.905 1.00 0.62 H new ATOM 0 H2' DT A 13 5.634 11.165 -0.184 1.00 0.71 H new ATOM 0 H2'' DT A 13 4.336 10.678 0.888 1.00 0.71 H new ATOM 0 H1' DT A 13 3.383 12.783 0.959 1.00 0.84 H new ATOM 0 H3 DT A 13 1.782 14.673 -2.810 1.00 1.39 H new ATOM 0 H71 DT A 13 4.273 11.632 -5.221 1.00 1.28 H new ATOM 0 H72 DT A 13 5.811 12.429 -4.816 1.00 1.28 H new ATOM 0 H73 DT A 13 5.373 10.890 -4.035 1.00 1.28 H new ATOM 0 H6 DT A 13 5.479 11.808 -1.776 1.00 1.00 H new ATOM 421 P DA A 14 5.385 10.116 3.860 1.00 0.78 P ATOM 422 OP1 DA A 14 5.565 10.372 5.312 1.00 1.01 O ATOM 423 OP2 DA A 14 6.438 9.331 3.170 1.00 0.78 O ATOM 424 O5' DA A 14 3.970 9.403 3.632 1.00 0.86 O ATOM 425 C5' DA A 14 2.801 9.843 4.319 1.00 1.04 C ATOM 426 C4' DA A 14 1.920 8.677 4.732 1.00 1.06 C ATOM 427 O4' DA A 14 0.909 8.460 3.725 1.00 1.04 O ATOM 428 C3' DA A 14 2.628 7.322 4.910 1.00 1.01 C ATOM 429 O3' DA A 14 2.489 6.872 6.275 1.00 1.11 O ATOM 430 C2' DA A 14 1.893 6.391 3.945 1.00 1.03 C ATOM 431 C1' DA A 14 0.573 7.097 3.743 1.00 1.03 C ATOM 432 N9 DA A 14 -0.114 6.765 2.491 1.00 0.98 N ATOM 433 C8 DA A 14 0.453 6.384 1.303 1.00 0.89 C ATOM 434 N7 DA A 14 -0.416 6.152 0.351 1.00 0.88 N ATOM 435 C5 DA A 14 -1.643 6.399 0.950 1.00 0.98 C ATOM 436 C6 DA A 14 -2.974 6.336 0.470 1.00 1.08 C ATOM 437 N6 DA A 14 -3.294 6.005 -0.783 1.00 1.03 N ATOM 438 N1 DA A 14 -3.974 6.643 1.334 1.00 1.26 N ATOM 439 C2 DA A 14 -3.650 6.994 2.592 1.00 1.33 C ATOM 440 N3 DA A 14 -2.441 7.092 3.158 1.00 1.23 N ATOM 441 C4 DA A 14 -1.469 6.778 2.274 1.00 1.06 C ATOM 0 H5' DA A 14 2.234 10.518 3.678 1.00 1.04 H new ATOM 0 H5'' DA A 14 3.091 10.411 5.203 1.00 1.04 H new ATOM 0 H4' DA A 14 1.533 8.977 5.706 1.00 1.06 H new ATOM 0 H3' DA A 14 3.698 7.363 4.705 1.00 1.01 H new ATOM 0 H2' DA A 14 2.435 6.270 3.007 1.00 1.03 H new ATOM 0 H2'' DA A 14 1.759 5.395 4.367 1.00 1.03 H new ATOM 0 H1' DA A 14 -0.119 6.799 4.530 1.00 1.03 H new ATOM 0 H8 DA A 14 1.519 6.284 1.164 1.00 0.89 H new ATOM 0 H61 DA A 14 -4.273 5.977 -1.069 1.00 1.03 H new ATOM 0 H62 DA A 14 -2.560 5.780 -1.454 1.00 1.03 H new ATOM 0 H2 DA A 14 -4.484 7.230 3.236 1.00 1.33 H new HETATM 453 P BGM A 15 2.938 5.383 6.724 1.00 1.06 P HETATM 454 OP1 BGM A 15 3.510 5.443 8.094 1.00 1.22 O HETATM 455 OP2 BGM A 15 3.776 4.780 5.657 1.00 1.01 O HETATM 456 O5' BGM A 15 1.544 4.607 6.781 1.00 0.94 O HETATM 457 C5' BGM A 15 0.474 5.068 7.600 1.00 1.03 C HETATM 458 C4' BGM A 15 -0.806 4.303 7.323 1.00 0.91 C HETATM 459 O4' BGM A 15 -1.199 4.493 5.935 1.00 0.87 O HETATM 460 C1' BGM A 15 -1.652 3.258 5.432 1.00 0.75 C HETATM 461 