USER MOD reduce.3.24.130724 H: found=0, std=0, add=235, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 235 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 12 DT C7 :methyl -30:sc= -2.21 (180deg=-4.17!) USER MOD Single : A 21 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 21 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 11.835 10.505 -0.870 1.00 2.06 O ATOM 2 C5' DC A 1 12.245 9.189 -1.212 1.00 1.67 C ATOM 3 C4' DC A 1 11.356 8.157 -0.552 1.00 1.23 C ATOM 4 O4' DC A 1 10.037 8.210 -1.158 1.00 1.10 O ATOM 5 C3' DC A 1 11.836 6.702 -0.705 1.00 0.84 C ATOM 6 O3' DC A 1 11.741 6.009 0.547 1.00 0.85 O ATOM 7 C2' DC A 1 10.873 6.105 -1.721 1.00 0.78 C ATOM 8 C1' DC A 1 9.604 6.906 -1.481 1.00 0.83 C ATOM 9 N1 DC A 1 8.690 6.988 -2.638 1.00 0.86 N ATOM 10 C2 DC A 1 7.307 6.807 -2.429 1.00 0.86 C ATOM 11 O2 DC A 1 6.897 6.593 -1.275 1.00 0.93 O ATOM 12 N3 DC A 1 6.456 6.877 -3.491 1.00 0.92 N ATOM 13 C4 DC A 1 6.938 7.115 -4.722 1.00 1.05 C ATOM 14 N4 DC A 1 6.074 7.182 -5.733 1.00 1.18 N ATOM 15 C5 DC A 1 8.337 7.302 -4.963 1.00 1.14 C ATOM 16 C6 DC A 1 9.168 7.232 -3.905 1.00 1.01 C ATOM 0 H5' DC A 1 13.279 9.034 -0.904 1.00 1.67 H new ATOM 0 H5'' DC A 1 12.213 9.064 -2.294 1.00 1.67 H new ATOM 0 H4' DC A 1 11.366 8.409 0.508 1.00 1.23 H new ATOM 0 H3' DC A 1 12.877 6.630 -1.019 1.00 0.84 H new ATOM 0 H2' DC A 1 11.238 6.219 -2.742 1.00 0.78 H new ATOM 0 H2'' DC A 1 10.718 5.039 -1.555 1.00 0.78 H new ATOM 0 HO5' DC A 1 12.424 11.155 -1.306 1.00 2.06 H new ATOM 0 H1' DC A 1 9.030 6.409 -0.699 1.00 0.83 H new ATOM 0 H41 DC A 1 6.409 7.361 -6.679 1.00 1.18 H new ATOM 0 H42 DC A 1 5.077 7.054 -5.561 1.00 1.18 H new ATOM 0 H5 DC A 1 8.713 7.492 -5.958 1.00 1.14 H new ATOM 0 H6 DC A 1 10.229 7.370 -4.054 1.00 1.01 H new ATOM 29 P DG A 2 12.800 4.851 0.889 1.00 1.22 P ATOM 30 OP1 DG A 2 14.055 5.475 1.382 1.00 1.73 O ATOM 31 OP2 DG A 2 12.901 3.938 -0.277 1.00 1.58 O ATOM 32 O5' DG A 2 12.099 4.076 2.095 1.00 1.20 O ATOM 33 C5' DG A 2 12.169 4.557 3.436 1.00 1.30 C ATOM 34 C4' DG A 2 10.933 4.172 4.226 1.00 1.21 C ATOM 35 O4' DG A 2 9.741 4.543 3.474 1.00 1.04 O ATOM 36 C3' DG A 2 10.781 2.670 4.516 1.00 1.21 C ATOM 37 O3' DG A 2 10.157 2.484 5.795 1.00 1.29 O ATOM 38 C2' DG A 2 9.872 2.210 3.386 1.00 1.04 C ATOM 39 C1' DG A 2 8.939 3.395 3.243 1.00 0.92 C ATOM 40 N9 DG A 2 8.312 3.519 1.921 1.00 0.76 N ATOM 41 C8 DG A 2 8.943 3.612 0.704 1.00 0.75 C ATOM 42 N7 DG A 2 8.110 3.708 -0.300 1.00 0.65 N ATOM 43 C5 DG A 2 6.856 3.676 0.290 1.00 0.57 C ATOM 44 C6 DG A 2 5.557 3.740 -0.296 1.00 0.49 C ATOM 45 O6 DG A 2 5.266 3.839 -1.494 1.00 0.49 O ATOM 46 N1 DG A 2 4.544 3.670 0.672 1.00 0.46 N ATOM 47 C2 DG A 2 4.768 3.554 2.033 1.00 0.53 C ATOM 48 N2 DG A 2 3.692 3.493 2.830 1.00 0.54 N ATOM 49 N3 DG A 2 5.977 3.495 2.582 1.00 0.62 N ATOM 50 C4 DG A 2 6.967 3.560 1.662 1.00 0.63 C ATOM 0 H5' DG A 2 12.276 5.642 3.430 1.00 1.30 H new ATOM 0 H5'' DG A 2 13.056 4.152 3.924 1.00 1.30 H new ATOM 0 H4' DG A 2 11.047 4.696 5.175 1.00 1.21 H new ATOM 0 H3' DG A 2 11.722 2.121 4.557 1.00 1.21 H new ATOM 0 H2' DG A 2 10.427 2.012 2.469 1.00 1.04 H new ATOM 0 H2'' DG A 2 9.336 1.295 3.638 1.00 1.04 H new ATOM 0 H1' DG A 2 8.115 3.274 3.946 1.00 0.92 H new ATOM 0 H8 DG A 2 10.017 3.606 0.588 1.00 0.75 H new ATOM 0 H1 DG A 2 3.577 3.707 0.351 1.00 0.46 H new ATOM 0 H21 DG A 2 3.809 3.407 3.840 1.00 0.54 H new ATOM 0 H22 DG A 2 2.756 3.532 2.427 1.00 0.54 H new ATOM 62 P DG A 3 9.798 1.011 6.319 1.00 1.37 P ATOM 63 OP1 DG A 3 10.080 0.936 7.776 1.00 1.61 O ATOM 64 OP2 DG A 3 10.454 0.006 5.443 1.00 1.50 O ATOM 65 O5' DG A 3 8.217 0.948 6.097 1.00 1.14 O ATOM 66 C5' DG A 3 7.341 1.830 6.795 1.00 1.08 C ATOM 67 C4' DG A 3 5.906 1.348 6.735 1.00 0.88 C ATOM 68 O4' DG A 3 5.374 1.567 5.399 1.00 0.73 O ATOM 69 C3' DG A 3 5.708 -0.151 7.023 1.00 0.89 C ATOM 70 O3' DG A 3 4.550 -0.333 7.846 1.00 0.92 O ATOM 71 C2' DG A 3 5.491 -0.747 5.637 1.00 0.80 C ATOM 72 C1' DG A 3 4.768 0.377 4.928 1.00 0.67 C ATOM 73 N9 DG A 3 4.866 0.351 3.459 1.00 0.57 N ATOM 74 C8 DG A 3 6.011 0.392 2.696 1.00 0.59 C ATOM 75 N7 DG A 3 5.772 0.365 1.411 1.00 0.53 N ATOM 76 C5 DG A 3 4.393 0.298 1.318 1.00 0.46 C ATOM 77 C6 DG A 3 3.550 0.245 0.168 1.00 0.41 C ATOM 78 O6 DG A 3 3.884 0.249 -1.018 1.00 0.43 O ATOM 79 N1 DG A 3 2.196 0.184 0.516 1.00 0.37 N ATOM 80 C2 DG A 3 1.722 0.176 1.817 1.00 0.38 C ATOM 81 N2 DG A 3 0.394 0.113 1.969 1.00 0.36 N ATOM 82 N3 DG A 3 2.502 0.228 2.896 1.00 0.44 N ATOM 83 C4 DG A 3 3.817 0.287 2.575 1.00 0.48 C ATOM 0 H5' DG