USER MOD reduce.3.24.130724 H: found=0, std=0, add=241, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 241 hydrogens (18 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 6:sc= 0.893 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.58! (180deg=-7.25!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.289 -3.601 -7.411 1.00 0.00 O ATOM 2 C5' DG A 1 3.342 -3.605 -8.837 1.00 0.00 C ATOM 3 C4' DG A 1 1.981 -3.275 -9.453 1.00 0.00 C ATOM 4 O4' DG A 1 1.006 -4.217 -9.003 1.00 0.00 O ATOM 5 C3' DG A 1 1.448 -1.903 -9.089 1.00 0.00 C ATOM 6 O3' DG A 1 1.928 -0.927 -10.019 1.00 0.00 O ATOM 7 C2' DG A 1 -0.057 -2.072 -9.244 1.00 0.00 C ATOM 8 C1' DG A 1 -0.272 -3.560 -8.967 1.00 0.00 C ATOM 9 N9 DG A 1 -0.886 -3.826 -7.652 1.00 0.00 N ATOM 10 C8 DG A 1 -2.195 -3.711 -7.277 1.00 0.00 C ATOM 11 N7 DG A 1 -2.441 -3.989 -6.034 1.00 0.00 N ATOM 12 C5 DG A 1 -1.185 -4.322 -5.527 1.00 0.00 C ATOM 13 C6 DG A 1 -0.811 -4.719 -4.213 1.00 0.00 C ATOM 14 O6 DG A 1 -1.526 -4.850 -3.222 1.00 0.00 O ATOM 15 N1 DG A 1 0.554 -4.965 -4.126 1.00 0.00 N ATOM 16 C2 DG A 1 1.448 -4.845 -5.169 1.00 0.00 C ATOM 17 N2 DG A 1 2.721 -5.129 -4.888 1.00 0.00 N ATOM 18 N3 DG A 1 1.100 -4.470 -6.406 1.00 0.00 N ATOM 19 C4 DG A 1 -0.226 -4.226 -6.512 1.00 0.00 C ATOM 0 H5' DG A 1 3.672 -4.583 -9.186 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.081 -2.879 -9.176 1.00 0.00 H new ATOM 0 H4' DG A 1 2.144 -3.308 -10.530 1.00 0.00 H new ATOM 0 H3' DG A 1 1.750 -1.569 -8.096 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.607 -1.448 -8.540 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.392 -1.796 -10.244 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.363 -3.471 -7.118 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.955 -3.934 -9.730 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.970 -3.410 -7.967 1.00 0.00 H new ATOM 0 H1 DG A 1 0.923 -5.257 -3.221 1.00 0.00 H new ATOM 0 H21 DG A 1 3.432 -5.060 -5.616 1.00 0.00 H new ATOM 0 H22 DG A 1 2.983 -5.415 -3.945 1.00 0.00 H new ATOM 32 P DG A 2 2.178 0.590 -9.543 1.00 0.00 P ATOM 33 OP1 DG A 2 2.675 1.367 -10.700 1.00 0.00 O ATOM 34 OP2 DG A 2 2.960 0.553 -8.287 1.00 0.00 O ATOM 35 O5' DG A 2 0.688 1.098 -9.194 1.00 0.00 O ATOM 36 C5' DG A 2 -0.292 1.228 -10.228 1.00 0.00 C ATOM 37 C4' DG A 2 -1.705 1.355 -9.660 1.00 0.00 C ATOM 38 O4' DG A 2 -2.038 0.191 -8.913 1.00 0.00 O ATOM 39 C3' DG A 2 -1.898 2.546 -8.730 1.00 0.00 C ATOM 40 O3' DG A 2 -2.331 3.687 -9.472 1.00 0.00 O ATOM 41 C2' DG A 2 -3.003 2.080 -7.802 1.00 0.00 C ATOM 42 C1' DG A 2 -2.743 0.577 -7.722 1.00 0.00 C ATOM 43 N9 DG A 2 -1.915 0.185 -6.565 1.00 0.00 N ATOM 44 C8 DG A 2 -0.555 0.098 -6.469 1.00 0.00 C ATOM 45 N7 DG A 2 -0.105 -0.246 -5.300 1.00 0.00 N ATOM 46 C5 DG A 2 -1.265 -0.404 -4.544 1.00 0.00 C ATOM 47 C6 DG A 2 -1.422 -0.774 -3.179 1.00 0.00 C ATOM 48 O6 DG A 2 -0.548 -1.032 -2.353 1.00 0.00 O ATOM 49 N1 DG A 2 -2.761 -0.818 -2.814 1.00 0.00 N ATOM 50 C2 DG A 2 -3.821 -0.542 -3.653 1.00 0.00 C ATOM 51 N2 DG A 2 -5.039 -0.642 -3.120 1.00 0.00 N ATOM 52 N3 DG A 2 -3.677 -0.192 -4.935 1.00 0.00 N ATOM 53 C4 DG A 2 -2.379 -0.143 -5.311 1.00 0.00 C ATOM 0 H5' DG A 2 -0.242 0.361 -10.887 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.065 2.104 -10.836 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.347 1.491 -10.530 1.00 0.00 H new ATOM 0 H3' DG A 2 -0.987 2.838 -8.208 1.00 0.00 H new ATOM 0 H2' DG A 2 -2.941 2.557 -6.824 1.00 0.00 H new ATOM 0 H2'' DG A 2 -3.992 2.302 -8.203 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.709 0.084 -7.615 1.00 0.00 H new ATOM 0 H8 DG A 2 0.099 0.301 -7.305 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.978 -1.074 -1.851 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.863 -0.450 -3.690 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.147 -0.910 -2.142 1.00 0.00 H new ATOM 65 P DG A 3 -2.225 5.154 -8.824 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.359 6.152 -9.909 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.040 5.183 -7.937 1.00 0.00 O ATOM 68 O5' DG A 3 -3.547 5.225 -7.907 1.00 0.00 O ATOM 69 C5' DG A 3 -4.840 5.064 -8.494 1.00 0.00 C ATOM 70 C4' DG A 3 -5.947 5.119 -7.446 1.00 0.00 C ATOM 71 O4' DG A 3 -5.627 4.213 -6.377 1.00 0.00 O ATOM 72 C3' DG A 3 -6.142 6.501 -6.829 1.00 0.00 C ATOM 73 O3' DG A 3 -7.540 6.755 -6.660 1.00 0.00 O ATOM 74 C2' DG A 3 -5.469 6.419 -5.466 1.00 0.00 C ATOM 75 C1' DG A 3 -5.515 4.930 -5.144 1.00 0.00 C ATOM 76 N9 DG A 3 -4.314 4.429 -4.448 1.00 0.00 N ATOM 77 C8 DG A 3 -3.032 4.322 -4.910 1.00 0.00 C ATOM 78 N7 DG A 3 -2.175 3.850 -4.056 1.00 0.00 N ATOM 79 C5 DG A 3 -2.948 3.620 -2.921 1.00 0.00 C ATOM 80 C6 DG A 3 -2.569 3.104 -1.652 1.00 0.00 C ATOM 81 O6 DG A 3 -1.455 2.746 -1.277 1.00 0.00 O ATOM 82 N1 DG A 3 -3.654 3.030 -0.788 1.00 0.00 N ATOM 83 C2 DG A 3 -4.945 3.404 -1.103 1.00 0.00 C ATOM 84 N2 DG A 3 -5.854 