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 51:sc= 0.832 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.56! (180deg=-7.22!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.387 -3.583 -7.234 1.00 0.00 O ATOM 2 C5' DG A 1 3.473 -3.543 -8.658 1.00 0.00 C ATOM 3 C4' DG A 1 2.121 -3.219 -9.295 1.00 0.00 C ATOM 4 O4' DG A 1 1.152 -4.193 -8.897 1.00 0.00 O ATOM 5 C3' DG A 1 1.554 -1.868 -8.902 1.00 0.00 C ATOM 6 O3' DG A 1 2.038 -0.855 -9.790 1.00 0.00 O ATOM 7 C2' DG A 1 0.057 -2.060 -9.100 1.00 0.00 C ATOM 8 C1' DG A 1 -0.138 -3.558 -8.861 1.00 0.00 C ATOM 9 N9 DG A 1 -0.762 -3.866 -7.561 1.00 0.00 N ATOM 10 C8 DG A 1 -2.077 -3.781 -7.200 1.00 0.00 C ATOM 11 N7 DG A 1 -2.334 -4.093 -5.967 1.00 0.00 N ATOM 12 C5 DG A 1 -1.079 -4.419 -5.453 1.00 0.00 C ATOM 13 C6 DG A 1 -0.712 -4.841 -4.145 1.00 0.00 C ATOM 14 O6 DG A 1 -1.437 -5.009 -3.166 1.00 0.00 O ATOM 15 N1 DG A 1 0.654 -5.067 -4.048 1.00 0.00 N ATOM 16 C2 DG A 1 1.559 -4.908 -5.076 1.00 0.00 C ATOM 17 N2 DG A 1 2.832 -5.178 -4.787 1.00 0.00 N ATOM 18 N3 DG A 1 1.219 -4.508 -6.307 1.00 0.00 N ATOM 19 C4 DG A 1 -0.110 -4.283 -6.423 1.00 0.00 C ATOM 0 H5' DG A 1 3.829 -4.504 -9.029 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.206 -2.794 -8.958 1.00 0.00 H new ATOM 0 H4' DG A 1 2.309 -3.217 -10.369 1.00 0.00 H new ATOM 0 H3' DG A 1 1.826 -1.559 -7.893 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.522 -1.461 -8.397 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.257 -1.768 -10.102 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.641 -4.159 -6.967 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.807 -3.924 -9.640 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.848 -3.476 -7.892 1.00 0.00 H new ATOM 0 H1 DG A 1 1.017 -5.375 -3.146 1.00 0.00 H new ATOM 0 H21 DG A 1 3.550 -5.080 -5.505 1.00 0.00 H new ATOM 0 H22 DG A 1 3.088 -5.483 -3.848 1.00 0.00 H new ATOM 32 P DG A 2 2.232 0.654 -9.263 1.00 0.00 P ATOM 33 OP1 DG A 2 2.723 1.480 -10.389 1.00 0.00 O ATOM 34 OP2 DG A 2 2.995 0.603 -7.996 1.00 0.00 O ATOM 35 O5' DG A 2 0.721 1.104 -8.926 1.00 0.00 O ATOM 36 C5' DG A 2 -0.244 1.239 -9.972 1.00 0.00 C ATOM 37 C4' DG A 2 -1.669 1.322 -9.425 1.00 0.00 C ATOM 38 O4' DG A 2 -1.997 0.133 -8.707 1.00 0.00 O ATOM 39 C3' DG A 2 -1.902 2.483 -8.467 1.00 0.00 C ATOM 40 O3' DG A 2 -2.330 3.638 -9.189 1.00 0.00 O ATOM 41 C2' DG A 2 -3.024 1.978 -7.580 1.00 0.00 C ATOM 42 C1' DG A 2 -2.748 0.478 -7.532 1.00 0.00 C ATOM 43 N9 DG A 2 -1.955 0.064 -6.358 1.00 0.00 N ATOM 44 C8 DG A 2 -0.598 -0.025 -6.224 1.00 0.00 C ATOM 45 N7 DG A 2 -0.182 -0.391 -5.047 1.00 0.00 N ATOM 46 C5 DG A 2 -1.365 -0.562 -4.330 1.00 0.00 C ATOM 47 C6 DG A 2 -1.563 -0.958 -2.977 1.00 0.00 C ATOM 48 O6 DG A 2 -0.714 -1.231 -2.130 1.00 0.00 O ATOM 49 N1 DG A 2 -2.913 -1.008 -2.653 1.00 0.00 N ATOM 50 C2 DG A 2 -3.948 -0.716 -3.518 1.00 0.00 C ATOM 51 N2 DG A 2 -5.181 -0.826 -3.024 1.00 0.00 N ATOM 52 N3 DG A 2 -3.765 -0.342 -4.789 1.00 0.00 N ATOM 53 C4 DG A 2 -2.456 -0.287 -5.125 1.00 0.00 C ATOM 0 H5' DG A 2 -0.165 0.390 -10.651 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.026 2.134 -10.554 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.294 1.464 -10.306 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.009 