A 3 7.409 2.829 6.364 1.00 1.08 H new ATOM 0 H5'' DG A 3 7.656 1.910 7.835 1.00 1.08 H new ATOM 0 H4' DG A 3 5.397 1.916 7.513 1.00 0.88 H new ATOM 0 H3' DG A 3 6.542 -0.613 7.552 1.00 0.89 H new ATOM 0 H2' DG A 3 6.432 -1.000 5.149 1.00 0.80 H new ATOM 0 H2'' DG A 3 4.895 -1.659 5.673 1.00 0.80 H new ATOM 0 H1' DG A 3 3.703 0.290 5.143 1.00 0.67 H new ATOM 0 H8 DG A 3 7.005 0.441 3.116 1.00 0.59 H new ATOM 0 H1 DG A 3 1.512 0.143 -0.240 1.00 0.37 H new ATOM 0 H21 DG A 3 -0.012 0.104 2.905 1.00 0.36 H new ATOM 0 H22 DG A 3 -0.212 0.074 1.149 1.00 0.36 H new ATOM 95 P DG A 4 4.211 -1.779 8.449 1.00 0.96 P ATOM 96 OP1 DG A 4 3.816 -1.626 9.874 1.00 1.08 O ATOM 97 OP2 DG A 4 5.331 -2.705 8.144 1.00 1.12 O ATOM 98 O5' DG A 4 2.932 -2.211 7.602 1.00 0.80 O ATOM 99 C5' DG A 4 1.652 -1.634 7.849 1.00 0.79 C ATOM 100 C4' DG A 4 0.560 -2.389 7.122 1.00 0.71 C ATOM 101 O4' DG A 4 0.686 -2.157 5.691 1.00 0.67 O ATOM 102 C3' DG A 4 0.596 -3.918 7.304 1.00 0.76 C ATOM 103 O3' DG A 4 -0.729 -4.443 7.424 1.00 0.81 O ATOM 104 C2' DG A 4 1.227 -4.403 6.012 1.00 0.77 C ATOM 105 C1' DG A 4 0.696 -3.396 5.009 1.00 0.67 C ATOM 106 N9 DG A 4 1.511 -3.256 3.793 1.00 0.64 N ATOM 107 C8 DG A 4 2.882 -3.194 3.716 1.00 0.69 C ATOM 108 N7 DG A 4 3.325 -3.102 2.492 1.00 0.67 N ATOM 109 C5 DG A 4 2.184 -3.099 1.710 1.00 0.59 C ATOM 110 C6 DG A 4 2.041 -3.022 0.293 1.00 0.56 C ATOM 111 O6 DG A 4 2.931 -2.942 -0.557 1.00 0.61 O ATOM 112 N1 DG A 4 0.700 -3.049 -0.097 1.00 0.50 N ATOM 113 C2 DG A 4 -0.371 -3.136 0.774 1.00 0.50 C ATOM 114 N2 DG A 4 -1.591 -3.143 0.218 1.00 0.50 N ATOM 115 N3 DG A 4 -0.247 -3.211 2.100 1.00 0.54 N ATOM 116 C4 DG A 4 1.050 -3.189 2.497 1.00 0.57 C ATOM 0 H5' DG A 4 1.652 -0.592 7.529 1.00 0.79 H new ATOM 0 H5'' DG A 4 1.449 -1.638 8.920 1.00 0.79 H new ATOM 0 H4' DG A 4 -0.369 -2.015 7.552 1.00 0.71 H new ATOM 0 H3' DG A 4 1.136 -4.227 8.199 1.00 0.76 H new ATOM 0 H2' DG A 4 2.316 -4.396 6.061 1.00 0.77 H new ATOM 0 H2'' DG A 4 0.926 -5.422 5.767 1.00 0.77 H new ATOM 0 H1' DG A 4 -0.282 -3.731 4.664 1.00 0.67 H new ATOM 0 H8 DG A 4 3.528 -3.219 4.581 1.00 0.69 H new ATOM 0 H1 DG A 4 0.496 -3.001 -1.095 1.00 0.50 H new ATOM 0 H21 DG A 4 -2.420 -3.205 0.809 1.00 0.50 H new ATOM 0 H22 DG A 4 -1.690 -3.086 -0.796 1.00 0.50 H new ATOM 128 P DC A 5 -1.435 -4.546 8.860 1.00 0.73 P ATOM 129 OP1 DC A 5 -0.882 -3.496 9.755 1.00 0.97 O ATOM 130 OP2 DC A 5 -1.362 -5.954 9.326 1.00 1.02 O ATOM 131 O5' DC A 5 -2.956 -4.188 8.521 1.00 0.68 O ATOM 132 C5' DC A 5 -3.594 -4.683 7.345 1.00 0.87 C ATOM 133 C4' DC A 5 -3.321 -3.774 6.168 1.00 0.89 C ATOM 134 O4' DC A 5 -3.828 -4.381 4.958 1.00 1.03 O ATOM 135 C3' DC A 5 -3.983 -2.382 6.249 1.00 0.79 C ATOM 136 O3' DC A 5 -2.984 -1.361 6.118 1.00 0.77 O ATOM 137 C2' DC A 5 -4.941 -2.349 5.056 1.00 0.74 C ATOM 138 C1' DC A 5 -4.324 -3.365 4.120 1.00 0.86 C ATOM 139 N1 DC A 5 -5.260 -3.962 3.154 1.00 0.93 N ATOM 140 C2 DC A 5 -5.095 -3.665 1.791 1.00 1.03 C ATOM 141 O2 DC A 5 -4.140 -2.958 1.448 1.00 1.17 O ATOM 142 N3 DC A 5 -5.960 -4.184 0.883 1.00 1.16 N ATOM 143 C4 DC A 5 -6.960 -4.980 1.290 1.00 1.24 C ATOM 144 N4 DC A 5 -7.805 -5.447 0.368 1.00 1.45 N ATOM 145 C5 DC A 5 -7.148 -5.309 2.674 1.00 1.28 C ATOM 146 C6 DC A 5 -6.282 -4.781 3.564 1.00 1.09 C ATOM 0 H5' DC A 5 -4.669 -4.758 7.512 1.00 0.87 H new ATOM 0 H5'' DC A 5 -3.235 -5.688 7.126 1.00 0.87 H new ATOM 0 H4' DC A 5 -2.239 -3.640 6.175 1.00 0.89 H new ATOM 0 H3' DC A 5 -4.495 -2.209 7.196 1.00 0.79 H new ATOM 0 H2' DC A 5 -5.956 -2.623 5.342 1.00 0.74 H new ATOM 0 H2'' DC A 5 -4.994 -1.359 4.604 1.00 0.74 H new ATOM 0 H1' DC A 5 -3.569 -2.867 3.511 1.00 0.86 H new ATOM 0 H41 DC A 5 -8.576 -6.055 0.644 1.00 1.45 H new ATOM 0 H42 DC A 5 -7.679 -5.196 -0.613 1.00 1.45 H new ATOM 0 H5 DC A 5 -7.953 -5.955 2.992 1.00 1.28 H new ATOM 0 H6 DC A 5 -6.395 -5.006 4.614 1.00 1.09 H new ATOM 158 P DG A 6 -2.971 -0.119 7.134 1.00 0.82 P ATOM 159 OP1 DG A 6 -1.991 -0.387 8.218 1.00 1.03 O ATOM 160 OP2 DG A 6 -4.369 0.184 7.534 1.00 0.98 O ATOM 161 O5' DG A 6 -2.422 1.072 6.221 1.00 0.75 O ATOM 162 C5' DG A 6 -2.787 2.429 6.475 1.00 0.77 C ATOM 163 C4' DG A 6 -3.535 3.028 5.302 1.00 0.63 C ATOM 164 O4' DG A 6 -2.596 3.720 4.436 1.00 0.61 O ATOM 165 C3' DG A 6 -4.265 2.017 4.400 1.00 0.53 C ATOM 166 O3' DG A 6 -5.520 2.560 3.977 1.00 0.54 O ATOM 167 C2' DG A 6 -3.310 1.865 3.223 1.00 0.50 C ATOM 168 C1' DG A 6 -2.750 3.265 3.103 1.00 0.51 C ATOM 169 N9 DG A 6 -1.449 3.360 2.421 1.00 0.49 N ATOM 170 C8 DG A 6 -0.213 3.487 3.008 1.00 0.53 C ATOM 