3.255 -0.140 1.00 0.00 N ATOM 85 N3 DG A 3 -5.305 3.890 -2.296 1.00 0.00 N ATOM 86 C4 DG A 3 -4.260 3.970 -3.152 1.00 0.00 C ATOM 0 H5' DG A 3 -4.884 4.111 -9.020 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.002 5.846 -9.236 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.868 4.850 -7.963 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.728 7.296 -7.449 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.445 6.792 -5.499 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.000 7.009 -4.719 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.364 4.779 -4.477 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.752 4.609 -5.913 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.484 2.672 0.152 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.826 3.514 -0.311 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.578 2.882 0.768 1.00 0.00 H new ATOM 98 P DG A 4 -8.358 7.591 -7.766 1.00 0.00 P ATOM 99 OP1 DG A 4 -7.542 8.762 -8.158 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.739 7.786 -7.272 1.00 0.00 O ATOM 101 O5' DG A 4 -8.409 6.571 -9.011 1.00 0.00 O ATOM 102 C5' DG A 4 -9.581 6.481 -9.825 1.00 0.00 C ATOM 103 C4' DG A 4 -9.313 5.707 -11.112 1.00 0.00 C ATOM 104 O4' DG A 4 -8.391 6.455 -11.909 1.00 0.00 O ATOM 105 C3' DG A 4 -8.720 4.325 -10.883 1.00 0.00 C ATOM 106 O3' DG A 4 -9.242 3.411 -11.854 1.00 0.00 O ATOM 107 C2' DG A 4 -7.227 4.520 -11.107 1.00 0.00 C ATOM 108 C1' DG A 4 -7.145 5.752 -12.005 1.00 0.00 C ATOM 109 N9 DG A 4 -6.076 6.695 -11.631 1.00 0.00 N ATOM 110 C8 DG A 4 -6.113 7.731 -10.742 1.00 0.00 C ATOM 111 N7 DG A 4 -5.004 8.396 -10.622 1.00 0.00 N ATOM 112 C5 DG A 4 -4.147 7.748 -11.511 1.00 0.00 C ATOM 113 C6 DG A 4 -2.788 8.019 -11.824 1.00 0.00 C ATOM 114 O6 DG A 4 -2.063 8.901 -11.370 1.00 0.00 O ATOM 115 N1 DG A 4 -2.297 7.130 -12.772 1.00 0.00 N ATOM 116 C2 DG A 4 -3.022 6.106 -13.347 1.00 0.00 C ATOM 117 N2 DG A 4 -2.378 5.354 -14.240 1.00 0.00 N ATOM 118 N3 DG A 4 -4.300 5.848 -13.053 1.00 0.00 N ATOM 119 C4 DG A 4 -4.796 6.706 -12.132 1.00 0.00 C ATOM 0 H5' DG A 4 -9.933 7.483 -10.069 1.00 0.00 H new ATOM 0 H5'' DG A 4 -10.377 5.991 -9.264 1.00 0.00 H new ATOM 0 H4' DG A 4 -10.277 5.570 -11.602 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.949 3.922 -9.896 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.699 4.676 -10.166 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.778 3.649 -11.583 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.927 5.394 -13.011 1.00 0.00 H new ATOM 0 H8 DG A 4 -7.001 7.979 -10.179 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.327 7.243 -13.065 1.00 0.00 H new ATOM 0 H21 DG A 4 -2.861 4.582 -14.699 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.403 5.551 -14.464 1.00 0.00 H new ATOM 131 P DC A 5 -10.052 2.097 -11.390 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.701 1.509 -12.583 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.865 2.452 -10.206 1.00 0.00 O ATOM 134 O5' DC A 5 -8.875 1.104 -10.914 1.00 0.00 O ATOM 135 C5' DC A 5 -7.851 0.705 -11.830 1.00 0.00 C ATOM 136 C4' DC A 5 -6.941 -0.370 -11.233 1.00 0.00 C ATOM 137 O4' DC A 5 -6.302 0.123 -10.032 1.00 0.00 O ATOM 138 C3' DC A 5 -7.669 -1.661 -10.850 1.00 0.00 C ATOM 139 O3' DC A 5 -6.861 -2.792 -11.203 1.00 0.00 O ATOM 140 C2' DC A 5 -7.780 -1.571 -9.339 1.00 0.00 C ATOM 141 C1' DC A 5 -6.474 -0.866 -9.013 1.00 0.00 C ATOM 142 N1 DC A 5 -6.431 -0.189 -7.701 1.00 0.00 N ATOM 143 C2 DC A 5 -6.163 -0.974 -6.592 1.00 0.00 C ATOM 144 O2 DC A 5 -5.980 -2.183 -6.725 1.00 0.00 O ATOM 145 N3 DC A 5 -6.089 -0.371 -5.374 1.00 0.00 N ATOM 146 C4 DC A 5 -6.272 0.951 -5.247 1.00 0.00 C ATOM 147 N4 DC A 5 -6.189 1.511 -4.038 1.00 0.00 N ATOM 148 C5 DC A 5 -6.550 1.767 -6.391 1.00 0.00 C ATOM 149 C6 DC A 5 -6.621 1.158 -7.592 1.00 0.00 C ATOM 0 H5' DC A 5 -7.254 1.573 -12.108 1.00 0.00 H new ATOM 0 H5'' DC A 5 -8.309 0.327 -12.744 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.223 -0.598 -12.021 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.632 -1.775 -11.348 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.652 -1.000 -9.020 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.852 -2.552 -8.868 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.691 -1.623 -8.970 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.327 2.516 -3.931 1.00 0.00 H new ATOM 0 H42 DC A 5 -5.988 0.934 -3.221 1.00 0.00 H new ATOM 0 H5 DC A 5 -6.698 2.833 -6.295 1.00 0.00 H new ATOM 0 H6 DC A 5 -6.830 1.742 -8.476 1.00 0.00 H new ATOM 161 P DG A 6 -7.540 -4.205 -11.583 1.00 0.00 P ATOM 162 OP1 DG A 6 -6.509 -5.055 -12.220 1.00 0.00 O ATOM 163 OP2 DG A 6 -8.809 -3.931 -12.294 1.00 0.00 O ATOM 164 O5' DG A 6 -7.891 -4.838 -10.140 1.00 0.00 O ATOM 165 C5' DG A 6 -8.977 -5.762 -10.001 1.00 0.00 C ATOM 166 C4' DG A 6 -9.110 -6.294 -8.573 1.00 0.00 C ATOM 167 O4' DG A 6 -7.981 -7.079 -8.216 1.00 0.00 O ATOM 168 C3' DG A 6 -9.216 -5.224 -7.502 1.00 0.00 C ATOM 169 O3' DG A 6 -10.576 -4.810 -7.359 1.00 0.00 O ATOM 170 C2' DG A 6 -8.766 -5.960 -6.247 1.00 0.00 C ATOM 171 C1' DG A 6 -7.861 -7.070 -6.787 1.00 0.00 C ATOM 172 N9 DG A 6 -6.444 -6.879 -6.448 1.00 0.00 N ATOM 173 C8 DG A 6 -5.474 -6.220 -7.144 1.00 0.00 C ATOM 174 N7 DG A 6 -4.306 -6.199 -6.575 1.00 0.00 N ATOM 175 C5 DG A 6 -4.516 -6.906 -5.392 1.00 0.00 C ATOM 176 C6 DG A 6 -3.609 -7.219 -4.346 1.00 0.00 C ATOM 177 O6 DG A 6 -2.420 -6.925 -4.255 1.00 0.00 O ATOM 178 N1 DG A 6 -4.227 -7.947 -3.337 1.00 0.00 N ATOM 179 C2 DG A 6 -5.551 -8.329 -3.331 1.00 0.00 C ATOM 180 N2 DG A 6 -5.960 -9.024 -2.268 1.00 0.00 N ATOM 181 N3 DG A 6 -6.409 -8.037 -4.314 1.00 0.00 N ATOM 182 C4 DG A 6 -5.823 -7.327 -5.308 1.00 0.00 C ATOM 0 H5' DG A 6 -8.829 -6.598 -10.685 1.00 0.00 H new ATOM 0 H5'' DG A 6 -9.907 -5.273 -10.292 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.038 -6.866 -8.600 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.632 -4.330 -7.719 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.229 -5.300 -5.566 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.613 -6.366 -5.695 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.180 -8.007 -6.331 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.663 -5.750 -8.098 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.656 -8.220 -2.537 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.929 -9.336 -2.205 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.303 -9.244 -1.519 1.00 0.00 H new ATOM 194 P DG A 7 -10.934 -3.292 -6.953 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.394 -3.108 -7.114 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.994 -2.388 -7.652 1.00 0.00 O ATOM 197 O5' DG A 7 -10.590 -3.257 -5.377 1.00 0.00 O ATOM 198 C5' DG A 7 -11.355 -4.049 -4.468 1.00 0.00 C ATOM 199 C4' DG A 7 -10.963 -3.814 -3.007 1.00 0.00 C ATOM 200 O4' DG A 7 -9.692 -4.397 -2.671 1.00 0.00 O ATOM 201 C3' DG A 7 -10.869 -2.343 -2.583 1.00 0.00 C ATOM 202 O3' DG A 7 -12.054 -1.987 -1.858 1.00 0.00 O ATOM 203 C2' DG A 7 -9.656 -2.304 -1.643 1.00 0.00 C ATOM 204 C1' DG A 7 -9.396 -3.787 -1.423 1.00 0.00 C ATOM 205 N9 DG A 7 -8.025 -4.152 -0.988 1.00 0.00 N ATOM 206 C8 DG A 7 -7.628 -4.529 0.262 1.00 0.00 C ATOM 207 N7 DG A 7 -6.364 -4.768 0.398 1.00 0.00 N ATOM 208 C5 DG A 7 -5.851 -4.537 -0.872 1.00 0.00 C ATOM 209 C6 DG A 7 -4.512 -4.641 -1.332 1.00 0.00 C ATOM 210 O6 DG A 7 -3.509 -4.951 -0.692 1.00 0.00 O ATOM 211 N1 DG A 7 -4.407 -4.328 -2.676 1.00 0.00 N ATOM 212 C2 DG A 7 -5.462 -3.959 -3.488 1.00 0.00 C ATOM 213 N2 DG A 7 -5.158 -3.701 -4.758 1.00 0.00 N ATOM 214 N3 DG A 7 -6.735 -3.856 -3.060 1.00 0.00 N ATOM 215 C4 DG A 7 -6.856 -4.159 -1.742 1.00 0.00 C ATOM 0 H5' DG A 7 -11.223 -5.103 -4.711 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.413 -3.823 -4.597 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.786 -4.292 -2.476 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.772 -1.657 -3.425 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.802 -1.800 -2.096 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.876 -1.783 -0.711 1.00 0.00 H new ATOM 0 H1' DG A 7 -10.015 -4.127 -0.593 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.323 -4.622 1.083 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.480 -4.373 -3.099 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.890 -3.423 -5.411 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.193 -3.781 -5.078 1.00 0.00 H new ATOM 227 P DG A 8 -12.313 -0.471 -1.389 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.745 -0.338 -1.040 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.710 0.434 -2.393 1.00 0.00 O ATOM 230 O5' DG A 8 -11.451 -0.367 -0.031 1.00 0.00 O ATOM 231 C5' DG A 8 -11.754 -1.216 1.079 1.00 0.00 C ATOM 232 C4' DG A 8 -10.616 -1.258 2.094 1.00 0.00 C ATOM 233 O4' DG A 8 -9.426 -1.767 1.510 1.00 0.00 O ATOM 234 C3' DG A 8 -10.245 0.099 2.675 1.00 0.00 C ATOM 235 O3' DG A 8 -10.960 0.314 3.894 1.00 0.00 O ATOM 236 C2' DG A 8 -8.751 -0.017 2.973 1.00 0.00 C ATOM 237 C1' DG A 8 -8.341 -1.350 2.339 1.00 0.00 C ATOM 238 N9 DG A 8 -7.127 -1.277 1.506 1.00 0.00 N ATOM 239 C8 DG A 8 -6.999 -0.952 0.186 1.00 0.00 C ATOM 240 N7 DG A 8 -5.781 -0.963 -0.270 1.00 0.00 N ATOM 241 C5 DG A 8 -5.027 -1.330 0.845 1.00 0.00 C ATOM 242 C6 DG A 8 -3.623 -1.514 0.979 1.00 0.00 C ATOM 243 O6 DG A 8 -2.752 -1.382 0.123 1.00 0.00 O ATOM 244 N1 DG A 8 -3.280 -1.886 2.273 1.00 0.00 N ATOM 245 C2 DG A 8 -4.171 -2.061 3.311 1.00 0.00 C ATOM 246 N2 DG A 8 -3.652 -2.426 4.482 1.00 0.00 N ATOM 247 N3 DG A 8 -5.489 -1.887 3.189 1.00 0.00 N ATOM 248 C4 DG A 8 -5.846 -1.524 1.936 1.00 0.00 C ATOM 0 H5' DG A 8 -11.956 -2.225 0.719 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.663 -0.864 1.567 1.00 0.00 H new ATOM 0 H4' DG A 8 -11.000 -1.899 