N9 BGM A 15 -1.578 3.279 3.959 1.00 0.72 N HETATM 462 C8 BGM A 15 -2.631 3.208 3.079 1.00 0.75 C HETATM 463 N7 BGM A 15 -2.279 3.158 1.831 1.00 0.72 N HETATM 464 C5 BGM A 15 -0.896 3.208 1.870 1.00 0.65 C HETATM 465 C4 BGM A 15 -0.440 3.288 3.177 1.00 0.66 C HETATM 466 N3 BGM A 15 0.844 3.358 3.611 1.00 0.64 N HETATM 467 C2 BGM A 15 1.718 3.350 2.604 1.00 0.59 C HETATM 468 N2 BGM A 15 3.031 3.446 2.865 1.00 0.57 N HETATM 469 N1 BGM A 15 1.361 3.268 1.273 1.00 0.57 N HETATM 470 C6 BGM A 15 0.047 3.190 0.807 1.00 0.60 C HETATM 471 O6 BGM A 15 -0.177 3.116 -0.402 1.00 0.59 O HETATM 472 C2' BGM A 15 -0.767 2.236 6.105 1.00 0.75 C HETATM 473 C3' BGM A 15 -0.717 2.780 7.523 1.00 0.84 C HETATM 474 O3' BGM A 15 -1.850 2.309 8.284 1.00 0.83 O HETATM 475 BR BGM A 15 -4.453 3.206 3.615 1.00 0.81 BR HETATM 0 H5'' BGM A 15 0.745 4.959 8.650 1.00 1.03 H new HETATM 0 H2'' BGM A 15 -1.191 1.233 6.063 1.00 0.75 H new HETATM 0 H5' BGM A 15 0.310 6.131 7.422 1.00 1.03 H new HETATM 0 H4' BGM A 15 -1.518 4.703 8.045 1.00 0.91 H new HETATM 0 H3' BGM A 15 0.174 2.469 8.069 1.00 0.84 H new HETATM 0 H22 BGM A 15 3.705 3.440 2.099 1.00 0.57 H new HETATM 0 H21 BGM A 15 3.355 3.524 3.829 1.00 0.57 H new HETATM 0 H2' BGM A 15 0.222 2.183 5.649 1.00 0.75 H new HETATM 0 H1' BGM A 15 -2.695 3.025 5.645 1.00 0.75 H new HETATM 0 H1 BGM A 15 2.110 3.264 0.581 1.00 0.57 H new ATOM 486 P DG A 16 -1.942 0.768 8.759 1.00 0.81 P ATOM 487 OP1 DG A 16 -2.731 0.697 10.017 1.00 0.97 O ATOM 488 OP2 DG A 16 -0.575 0.189 8.777 1.00 0.93 O ATOM 489 O5' DG A 16 -2.781 0.081 7.585 1.00 0.65 O ATOM 490 C5' DG A 16 -4.195 0.253 7.480 1.00 0.65 C ATOM 491 C4' DG A 16 -4.704 -0.165 6.111 1.00 0.61 C ATOM 492 O4' DG A 16 -3.874 0.408 5.091 1.00 0.62 O ATOM 493 C3' DG A 16 -4.678 -1.667 5.829 1.00 0.57 C ATOM 494 O3' DG A 16 -5.967 -2.248 6.110 1.00 0.65 O ATOM 495 C2' DG A 16 -4.357 -1.767 4.333 1.00 0.58 C ATOM 496 C1' DG A 16 -4.036 -0.339 3.906 1.00 0.57 C ATOM 497 N9 DG A 16 -2.810 -0.219 3.107 1.00 0.56 N ATOM 498 C8 DG A 16 -1.521 -0.134 3.578 1.00 0.57 C ATOM 499 N7 DG A 16 -0.629 -0.081 2.631 1.00 0.57 N ATOM 500 C5 DG A 16 -1.368 -0.135 1.462 1.00 0.55 C ATOM 501 C6 DG A 16 -0.935 -0.116 0.109 1.00 0.56 C ATOM 502 O6 DG A 16 0.218 -0.044 -0.311 1.00 0.57 O ATOM 503 N1 DG A 16 -2.008 -0.192 -0.785 1.00 0.57 N ATOM 504 C2 DG A 16 -3.338 -0.272 -0.418 1.00 0.57 C ATOM 505 N2 DG A 16 -4.242 -0.336 -1.417 1.00 0.60 N ATOM 506 N3 DG A 16 -3.752 -0.290 0.852 1.00 0.56 N ATOM 507 C4 DG A 16 -2.719 -0.220 1.734 1.00 0.55 C ATOM 0 H5' DG A 16 -4.451 1.297 7.662 1.00 0.65 H