2.771 -7.913 1.00 0.00 H new ATOM 0 H2' DG A 2 -2.993 2.429 -6.588 1.00 0.00 H new ATOM 0 H2'' DG A 2 -4.005 2.198 -8.000 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.711 -0.029 -7.473 1.00 0.00 H new ATOM 0 H8 DG A 2 0.080 0.193 -7.036 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.158 -1.282 -1.702 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.987 -0.623 -3.615 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.318 -1.113 -2.055 1.00 0.00 H new ATOM 65 P DG A 3 -2.238 5.091 -8.506 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.295 6.111 -9.577 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.105 5.082 -7.553 1.00 0.00 O ATOM 68 O5' DG A 3 -3.608 5.166 -7.665 1.00 0.00 O ATOM 69 C5' DG A 3 -4.869 5.043 -8.327 1.00 0.00 C ATOM 70 C4' DG A 3 -6.035 5.206 -7.357 1.00 0.00 C ATOM 71 O4' DG A 3 -5.881 4.260 -6.286 1.00 0.00 O ATOM 72 C3' DG A 3 -6.130 6.597 -6.737 1.00 0.00 C ATOM 73 O3' DG A 3 -7.496 7.024 -6.754 1.00 0.00 O ATOM 74 C2' DG A 3 -5.662 6.439 -5.296 1.00 0.00 C ATOM 75 C1' DG A 3 -5.738 4.939 -5.035 1.00 0.00 C ATOM 76 N9 DG A 3 -4.539 4.392 -4.368 1.00 0.00 N ATOM 77 C8 DG A 3 -3.269 4.260 -4.853 1.00 0.00 C ATOM 78 N7 DG A 3 -2.411 3.749 -4.022 1.00 0.00 N ATOM 79 C5 DG A 3 -3.173 3.518 -2.879 1.00 0.00 C ATOM 80 C6 DG A 3 -2.787 2.969 -1.626 1.00 0.00 C ATOM 81 O6 DG A 3 -1.678 2.574 -1.275 1.00 0.00 O ATOM 82 N1 DG A 3 -3.860 2.908 -0.746 1.00 0.00 N ATOM 83 C2 DG A 3 -5.145 3.321 -1.033 1.00 0.00 C ATOM 84 N2 DG A 3 -6.043 3.179 -0.058 1.00 0.00 N ATOM 85 N3 DG A 3 -5.511 3.840 -2.210 1.00 0.00 N ATOM 86 C4 DG A 3 -4.478 3.908 -3.082 1.00 0.00 C ATOM 0 H5' DG A 3 -4.932 4.068 -8.811 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.942 5.795 -9.113 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.944 5.041 -7.936 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.532 7.331 -7.277 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.647 6.814 -5.164 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.299 6.995 -4.608 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.589 4.784 -4.371 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.998 4.559 -5.855 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.684 2.529 0.184 1.00 0.00 H new ATOM 0 H21 DG A 3 -7.010 3.466 -0.209 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.763 2.783 0.839 1.00 0.00 H new ATOM 98 P DG A 4 -8.019 8.041 -7.887 1.00 0.00 P ATOM 99 OP1 DG A 4 -6.938 9.011 -8.173 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.359 8.525 -7.490 1.00 0.00 O ATOM 101 O5' DG A 4 -8.190 7.081 -9.168 1.00 0.00 O ATOM 102 C5' DG A 4 -9.447 6.455 -9.440 1.00 0.00 C ATOM 103 C4' DG A 4 -9.429 5.720 -10.777 1.00 0.00 C ATOM 104 O4' DG A 4 -9.134 6.643 -11.825 1.00 0.00 O ATOM 105 C3' DG A 4 -8.386 4.614 -10.853 1.00 0.00 C ATOM 106 O3' DG A 4 -8.871 3.555 -11.688 1.00 0.00 O ATOM 107 C2' DG A 4 -7.184 5.277 -11.509 1.00 0.00 C ATOM 108 C1' DG A 4 -7.784 6.457 -12.271 1.00 0.00 C ATOM 109 N9 DG A 4 -7.069 7.728 -12.058 1.00 0.00 N ATOM 110 C8 DG A 4 -6.491 8.211 -10.919 1.00 0.00 C ATOM 111 N7 DG A 4 -5.930 9.377 -11.036 1.00 0.00 N ATOM 112 C5 DG A 4 -6.151 9.704 -12.372 1.00 0.00 C ATOM 113 C6 DG A 4 -5.770 10.863 -13.100 1.00 