2.888 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.481 0.924 2.003 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.194 0.816 2.544 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.558 -0.011 4.046 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.115 -2.044 3.149 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.848 -0.704 -0.434 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.292 -2.042 2.471 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.261 -2.571 5.287 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.645 -2.561 4.574 1.00 0.00 H new ATOM 260 P DG A 9 -10.835 1.719 4.669 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.950 1.815 5.639 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.643 2.782 3.659 1.00 0.00 O ATOM 263 O5' DG A 9 -9.460 1.549 5.492 1.00 0.00 O ATOM 264 C5' DG A 9 -9.279 0.450 6.391 1.00 0.00 C ATOM 265 C4' DG A 9 -7.815 0.294 6.813 1.00 0.00 C ATOM 266 O4' DG A 9 -6.966 0.297 5.648 1.00 0.00 O ATOM 267 C3' DG A 9 -7.296 1.430 7.714 1.00 0.00 C ATOM 268 O3' DG A 9 -6.418 0.892 8.712 1.00 0.00 O ATOM 269 C2' DG A 9 -6.472 2.270 6.760 1.00 0.00 C ATOM 270 C1' DG A 9 -5.873 1.163 5.934 1.00 0.00 C ATOM 271 N9 DG A 9 -5.224 1.573 4.679 1.00 0.00 N ATOM 272 C8 DG A 9 -5.758 2.095 3.537 1.00 0.00 C ATOM 273 N7 DG A 9 -4.893 2.364 2.601 1.00 0.00 N ATOM 274 C5 DG A 9 -3.677 1.985 3.175 1.00 0.00 C ATOM 275 C6 DG A 9 -2.357 2.037 2.646 1.00 0.00 C ATOM 276 O6 DG A 9 -1.990 2.439 1.544 1.00 0.00 O ATOM 277 N1 DG A 9 -1.424 1.554 3.560 1.00 0.00 N ATOM 278 C2 DG A 9 -1.723 1.081 4.821 1.00 0.00 C ATOM 279 N2 DG A 9 -0.698 0.654 5.557 1.00 0.00 N ATOM 280 N3 DG A 9 -2.958 1.035 5.316 1.00 0.00 N ATOM 281 C4 DG A 9 -3.878 1.501 4.444 1.00 0.00 C ATOM 0 H5' DG A 9 -9.620 -0.469 5.914 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.898 0.599 7.276 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.782 -0.643 7.368 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.094 1.974 8.219 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.080 2.955 6.169 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.719 2.871 7.270 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.061 0.708 6.501 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.817 2.272 3.418 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.445 1.550 3.275 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.860 0.294 6.497 1.00 0.00 H new ATOM 0 H22 DG A 9 0.249 0.687 5.180 1.00 0.00 H new ATOM 293 P DC A 10 -6.982 0.225 10.063 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.229 0.925 10.440 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.866 0.130 11.031 1.00 0.00 O ATOM 296 O5' DC A 10 -7.356 -1.264 9.583 1.00 0.00 O ATOM 297 C5' DC A 10 -6.330 -2.246 9.406 1.00 0.00 C ATOM 298 C4' DC A 10 -6.922 -3.621 9.123 1.00 0.00 C ATOM 299 O4' DC A 10 -7.694 -4.045 10.249 1.00 0.00 O ATOM 300 C3' DC A 10 -7.837 -3.649 7.910 1.00 0.00 C ATOM 301 O3' DC A 10 -7.757 -4.929 7.278 1.00 0.00 O ATOM 302 C2' DC A 10 -9.223 -3.451 8.500 1.00 0.00 C ATOM 303 C1' DC A 10 -9.089 -4.014 9.915 1.00 0.00 C ATOM 304 N1 DC A 10 -9.774 -3.219 10.952 1.00 0.00 N ATOM 305 C2 DC A 10 -11.105 -3.510 11.206 1.00 0.00 C ATOM 306 O2 DC A 10 -11.674 -4.394 10.569 1.00 0.00 O ATOM 307 N3 DC A 10 -11.750 -2.798 12.172 1.00 0.00 N ATOM 308 C4 DC A 10 -11.116 -1.839 12.859 1.00 0.00 C ATOM 309 N4 DC A 10 -11.777 -1.163 13.800 1.00 0.00 N ATOM 310 C5 DC A 10 -9.741 -1.533 12.599 1.00 0.00 C ATOM 311 C6 DC A 10 -9.113 -2.243 11.642 1.00 0.00 C ATOM 0 H5' DC A 10 -5.710 -2.292 10.301 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.680 -1.951 8.582 1.00 0.00 H new ATOM 0 H4' DC A 10 -6.076 -4.280 8.926 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.582 -2.899 7.162 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.508 -2.399 8.511 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.983 -3.981 7.927 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.556 -4.999 9.904 1.00 0.00 H new ATOM 0 H41 DC A 10 -11.304 -0.431 14.329 1.00 0.00 H new ATOM 0 H42 DC A 10 -12.756 -1.379 13.990 1.00 0.00 H new ATOM 0 H5 DC A 10 -9.226 -0.760 13.151 1.00 0.00 H new ATOM 0 H6 DC A 10 -8.076 -2.039 11.418 1.00 0.00 H new ATOM 323 P DG A 11 -6.760 -5.160 6.035 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.507 -3.852 5.394 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.278 -6.291 5.231 1.00 0.00 O ATOM 326 O5' DG A 11 -5.402 -5.635 6.757 1.00 0.00 O ATOM 327 C5' DG A 11 -5.349 -6.896 7.425 1.00 0.00 C ATOM 328 C4' DG A 11 -3.964 -7.188 7.995 1.00 0.00 C ATOM 329 O4' DG A 11 -3.076 -7.576 6.911 1.00 0.00 O ATOM 330 C3' DG A 11 -3.325 -6.020 8.729 1.00 0.00 C ATOM 331 O3' DG A 11 -2.711 -6.482 9.939 1.00 0.00 O ATOM 332 C2' DG A 11 -2.250 -5.535 7.759 1.00 0.00 C ATOM 333 C1' DG A 11 -1.862 -6.829 7.034 1.00 0.00 C ATOM 334 N9 DG A 11 -1.292 -6.641 5.686 1.00 0.00 N ATOM 335 C8 DG A 11 0.005 -6.776 5.289 1.00 0.00 C ATOM 336 N7 DG A 11 0.228 -6.534 4.033 1.00 0.00 N ATOM 337 C5 DG A 11 -1.033 -6.208 3.543 1.00 0.00 C ATOM 338 C6 DG A 11 -1.431 -5.847 2.228 1.00 0.00 C ATOM 339 O6 DG A 11 -0.732 -5.743 1.222 1.00 0.00 O ATOM 340 N1 DG A 11 -2.794 -5.596 2.158 1.00 0.00 N ATOM 341 C2 DG A 11 -3.671 -5.681 3.220 1.00 0.00 C ATOM 342 N2 DG A 11 -4.946 -5.399 2.952 1.00 0.00 N ATOM 343 N3 DG A 11 -3.303 -6.022 4.460 1.00 0.00 N ATOM 344 C4 DG A 11 -1.974 -6.271 4.548 1.00 0.00 C ATOM 0 H5' DG A 11 -5.627 -7.687 6.728 1.00 0.00 H new ATOM 0 H5'' DG A 11 -6.082 -6.909 8.231 1.00 0.00 H new ATOM 0 H4' DG A 11 -4.106 -7.984 8.726 1.00 0.00 H new ATOM 0 H3' DG A 11 -4.040 -5.244 9.004 1.00 0.00 H new ATOM 0 H2' DG A 11 -2.633 -4.781 7.071 1.00 0.00 H new ATOM 0 H2'' DG A 11 -1.402 -5.090 8.280 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.079 -7.321 7.611 1.00 0.00 H new ATOM 0 H8 DG A 11 0.791 -7.064 5.971 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.177 -5.328 1.252 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.645 -5.443 3.694 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.223 -5.139 2.005 1.00 0.00 H new ATOM 356 P DG A 12 -2.233 -5.433 11.061 1.00 0.00 P ATOM 357 OP1 DG A 12 -1.942 -6.182 12.305 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.198 -4.312 11.081 1.00 0.00 O ATOM 359 O5' DG A 12 -0.839 -4.892 10.464 1.00 0.00 O ATOM 360 C5' DG A 12 0.289 -5.764 10.362 1.00 0.00 C ATOM 361 C4' DG A 12 1.361 -5.195 9.435 1.00 0.00 C ATOM 362 O4' DG A 12 0.903 -5.095 8.110 1.00 0.00 O ATOM 363 C3' DG A 12 1.820 -3.791 9.801 1.00 0.00 C ATOM 364 O3' DG A 12 2.922 -3.869 10.708 1.00 0.00 O ATOM 365 C2' DG A 12 2.282 -3.193 8.477 1.00 0.00 C ATOM 366 C1' DG A 12 1.758 -4.173 7.423 1.00 0.00 C ATOM 367 N9 DG A 12 0.969 -3.552 6.342 1.00 0.00 N ATOM 368 C8 DG A 12 -0.347 -3.187 6.336 1.00 0.00 C ATOM 369 N7 DG A 12 -0.767 -2.653 5.228 1.00 0.00 N ATOM 370 C5 DG A 12 0.369 -2.661 4.421 1.00 0.00 C ATOM 371 C6 DG A 12 0.541 -2.204 3.086 1.00 0.00 C ATOM 372 O6 DG A 12 -0.290 -1.685 2.345 1.00 0.00 O ATOM 373 N1 DG A 12 1.843 -2.398 2.645 1.00 0.00 N ATOM 374 C2 DG A 12 2.858 -2.963 3.392 1.00 0.00 C ATOM 375 N2 DG A 12 4.044 -3.070 2.792 1.00 0.00 N ATOM 376 N3 DG A 12 2.699 -3.392 4.647 1.00 0.00 N ATOM 377 C4 DG A 12 1.436 -3.211 5.096 1.00 0.00 C ATOM 0 H5' DG A 12 -0.035 -6.736 9.990 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.714 -5.927 11.353 1.00 0.00 H new ATOM 0 H4' DG A 12 2.185 -5.900 9.543 1.00 0.00 H new ATOM 0 H3' DG A 12 1.040 -3.200 10.280 1.00 0.00 H new ATOM 0 H2' DG A 12 1.876 -2.192 8.328 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.368 -3.106 8.436 1.00 0.00 H new ATOM 0 H1' DG A 12 2.624 -4.631 6.946 1.00 0.00 H new ATOM 0 H8 DG A 12 -0.992 -3.332 7.190 1.00 0.00 H new ATOM 0 H1 DG A 12 2.067 -2.100 1.696 1.00 0.00 H new ATOM 0 H21 DG A 12 4.833 -3.479 3.292 1.00 0.00 H new ATOM 0 H22 DG A 12 4.162 -2.743 1.833 1.00 0.00 H new ATOM 389 P DG A 13 3.439 -2.551 11.474 1.00 0.00 P ATOM 390 OP1 DG A 13 4.304 -2.978 12.598 1.00 0.00 O ATOM 391 OP2 DG A 13 2.274 -1.676 11.730 1.00 0.00 O ATOM 392 O5' DG A 13 4.368 -1.846 10.363 1.00 0.00 O ATOM 393 C5' DG A 13 5.525 -2.519 9.859 1.00 0.00 C ATOM 394 C4' DG A 13 6.091 -1.833 8.618 1.00 0.00 C ATOM 395 O4' DG A 13 5.133 -1.782 7.585 1.00 0.00 O ATOM 396 C3' DG A 13 6.524 -0.391 8.841 1.00 0.00 C ATOM 397 O3' DG A 13 7.899 -0.354 9.225 1.00 0.00 O ATOM 398 C2' DG A 13 6.356 0.255 7.466 1.00 0.00 C ATOM 399 C1' DG A 13 5.552 -0.773 6.663 1.00 0.00 C ATOM 400 N9 DG A 13 4.351 -0.229 6.005 1.00 0.00 N ATOM 401 C8 DG A 13 3.092 -0.059 6.506 1.00 0.00 C ATOM 402 N7 DG A 13 2.233 0.455 5.677 1.00 0.00 N ATOM 403 C5 DG A 13 2.983 0.647 4.519 1.00 0.00 C ATOM 404 C6 DG A 13 2.596 1.182 3.259 1.00 0.00 C ATOM 405 O6 DG A 13 1.494 1.604 2.916 1.00 0.00 O ATOM 406 N1 DG A 13 3.661 1.198 2.366 1.00 0.00 N ATOM 407 C2 DG A 13 4.937 0.755 2.644 1.00 0.00 C ATOM 408 N2 DG A 13 5.824 0.845 1.654 1.00 0.00 N ATOM 409 N3 DG A 13 5.303 0.254 3.827 1.00 0.00 N ATOM 410 C4 DG A 13 4.281 0.230 4.713 1.00 0.00 C ATOM 0 H5' DG A 13 5.268 -3.550 9.618 1.00 0.00 H new ATOM 0 H5'' DG A 13 6.290 -2.554 10.634 1.00 0.00 H new ATOM 0 H4' DG A 13 6.960 -2.439 8.361 1.00 0.00 H new ATOM 0 H3' DG A 13 5.953 0.110 9.622 1.00 0.00 H new ATOM 0 H2' DG A 13 5.829 1.207 7.535 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.321 0.458 7.001 1.00 0.00 H new ATOM 0 H1' DG A 13 6.196 -1.142 5.865 1.00 0.00 H new ATOM 0 H8 DG A 13 2.829 -0.332 7.517 1.00 0.00 H new ATOM 0 H1 DG A 13 3.485 1.566 1.431 1.00 0.00 H new ATOM 0 H21 DG A 13 6.784 0.533 1.800 1.00 0.00 H new ATOM 0 H22 DG A 13 5.543 1.226 0.750 1.00 0.00 H new ATOM 422 P DG A 14 8.475 0.893 10.063 1.00 0.00 P ATOM 423 OP1 DG A 14 9.835 0.548 10.534 1.00 0.00 O ATOM 424 OP2 DG A 