new ATOM 0 H5'' DG A 16 -4.693 -0.336 8.250 1.00 0.65 H new ATOM 0 H4' DG A 16 -5.739 0.178 6.105 1.00 0.61 H new ATOM 0 H3' DG A 16 -3.953 -2.199 6.445 1.00 0.57 H new ATOM 0 H2' DG A 16 -3.513 -2.433 4.153 1.00 0.58 H new ATOM 0 H2'' DG A 16 -5.203 -2.167 3.773 1.00 0.58 H new ATOM 0 H1' DG A 16 -4.848 0.018 3.273 1.00 0.57 H new ATOM 0 H8 DG A 16 -1.273 -0.113 4.629 1.00 0.57 H new ATOM 0 H1 DG A 16 -1.793 -0.188 -1.782 1.00 0.57 H new ATOM 0 H21 DG A 16 -5.237 -0.396 -1.201 1.00 0.60 H new ATOM 0 H22 DG A 16 -3.930 -0.324 -2.388 1.00 0.60 H new ATOM 519 P DG A 17 -6.265 -3.800 5.771 1.00 0.66 P ATOM 520 OP1 DG A 17 -7.357 -4.285 6.654 1.00 0.76 O ATOM 521 OP2 DG A 17 -4.984 -4.550 5.791 1.00 0.77 O ATOM 522 O5' DG A 17 -6.809 -3.735 4.268 1.00 0.64 O ATOM 523 C5' DG A 17 -7.856 -2.840 3.907 1.00 0.61 C ATOM 524 C4' DG A 17 -8.072 -2.797 2.407 1.00 0.59 C ATOM 525 O4' DG A 17 -6.831 -2.449 1.746 1.00 0.56 O ATOM 526 C3' DG A 17 -8.527 -4.114 1.780 1.00 0.60 C ATOM 527 O3' DG A 17 -9.585 -3.869 0.840 1.00 0.68 O ATOM 528 C2' DG A 17 -7.292 -4.628 1.066 1.00 0.56 C ATOM 529 C1' DG A 17 -6.591 -3.346 0.681 1.00 0.53 C ATOM 530 N9 DG A 17 -5.144 -3.492 0.518 1.00 0.48 N ATOM 531 C8 DG A 17 -4.226 -3.629 1.524 1.00 0.46 C ATOM 532 N7 DG A 17 -3.004 -3.734 1.091 1.00 0.45 N ATOM 533 C5 DG A 17 -3.115 -3.669 -0.283 1.00 0.45 C ATOM 534 C6 DG A 17 -2.109 -3.734 -1.285 1.00 0.47 C ATOM 535 O6 DG A 17 -0.890 -3.859 -1.129 1.00 0.49 O ATOM 536 N1 DG A 17 -2.652 -3.632 -2.571 1.00 0.48 N ATOM 537 C2 DG A 17 -3.999 -3.487 -2.847 1.00 0.51 C ATOM 538 N2 DG A 17 -4.343 -3.419 -4.144 1.00 0.56 N ATOM 539 N3 DG A 17 -4.946 -3.422 -1.912 1.00 0.51 N ATOM 540 C4 DG A 17 -4.436 -3.520 -0.660 1.00 0.47 C ATOM 0 H5' DG A 17 -7.619 -1.839 4.268 1.00 0.61 H new ATOM 0 H5'' DG A 17 -8.780 -3.145 4.398 1.00 0.61 H new ATOM 0 H4' DG A 17 -8.865 -2.062 2.268 1.00 0.59 H new ATOM 0 H3' DG A 17 -8.912 -4.824 2.512 1.00 0.60 H new ATOM 0 H2' DG A 17 -6.676 -5.250 1.715 1.00 0.56 H new ATOM 0 H2'' DG A 17 -7.547 -5.231 0.194 1.00 0.56 H new ATOM 0 H1' DG A 17 -6.972 -3.009 -0.283 1.00 0.53 H new ATOM 0 H8 DG A 17 -4.490 -3.648 2.571 1.00 0.46 H new ATOM 0 H1 DG A 17 -2.008 -3.667 -3.361 1.00 0.48 H new ATOM 0 H21 DG A 17 -5.323 -3.312 -4.407 1.00 0.56 H new ATOM 0 H22 DG A 17 -3.624 -3.474 -4.866 1.00 0.56 H new ATOM 552 P DT A 18 -10.612 -5.041 0.437 1.00 0.67 P ATOM 553 OP1 DT A 18 -10.854 -5.907 1.620 1.00 0.79 O ATOM 554 OP2 DT A 18 -10.129 -5.693 -0.806 1.00 1.01 O ATOM 555 O5' DT A 18 -11.943 -4.224 0.111 1.00 0.69 O ATOM 556 C5' DT A 18 -12.357 -3.125 0.917 1.00 0.56 C ATOM 557 C4' DT A 18 -13.224 -3.599 2.063 1.00 0.57 C ATOM 558 O4' DT A 18 -12.401 -3.788 3.249 1.00 0.57 O ATOM 559 C3' DT A 18 -14.323 -2.616 2.486 1.00 0.64 C ATOM 560 O3' DT A 18 -15.505 -3.342 2.879 1.00 0.80 O ATOM 561 C2' DT A 18 -13.701 -1.927 3.688 1.00 0.61 C ATOM 562 C1' DT A 18 -13.001 -3.105 4.331 1.00 0.62 C ATOM 563 N1 DT A 18 -11.963 -2.781 5.328 1.00 0.70 N ATOM 564 C2 DT A 18 -11.948 -3.518 6.506 1.00 0.89 C ATOM 565 O2 DT A 18 -12.746 -4.411 6.742 1.00 0.99 O ATOM 566 N3 DT A 18 -10.960 -3.165 7.399 1.00 1.06 N ATOM 567 C4 DT A 18 -10.008 -2.172 7.235 1.00 1.08 C ATOM 568 O4 DT A 18 -9.181 -1.965 8.121 1.00 1.31 O ATOM 569 C5 DT A 18 -10.081 -1.441 5.980 1.00 0.90 C ATOM 570 C7 DT A 18 -9.092 -0.353 5.722 1.00 0.97 C ATOM 571 C6 DT A 18 -11.041 -1.776 5.096 1.00 0.70 C ATOM 0 H5' DT A 18 -12.909 -2.409 0.308 1.00 0.56 H new ATOM 0 H5'' DT A 18 -11.483 -2.604 1.307 1.00 0.56 H new ATOM 0 H4' DT A 18 -13.691 -4.512 1.694 1.00 0.57 H new ATOM 0 H3' DT A 18 -14.629 -1.926 1.699 1.00 0.64 H new ATOM 0 H2' DT A 18 -13.008 -1.135 3.403 1.00 0.61 H new ATOM 0 H2'' DT A 18 -14.447 -1.477 4.343 1.00 0.61 H new ATOM 0 H1' DT A 18 -13.737 -3.674 4.900 1.00 0.62 H new ATOM 0 H3 DT A 18 -10.926 -3.690 8.273 1.00 1.06 H new ATOM 0 H71 DT A 18 -8.909 -0.275 4.650 1.00 0.97 H new ATOM 0 H72 DT A 18 -9.487 0.593 6.093 1.00 0.97 H new ATOM 0 H73 DT A 18 -8.157 -0.582 6.234 1.00 0.97 H new ATOM 0 H6 DT A 18 -11.093 -1.235 4.163 1.00 0.70 H new ATOM 584 P DT A 19 -16.975 -2.745 2.601 1.00 1.06 P ATOM 585 OP1 DT A 19 -17.953 -3.459 3.462 1.00 1.55 O ATOM 586 OP2 DT A 19 -17.221 -2.748 1.137 1.00 1.58 O ATOM 587 O5' DT A 19 -16.841 -1.238 3.112 1.00 1.14 O ATOM 588 C5' DT A 19 -17.833 -0.254 2.822 1.00 1.40 C ATOM 589 C4' DT A 19 -17.234 0.906 2.053 1.00 1.55 C ATOM 590 O4' DT A 19 -16.329 1.640 2.920 1.00 1.57 O ATOM 591 C3' DT A 19 -16.400 0.503 0.829 1.00 1.42 C ATOM 592 O3' DT A 19 -16.826 1.226 -0.338 1.00 1.89 O ATOM 593 C2' DT A 19 -14.981 0.897 1.206 1.00 1.33 C ATOM 594 C1' DT A 19 -15.206 2.039 2.166 1.00 1.52 C ATOM 595 N1 DT A 19 -14.076 2.308 3.084 1.00 1.51 N ATOM 596 C2 DT A 19 -14.285 3.135 4.185 1.00 1.98 C ATOM 597 O2 DT A 19 -15.362 3.647 4.446 1.00 2.33 O ATOM 598 N3 DT A 19 -13.170 3.346 4.970 1.00 2.06 N ATOM 599 C4 DT A 19 -11.898 2.829 4.770 1.00 1.73 C ATOM 600 O4 DT A 19 -10.996 3.104 5.556 1.00 1.91 O ATOM 601 C5 DT A 19 -11.752 1.977 3.599 1.00 1.21 C ATOM 602 C7 DT A 19 -10.412 1.384 3.296 1.00 0.85 C ATOM 603 C6 DT A 19 -12.826 1.758 2.826 1.00 1.14 C ATOM 0 H5' DT