0.00 C ATOM 114 O6 DG A 4 -5.153 11.847 -12.697 1.00 0.00 O ATOM 115 N1 DG A 4 -6.190 10.795 -14.422 1.00 0.00 N ATOM 116 C2 DG A 4 -6.889 9.743 -14.979 1.00 0.00 C ATOM 117 N2 DG A 4 -7.206 9.858 -16.268 1.00 0.00 N ATOM 118 N3 DG A 4 -7.248 8.651 -14.297 1.00 0.00 N ATOM 119 C4 DG A 4 -6.848 8.700 -13.005 1.00 0.00 C ATOM 0 H5' DG A 4 -10.235 7.208 -9.448 1.00 0.00 H new ATOM 0 H5'' DG A 4 -9.685 5.753 -8.641 1.00 0.00 H new ATOM 0 H4' DG A 4 -10.416 5.269 -10.880 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.150 4.186 -9.879 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.457 5.609 -10.768 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.666 4.591 -12.179 1.00 0.00 H new ATOM 0 H1' DG A 4 -7.713 6.213 -13.331 1.00 0.00 H new ATOM 0 H8 DG A 4 -6.500 7.663 -9.988 1.00 0.00 H new ATOM 0 H1 DG A 4 -5.964 11.584 -15.028 1.00 0.00 H new ATOM 0 H21 DG A 4 -7.722 9.112 -16.735 1.00 0.00 H new ATOM 0 H22 DG A 4 -6.932 10.692 -16.788 1.00 0.00 H new ATOM 131 P DC A 5 -9.631 2.289 -11.044 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.422 1.632 -12.109 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.297 2.733 -9.799 1.00 0.00 O ATOM 134 O5' DC A 5 -8.414 1.311 -10.642 1.00 0.00 O ATOM 135 C5' DC A 5 -7.436 0.938 -11.615 1.00 0.00 C ATOM 136 C4' DC A 5 -6.586 -0.244 -11.145 1.00 0.00 C ATOM 137 O4' DC A 5 -5.921 0.094 -9.907 1.00 0.00 O ATOM 138 C3' DC A 5 -7.386 -1.524 -10.885 1.00 0.00 C ATOM 139 O3' DC A 5 -6.612 -2.663 -11.284 1.00 0.00 O ATOM 140 C2' DC A 5 -7.557 -1.532 -9.377 1.00 0.00 C ATOM 141 C1' DC A 5 -6.250 -0.900 -8.932 1.00 0.00 C ATOM 142 N1 DC A 5 -6.294 -0.250 -7.606 1.00 0.00 N ATOM 143 C2 DC A 5 -6.169 -1.068 -6.495 1.00 0.00 C ATOM 144 O2 DC A 5 -6.035 -2.282 -6.639 1.00 0.00 O ATOM 145 N3 DC A 5 -6.178 -0.491 -5.262 1.00 0.00 N ATOM 146 C4 DC A 5 -6.306 0.836 -5.124 1.00 0.00 C ATOM 147 N4 DC A 5 -6.308 1.371 -3.900 1.00 0.00 N ATOM 148 C5 DC A 5 -6.438 1.686 -6.269 1.00 0.00 C ATOM 149 C6 DC A 5 -6.428 1.103 -7.486 1.00 0.00 C ATOM 0 H5' DC A 5 -6.789 1.790 -11.825 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.934 0.678 -12.549 1.00 0.00 H new ATOM 0 H4' DC A 5 -5.887 -0.437 -11.959 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.331 -1.560 -11.428 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.424 -0.954 -9.058 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.683 -2.540 -8.982 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.515 -1.700 -8.846 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.405 2.380 -3.785 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.213 0.771 -3.081 1.00 0.00 H new ATOM 0 H5 DC A 5 -6.542 2.756 -6.162 1.00 0.00 H new ATOM 0 H6 DC A 5 -6.527 1.712 -8.372 1.00 0.00 H new ATOM 161 P DG A 6 -7.331 -4.043 -11.706 1.00 0.00 P ATOM 162 OP1 DG A 6 -6.324 -4.909 -12.359 1.00 0.00 O ATOM 163 OP2 DG A 6 -8.586 -3.710 -12.418 1.00 0.00 O ATOM 164 O5' DG A 6 -7.714 -4.702 -10.283 1.00 0.00 O ATOM 165 C5' DG A 6 -8.825 -5.600 -10.177 1.00 0.00 C ATOM 166 C4' DG A 6 -8.967 -6.188 -8.771 1.00 0.00 C ATOM 167 O4' DG A 6 -7.852 -7.001 -8.441 1.00 0.00 O ATOM 168 C3' DG A 6 -9.059 -5.159 -7.658 1.00 0.00 C ATOM 169 O3' DG A 6 -10.412 -4.725 -7.506 1.00 0.00 O ATOM 170 C2' DG A 6 -8.630 -5.955 -6.431 1.00 0.00 C ATOM 171 C1' DG A 6 -7.776 -7.084 -7.011 1.00 0.00 C ATOM 172 N9 DG A 6 -6.362 -6.999 -6.622 1.00 0.00 N ATOM 173 C8 DG A 6 -5.331 -6.366 -7.254 1.00 0.00 C ATOM 174 N7 DG A 6 -4.184 -6.447 -6.651 1.00 0.00 N ATOM 175 C5 DG A 6 -4.474 -7.201 -5.515 1.00 0.00 C ATOM 176 C6 DG A 6 -3.620 -7.623 -4.462 1.00 0.00 C ATOM 177 O6 DG A 6 -2.419 -7.408 -4.322 1.00 0.00 O ATOM 178 N1 DG A 6 -4.313 -8.363 -3.511 1.00 0.00 N ATOM 179 C2 DG A 6 -5.658 -8.661 -3.564 1.00 0.00 C ATOM 180 N2 DG A 6 -6.141 -9.383 -2.552 1.00 0.00 N ATOM 181 N3 DG A 6 -6.464 -8.266 -4.553 1.00 0.00 N ATOM 182 C4 DG A 6 -5.805 -7.543 -5.491 1.00 0.00 C ATOM 0 H5' DG A 6 -8.704 -6.410 -10.896 1.00 0.00 H new ATOM 0 H5'' DG A 6 -9.742 -5.073 -10.442 1.00 0.00 H new ATOM 0 H4' DG A 6 -9.902 -6.746 -8.825 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.457 -4.268 -7.836 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.061 -5.340 -5.734 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.490 -6.343 -5.885 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.163 -8.026 -6.622 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.460 -5.837 -8.187 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.785 -8.713 -2.711 1.00 0.00 H new ATOM 0 H21 DG A 6 -7.129 -9.637 -2.532 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.523 -9.681 -1.798 1.00 0.00 H new ATOM 194 P DG A 7 -10.743 -3.226 -7.017 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.193 -2.993 -7.206 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.760 -2.307 -7.633 1.00 0.00 O ATOM 197 O5' DG A 7 -10.444 -3.296 -5.434 1.00 0.00 O ATOM 198 C5' DG A 7 -11.265 -4.107 -4.593 1.00 0.00 C ATOM 199 C4' DG A 7 -10.902 -3.979 -3.112 1.00 0.00 C ATOM 200 O4' DG A 7 -9.660 -4.630 -2.793 1.00 0.00 O ATOM 201 C3' DG A 7 -10.768 -2.542 -2.592 1.00 0.00 C ATOM 202 O3' DG A 7 -11.954 -2.193 -1.868 1.00 0.00 O ATOM 203 C2' DG A 7 -9.573 -2.603 -1.630 1.00 0.00 C ATOM 204 C1' DG A 7 -9.349 -4.103 -1.511 1.00 0.00 C ATOM 205 N9 DG A 7 -7.987 -4.525 -1.102 1.00 0.00 N ATOM 206 C8 DG A 7 -7.606 -5.024 0.109 1.00 0.00 C ATOM 207 N7 DG A 7 -6.345 -5.290 0.233 1.00 0.00 N ATOM 208 C5 DG A 7 -5.818 -4.944 -1.005 1.00 0.00 C ATOM 209 C6 DG A 7 -4.476 -5.018 -1.461 1.00 0.00 C ATOM 210 O6 DG A 7 -3.483 -5.401 -0.845 1.00 0.00 O ATOM 211 N1 DG A 7 -4.355 -4.579 -2.768 1.00 0.00 N ATOM 212 C2 DG A 7 -5.398 -4.121 -3.550 1.00 0.00 C ATOM 213 N2 DG A 7 -5.078 -3.746 -4.787 1.00 0.00 N ATOM 214 N3 DG A 7 -6.672 -4.046 -3.124 1.00 0.00 N ATOM 215 C4 DG A 7 -6.810 -4.473 -1.843 1.00 0.00 C ATOM 0 H5' DG A 7 -11.171 -5.150 -4.897 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.309 -3.827 -4.732 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.753 -4.456 -2.627 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.631 -1.808 -3.386 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.699 -2.089 -2.030 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.799 -2.145 -0.667 1.00 0.00 H new ATOM 0 H1' DG A 7 -9.979 -4.480 -0.706 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.310 -5.187 0.912 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.425 -4.595 -3.186 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.800 -3.398 -5.417 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.110 -3.807 -5.104 1.00 0.00 H new ATOM 227 P DG A 8 -12.184 -0.695 -1.327 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.616 -0.547 -0.985 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.551 0.243 -2.280 1.00 0.00 O ATOM 230 O5' DG A 8 -11.333 -0.679 0.042 1.00 0.00 O ATOM 231 C5' DG A 8 -11.694 -1.543 1.123 1.00 0.00 C ATOM 232 C4' DG A 8 -10.587 -1.644 2.166 1.00 0.00 C ATOM 233 O4' DG A 8 -9.403 -2.187 1.607 1.00 0.00 O ATOM 234 C3' DG A 8 -10.178 -0.312 2.778 1.00 0.00 C ATOM 235 O3' DG A 8 -10.965 -0.046 3.942 1.00 0.00 O ATOM 236 C2' DG A 8 -8.723 -0.535 3.188 1.00 0.00 C ATOM 237 C1' DG A 8 -8.319 -1.820 2.459 1.00 0.00 C ATOM 238 N9 DG A 8 -7.107 -1.688 1.630 1.00 0.00 N ATOM 239 C8 DG A 8 -6.989 -1.318 0.320 1.00 0.00 C ATOM 240 N7 DG A 8 -5.770 -1.280 -0.133 1.00 0.00 N ATOM 241 C5 DG A 8 -5.007 -1.660 0.970 1.00 0.00 C ATOM 242 C6 DG A 8 -3.597 -1.807 1.098 1.00 0.00 C ATOM 243 O6 DG A 8 -2.730 -1.624 0.247 1.00 0.00 O ATOM 244 N1 DG A 8 -3.243 -2.209 2.381 1.00 0.00 N ATOM 245 C2 DG A 8 -4.130 -2.443 3.411 1.00 0.00 C ATOM 246 N2 DG A 8 -3.601 -2.829 4.572 1.00 0.00 N ATOM 247 N3 DG A 8 -5.453 -2.303 3.294 1.00 0.00 N ATOM 248 C4 DG A 8 -5.819 -1.912 2.053 1.00 0.00 C ATOM 0 H5' DG A 8 -11.918 -2.536 0.734 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.604 -1.173 1.595 1.00 0.00 H new ATOM 0 H4' DG A 8 -11.018 -2.281 2.938 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.312 0.527 2.095 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.093 0.305 2.894 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.626 -0.643 4.268 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.095 -2.567 3.220 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.844 -1.075 -0.294 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.250 -2.341 2.576 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.207 -3.017 5.371 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.591 -2.936 4.661 1.00 0.00 H new ATOM 260 P DG A 9 -10.915 1.404 4.638 1.00 0.00 P ATOM 261 OP1 DG A 9 -12.059 1.510 5.572 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.735 2.416 3.575 1.00 0.00 O ATOM 263 O5' DG A 9 -9.559 1.335 5.506 1.00 0.00 O ATOM 264 C5' DG A 9 -9.375 0.315 6.493 1.00 0.00 C ATOM 265 C4' DG A 9 -7.908 0.186 6.913 1.00 0.00 C ATOM 266 O4' DG A 9 -7.064 0.165 5.742 1.00 0.00 O ATOM 267 C3' DG A 9 -7.395 1.350 7.779 1.00 0.00 C ATOM 268 O3' DG A 9 -6.488 0.853 8.772 1.00 0.00 O ATOM 269 C2' DG A 9 -6.607 2.184 6.789 1.00 0.00 C ATOM 270 C1' DG A 9 -5.988 1.063 5.995 1.00 0.00 C ATOM 271 N9 DG A 9 -5.354 1.448 4.725 1.00 0.00 N ATOM 272 C8 DG A 9 -5.899 1.959 3.583 1.00 0.00 C ATOM 273 N7 DG A 9 -5.046 2.206 2.631 1.00 0.00 N ATOM 274 C5 DG A 9 -3.825 1.823 3.193 1.00 0.00 C ATOM 275 C6 DG A 9 -2.512 1.854 2.645 1.00 0.00 C ATOM 276 O6 DG A 9 -2.158 2.237 1.531 1.00 0.00 O ATOM 277 N1 DG A 9 -1.571 1.375 3.551 1.00 0.00 N ATOM 278 C2 DG A 9 -1.856 0.924 4.825 1.00 0.00 C ATOM 279 N2 DG A 9 -0.824 0.497 5.552 1.00 0.00 N ATOM 280 N3 DG A 9 -3.084 0.897 5.338 1.00 0.00 N ATOM 281 C4 DG A 9 -4.013 1.360 4.471 1.00 0.00 C ATOM 0 H5' DG A 9 -9.725 -0.639 6.099 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.985 