14 7.441 1.312 11.036 1.00 0.00 O ATOM 425 O5' DG A 14 8.608 2.040 8.939 1.00 0.00 O ATOM 426 C5' DG A 14 9.466 1.856 7.807 1.00 0.00 C ATOM 427 C4' DG A 14 9.067 2.754 6.640 1.00 0.00 C ATOM 428 O4' DG A 14 7.664 2.592 6.396 1.00 0.00 O ATOM 429 C3' DG A 14 9.333 4.237 6.892 1.00 0.00 C ATOM 430 O3' DG A 14 10.377 4.681 6.021 1.00 0.00 O ATOM 431 C2' DG A 14 8.035 4.947 6.522 1.00 0.00 C ATOM 432 C1' DG A 14 6.986 3.844 6.513 1.00 0.00 C ATOM 433 N9 DG A 14 6.158 3.786 7.726 1.00 0.00 N ATOM 434 C8 DG A 14 6.521 3.474 9.004 1.00 0.00 C ATOM 435 N7 DG A 14 5.557 3.503 9.874 1.00 0.00 N ATOM 436 C5 DG A 14 4.451 3.866 9.110 1.00 0.00 C ATOM 437 C6 DG A 14 3.098 4.062 9.502 1.00 0.00 C ATOM 438 O6 DG A 14 2.606 3.955 10.623 1.00 0.00 O ATOM 439 N1 DG A 14 2.303 4.419 8.421 1.00 0.00 N ATOM 440 C2 DG A 14 2.750 4.571 7.124 1.00 0.00 C ATOM 441 N2 DG A 14 1.833 4.913 6.219 1.00 0.00 N ATOM 442 N3 DG A 14 4.021 4.391 6.754 1.00 0.00 N ATOM 443 C4 DG A 14 4.811 4.042 7.793 1.00 0.00 C ATOM 0 H5' DG A 14 9.432 0.813 7.491 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.496 2.069 8.093 1.00 0.00 H new ATOM 0 H4' DG A 14 9.676 2.452 5.788 1.00 0.00 H new ATOM 0 H3' DG A 14 9.632 4.434 7.921 1.00 0.00 H new ATOM 0 H2' DG A 14 7.788 5.724 7.245 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.111 5.431 5.548 1.00 0.00 H new ATOM 0 H1' DG A 14 6.318 4.057 5.679 1.00 0.00 H new ATOM 0 H8 DG A 14 7.536 3.221 9.272 1.00 0.00 H new ATOM 0 H1 DG A 14 1.312 4.582 8.599 1.00 0.00 H new ATOM 0 H21 DG A 14 2.102 5.040 5.243 1.00 0.00 H new ATOM 0 H22 DG A 14 0.862 5.047 6.502 1.00 0.00 H new ATOM 455 P DC A 15 11.896 4.792 6.542 1.00 0.00 P ATOM 456 OP1 DC A 15 11.871 5.116 7.985 1.00 0.00 O ATOM 457 OP2 DC A 15 12.644 5.656 5.603 1.00 0.00 O ATOM 458 O5' DC A 15 12.433 3.284 6.371 1.00 0.00 O ATOM 459 C5' DC A 15 12.951 2.843 5.114 1.00 0.00 C ATOM 460 C4' DC A 15 13.652 1.494 5.238 1.00 0.00 C ATOM 461 O4' DC A 15 14.774 1.623 6.114 1.00 0.00 O ATOM 462 C3' DC A 15 12.765 0.389 5.798 1.00 0.00 C ATOM 463 O3' DC A 15 13.158 -0.868 5.244 1.00 0.00 O ATOM 464 C2' DC A 15 13.078 0.409 7.281 1.00 0.00 C ATOM 465 C1' DC A 15 14.521 0.900 7.326 1.00 0.00 C ATOM 466 N1 DC A 15 14.817 1.800 8.457 1.00 0.00 N ATOM 467 C2 DC A 15 15.213 1.214 9.647 1.00 0.00 C ATOM 468 O2 DC A 15 15.295 -0.009 9.732 1.00 0.00 O ATOM 469 N3 DC A 15 15.499 2.023 10.701 1.00 0.00 N ATOM 470 C4 DC A 15 15.403 3.355 10.594 1.00 0.00 C ATOM 471 N4 DC A 15 15.693 4.116 11.649 1.00 0.00 N ATOM 472 C5 DC A 15 14.994 3.965 9.368 1.00 0.00 C ATOM 473 C6 DC A 15 14.711 3.155 8.328 1.00 0.00 C ATOM 0 H5' DC A 15 13.652 3.584 4.728 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.138 2.766 4.392 1.00 0.00 H new ATOM 0 H4' DC A 15 13.941 1.213 4.225 1.00 0.00 H new ATOM 0 H3' DC A 15 11.707 0.530 5.576 1.00 0.00 H new ATOM 0 H2' DC A 15 12.409 1.076 7.825 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.975 -0.580 7.728 1.00 0.00 H new ATOM 0 H1' DC A 15 15.153 0.020 7.446 1.00 0.00 H new ATOM 0 H41 DC A 15 15.624 5.131 11.580 1.00 0.00 H new ATOM 0 H42 DC A 15 15.984 3.683 12.525 1.00 0.00 H new ATOM 0 H5 DC A 15 14.914 5.038 9.278 1.00 0.00 H new ATOM 0 H6 DC A 15 14.398 3.581 7.386 1.00 0.00 H new ATOM 485 P DG A 16 12.530 -1.385 3.856 1.00 0.00 P ATOM 486 OP1 DG A 16 12.872 -2.816 3.700 1.00 0.00 O ATOM 487 OP2 DG A 16 12.896 -0.419 2.796 1.00 0.00 O ATOM 488 O5' DG A 16 10.945 -1.271 4.123 1.00 0.00 O ATOM 489 C5' DG A 16 10.353 -1.890 5.271 1.00 0.00 C ATOM 490 C4' DG A 16 8.835 -1.734 5.278 1.00 0.00 C ATOM 491 O4' DG A 16 8.525 -0.337 5.201 1.00 0.00 O ATOM 492 C3' DG A 16 8.145 -2.432 4.113 1.00 0.00 C ATOM 493 O3' DG A 16 6.966 -3.092 4.589 1.00 0.00 O ATOM 494 C2' DG A 16 7.750 -1.319 3.145 1.00 0.00 C ATOM 495 C1' DG A 16 7.964 -0.024 3.924 1.00 0.00 C ATOM 496 N9 DG A 16 8.880 0.922 3.260 1.00 0.00 N ATOM 497 C8 DG A 16 10.083 0.676 2.662 1.00 0.00 C ATOM 498 N7 DG A 16 10.664 1.716 2.143 1.00 0.00 N ATOM 499 C5 DG A 16 9.772 2.750 2.419 1.00 0.00 C ATOM 500 C6 DG A 16 9.855 4.133 2.100 1.00 0.00 C ATOM 501 O6 DG A 16 10.749 4.725 1.497 1.00 0.00 O ATOM 502 N1 DG A 16 8.747 4.830 2.564 1.00 0.00 N ATOM 503 C2 DG A 16 7.688 4.270 3.248 1.00 0.00 C ATOM 504 N2 DG A 16 6.717 5.105 3.620 1.00 0.00 N ATOM 505 N3 DG A 16 7.605 2.969 3.546 1.00 0.00 N ATOM 506 C4 DG A 16 8.677 2.272 3.104 1.00 0.00 C ATOM 0 H5' DG A 16 10.768 -1.448 6.177 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.610 -2.949 5.286 1.00 0.00 H new ATOM 0 H4' DG A 16 8.472 -2.196 6.196 1.00 0.00 H new ATOM 0 H3' DG A 16 8.788 -3.174 3.640 1.00 0.00 H new ATOM 0 H2' DG A 16 8.363 -1.344 2.244 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.712 -1.422 2.828 1.00 0.00 H new ATOM 0 H1' DG A 16 6.987 0.453 3.999 1.00 0.00 H new ATOM 0 H8 DG A 16 10.520 -0.311 2.623 1.00 0.00 H new ATOM 0 H1 DG A 16 8.714 5.834 2.385 1.00 