A 19 -18.274 0.109 3.751 1.00 1.40 H new ATOM 0 H5'' DT A 19 -18.638 -0.704 2.241 1.00 1.40 H new ATOM 0 H4' DT A 19 -18.091 1.487 1.712 1.00 1.55 H new ATOM 0 H3' DT A 19 -16.497 -0.556 0.588 1.00 1.42 H new ATOM 0 H2' DT A 19 -14.441 0.073 1.674 1.00 1.33 H new ATOM 0 H2'' DT A 19 -14.400 1.206 0.337 1.00 1.33 H new ATOM 0 H1' DT A 19 -15.331 2.966 1.606 1.00 1.52 H new ATOM 0 H3 DT A 19 -13.294 3.947 5.785 1.00 2.06 H new ATOM 0 H71 DT A 19 -10.543 0.428 2.788 1.00 0.85 H new ATOM 0 H72 DT A 19 -9.851 2.062 2.653 1.00 0.85 H new ATOM 0 H73 DT A 19 -9.864 1.229 4.225 1.00 0.85 H new ATOM 0 H6 DT A 19 -12.714 1.123 1.960 1.00 1.14 H new ATOM 616 P DA A 20 -16.433 0.683 -1.804 1.00 2.09 P ATOM 617 OP1 DA A 20 -16.975 1.617 -2.824 1.00 2.76 O ATOM 618 OP2 DA A 20 -16.825 -0.745 -1.906 1.00 2.19 O ATOM 619 O5' DA A 20 -14.838 0.796 -1.799 1.00 1.67 O ATOM 620 C5' DA A 20 -13.992 -0.359 -1.773 1.00 1.27 C ATOM 621 C4' DA A 20 -12.618 -0.058 -2.361 1.00 1.10 C ATOM 622 O4' DA A 20 -12.735 0.956 -3.392 1.00 1.26 O ATOM 623 C3' DA A 20 -11.598 0.518 -1.384 1.00 0.80 C ATOM 624 O3' DA A 20 -10.255 0.291 -1.866 1.00 0.97 O ATOM 625 C2' DA A 20 -11.944 1.993 -1.419 1.00 0.92 C ATOM 626 C1' DA A 20 -12.275 2.210 -2.893 1.00 1.08 C ATOM 627 N9 DA A 20 -13.318 3.218 -3.141 1.00 1.54 N ATOM 628 C8 DA A 20 -14.200 3.759 -2.235 1.00 1.60 C ATOM 629 N7 DA A 20 -15.021 4.638 -2.756 1.00 2.22 N ATOM 630 C5 DA A 20 -14.659 4.683 -4.097 1.00 2.75 C ATOM 631 C6 DA A 20 -15.151 5.427 -5.197 1.00 3.71 C ATOM 632 N6 DA A 20 -16.156 6.304 -5.110 1.00 4.18 N ATOM 633 N1 DA A 20 -14.564 5.233 -6.406 1.00 4.27 N ATOM 634 C2 DA A 20 -13.553 4.349 -6.494 1.00 3.90 C ATOM 635 N3 DA A 20 -13.004 3.594 -5.536 1.00 2.98 N ATOM 636 C4 DA A 20 -13.608 3.809 -4.347 1.00 2.40 C ATOM 0 H5' DA A 20 -14.460 -1.167 -2.335 1.00 1.27 H new ATOM 0 H5'' DA A 20 -13.881 -0.707 -0.746 1.00 1.27 H new ATOM 0 H4' DA A 20 -12.271 -1.031 -2.710 1.00 1.10 H new ATOM 0 H3' DA A 20 -11.631 0.079 -0.387 1.00 0.80 H new ATOM 0 H2' DA A 20 -12.789 2.229 -0.773 1.00 0.92 H new ATOM 0 H2'' DA A 20 -11.110 2.615 -1.093 1.00 0.92 H new ATOM 0 H1' DA A 20 -11.377 2.581 -3.386 1.00 1.08 H new ATOM 0 H8 DA A 20 -14.215 3.485 -1.190 1.00 1.60 H new ATOM 0 H61 DA A 20 -16.465 6.810 -5.940 1.00 4.18 H new ATOM 0 H62 DA A 20 -16.614 6.468 -4.213 1.00 4.18 H new ATOM 0 H2 DA A 20 -13.124 4.233 -7.478 1.00 3.90 H new ATOM 648 P DG A 21 -8.975 0.577 -0.922 1.00 1.19 P ATOM 649 OP1 DG A 21 -8.267 -0.704 -0.669 1.00 1.50 O ATOM 650 OP2 DG A 21 -9.407 1.363 0.257 1.00 1.58 O ATOM 651 O5' DG