0.542 7.368 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.863 -0.734 7.495 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.193 1.889 8.289 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.240 2.832 6.183 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.865 2.822 7.269 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.164 0.642 6.571 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.958 2.144 3.477 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.596 1.355 3.251 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.976 0.153 6.500 1.00 0.00 H new ATOM 0 H22 DG A 9 0.118 0.514 5.160 1.00 0.00 H new ATOM 293 P DC A 10 -7.013 0.182 10.136 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.274 0.850 10.526 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.881 0.125 11.088 1.00 0.00 O ATOM 296 O5' DC A 10 -7.353 -1.321 9.673 1.00 0.00 O ATOM 297 C5' DC A 10 -6.300 -2.249 9.402 1.00 0.00 C ATOM 298 C4' DC A 10 -6.844 -3.656 9.176 1.00 0.00 C ATOM 299 O4' DC A 10 -7.473 -4.117 10.373 1.00 0.00 O ATOM 300 C3' DC A 10 -7.876 -3.734 8.063 1.00 0.00 C ATOM 301 O3' DC A 10 -7.807 -5.015 7.434 1.00 0.00 O ATOM 302 C2' DC A 10 -9.200 -3.588 8.795 1.00 0.00 C ATOM 303 C1' DC A 10 -8.896 -4.136 10.189 1.00 0.00 C ATOM 304 N1 DC A 10 -9.494 -3.357 11.291 1.00 0.00 N ATOM 305 C2 DC A 10 -10.780 -3.691 11.685 1.00 0.00 C ATOM 306 O2 DC A 10 -11.383 -4.596 11.115 1.00 0.00 O ATOM 307 N3 DC A 10 -11.342 -2.994 12.711 1.00 0.00 N ATOM 308 C4 DC A 10 -10.671 -2.011 13.326 1.00 0.00 C ATOM 309 N4 DC A 10 -11.251 -1.351 14.330 1.00 0.00 N ATOM 310 C5 DC A 10 -9.343 -1.662 12.921 1.00 0.00 C ATOM 311 C6 DC A 10 -8.796 -2.358 11.904 1.00 0.00 C ATOM 0 H5' DC A 10 -5.597 -2.258 10.235 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.745 -1.926 8.521 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.990 -4.270 8.892 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.732 -2.982 7.287 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.525 -2.548 8.834 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.994 -4.152 8.306 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.327 -5.136 10.230 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.749 -0.601 14.805 1.00 0.00 H new ATOM 0 H42 DC A 10 -12.197 -1.597 14.623 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.799 -0.869 13.413 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.796 -2.122 11.572 1.00 0.00 H new ATOM 323 P DG A 11 -6.936 -5.217 6.095 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.776 -3.899 5.442 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.509 -6.354 5.337 1.00 0.00 O ATOM 326 O5' DG A 11 -5.503 -5.668 6.673 1.00 0.00 O ATOM 327 C5' DG A 11 -5.404 -6.799 7.539 1.00 0.00 C ATOM 328 C4' DG A 11 -3.954 -7.209 7.785 1.00 0.00 C ATOM 329 O4' DG A 11 -3.368 -7.788 6.612 1.00 0.00 O ATOM 330 C3' DG A 11 -3.033 -6.066 8.181 1.00 0.00 C ATOM 331 O3' DG A 11 -3.096 -5.849 9.595 1.00 0.00 O ATOM 332 C2' DG A 11 -1.651 -6.592 7.801 1.00 0.00 C ATOM 333 C1' DG A 11 -1.949 -7.680 6.761 1.00 0.00 C ATOM 334 N9 DG A 11 -1.362 -7.403 5.436 1.00 0.00 N ATOM 335 C8 DG A 11 -0.068 -7.557 5.034 1.00 0.00 C ATOM 336 N7 DG A 11 0.174 -7.221 3.805 