171 N7 DG A 6 0.761 3.562 2.145 1.00 0.54 N ATOM 172 C5 DG A 6 0.138 3.478 0.913 1.00 0.48 C ATOM 173 C6 DG A 6 0.694 3.507 -0.398 1.00 0.48 C ATOM 174 O6 DG A 6 1.882 3.613 -0.716 1.00 0.53 O ATOM 175 N1 DG A 6 -0.290 3.393 -1.384 1.00 0.44 N ATOM 176 C2 DG A 6 -1.643 3.267 -1.131 1.00 0.45 C ATOM 177 N2 DG A 6 -2.447 3.164 -2.200 1.00 0.49 N ATOM 178 N3 DG A 6 -2.172 3.240 0.094 1.00 0.47 N ATOM 179 C4 DG A 6 -1.230 3.350 1.063 1.00 0.46 C ATOM 0 H5' DG A 6 -1.891 3.017 6.676 1.00 0.77 H new ATOM 0 H5'' DG A 6 -3.409 2.479 7.369 1.00 0.77 H new ATOM 0 H4' DG A 6 -4.283 3.675 5.760 1.00 0.63 H new ATOM 0 H3' DG A 6 -4.492 1.069 4.888 1.00 0.53 H new ATOM 0 H2' DG A 6 -2.532 1.128 3.420 1.00 0.50 H new ATOM 0 H2'' DG A 6 -3.825 1.550 2.315 1.00 0.50 H new ATOM 0 H1' DG A 6 -3.432 3.857 2.493 1.00 0.51 H new ATOM 0 H8 DG A 6 -0.064 3.521 4.077 1.00 0.53 H new ATOM 0 H1 DG A 6 0.011 3.404 -2.358 1.00 0.44 H new ATOM 0 H21 DG A 6 -3.455 3.069 -2.073 1.00 0.49 H new ATOM 0 H22 DG A 6 -2.051 3.181 -3.140 1.00 0.49 H new ATOM 191 P DG A 7 -6.617 1.607 3.299 1.00 0.52 P ATOM 192 OP1 DG A 7 -7.900 2.349 3.196 1.00 0.68 O ATOM 193 OP2 DG A 7 -6.642 0.304 4.012 1.00 0.71 O ATOM 194 O5' DG A 7 -6.020 1.393 1.834 1.00 0.47 O ATOM 195 C5' DG A 7 -6.313 2.294 0.767 1.00 0.40 C ATOM 196 C4' DG A 7 -6.479 1.547 -0.536 1.00 0.34 C ATOM 197 O4' DG A 7 -5.217 1.531 -1.254 1.00 0.39 O ATOM 198 C3' DG A 7 -6.898 0.081 -0.389 1.00 0.32 C ATOM 199 O3' DG A 7 -7.818 -0.276 -1.423 1.00 0.34 O ATOM 200 C2' DG A 7 -5.584 -0.673 -0.542 1.00 0.33 C ATOM 201 C1' DG A 7 -4.828 0.192 -1.534 1.00 0.36 C ATOM 202 N9 DG A 7 -3.364 0.105 -1.424 1.00 0.38 N ATOM 203 C8 DG A 7 -2.630 0.056 -0.266 1.00 0.37 C ATOM 204 N7 DG A 7 -1.345 0.009 -0.473 1.00 0.39 N ATOM 205 C5 DG A 7 -1.214 0.024 -1.850 1.00 0.38 C ATOM 206 C6 DG A 7 -0.042 -0.007 -2.662 1.00 0.39 C ATOM 207 O6 DG A 7 1.138 -0.047 -2.292 1.00 0.42 O ATOM 208 N1 DG A 7 -0.354 0.021 -4.030 1.00 0.42 N ATOM 209 C2 DG A 7 -1.642 0.074 -4.540 1.00 0.44 C ATOM 210 N2 DG A 7 -1.768 0.083 -5.877 1.00 0.49 N ATOM 211 N3 DG A 7 -2.741 0.108 -3.783 1.00 0.44 N ATOM 212 C4 DG A 7 -2.455 0.081 -2.458 1.00 0.40 C ATOM 0 H5' DG A 7 -5.511 3.026 0.672 1.00 0.40 H new ATOM 0 H5'' DG A 7 -7.224 2.848 0.993 1.00 0.40 H new ATOM 0 H4' DG A 7 -7.273 2.080 -1.058 1.00 0.34 H new ATOM 0 H3' DG A 7 -7.402 -0.136 0.553 1.00 0.32 H new ATOM 0 H2' DG A 7 -5.054 -0.763 0.406 1.00 0.33 H new ATOM 0 H2'' DG A 7 -5.737 -1.684 -0.918 1.00 0.33 H new ATOM 0 H1' DG A 7 -5.072 -0.148 -2.541 1.00 0.36 H new ATOM 0 H8 DG A 7 -3.073 0.056 0.719 1.00 0.37 H new ATOM 0 H1 DG A 7 0.420 0.001 -4.694 1.00 0.42 H new ATOM 0 H21 DG A 7 -2.695 0.121 -6.302 1.00 0.49 H new ATOM 0 H22 DG A 7 -0.937 0.052 -6.468 1.00 0.49 H new ATOM 224 P DG A 8 -8.507 -1.721 -1.394 1.00 0.48 P ATOM 225 OP1 DG A 8 -9.948 -1.576 -1.705 1.00 0.62 O ATOM 226 OP2 DG A 8 -8.146 -2.403 -0.129 1.00 0.52 O ATOM 227 O5' DG A 8 -7.792 -2.458 -2.607 1.00 0.60 O ATOM 228 C5' DG A 8 -8.005 -2.028 -3.945 1.00 0.68 C ATOM 229 C4' DG A 8 -7.127 -2.794 -4.904 1.00 0.53 C ATOM 230 O4' DG A 8 -5.786 -2.296 -4.836 1.00 0.53 O ATOM 231 C3' DG A 8 -6.977 -4.274 -4.599 1.00 0.50 C ATOM 232 O3' DG A 8 -8.059 -5.007 -5.189 1.00 0.58 O ATOM 233 C2' DG A 8 -5.647 -4.627 -5.264 1.00 0.50 C ATOM 234 C1' DG A 8 -4.890 -3.287 -5.314 1.00 0.45 C ATOM 235 N9 DG A 8 -3.667 -3.237 -4.495 1.00 0.40 N ATOM 236 C8 DG A 8 -3.581 -3.185 -3.122 1.00 0.40 C ATOM 237 N7 DG A 8 -2.351 -3.149 -2.688 1.00 0.41 N ATOM 238 C5 DG A 8 -1.575 -3.176 -3.833 1.00 0.41 C ATOM 239 C6 DG A 8 -0.158 -3.155 -3.986 1.00 0.42 C ATOM 240 O6 DG A 8 0.701 -3.109 -3.099 1.00 0.46 O ATOM 241 N1 DG A 8 0.222 -3.195 -5.332 1.00 0.45 N ATOM 242 C2 DG A 8 -0.664 -3.248 -6.395 1.00 0.48 C ATOM 243 N2 DG A 8 -0.130 -3.273 -7.623 1.00 0.54 N ATOM 244 N3 DG A 8 -1.989 -3.270 -6.259 1.00 0.46 N ATOM 245 C4 DG A 8 -2.373 -3.231 -4.960 1.00 0.41 C ATOM 0 H5' DG A 8 -7.795 -0.962 -4.026 1.00 0.68 H new ATOM 0 H5'' DG A 8 -9.052 -2.168 -4.214 1.00 0.68 H new ATOM 0 H4' DG A 8 -7.621 -2.664 -5.867 1.00 0.53 H new ATOM 0 H3' DG A 8 -6.994 -4.510 -3.535 1.00 0.50 H new ATOM 0 H2' DG A 8 -5.099 -5.374 -4.690 1.00 0.50 H new ATOM 0 H2'' DG A 8 -5.796 -5.039 -6.262 1.00 0.50 H new ATOM 0 H1' DG A 8 -4.565 -3.134 -6.343 1.00 0.45 H new ATOM 0 H8 DG A 8 -4.443 -3.175 -2.471 1.00 0.40 H new ATOM 0 H1 DG A 8 1.220 -3.184 -5.545 1.00 0.45 H new ATOM 0 H21 DG A 8 -0.736 -3.312 -8.442 1.00 0.54 H new ATOM 0 H22 DG A 8 0.883 -3.253 -7.739 1.00 0.54 