A 21 -8.046 1.493 -1.848 1.00 0.95 O ATOM 652 C5' DG A 21 -8.344 2.869 -2.102 1.00 0.99 C ATOM 653 C4' DG A 21 -8.540 3.119 -3.586 1.00 0.83 C ATOM 654 O4' DG A 21 -7.372 3.810 -4.113 1.00 0.78 O ATOM 655 C3' DG A 21 -8.679 1.855 -4.435 1.00 0.82 C ATOM 656 O3' DG A 21 -9.544 2.088 -5.561 1.00 0.91 O ATOM 657 C2' DG A 21 -7.258 1.611 -4.892 1.00 0.66 C ATOM 658 C1' DG A 21 -6.758 3.021 -5.123 1.00 0.63 C ATOM 659 N9 DG A 21 -5.294 3.171 -5.021 1.00 0.60 N ATOM 660 C8 DG A 21 -4.403 3.333 -6.059 1.00 0.60 C ATOM 661 N7 DG A 21 -3.171 3.402 -5.667 1.00 0.58 N ATOM 662 C5 DG A 21 -3.228 3.284 -4.299 1.00 0.56 C ATOM 663 C6 DG A 21 -2.178 3.295 -3.348 1.00 0.56 C ATOM 664 O6 DG A 21 -0.965 3.404 -3.559 1.00 0.56 O ATOM 665 N1 DG A 21 -2.663 3.155 -2.043 1.00 0.60 N ATOM 666 C2 DG A 21 -4.000 3.018 -1.712 1.00 0.62 C ATOM 667 N2 DG A 21 -4.292 2.917 -0.408 1.00 0.70 N ATOM 668 N3 DG A 21 -4.986 3.002 -2.604 1.00 0.61 N ATOM 669 C4 DG A 21 -4.532 3.141 -3.872 1.00 0.58 C ATOM 0 H5' DG A 21 -7.534 3.495 -1.728 1.00 0.99 H new ATOM 0 H5'' DG A 21 -9.245 3.156 -1.559 1.00 0.99 H new ATOM 0 H4' DG A 21 -9.467 3.689 -3.653 1.00 0.83 H new ATOM 0 H3' DG A 21 -9.116 1.014 -3.897 1.00 0.82 H new ATOM 0 H2' DG A 21 -6.670 1.088 -4.138 1.00 0.66 H new ATOM 0 H2'' DG A 21 -7.219 1.010 -5.800 1.00 0.66 H new ATOM 0 H1' DG A 21 -7.009 3.321 -6.140 1.00 0.63 H new ATOM 0 H8 DG A 21 -4.702 3.396 -7.095 1.00 0.60 H new ATOM 0 H1 DG A 21 -1.984 3.154 -1.282 1.00 0.60 H new ATOM 0 H21 DG A 21 -5.262 2.814 -0.109 1.00 0.70 H new ATOM 0 H22 DG A 21 -3.544 2.943 0.285 1.00 0.70 H new ATOM 681 P DG A 22 -10.199 0.842 -6.350 1.00 1.10 P ATOM 682 OP1 DG A 22 -11.185 1.357 -7.333 1.00 1.31 O ATOM 683 OP2 DG A 22 -10.676 -0.155 -5.359 1.00 1.41 O ATOM 684 O5' DG A 22 -8.951 0.233 -7.139 1.00 0.89 O ATOM 685 C5' DG A 22 -8.466 0.837 -8.333 1.00 0.91 C ATOM 686 C4' DG A 22 -7.142 0.235 -8.757 1.00 0.82 C ATOM 687 O4' DG A 22 -6.133 0.541 -7.788 1.00 0.75 O ATOM 688 C3' DG A 22 -7.121 -1.290 -8.902 1.00 0.80 C ATOM 689 O3' DG A 22 -7.043 -1.642 -10.296 1.00 0.96 O ATOM 690 C2' DG A 22 -5.856 -1.732 -8.156 1.00 0.70 C ATOM 691 C1' DG A 22 -5.122 -0.429 -7.899 1.00 0.68 C ATOM 692 N9 DG A 22 -4.344 -0.414 -6.665 1.00 0.63 N ATOM 693 C8 DG A 22 -4.853 -0.438 -5.402 1.00 0.62 C ATOM 694 N7 DG A 22 -3.937 -0.403 -4.469 1.00 0.57 N ATOM 695 C5 DG A 22 -2.744 -0.358 -5.178 1.00 0.55 C ATOM 696 C6 DG A 22 -1.401 -0.309 -4.714 1.00 0.53 C ATOM 697 O6 DG A 22 -1.006 -0.301 -3.551 1.00 0.54 O ATOM 698 N1 DG A 22 -0.484 -0.274 -5.771 1.00 0.54 N ATOM 699 C2 DG A 