1.00 0.00 N ATOM 337 C5 DG A 11 -1.070 -6.802 3.338 1.00 0.00 C ATOM 338 C6 DG A 11 -1.442 -6.317 2.057 1.00 0.00 C ATOM 339 O6 DG A 11 -0.733 -6.158 1.067 1.00 0.00 O ATOM 340 N1 DG A 11 -2.793 -6.005 2.003 1.00 0.00 N ATOM 341 C2 DG A 11 -3.681 -6.143 3.049 1.00 0.00 C ATOM 342 N2 DG A 11 -4.942 -5.786 2.802 1.00 0.00 N ATOM 343 N3 DG A 11 -3.336 -6.602 4.259 1.00 0.00 N ATOM 344 C4 DG A 11 -2.020 -6.911 4.331 1.00 0.00 C ATOM 0 H5' DG A 11 -5.948 -7.637 7.104 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.882 -6.569 8.491 1.00 0.00 H new ATOM 0 H4' DG A 11 -4.029 -7.917 8.611 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.289 -5.121 7.703 1.00 0.00 H new ATOM 0 H2' DG A 11 -1.023 -5.804 7.387 1.00 0.00 H new ATOM 0 H2'' DG A 11 -1.125 -6.998 8.665 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.500 -8.604 7.126 1.00 0.00 H new ATOM 0 H8 DG A 11 0.701 -7.932 5.693 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.158 -5.646 1.121 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.647 -5.864 3.535 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.201 -5.435 1.880 1.00 0.00 H new ATOM 356 P DG A 12 -2.834 -4.385 10.208 1.00 0.00 P ATOM 357 OP1 DG A 12 -3.127 -4.427 11.659 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.519 -3.400 9.343 1.00 0.00 O ATOM 359 O5' DG A 12 -1.245 -4.206 10.020 1.00 0.00 O ATOM 360 C5' DG A 12 -0.337 -5.087 10.685 1.00 0.00 C ATOM 361 C4' DG A 12 1.104 -4.862 10.231 1.00 0.00 C ATOM 362 O4' DG A 12 1.173 -5.025 8.794 1.00 0.00 O ATOM 363 C3' DG A 12 1.655 -3.484 10.566 1.00 0.00 C ATOM 364 O3' DG A 12 2.960 -3.633 11.131 1.00 0.00 O ATOM 365 C2' DG A 12 1.749 -2.742 9.238 1.00 0.00 C ATOM 366 C1' DG A 12 1.742 -3.858 8.188 1.00 0.00 C ATOM 367 N9 DG A 12 0.948 -3.549 6.983 1.00 0.00 N ATOM 368 C8 DG A 12 -0.405 -3.416 6.854 1.00 0.00 C ATOM 369 N7 DG A 12 -0.819 -3.132 5.655 1.00 0.00 N ATOM 370 C5 DG A 12 0.362 -3.069 4.917 1.00 0.00 C ATOM 371 C6 DG A 12 0.559 -2.795 3.537 1.00 0.00 C ATOM 372 O6 DG A 12 -0.286 -2.541 2.681 1.00 0.00 O ATOM 373 N1 DG A 12 1.905 -2.830 3.198 1.00 0.00 N ATOM 374 C2 DG A 12 2.936 -3.097 4.074 1.00 0.00 C ATOM 375 N2 DG A 12 4.166 -3.092 3.561 1.00 0.00 N ATOM 376 N3 DG A 12 2.755 -3.354 5.373 1.00 0.00 N ATOM 377 C4 DG A 12 1.448 -3.324 5.724 1.00 0.00 C ATOM 0 H5' DG A 12 -0.623 -6.120 10.489 1.00 0.00 H new ATOM 0 H5'' DG A 12 -0.407 -4.936 11.762 1.00 0.00 H new ATOM 0 H4' DG A 12 1.708 -5.593 10.769 1.00 0.00 H new ATOM 0 H3' DG A 12 1.028 -2.948 11.279 1.00 0.00 H new ATOM 0 H2' DG A 12 0.909 -2.060 9.101 1.00 0.00 H new ATOM 0 H2'' DG A 12 2.658 -2.144 9.179 1.00 0.00 H new ATOM 0 H1' DG A 12 2.774 -3.995 7.865 1.00 0.00 H new ATOM 0 H8 DG A 12 -1.081 -3.538 7.687 1.00 0.00 H new ATOM 0 H1 DG A 12 2.150 -2.644 2.226 1.00 0.00 H new ATOM 0 H21 DG A 12 4.969 -3.283 4.160 1.00 0.00 H new ATOM 0 H22 DG A 12 4.304 -2.897 2.569 1.00 0.00 H new ATOM 389 P DG A 13 3.726 -2.363 11.753 1.00 0.00 P ATOM 390 OP1 DG A 13 4.702 -2.854 12.754 1.00 0.00 O ATOM 391 OP2 DG A 13 2.715 -1.354 12.143 1.00 0.00 O ATOM 392 O5' DG A 13 4.545 -1.795 10.487 1.00 0.00 O ATOM 393 C5' DG A 13 5.560 -2.594 9.871 1.00 0.00 C ATOM 394 C4' DG A 13 6.044 -1.988 8.557 1.00 0.00 C ATOM 395 O4' DG A 13 