0.00 H new ATOM 0 H21 DG A 16 5.907 4.751 4.129 1.00 0.00 H new ATOM 0 H22 DG A 16 6.784 6.098 3.395 1.00 0.00 H new ATOM 518 P DG A 17 6.973 -4.676 4.884 1.00 0.00 P ATOM 519 OP1 DG A 17 5.684 -5.036 5.511 1.00 0.00 O ATOM 520 OP2 DG A 17 8.248 -5.018 5.560 1.00 0.00 O ATOM 521 O5' DG A 17 6.998 -5.305 3.398 1.00 0.00 O ATOM 522 C5' DG A 17 7.711 -6.514 3.137 1.00 0.00 C ATOM 523 C4' DG A 17 8.100 -6.633 1.664 1.00 0.00 C ATOM 524 O4' DG A 17 7.006 -7.168 0.891 1.00 0.00 O ATOM 525 C3' DG A 17 8.507 -5.315 1.011 1.00 0.00 C ATOM 526 O3' DG A 17 9.938 -5.210 1.008 1.00 0.00 O ATOM 527 C2' DG A 17 7.995 -5.403 -0.429 1.00 0.00 C ATOM 528 C1' DG A 17 7.130 -6.667 -0.439 1.00 0.00 C ATOM 529 N9 DG A 17 5.775 -6.440 -0.960 1.00 0.00 N ATOM 530 C8 DG A 17 5.379 -6.290 -2.253 1.00 0.00 C ATOM 531 N7 DG A 17 4.108 -6.094 -2.424 1.00 0.00 N ATOM 532 C5 DG A 17 3.604 -6.115 -1.124 1.00 0.00 C ATOM 533 C6 DG A 17 2.270 -5.955 -0.661 1.00 0.00 C ATOM 534 O6 DG A 17 1.252 -5.761 -1.322 1.00 0.00 O ATOM 535 N1 DG A 17 2.196 -6.042 0.723 1.00 0.00 N ATOM 536 C2 DG A 17 3.270 -6.255 1.560 1.00 0.00 C ATOM 537 N2 DG A 17 3.001 -6.300 2.865 1.00 0.00 N ATOM 538 N3 DG A 17 4.528 -6.409 1.129 1.00 0.00 N ATOM 539 C4 DG A 17 4.620 -6.327 -0.219 1.00 0.00 C ATOM 0 H5' DG A 17 7.096 -7.368 3.421 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.609 -6.548 3.754 1.00 0.00 H new ATOM 0 H4' DG A 17 8.966 -7.295 1.664 1.00 0.00 H new ATOM 0 H3' DG A 17 8.103 -4.450 1.536 1.00 0.00 H new ATOM 0 H2' DG A 17 7.416 -4.521 -0.701 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.817 -5.476 -1.141 1.00 0.00 H new ATOM 0 H1' DG A 17 7.631 -7.376 -1.098 1.00 0.00 H new ATOM 0 H8 DG A 17 6.074 -6.331 -3.079 1.00 0.00 H new ATOM 0 H1 DG A 17 1.277 -5.941 1.153 1.00 0.00 H new ATOM 0 H21 DG A 17 3.754 -6.455 3.536 1.00 0.00 H new ATOM 0 H22 DG A 17 2.043 -6.180 3.193 1.00 0.00 H new ATOM 551 P DG A 18 10.654 -3.816 1.373 1.00 0.00 P ATOM 552 OP1 DG A 18 12.118 -3.997 1.241 1.00 0.00 O ATOM 553 OP2 DG A 18 10.084 -3.331 2.652 1.00 0.00 O ATOM 554 O5' DG A 18 10.153 -2.850 0.184 1.00 0.00 O ATOM 555 C5' DG A 18 10.613 -3.064 -1.155 1.00 0.00 C ATOM 556 C4' DG A 18 9.696 -2.416 -2.190 1.00 0.00 C ATOM 557 O4' DG A 18 8.403 -2.991 -2.114 1.00 0.00 O ATOM 558 C3' DG A 18 9.508 -0.928 -2.000 1.00 0.00 C ATOM 559 O3' DG A 18 10.541 -0.219 -2.684 1.00 0.00 O ATOM 560 C2' DG A 18 8.165 -0.675 -2.676 1.00 0.00 C ATOM 561 C1' DG A 18 7.463 -2.032 -2.628 1.00 0.00 C ATOM 562 N9 DG A 18 6.266 -2.045 -1.764 1.00 0.00 N ATOM 563 C8 DG A 18 6.169 -2.281 -0.422 1.00 0.00 C ATOM 564 N7 DG A 18 4.969 -2.190 0.070 1.00 0.00 N ATOM 565 C5 DG A 18 4.192 -1.865 -1.042 1.00 0.00 C ATOM 566 C6 DG A 18 2.792 -1.633 -1.143 1.00 0.00 C ATOM 567 O6 DG A 18 1.947 -1.669 -0.250 1.00 0.00 O ATOM 568 N1 DG A 18 2.417 -1.337 -2.447 1.00 0.00 N ATOM 569 C2 DG A 18 3.279 -1.269 -3.522 1.00 0.00 C ATOM 570 N2 DG A 18 2.735 -0.976 -4.702 1.00 0.00 N ATOM 571 N3 DG A 18 4.594 -1.484 -3.431 1.00 0.00 N ATOM 572 C4 DG A 18 4.980 -1.775 -2.168 1.00 0.00 C ATOM 0 H5' DG A 18 10.677 -4.135 -1.349 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.620 -2.660 -1.260 1.00 0.00 H new ATOM 0 H4' DG A 18 10.184 -2.589 -3.149 1.00 0.00 H new ATOM 0 H3' DG A 18 9.541 -0.608 -0.958 1.00 0.00 H new ATOM 0 H2' DG A 18 7.592 0.089 -2.151 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.294 -0.329 -3.701 1.00 0.00 H new ATOM 0 H1' DG A 18 7.128 -2.267 -3.638 1.00 0.00 H new ATOM 0 H8 DG A 18 7.027 -2.526 0.186 1.00 0.00 H new ATOM 0 H1 DG A 18 1.429 -1.156 -2.623 1.00 0.00 H new ATOM 0 H21 DG A 18 3.323 -0.912 -5.533 1.00 0.00 H new ATOM 0 H22 DG A 18 1.730 -0.816 -4.775 1.00 0.00 H new ATOM 584 P DG A 19 10.860 1.308 -2.297 1.00 0.00 P ATOM 585 OP1 DG A 19 12.128 1.699 -2.953 1.00 0.00 O ATOM 586 OP2 DG A 19 10.716 1.447 -0.831 1.00 0.00 O ATOM 587 O5' DG A 19 9.652 2.107 -3.008 1.00 0.00 O ATOM 588 C5' DG A 19 9.550 2.140 -4.436 1.00 0.00 C ATOM 589 C4' DG A 19 8.221 2.728 -4.908 1.00 0.00 C ATOM 590 O4' DG A 19 7.138 1.964 -4.401 1.00 0.00 O ATOM 591 C3' DG A 19 7.975 4.153 -4.462 1.00 0.00 C ATOM 592 O3' DG A 19 8.539 5.069 -5.405 1.00 0.00 O ATOM 593 C2' DG A 19 6.455 4.259 -4.485 1.00 0.00 C ATOM 594 C1' DG A 19 5.978 2.813 -4.348 1.00 0.00 C ATOM 595 N9 DG A 19 5.268 2.546 -3.083 1.00 0.00 N ATOM 596 C8 DG A 19 5.772 2.165 -1.872 1.00 0.00 C ATOM 597 N7 DG A 19 4.892 2.038 -0.924 1.00 0.00 N ATOM 598 C5 DG A 19 3.693 2.360 -1.555 1.00 0.00 C ATOM 599 C6 DG A 19 2.369 2.401 -1.035 1.00 0.00 C ATOM 600 O6 DG A 19 1.993 2.159 0.111 1.00 0.00 O ATOM 601 N1 DG A 19 1.451 2.771 -2.008 1.00 0.00 N ATOM 602 C2 DG A 19 1.762 3.067 -3.319 1.00 0.00 C ATOM 603 N2 DG A 19 0.743 3.397 -4.111 1.00 0.00 N ATOM 604 N3 DG A 19 3.004 3.032 -3.810 1.00 0.00 N ATOM 605 C4 DG A 19 3.914 2.672 -2.877 1.00 0.00 C ATOM 0 H5' DG A 19 9.658 1.129 -4.829 