22 -0.827 -0.284 -7.110 1.00 0.57 C ATOM 700 N2 DG A 22 0.183 -0.252 -7.996 1.00 0.59 N ATOM 701 N3 DG A 22 -2.081 -0.329 -7.552 1.00 0.60 N ATOM 702 C4 DG A 22 -2.981 -0.363 -6.539 1.00 0.59 C ATOM 0 H5' DG A 22 -8.347 1.909 -8.178 1.00 0.91 H new ATOM 0 H5'' DG A 22 -9.198 0.709 -9.131 1.00 0.91 H new ATOM 0 H4' DG A 22 -6.965 0.673 -9.739 1.00 0.82 H new ATOM 0 H3' DG A 22 -8.015 -1.768 -8.502 1.00 0.80 H new ATOM 0 H2' DG A 22 -6.098 -2.247 -7.226 1.00 0.70 H new ATOM 0 H2'' DG A 22 -5.257 -2.419 -8.754 1.00 0.70 H new ATOM 0 H1' DG A 22 -4.408 -0.260 -8.705 1.00 0.68 H new ATOM 0 H8 DG A 22 -5.911 -0.482 -5.191 1.00 0.62 H new ATOM 0 H1 DG A 22 0.508 -0.239 -5.536 1.00 0.54 H new ATOM 0 H21 DG A 22 -0.016 -0.258 -8.996 1.00 0.59 H new ATOM 0 H22 DG A 22 1.148 -0.222 -7.668 1.00 0.59 H new ATOM 714 P DG A 23 -7.042 -3.187 -10.755 1.00 1.03 P ATOM 715 OP1 DG A 23 -7.632 -3.287 -12.114 1.00 1.28 O ATOM 716 OP2 DG A 23 -7.655 -4.010 -9.680 1.00 1.18 O ATOM 717 O5' DG A 23 -5.484 -3.518 -10.839 1.00 0.83 O ATOM 718 C5' DG A 23 -4.653 -2.919 -11.830 1.00 0.82 C ATOM 719 C4' DG A 23 -3.292 -3.581 -11.869 1.00 0.77 C ATOM 720 O4' DG A 23 -2.516 -3.153 -10.718 1.00 0.74 O ATOM 721 C3' DG A 23 -3.320 -5.112 -11.814 1.00 0.82 C ATOM 722 O3' DG A 23 -2.394 -5.662 -12.768 1.00 0.98 O ATOM 723 C2' DG A 23 -2.887 -5.429 -10.392 1.00 0.75 C ATOM 724 C1' DG A 23 -1.955 -4.279 -10.072 1.00 0.70 C ATOM 725 N9 DG A 23 -1.840 -3.986 -8.639 1.00 0.61 N ATOM 726 C8 DG A 23 -2.876 -3.878 -7.743 1.00 0.61 C ATOM 727 N7 DG A 23 -2.478 -3.651 -6.523 1.00 0.54 N ATOM 728 C5 DG A 23 -1.098 -3.607 -6.614 1.00 0.48 C ATOM 729 C6 DG A 23 -0.124 -3.397 -5.601 1.00 0.43 C ATOM 730 O6 DG A 23 -0.309 -3.216 -4.395 1.00 0.44 O ATOM 731 N1 DG A 23 1.177 -3.429 -6.114 1.00 0.43 N ATOM 732 C2 DG A 23 1.497 -3.635 -7.439 1.00 0.47 C ATOM 733 N2 DG A 23 2.809 -3.626 -7.748 1.00 0.47 N ATOM 734 N3 DG A 23 0.590 -3.835 -8.398 1.00 0.52 N ATOM 735 C4 DG A 23 -0.681 -3.809 -7.916 1.00 0.53 C ATOM 0 H5' DG A 23 -4.538 -1.856 -11.619 1.00 0.82 H new ATOM 0 H5'' DG A 23 -5.129 -3.001 -12.807 1.00 0.82 H new ATOM 0 H4' DG A 23 -2.863 -3.282 -12.825 1.00 0.77 H new ATOM 0 H3' DG A 23 -4.296 -5.533 -12.058 1.00 0.82 H new ATOM 0 H2' DG A 23 -3.735 -5.467 -9.708 1.00 0.75 H new ATOM 0 H2'' DG A 23 -2.381 -6.392 -10.327 1.00 0.75 H new ATOM 0 H1' DG A 23 -0.949 -4.534 -10.405 1.00 0.70 H new ATOM 0 H8 DG A 23 -3.915 -3.972 -8.022 1.00 0.61 H new ATOM 0 H1 DG A 23 1.946 -3.290 -5.459 1.00 0.43 H new ATOM 0 H21 DG A 23 3.107 -3.773 -8.712 1.00 0.47 H new ATOM 0 H22 DG