H new ATOM 257 P DC A 9 -8.849 -6.107 -4.331 1.00 0.84 P ATOM 258 OP1 DC A 9 -7.870 -7.061 -3.749 1.00 1.26 O ATOM 259 OP2 DC A 9 -9.937 -6.670 -5.168 1.00 1.25 O ATOM 260 O5' DC A 9 -9.491 -5.243 -3.149 1.00 0.60 O ATOM 261 C5' DC A 9 -10.685 -4.470 -3.328 1.00 0.62 C ATOM 262 C4' DC A 9 -11.684 -4.719 -2.211 1.00 0.67 C ATOM 263 O4' DC A 9 -10.999 -4.977 -0.975 1.00 0.73 O ATOM 264 C3' DC A 9 -12.577 -3.532 -1.864 1.00 0.79 C ATOM 265 O3' DC A 9 -13.750 -3.514 -2.687 1.00 0.84 O ATOM 266 C2' DC A 9 -12.947 -3.775 -0.391 1.00 0.97 C ATOM 267 C1' DC A 9 -11.903 -4.794 0.096 1.00 0.91 C ATOM 268 N1 DC A 9 -11.136 -4.392 1.296 1.00 0.94 N ATOM 269 C2 DC A 9 -11.010 -5.307 2.360 1.00 1.42 C ATOM 270 O2 DC A 9 -11.550 -6.422 2.262 1.00 1.83 O ATOM 271 N3 DC A 9 -10.304 -4.953 3.469 1.00 1.47 N ATOM 272 C4 DC A 9 -9.734 -3.740 3.544 1.00 1.06 C ATOM 273 N4 DC A 9 -9.045 -3.436 4.647 1.00 1.16 N ATOM 274 C5 DC A 9 -9.843 -2.787 2.482 1.00 0.73 C ATOM 275 C6 DC A 9 -10.548 -3.150 1.387 1.00 0.69 C ATOM 0 H5' DC A 9 -11.140 -4.719 -4.287 1.00 0.62 H new ATOM 0 H5'' DC A 9 -10.432 -3.410 -3.361 1.00 0.62 H new ATOM 0 H4' DC A 9 -12.280 -5.547 -2.594 1.00 0.67 H new ATOM 0 H3' DC A 9 -12.085 -2.573 -2.026 1.00 0.79 H new ATOM 0 H2' DC A 9 -12.904 -2.853 0.188 1.00 0.97 H new ATOM 0 H2'' DC A 9 -13.960 -4.165 -0.294 1.00 0.97 H new ATOM 0 H1' DC A 9 -12.440 -5.696 0.391 1.00 0.91 H new ATOM 0 H41 DC A 9 -8.600 -2.522 4.735 1.00 1.16 H new ATOM 0 H42 DC A 9 -8.964 -4.117 5.402 1.00 1.16 H new ATOM 0 H5 DC A 9 -9.379 -1.814 2.553 1.00 0.73 H new ATOM 0 H6 DC A 9 -10.652 -2.453 0.569 1.00 0.69 H new ATOM 287 P DG A 10 -14.673 -2.199 -2.684 1.00 0.87 P ATOM 288 OP1 DG A 10 -13.883 -1.056 -2.156 1.00 0.98 O ATOM 289 OP2 DG A 10 -15.952 -2.517 -2.000 1.00 1.02 O ATOM 290 O5' DG A 10 -14.958 -1.954 -4.239 1.00 0.94 O ATOM 291 C5' DG A 10 -14.030 -1.266 -5.081 1.00 0.90 C ATOM 292 C4' DG A 10 -14.523 0.126 -5.427 1.00 0.84 C ATOM 293 O4' DG A 10 -14.319 1.015 -4.297 1.00 0.76 O ATOM 294 C3' DG A 10 -13.760 0.802 -6.559 1.00 0.84 C ATOM 295 O3' DG A 10 -14.528 1.891 -7.097 1.00 0.94 O ATOM 296 C2' DG A 10 -12.545 1.322 -5.811 1.00 0.70 C ATOM 297 C1' DG A 10 -13.177 1.842 -4.531 1.00 0.69 C ATOM 298 N9 DG A 10 -12.322 1.793 -3.337 1.00 0.67 N ATOM 299 C8 DG A 10 -11.282 0.931 -3.086 1.00 0.65 C ATOM 300 N7 DG A 10 -10.719 1.131 -1.926 1.00 0.71 N ATOM 301 C5 DG A 10 -11.424 2.187 -1.374 1.00 0.84 C ATOM 302 C6 DG A 10 -11.267 2.852 -0.118 1.00 1.14 C ATOM 303 O6 DG A 10 -10.444 2.623 0.778 1.00 1.21 O ATOM 304 N1 DG A 10 -12.201 3.880 0.047 1.00 1.50 N ATOM 305 C2 DG A 10 -13.163 4.225 -0.882 1.00 1.58 C ATOM 306 N2 DG A 10 -13.971 5.241 -0.548 1.00 2.01 N ATOM 307 N3 DG A 10 -13.318 3.612 -2.055 1.00 1.29 N ATOM 308 C4 DG A 10 -12.420 2.609 -2.234 1.00 0.90 C ATOM 0 H5' DG A 10 -13.875 -1.837 -5.997 1.00 0.90 H new ATOM 0 H5'' DG A 10 -13.064 -1.198 -4.581 1.00 0.90 H new ATOM 0 H4' DG A 10 -15.565 -0.023 -5.711 1.00 0.84 H new ATOM 0 H3' DG A 10 -13.529 0.156 -7.406 1.00 0.84 H new ATOM 0 H2' DG A 10 -11.815 0.536 -5.618 1.00 0.70 H new ATOM 0 H2'' DG A 10 -12.029 2.108 -6.363 1.00 0.70 H new ATOM 0 H1' DG A 10 -13.397 2.899 -4.679 1.00 0.69 H new ATOM 0 H8 DG A 10 -10.963 0.166 -3.778 1.00 0.65 H new ATOM 0 H1 DG A 10 -12.169 4.413 0.916 1.00 1.50 H new ATOM 0 H21 DG A 10 -14.702 5.544 -1.192 1.00 2.01 H new ATOM 0 H22 DG A 10 -13.855 5.711 0.350 1.00 2.01 H new ATOM 320 P DC A 11 -15.143 1.808 -8.579 1.00 1.22 P ATOM 321 OP1 DC A 11 -16.599 1.524 -8.480 1.00 1.43 O ATOM 322 OP2 DC A 11 -14.320 0.885 -9.399 1.00 1.30 O ATOM 323 O5' DC A 11 -14.947 3.305 -9.113 1.00 1.26 O ATOM 324 C5' DC A 11 -13.703 3.764 -9.646 1.00 1.18 C ATOM 325 C4' DC A 11 -12.595 3.649 -8.621 1.00 0.93 C ATOM 326 O4' DC A 11 -11.952 2.366 -8.762 1.00 1.01 O ATOM 327 C3' DC A 11 -11.470 4.663 -8.750 1.00 0.82 C ATOM 328 O3' DC A 11 -11.796 5.849 -8.012 1.00 0.80 O ATOM 329 C2' DC A 11 -10.305 3.926 -8.109 1.00 0.73 C ATOM 330 C1' DC A 11 -10.562 2.465 -8.482 1.00 0.84 C ATOM 331 N1 DC A 11 -9.816 1.920 -9.652 1.00 0.99 N ATOM 332 C2 DC A 11 -8.604 2.511 -10.105 1.00 1.23 C ATOM 333 O2 DC A 11 -8.147 3.513 -9.533 1.00 1.35 O ATOM 334 N3 DC A 11 -7.956 1.959 -11.170 1.00 1.41 N ATOM 335 C4 DC A 11 -8.459 0.876 -11.781 1.00 1.41 C ATOM 336 N4 DC A 11 -7.782 0.362 -12.813 1.00 1.64 N ATOM 337 C5 DC A 11 -9.678 0.264 -11.349 1.00 1.25 C ATOM 338 C6 DC A 11 -10.311 0.812 -10.294 1.00 1.03 C ATOM 0 H5' DC A 11 -13.801 4.802 -9.965 1.00 1.18 H new ATOM 0 H5'' DC A 11 -13.446 3.182 -10.531 1.00 1.18 H new ATOM 0 H4' DC A 11 -13.098 3.812 -7.668 1.00 0.93 H new ATOM 0 H3' DC A 11 -11.269 4.988 -9.771 1.00 0.82 H new ATOM 0 H2' DC A 11 -9.347 4.276 -8.494 1.00 0.73 H new ATOM 0 H2'' DC A 11 -10.286 4.067 -7.028 1.00 0.73 H new ATOM 0 H1' DC A 11 -10.208 1.871 -7.639 1.00 0.84 H new ATOM 0 H41 DC A 11 -8.139 -0.461 -13.298 1.00 1.64 H new ATOM 0 H42 DC A 11 -6.908 0.793 -13.115 1.00 1.64 H new ATOM 0 H5 DC A 11 -10.076 -0.606 -11.851 1.00 1.25 H new ATOM 0 H6 DC A 11 -11.231 0.368 -9.944 1.00 1.03 H new ATOM 350 P DT A 12 -10.885 7.163 -8.147 1.00 0.92 P ATOM 351 OP1 DT A 12 -11.619 8.177 -8.948 1.00 1.34 O ATOM 352 OP2 DT A 12 -9.532 6.770 -8.616 1.00 1.33 O ATOM 353 O5' DT A 12 -10.792 7.672 -6.632 1.00 0.84 O ATOM 354 C5' DT A 12 -9.569 8.151 -6.067 1.00 0.84 C ATOM 355 C4' DT A 12 -9.355 7.604 -4.669 1.00 0.75 C ATOM 356 O4' DT A 12 -9.560 6.181 -4.668 1.00 0.65 O ATOM 357 C3' DT A 12 -7.939 7.761 -4.130 1.00 0.74 C ATOM 358 O3' DT A 12 -7.782 9.015 -3.446 1.00 0.92 O ATOM 359 C2' DT A 12 -7.797 6.602 -3.140 1.00 0.71 C ATOM 360 C1' DT A 12 -8.880 5.602 -3.565 1.00 0.64 C ATOM 361 N1 DT A 12 -8.366 4.278 -3.968 1.00 0.58 N ATOM 362 C2 DT A 12 -8.374 3.266 -3.023 1.00 0.67 C ATOM 363 O2 DT A 12 -8.784 3.423 -1.887 1.00 0.77 O ATOM 364 N3 DT A 12 -7.872 2.057 -3.461 1.00 0.72 N ATOM 365 C4 DT A 12 -7.375 1.772 -4.720 1.00 0.69 C ATOM 366 O4 DT A 12 -6.952 0.648 -4.971 1.00 0.80 O ATOM 367 C5 DT A 12 -7.398 2.877 -5.661 1.00 0.56 C ATOM 368 C7 DT A 12 -6.878 2.653 -7.041 1.00 0.60 C ATOM 369 C6 DT A 12 -7.888 4.062 -5.252 1.00 0.51 C ATOM 0 H5' DT A 12 -9.583 9.240 -6.035 1.00 0.84 H new ATOM 0 H5'' DT A 12 -8.734 7.862 -6.705 1.00 0.84 H new ATOM 0 H4' DT A 12 -10.054 8.173 -4.055 1.00 0.75 H new ATOM 0 H3' DT A 12 -7.190 7.748 -4.922 1.00 0.74 H new ATOM 0 H2' DT A 12 -6.803 6.157 -3.190 1.00 0.71 H new ATOM 0 H2'' DT A 12 -7.946 6.936 -2.113 1.00 0.71 H new ATOM 0 H1' DT A 12 -9.521 5.420 -2.703 1.00 0.64 H new ATOM 0 H3 DT A 12 -7.867 1.293 -2.785 1.00 0.72 H new ATOM 0 H71 DT A 12 -6.096 1.894 -7.016 1.00 0.60 H new ATOM 0 H72 DT A 12 -7.690 2.317 -7.686 1.00 0.60 H new ATOM 0 H73 DT A 12 -6.467 3.584 -7.431 1.00 0.60 H new ATOM 0 H6 DT A 12 -7.910 4.881 -5.955 1.00 0.51 H new ATOM 382 P DA A 13 -6.792 10.143 -4.030 1.00 0.95 P ATOM 383 OP1 DA A 13 -7.169 11.456 -3.445 1.00 1.20 O ATOM 384 OP2 DA A 13 -6.776 10.041 -5.511 1.00 0.89 O ATOM 385 O5' DA A 13 -5.355 9.719 -3.449 1.00 0.94 O ATOM 386 C5' DA A 13 -4.798 8.428 -3.690 1.00 0.83 C ATOM 387 C4' DA A 13 -4.175 8.347 -5.067 1.00 0.73 C ATOM 388 O4' DA A 13 -2.741 8.558 -4.944 1.00 0.79 O ATOM 389 C3' DA A 13 -4.324 6.986 -5.754 1.00 0.64 C ATOM 390 O3' DA A 13 -4.402 7.160 -7.174 1.00 0.65 O ATOM 391 C2' DA A 13 -3.040 6.277 -5.385 1.00 0.67 C ATOM 392 C1' DA A 13 -2.037 7.412 -5.404 1.00 0.74 C ATOM 393 N9 DA A 13 -0.867 7.198 -4.539 1.00 0.80 N ATOM 394 C8 DA A 13 -0.851 6.964 -3.186 1.00 0.89 C ATOM 395 N7 DA A 13 0.355 6.809 -2.689 1.00 0.94 N ATOM 396 C5 DA A 13 1.191 6.950 -3.791 1.00 0.87 C ATOM 397 C6 DA A 13 2.603 6.894 -3.942 1.00 0.89 C ATOM 398 N6 DA A 13 3.459 6.700 -2.932 1.00 0.97 N ATOM 399 N1 DA A 13 3.111 7.077 -5.188 1.00 0.86 N ATOM 400 C2 DA A 13 2.260 7.301 -6.206 1.00 0.80 C ATOM 401 N3 DA A 13 0.924 7.377 -6.190 1.00 0.75 N ATOM 402 C4 DA A 13 0.446 7.190 -4.939 1.00 0.79 C ATOM 0 H5' DA A 13 -5.576 7.670 -3.595 1.00 0.83 H new ATOM 0 H5'' DA A 13 -4.044 8.208 -2.934 1.00 0.83 H new ATOM 0 H4' DA A 13 -4.694 9.098 -5.662 1.00 0.73 H new ATOM 0 H3' DA A 13 -5.220 6.442 -5.454 1.00 0.64 H new ATOM 0 H2' DA A 13 -3.102 5.804 -4.405 1.00 0.67 H new ATOM 0 H2'' DA A 13 -2.785 5.495 -6.101 1.00 0.67 H new ATOM 0 H1' DA A 13 -1.641 7.509 -6.415 1.00 0.74 H new ATOM 0 H8 DA A 13 -1.747 6.912 -2.586 1.00 0.89 H new ATOM 0 H61 DA A 13 4.462 6.671 -3.112 1.00 0.97 H new ATOM 0 H62 DA A 13 3.108 6.581 -1.982 1.00 0.97 H new ATOM 0 H2 DA A 13 2.720 7.439 -7.173 1.00 0.80 H new ATOM 414 P DG A 14 -5.701 6.682 -7.981 1.00 0.58 P ATOM 415 OP1 DG A 14 -5.946 7.629 -9.100 1.00 0.66 O ATOM 416 OP2 DG A 14 -6.808 6.462 -7.028 1.00 0.63 O ATOM 417 O5' DG A 14 -5.237 5.275 -8.579 1.00 0.58 O ATOM 418 C5' DG A 14 -4.863 5.145 -9.949 1.00 0.56 C ATOM 419 C4' DG A 14 -3.670 4.227 -10.131 1.00 0.50 C ATOM 420 O4' DG A 14 -2.717 4.396 -9.041 1.00 0.54 O ATOM 421 C3' DG A 14 -3.988 2.714 -10.161 1.00 0.48 C ATOM 422 O3' DG A 14 -3.291 2.126 -11.261 1.00 0.55 O ATOM 423 C2' DG A 14 -3.425 2.213 -8.836 1.00 0.46 C ATOM 424 C1' DG A 14 -2.241 3.124 -8.676 1.00 0.46 C ATOM 425 N9 DG A 14 -1.665 3.197 -7.327 1.00 0.47 N ATOM 426 C8 DG A 14 -2.320 3.176 -6.117 1.00 0.49 C ATOM 427 N7 DG A 14 -1.503 3.246 -5.094 1.00 0.49 N ATOM 428 C5 DG A 14 -0.241 3.316 -5.670 1.00 0.46 C ATOM 429 C6 DG A 14 1.052 3.405 -5.069 1.00 0.46 C ATOM 430 O6 DG A 14 1.332 3.442 -3.869 1.00 0.49 O ATOM 431 N1 DG A 14 2.071 3.450 -6.031 1.00 0.44 N ATOM 432 C2 DG A 14 1.862 3.414 -7.399 1.00 0.44 C ATOM 433 N2 DG A 14 2.945 3.453 -8.187 1.00 0.45 N ATOM 434 N3 DG A 14 0.663 3.335 -7.959 1.00 0.45 N ATOM 435 C4 DG A 14 -0.333 3.288 -7.046 1.00 0.45 C ATOM 0 H5' DG A 14 -4.628 6.129 -10.355 1.00 0.56 H new ATOM 0 H5'' DG A 14 -5.707 4.758 -10.520 1.00 0.56 H new ATOM 0 H4' DG A 14 -3.281 4.522 -11.105 1.00 0.50 H new ATOM 0 H3' DG A 14 -5.045 2.477 -10.279 1.00 0.48 H new ATOM 0 H2' DG A 14 -4.139 2.314 -8.018 1.00 0.46 H new ATOM 0 H2'' DG A 14 -3.136 1.163 -8.879 1.00 0.46 H new ATOM 0 H1' DG A 14 -1.426 2.738 -9.289 1.00 0.46 H new ATOM 0 H8 DG A 14 -3.394 3.109 -6.020 1.00 0.49 H new ATOM 0 H1 DG A 14 3.034 3.514 -5.700 1.00 0.44 H new ATOM 0 H21 DG A 14 2.839 3.429 -9.201 1.00 0.45 H new ATOM 0 H22 DG A 14 3.875 3.507 -7.773 1.00 0.45 H new ATOM 447 P DG A 15 -3.594 0.626 -11.726 1.00 0.61 P ATOM 448 OP1 DG A 15 -4.612 0.651 -12.808 1.00 0.76 O ATOM 449 OP2 DG A 15 -3.875 -0.218 -10.537 1.00 0.79 O ATOM 450 O5' DG A 15 -2.184 0.197 -12.348 1.00 0.61 O ATOM 451 C5' DG A 15 -1.589 0.943 -13.410 1.00 0.67 C ATOM 452 C4' DG A 15 -0.073 0.922 -13.336 1.00 0.62 C ATOM 453 O4' DG A 15 0.363 1.231 -11.979 1.00 0.58 O ATOM 454 C3' DG A 15 0.576 -0.423 -13.693 1.00 0.65 C ATOM 455 O3' DG A 15 1.765 -0.195 -14.472 1.00 0.71 O ATOM 456 C2' DG A 15 0.926 -1.004 -12.325 1.00 0.56 C ATOM 457 C1' DG A 15 1.317 0.274 -11.553 1.00 0.52 C ATOM 458 N9 DG A 15 1.237 0.168 -10.083 1.00 0.50 N ATOM 459 C8 DG A 15 0.100 0.036 -9.317 1.00 0.53 C ATOM 460 N7 DG A 15 0.345 -0.022 -8.039 1.00 0.51 N ATOM 461 C5 DG A 15 1.720 0.078 -7.943 1.00 0.47 C ATOM 462 C6 DG A 15 2.562 0.074 -6.793 1.00 0.44 C ATOM 463 O6 DG A 15 2.228 -0.013 -5.608 1.00 0.45 O ATOM 464 N1 DG A 15 3.911 0.195 -7.136 1.00 0.43 N ATOM 465 C2 DG A 15 4.379 0.308 -8.437 1.00 0.44 C ATOM 466 N2 DG A 15 5.703 0.406 -8.586 1.00 0.45 N ATOM 467 N3 DG A 15 3.597 0.315 -9.514 1.00 0.46 N ATOM 468 C4 DG A 15 2.288 0.196 -9.199 1.00 0.46 C ATOM 0 H5' DG A 15 -1.940 1.974 -13.371 1.00 0.67 H new ATOM 0 H5'' DG A 15 -1.912 0.533 -14.367 1.00 0.67 H new ATOM 0 H4' DG A 15 0.242 1.661 -14.073 1.00 0.62 H new ATOM 0 H3' DG A 15 -0.061 -1.081 -14.284 1.00 0.65 H new ATOM 0 H2' DG A 15 0.082 -1.520 -11.868 1.00 0.56 H new ATOM 0 H2'' DG A 15 1.746 -1.720 -12.379 1.00 0.56 H new ATOM 0 H1' DG A 15 2.360 0.513 -11.760 1.00 0.52 H new ATOM 0 H8 DG A 15 -0.895 -0.014 -9.734 1.00 0.53 H new ATOM 0 H1 DG A 15 4.596 0.201 -6.381 1.00 0.43 H new ATOM 0 H21 DG A 15 6.106 0.492 -9.519 1.00 0.45 H new ATOM 0 H22 DG A 15 6.311 0.395 -7.767 1.00 0.45 H new ATOM 480 P DG A 16 2.550 -1.426 -15.152 1.00 0.76 P ATOM 481 OP1 DG A 16 3.292 -0.928 -16.338 1.00 0.92 O ATOM 482 OP2 DG A 16 1.601 -2.548 -15.356 1.00 0.90 O ATOM 483 O5' DG A 16 3.599 -1.830 -14.020 1.00 0.59 O ATOM 484 C5' DG A 16 4.503 -0.873 -13.477 1.00 0.57 C ATOM 485 C4' DG A 16 5.567 -1.547 -12.638 1.00 0.50 C ATOM 486 O4' DG A 16 5.153 -1.554 -11.258 1.00 0.51 O ATOM 487 C3' DG A 16 5.881 -3.007 -12.992 1.00 0.51 C ATOM 488 O3' DG A 16 7.307 -3.221 -13.018 1.00 0.63 O ATOM 489 C2' DG A 16 5.258 -3.767 -11.841 1.00 0.52 C ATOM 490 C1' DG A 16 5.476 -2.796 -10.698 1.00 0.47 C ATOM 491 N9 DG A 16 4.642 -2.992 -9.504 1.00 0.49 N ATOM 492 C8 DG A 16 3.269 -3.085 -9.436 1.00 0.53 C ATOM 493 N7 DG A 16 2.824 -3.179 -8.210 1.00 0.55 N ATOM 494 C5 DG A 16 3.967 -3.144 -7.425 1.00 0.51 C ATOM 495 C6 DG A 16 4.119 -3.201 -6.007 1.00 0.52 C ATOM 496 O6 DG A 16 3.235 -3.294 -5.149 1.00 0.58 O ATOM 497 N1 DG A 16 5.467 -3.131 -5.625 1.00 0.49 N ATOM 498 C2 DG A 16 6.527 -3.022 -6.508 1.00 0.47 C ATOM 499 N2 DG A 16 7.756 -2.967 -5.978 1.00 0.48 N ATOM 500 N3 DG A 16 6.390 -2.967 -7.827 1.00 0.47 N ATOM 501 C4 DG A 16 5.095 -3.033 -8.214 1.00 0.48 C ATOM 0 H5' DG A 16 3.955 -0.155 -12.867 1.00 0.57 H new ATOM 0 H5'' DG A 16 4.973 -0.312 -14.285 1.00 0.57 H new ATOM 0 H4' DG A 16 6.466 -0.963 -12.836 1.00 0.50 H new ATOM 0 H3' DG A 16 5.507 -3.309 -13.970 1.00 0.51 H new ATOM 0 H2' DG A 16 4.201 -3.975 -12.009 1.00 0.52 H new ATOM 0 H2'' DG A 16 5.748 -4.725 -11.667 1.00 0.52 H new ATOM 0 H1' DG A 16 6.494 -2.918 -10.329 1.00 0.47 H new ATOM 0 H8 DG A 16 2.627 -3.081 -10.305 1.00 0.53 H new ATOM 0 H1 DG A 16 5.680 -3.163 -4.628 1.00 0.49 H new ATOM 0 H21 DG A 16 8.571 -2.886 -6.586 1.00 0.48 H new ATOM 0 H22 DG A 16 7.877 -3.006 -4.966 1.00 0.48 H new ATOM 513 P DA A 17 8.166 -2.918 -14.348 1.00 0.76 P ATOM 514 OP1 DA A 17 7.420 -3.418 -15.532 1.00 0.99 O ATOM 515 OP2 DA A 17 9.549 -3.420 -14.145 1.00 0.98 O ATOM 516 O5' DA A 17 8.191 -1.323 -14.393 1.00 0.80 O ATOM 517 C5' DA A 17 9.250 -0.567 -13.808 1.00 0.76 C ATOM 518 C4' DA A 17 9.142 0.894 -14.197 1.00 0.75 C ATOM 519 O4' DA A 17 9.369 1.029 -15.630 1.00 0.96 O ATOM 520 C3' DA A 17 7.770 1.532 -13.937 1.00 0.80 C ATOM 521 O3' DA A 17 7.929 2.893 -13.502 1.00 1.09 O ATOM 522 C2' DA A 17 7.104 1.484 -15.302 1.00 0.89 C ATOM 523 C1' DA A 17 8.281 1.716 -16.229 1.00 1.10 C ATOM 524 N9 DA A 17 8.091 1.231 -17.618 1.00 1.46 N ATOM 525 C8 DA A 17 8.264 -0.048 -18.136 1.00 1.63 C ATOM 526 N7 DA A 17 8.009 -0.136 -19.418 1.00 2.07 N ATOM 527 C5 DA A 17 7.641 1.153 -19.782 1.00 2.20 C ATOM 528 C6 DA A 17 7.247 1.721 -21.019 1.00 2.71 C ATOM 529 N6 DA A 17 7.154 1.030 -22.158 1.00 3.12 N ATOM 530 N1 DA A 17 6.944 3.045 -21.040 1.00 2.86 N ATOM 531 C2 DA A 17 7.035 3.743 -19.893 1.00 2.56 C ATOM 532 N3 DA A 17 7.393 3.323 -18.674 1.00 2.05 N ATOM 533 C4 DA A 17 7.687 2.004 -18.684 1.00 1.87 C ATOM 0 H5' DA A 17 10.211 -0.965 -14.133 1.00 0.76 H new ATOM 0 H5'' DA A 17 9.216 -0.663 -12.723 1.00 0.76 H new ATOM 0 H4' DA A 17 9.883 1.400 -13.578 1.00 0.75 H new ATOM 0 H3' DA A 17 7.196 1.025 -13.161 1.00 0.80 H new ATOM 0 H2' DA A 17 6.620 0.525 -15.487 1.00 0.89 H new ATOM 0 H2'' DA A 17 6.339 2.253 -15.411 1.00 0.89 H new ATOM 0 H1' DA A 17 8.435 2.790 -16.337 1.00 1.10 H new ATOM 0 H8 DA A 17 8.579 -0.890 -17.537 1.00 1.63 H new ATOM 0 H61 DA A 17 6.864 1.498 -23.016 1.00 3.12 H new ATOM 0 H62 DA A 17 7.373 0.034 -22.169 1.00 3.12 H new ATOM 0 H2 DA A 17 6.783 4.791 -19.967 1.00 2.56 H new ATOM 545 P DG A 18 6.844 3.574 -12.526 1.00 1.19 P ATOM 546 OP1 DG A 18 5.959 2.518 -11.967 1.00 1.37 O ATOM 547 OP2 DG A 18 6.200 4.703 -13.243 1.00 1.80 O ATOM 548 O5' DG A 18 7.753 4.151 -11.350 1.00 1.03 O ATOM 549 C5' DG A 18 8.990 4.821 -11.605 1.00 0.86 C ATOM 550 C4' DG A 18 10.030 4.448 -10.560 1.00 0.64 C ATOM 551 O4' DG A 18 9.476 4.687 -9.234 1.00 0.60 O ATOM 552 C3' DG A 18 10.487 2.982 -10.559 1.00 0.59 C ATOM 553 O3' DG A 18 11.870 2.898 -10.168 1.00 0.63 O ATOM 554 C2' DG A 18 9.596 2.337 -9.500 1.00 0.50 C ATOM 555 C1' DG A 18 9.386 3.473 -8.495 1.00 0.50 C ATOM 556 N9 DG A 18 8.077 3.449 -7.795 1.00 0.50 N ATOM 557 C8 DG A 18 6.820 3.377 -8.368 1.00 0.55 C ATOM 558 N7 DG A 18 5.852 3.431 -7.500 1.00 0.56 N ATOM 559 C5 DG A 18 6.483 3.535 -6.279 1.00 0.50 C ATOM 560 C6 DG A 18 5.926 3.624 -4.975 1.00 0.50 C ATOM 561 O6 DG A 18 4.729 3.636 -4.662 1.00 0.54 O ATOM 562 N1 DG A 18 6.915 3.708 -3.991 1.00 0.48 N ATOM 563 C2 DG A 18 8.273 3.704 -4.243 1.00 0.48 C ATOM 564 N2 DG A 18 9.068 3.753 -3.166 1.00 0.53 N ATOM 565 N3 DG A 18 8.809 3.629 -5.464 1.00 0.47 N ATOM 566 C4 DG A 18 7.861 3.545 -6.434 1.00 0.47 C ATOM 0 H5' DG A 18 8.833 5.900 -11.600 1.00 0.86 H new ATOM 0 H5'' DG A 18 9.354 4.557 -12.598 1.00 0.86 H new ATOM 0 H4' DG A 18 10.894 5.063 -10.812 1.00 0.64 H new ATOM 0 H3' DG A 18 10.407 2.503 -11.535 1.00 0.59 H new ATOM 0 H2' DG A 18 8.652 1.991 -9.922 1.00 0.50 H new ATOM 0 H2'' DG A 18 10.076 1.473 -9.040 1.00 0.50 H new ATOM 0 H1' DG A 18 10.141 3.368 -7.716 1.00 0.50 H new ATOM 0 H8 DG A 18 6.658 3.285 -9.432 1.00 0.55 H new ATOM 0 H1 DG A 18 6.613 3.777 -3.019 1.00 0.48 H new ATOM 0 H21 DG A 18 10.082 3.753 -3.280 1.00 0.53 H new ATOM 0 H22 DG A 18 8.660 3.790 -2.232 1.00 0.53 H new ATOM 578 P DG A 19 12.612 1.468 -10.093 1.00 0.62 P ATOM 579 OP1 DG A 19 14.059 1.660 -10.363 1.00 0.78 O ATOM 580 OP2 DG A 19 11.877 0.498 -10.944 1.00 0.69 O ATOM 581 O5' DG A 19 12.419 1.066 -8.559 1.00 0.58 O ATOM 582 C5' DG A 19 12.973 1.866 -7.520 1.00 0.71 C ATOM 583 C4' DG A 19 12.690 1.274 -6.155 1.00 0.72 C ATOM 584 O4' DG A 19 11.296 1.480 -5.808 1.00 0.68 O ATOM 585 C3' DG A 19 12.930 -0.241 -6.024 1.00 0.71 C ATOM 586 O3' DG A 19 13.753 -0.487 -4.867 1.00 0.95 O ATOM 587 C2' DG A 19 11.521 -0.810 -5.834 1.00 0.60 C ATOM 588 C1' DG A 19 10.814 0.331 -5.149 1.00 0.59 C ATOM 589 N9 DG A 19 9.349 0.292 -5.244 1.00 0.46 N ATOM 590 C8 DG A 19 8.590 0.234 -6.387 1.00 0.47 C ATOM 591 N7 DG A 19 7.311 0.227 -6.151 1.00 0.43 N ATOM 592 C5 DG A 19 7.210 0.280 -4.777 1.00 0.36 C ATOM 593 