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.371 2.730 -4.843 1.00 0.00 H new ATOM 0 H4' DG A 19 8.284 2.707 -5.996 1.00 0.00 H new ATOM 0 H3' DG A 19 8.416 4.385 -3.492 1.00 0.00 H new ATOM 0 H2' DG A 19 6.086 4.879 -3.668 1.00 0.00 H new ATOM 0 H2'' DG A 19 6.101 4.709 -5.412 1.00 0.00 H new ATOM 0 H1' DG A 19 5.273 2.620 -5.157 1.00 0.00 H new ATOM 0 H8 DG A 19 6.825 1.983 -1.714 1.00 0.00 H new ATOM 0 H1 DG A 19 0.471 2.829 -1.732 1.00 0.00 H new ATOM 0 H21 DG A 19 0.912 3.626 -5.090 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.206 3.421 -3.738 1.00 0.00 H new ATOM 617 P DT A 20 9.020 6.525 -4.917 1.00 0.00 P ATOM 618 OP1 DT A 20 9.641 7.224 -6.066 1.00 0.00 O ATOM 619 OP2 DT A 20 9.774 6.360 -3.657 1.00 0.00 O ATOM 620 O5' DT A 20 7.627 7.255 -4.577 1.00 0.00 O ATOM 621 C5' DT A 20 6.682 7.513 -5.615 1.00 0.00 C ATOM 622 C4' DT A 20 5.320 7.931 -5.060 1.00 0.00 C ATOM 623 O4' DT A 20 4.893 6.999 -4.046 1.00 0.00 O ATOM 624 C3' DT A 20 5.306 9.303 -4.400 1.00 0.00 C ATOM 625 O3' DT A 20 5.099 10.358 -5.348 1.00 0.00 O ATOM 626 C2' DT A 20 4.133 9.163 -3.444 1.00 0.00 C ATOM 627 C1' DT A 20 4.337 7.742 -2.950 1.00 0.00 C ATOM 628 N1 DT A 20 5.279 7.649 -1.826 1.00 0.00 N ATOM 629 C2 DT A 20 4.772 7.837 -0.557 1.00 0.00 C ATOM 630 O2 DT A 20 3.575 8.030 -0.354 1.00 0.00 O ATOM 631 N3 DT A 20 5.691 7.793 0.473 1.00 0.00 N ATOM 632 C4 DT A 20 7.051 7.579 0.342 1.00 0.00 C ATOM 633 O4 DT A 20 7.782 7.568 1.328 1.00 0.00 O ATOM 634 C5 DT A 20 7.487 7.389 -1.025 1.00 0.00 C ATOM 635 C7 DT A 20 8.965 7.153 -1.317 1.00 0.00 C ATOM 636 C6 DT A 20 6.609 7.427 -2.045 1.00 0.00 C ATOM 0 H5' DT A 20 6.565 6.620 -6.228 1.00 0.00 H new ATOM 0 H5'' DT A 20 7.065 8.299 -6.266 1.00 0.00 H new ATOM 0 H4' DT A 20 4.662 7.952 -5.929 1.00 0.00 H new ATOM 0 H3' DT A 20 6.246 9.570 -3.917 1.00 0.00 H new ATOM 0 H2' DT A 20 4.171 9.892 -2.634 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.174 9.293 -3.945 1.00 0.00 H new ATOM 0 HO3' DT A 20 5.095 11.220 -4.882 1.00 0.00 H new ATOM 0 H1' DT A 20 3.377 7.360 -2.602 1.00 0.00 H new ATOM 0 H3 DT A 20 5.333 7.931 1.418 1.00 0.00 H new ATOM 0 H71 DT A 20 9.570 7.659 -0.565 1.00 0.00 H new ATOM 0 H72 DT A 20 9.175 6.084 -1.292 1.00 0.00 H new ATOM 0 H73 DT A 20 9.208 7.547 -2.304 1.00 0.00 H new ATOM 0 H6 DT A 20 6.963 7.279 -3.055 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.265 5.930 0.951 1.00 0.00 C HETATM 652 C2 BER A 101 -1.578 6.188 0.575 1.00 0.00 C HETATM 653 N1 BER A 101 0.026 5.753 2.247 1.00 0.00 N HETATM 654 C3 BER A 101 0.728 5.859 -0.019 1.00 0.00 C HETATM 655 C4 BER A 101 -2.569 6.306 1.540 1.00 0.00 C HETATM 656 C5 BER A 101 -1.916 6.406 -0.754 1.00 0.00 C HETATM 657 C6 BER A 101 1.343 5.480 2.642 1.00 0.00 C HETATM 658 C7 BER A 101 -1.066 5.480 3.211 1.00 0.00 C HETATM 659 C8 BER A 101 2.041 5.589 0.348 1.00 0.00 C HETATM 660 C9 BER A 101 -3.848 6.648 1.117 1.00 0.00 C HETATM 661 C10 BER A 101 -2.224 6.425 2.882 1.00 0.00 C HETATM 662 C11 BER A 101 -3.156 6.750 -1.093 1.00 0.00 C HETATM 663 C12 BER A 101 2.349 5.381 1.686 1.00 0.00 C HETATM 664 C13 BER A 101 3.006 5.399 -0.635 1.00 0.00 C HETATM 665 C14 BER A 101 -4.108 6.871 -0.170 1.00 0.00 C HETATM 666 O1 BER A 101 -3.642 7.045 -2.327 1.00 0.00 O HETATM 667 C15 BER A 101 3.637 5.005 2.051 1.00 0.00 C HETATM 668 C16 BER A 101 4.297 5.028 -0.276 1.00 0.00 C HETATM 669 O2 BER A 101 -5.286 7.239 -0.739 1.00 0.00 O HETATM 670 C17 BER A 101 -5.064 7.106 -2.151 1.00 0.00 C HETATM 671 C18 BER A 101 4.603 4.839 1.065 1.00 0.00 C HETATM 672 O3 BER A 101 3.943 4.774 3.356 1.00 0.00 O HETATM 673 O4 BER A 101 5.867 4.564 1.486 1.00 0.00 O HETATM 674 C19 BER A 101 4.063 6.017 4.053 1.00 0.00 C HETATM 675 C20 BER A 101 6.735 4.460 0.355 1.00 0.00 C HETATM 0 H203 BER A 101 6.388 3.659 -0.298 1.00 0.00 H new HETATM 0 H202 BER A 101 6.732 5.402 -0.194 1.00 0.00 H new HETATM 0 H201 BER A 101 7.748 4.240 0.693 1.00 0.00 H new HETATM 0 H193 BER A 101 4.853 6.614 3.598 1.00 0.00 H new HETATM 0 H192 BER A 101 3.119 6.559 3.995 1.00 0.00 H new HETATM 0 H191 BER A 101 4.308 5.826 5.098 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.488 7.951 -2.693 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.543 6.207 -2.538 1.00 0.00 H new HETATM 0 H161 BER A 101 5.062 4.887 -1.040 1.00 0.00 H new HETATM 0 H131 BER A 101 2.751 5.541 -1.685 1.00 0.00 H new HETATM 0 H102 BER A 101 -1.939 7.454 3.103 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.084 6.191 3.509 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.650 6.735 1.850 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.388 4.441 3.140 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.722 5.638 4.233 1.00 0.00 H new HETATM 0 H61 BER A 101 1.579 5.345 3.698 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.157 6.294 -1.528 1.00 0.00 H new HETATM 0 H31 BER A 101 0.477 6.015 -1.068 1.00 0.00 H new