A 23 3.504 -3.472 -7.017 1.00 0.47 H new ATOM 747 P DT A 24 -2.365 -7.247 -13.057 1.00 1.11 P ATOM 748 OP1 DT A 24 -1.734 -7.484 -14.382 1.00 1.37 O ATOM 749 OP2 DT A 24 -3.724 -7.803 -12.834 1.00 1.14 O ATOM 750 O5' DT A 24 -1.389 -7.786 -11.917 1.00 1.03 O ATOM 751 C5' DT A 24 -0.022 -7.390 -11.871 1.00 1.11 C ATOM 752 C4' DT A 24 0.620 -7.805 -10.564 1.00 0.92 C ATOM 753 O4' DT A 24 0.077 -7.038 -9.485 1.00 0.80 O ATOM 754 C3' DT A 24 0.392 -9.257 -10.153 1.00 0.85 C ATOM 755 O3' DT A 24 1.506 -10.063 -10.577 1.00 0.91 O ATOM 756 C2' DT A 24 0.300 -9.204 -8.622 1.00 0.67 C ATOM 757 C1' DT A 24 0.380 -7.716 -8.289 1.00 0.61 C ATOM 758 N1 DT A 24 -0.565 -7.278 -7.255 1.00 0.52 N ATOM 759 C2 DT A 24 -0.062 -6.732 -6.083 1.00 0.44 C ATOM 760 O2 DT A 24 1.128 -6.592 -5.868 1.00 0.44 O ATOM 761 N3 DT A 24 -1.016 -6.360 -5.165 1.00 0.44 N ATOM 762 C4 DT A 24 -2.390 -6.479 -5.299 1.00 0.50 C ATOM 763 O4 DT A 24 -3.127 -6.110 -4.391 1.00 0.54 O ATOM 764 C5 DT A 24 -2.842 -7.058 -6.550 1.00 0.56 C ATOM 765 C7 DT A 24 -4.303 -7.224 -6.778 1.00 0.64 C ATOM 766 C6 DT A 24 -1.924 -7.424 -7.457 1.00 0.58 C ATOM 0 H5' DT A 24 0.051 -6.309 -11.989 1.00 1.11 H new ATOM 0 H5'' DT A 24 0.519 -7.839 -12.704 1.00 1.11 H new ATOM 0 H4' DT A 24 1.684 -7.647 -10.743 1.00 0.92 H new ATOM 0 H3' DT A 24 -0.499 -9.696 -10.601 1.00 0.85 H new ATOM 0 H2' DT A 24 -0.632 -9.642 -8.264 1.00 0.67 H new ATOM 0 H2'' DT A 24 1.113 -9.760 -8.155 1.00 0.67 H new ATOM 0 H1' DT A 24 1.373 -7.504 -7.893 1.00 0.61 H new ATOM 0 H3 DT A 24 -0.676 -5.954 -4.293 1.00 0.44 H new ATOM 0 H71 DT A 24 -4.805 -7.382 -5.823 1.00 0.64 H new ATOM 0 H72 DT A 24 -4.701 -6.327 -7.253 1.00 0.64 H new ATOM 0 H73 DT A 24 -4.475 -8.084 -7.425 1.00 0.64 H new ATOM 0 H6 DT A 24 -2.263 -7.853 -8.388 1.00 0.58 H new ATOM 779 P DT A 25 1.566 -11.635 -10.221 1.00 0.91 P ATOM 780 OP1 DT A 25 2.408 -12.326 -11.231 1.00 1.11 O ATOM 781 OP2 DT A 25 0.182 -12.137 -10.020 1.00 0.97 O ATOM 782 O5' DT A 25 2.330 -11.639 -8.821 1.00 0.72 O ATOM 783 C5' DT A 25 3.555 -10.932 -8.645 1.00 0.70 C ATOM 784 C4' DT A 25 4.247 -11.353 -7.365 1.00 0.64 C ATOM 785 O4' DT A 25 3.533 -10.794 -6.237 1.00 0.51 O ATOM 786 C3' DT A 25 4.307 -12.861 -7.133 1.00 0.78 C ATOM 787 O3' DT A 25 5.593 -13.247 -6.640 1.00 0.91 O ATOM 788 C2' DT A 25 3.230 -13.132 -6.096 1.00 0.73 C ATOM 789 C1' DT A 25 3.107 -11.812 -5.349 1.00 0.57 C ATOM 790 N1 DT A 25 1.735 -11.504 -4.920 1.00 0.51 N ATOM 791 C2 DT A 25 1.511 -11.167 -3.594 1.00 0.61 C ATOM 792 O2 DT A 25 2.401 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