C6 DG A 19 6.057 0.296 -3.946 1.00 0.37 C ATOM 594 O6 DG A 19 4.869 0.268 -4.296 1.00 0.46 O ATOM 595 N1 DG A 19 6.400 0.351 -2.587 1.00 0.34 N ATOM 596 C2 DG A 19 7.701 0.383 -2.107 1.00 0.32 C ATOM 597 N2 DG A 19 7.860 0.422 -0.777 1.00 0.37 N ATOM 598 N3 DG A 19 8.779 0.371 -2.884 1.00 0.35 N ATOM 599 C4 DG A 19 8.463 0.319 -4.198 1.00 0.36 C ATOM 0 H5' DG A 19 12.559 2.873 -7.574 1.00 0.71 H new ATOM 0 H5'' DG A 19 14.050 1.956 -7.663 1.00 0.71 H new ATOM 0 H4' DG A 19 13.393 1.787 -5.499 1.00 0.72 H new ATOM 0 H3' DG A 19 13.441 -0.688 -6.876 1.00 0.71 H new ATOM 0 H2' DG A 19 11.054 -1.069 -6.784 1.00 0.60 H new ATOM 0 H2'' DG A 19 11.524 -1.713 -5.224 1.00 0.60 H new ATOM 0 H1' DG A 19 11.016 0.297 -4.078 1.00 0.59 H new ATOM 0 H8 DG A 19 9.012 0.198 -7.380 1.00 0.47 H new ATOM 0 H1 DG A 19 5.641 0.369 -1.906 1.00 0.34 H new ATOM 0 H21 DG A 19 8.798 0.447 -0.376 1.00 0.37 H new ATOM 0 H22 DG A 19 7.043 0.427 -0.166 1.00 0.37 H new ATOM 611 P DG A 20 14.220 -1.978 -4.470 1.00 1.12 P ATOM 612 OP1 DG A 20 15.690 -1.980 -4.253 1.00 1.42 O ATOM 613 OP2 DG A 20 13.671 -2.941 -5.458 1.00 1.12 O ATOM 614 O5' DG A 20 13.492 -2.192 -3.066 1.00 1.25 O ATOM 615 C5' DG A 20 13.727 -1.306 -1.973 1.00 1.39 C ATOM 616 C4' DG A 20 13.118 -1.837 -0.692 1.00 1.28 C ATOM 617 O4' DG A 20 11.675 -1.647 -0.730 1.00 1.08 O ATOM 618 C3' DG A 20 13.335 -3.334 -0.442 1.00 1.28 C ATOM 619 O3' DG A 20 13.532 -3.583 0.962 1.00 1.41 O ATOM 620 C2' DG A 20 12.033 -3.945 -0.922 1.00 1.02 C ATOM 621 C1' DG A 20 11.020 -2.885 -0.514 1.00 0.90 C ATOM 622 N9 DG A 20 9.778 -2.905 -1.299 1.00 0.69 N ATOM 623 C8 DG A 20 9.668 -2.926 -2.670 1.00 0.66 C ATOM 624 N7 DG A 20 8.433 -2.964 -3.082 1.00 0.54 N ATOM 625 C5 DG A 20 7.677 -2.963 -1.924 1.00 0.49 C ATOM 626 C6 DG A 20 6.263 -2.993 -1.755 1.00 0.46 C ATOM 627 O6 DG A 20 5.395 -3.030 -2.631 1.00 0.47 O ATOM 628 N1 DG A 20 5.900 -2.978 -0.404 1.00 0.51 N ATOM 629 C2 DG A 20 6.797 -2.942 0.650 1.00 0.55 C ATOM 630 N2 DG A 20 6.270 -2.935 1.884 1.00 0.61 N ATOM 631 N3 DG A 20 8.124 -2.915 0.499 1.00 0.59 N ATOM 632 C4 DG A 20 8.492 -2.927 -0.809 1.00 0.58 C ATOM 0 H5' DG A 20 13.306 -0.326 -2.199 1.00 1.39 H new ATOM 0 H5'' DG A 20 14.800 -1.168 -1.838 1.00 1.39 H new ATOM 0 H4' DG A 20 13.619 -1.283 0.102 1.00 1.28 H new ATOM 0 H3' DG A 20 14.212 -3.741 -0.946 1.00 1.28 H new ATOM 0 H2' DG A 20 12.034 -4.116 -1.999 1.00 1.02 H new ATOM 0 H2'' DG A 20 11.833 -4.905 -0.447 1.00 1.02 H new ATOM 0 H1' DG A 20 10.715 -3.062 0.517 1.00 0.90 H new ATOM 0 H8 DG A 20 10.518 -2.912 -3.336 1.00 0.66 H new ATOM 0 H1 DG A 20 4.905 -2.995 -0.180 1.00 0.51 H new ATOM 0 H21 DG A 20 6.882 -2.909 2.700 1.00 0.61 H new ATOM 0 H22 DG A 20 5.258 -2.956 2.006 1.00 0.61 H new ATOM 644 P DT A 21 14.161 -4.981 1.464 1.00 1.60 P ATOM 645 OP1 DT A 21 14.865 -4.756 2.754 1.00 1.85 O ATOM 646 OP2 DT A 21 14.942 -5.583 0.354 1.00 1.76 O ATOM 647 O5' DT A 21 12.862 -5.870 1.728 1.00 1.38 O ATOM 648 C5' DT A 21 12.218 -5.882 3.001 1.00 1.42 C ATOM 649 C4' DT A 21 10.966 -6.736 2.968 1.00 1.22 C ATOM 650 O4' DT A 21 10.015 -6.168 2.047 1.00 1.04 O ATOM 651 C3' DT A 21 11.168 -8.160 2.466 1.00 1.29 C ATOM 652 O3' DT A 21 11.589 -9.023 3.529 1.00 1.50 O ATOM 653 C2' DT A 21 9.779 -8.535 1.972 1.00 1.15 C ATOM 654 C1' DT A 21 9.203 -7.198 1.491 1.00 0.98 C ATOM 655 N1 DT A 21 9.174 -7.021 0.027 1.00 1.02 N ATOM 656 C2 DT A 21 8.023 -6.497 -0.538 1.00 1.09 C ATOM 657 O2 DT A 21 7.043 -6.190 0.118 1.00 1.12 O ATOM 658 N3 DT A 21 8.066 -6.342 -1.907 1.00 1.29 N ATOM 659 C4 DT A 21 9.123 -6.655 -2.747 1.00 1.39 C ATOM 660 O4 DT A 21 9.019 -6.462 -3.954 1.00 1.62 O ATOM 661 C5 DT A 21 10.299 -7.205 -2.091 1.00 1.33 C ATOM 662 C7 DT A 21 11.490 -7.575 -2.920 1.00 1.56 C ATOM 663 C6 DT A 21 10.274 -7.361 -0.752 1.00 1.17 C ATOM 0 H5' DT A 21 11.960 -4.864 3.292 1.00 1.42 H new ATOM 0 H5'' DT A 21 12.904 -6.265 3.756 1.00 1.42 H new ATOM 0 H4' DT A 21 10.639 -6.761 4.007 1.00 1.22 H new ATOM 0 H3' DT A 21 11.939 -8.248 1.700 1.00 1.29 H new ATOM 0 H2' DT A 21 9.823 -9.267 1.166 1.00 1.15 H new ATOM 0 H2'' DT A 21 9.174 -8.971 2.767 1.00 1.15 H new ATOM 0 HO3' DT A 21 11.711 -9.932 3.184 1.00 1.50 H new ATOM 0 H1' DT A 21 8.163 -7.165 1.815 1.00 0.98 H new ATOM 0 H3 DT A 21 7.231 -5.956 -2.349 1.00 1.29 H new ATOM 0 H71 DT A 21 12.397 -7.453 -2.328 1.00 1.56 H new ATOM 0 H72 DT A 21 11.402 -8.613 -3.240 1.00 1.56 H new ATOM 0 H73 DT A 21 11.539 -6.928 -3.796 1.00 1.56 H new ATOM 0 H6 DT A 21 11.147 -7.768 -0.263 1.00 1.17 H new TER 677 DT A 21