5.008 -1.932 7.602 1.00 0.00 O ATOM 396 C3' DG A 13 6.566 -0.563 8.677 1.00 0.00 C ATOM 397 O3' DG A 13 7.974 -0.586 8.914 1.00 0.00 O ATOM 398 C2' DG A 13 6.285 0.049 7.305 1.00 0.00 C ATOM 399 C1' DG A 13 5.425 -1.003 6.600 1.00 0.00 C ATOM 400 N9 DG A 13 4.217 -0.469 5.943 1.00 0.00 N ATOM 401 C8 DG A 13 2.959 -0.306 6.449 1.00 0.00 C ATOM 402 N7 DG A 13 2.094 0.201 5.621 1.00 0.00 N ATOM 403 C5 DG A 13 2.840 0.395 4.460 1.00 0.00 C ATOM 404 C6 DG A 13 2.445 0.924 3.200 1.00 0.00 C ATOM 405 O6 DG A 13 1.340 1.339 2.859 1.00 0.00 O ATOM 406 N1 DG A 13 3.506 0.944 2.302 1.00 0.00 N ATOM 407 C2 DG A 13 4.786 0.510 2.578 1.00 0.00 C ATOM 408 N2 DG A 13 5.669 0.604 1.585 1.00 0.00 N ATOM 409 N3 DG A 13 5.160 0.015 3.761 1.00 0.00 N ATOM 410 C4 DG A 13 4.141 -0.014 4.650 1.00 0.00 C ATOM 0 H5' DG A 13 5.171 -3.596 9.687 1.00 0.00 H new ATOM 0 H5'' DG A 13 6.403 -2.700 10.554 1.00 0.00 H new ATOM 0 H4' DG A 13 6.856 -2.650 8.256 1.00 0.00 H new ATOM 0 H3' DG A 13 6.104 -0.008 9.493 1.00 0.00 H new ATOM 0 H2' DG A 13 5.760 1.000 7.392 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.208 0.243 6.758 1.00 0.00 H new ATOM 0 H1' DG A 13 6.031 -1.444 5.809 1.00 0.00 H new ATOM 0 H8 DG A 13 2.702 -0.578 7.462 1.00 0.00 H new ATOM 0 H1 DG A 13 3.324 1.308 1.367 1.00 0.00 H new ATOM 0 H21 DG A 13 6.632 0.299 1.728 1.00 0.00 H new ATOM 0 H22 DG A 13 5.382 0.981 0.682 1.00 0.00 H new ATOM 422 P DG A 14 8.687 0.632 9.688 1.00 0.00 P ATOM 423 OP1 DG A 14 10.077 0.233 9.999 1.00 0.00 O ATOM 424 OP2 DG A 14 7.786 1.078 10.775 1.00 0.00 O ATOM 425 O5' DG A 14 8.734 1.784 8.563 1.00 0.00 O ATOM 426 C5' DG A 14 9.484 1.595 7.357 1.00 0.00 C ATOM 427 C4' DG A 14 9.026 2.542 6.251 1.00 0.00 C ATOM 428 O4' DG A 14 7.621 2.359 6.050 1.00 0.00 O ATOM 429 C3' DG A 14 9.276 4.015 6.566 1.00 0.00 C ATOM 430 O3' DG A 14 10.257 4.528 5.659 1.00 0.00 O ATOM 431 C2' DG A 14 7.945 4.714 6.313 1.00 0.00 C ATOM 432 C1' DG A 14 6.923 3.589 6.255 1.00 0.00 C ATOM 433 N9 DG A 14 6.120 3.442 7.479 1.00 0.00 N ATOM 434 C8 DG A 14 6.520 3.088 8.735 1.00 0.00 C ATOM 435 N7 DG A 14 5.573 3.036 9.621 1.00 0.00 N ATOM 436 C5 DG A 14 4.437 3.385 8.893 1.00 0.00 C ATOM 437 C6 DG A 14 3.086 3.504 9.315 1.00 0.00 C ATOM 438 O6 DG A 14 2.620 3.327 10.439 1.00 0.00 O ATOM 439 N1 DG A 14 2.257 3.874 8.266 1.00 0.00 N ATOM 440 C2 DG A 14 2.672 4.104 6.969 1.00 0.00 C ATOM 441 N2 DG A 14 1.725 4.444 6.097 1.00 0.00 N ATOM 442 N3 DG A 14 3.942 3.995 6.571 1.00 0.00 N ATOM 443 C4 DG A 14 4.765 3.634 7.580 1.00 0.00 C ATOM 0 H5' DG A 14 9.377 0.564 7.020 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.543 1.756 7.558 1.00 0.00 H new ATOM 0 H4' DG A 14 9.608 2.299 5.362 1.00 0.00 H new ATOM 0 H3' DG A 14 9.632 4.165 7.585 1.00 0.00 H new ATOM 0 H2' DG A 14 7.711 5.421 7.109 1.00 0.00 H new ATOM 0 H2'' DG A 14 7.965 5.279 5.381 1.00 0.00 H new ATOM 0 H1' DG A 14 6.237 3.836 5.444 1.00 0.00 H new ATOM 0 H8 DG A 14 7.550 2.867 8.974 1.00 0.00 H new ATOM 0 H1 DG A 14 1.263 3.985 8.468 1.00 0.00 H new ATOM 0 H21 DG A 14 1.970 4.627 5.124 1.00 0.00 H new ATOM 0 H22 DG A 14 0.755 4.522 6.402 1.00 0.00 H new ATOM 455 P DC A 15 11.773 4.774 6.136 1.00 0.00 P ATOM 456 OP1 DC A 15 11.760 5.106 7.578 1.00 0.00 O ATOM 457 OP2 DC A 15 12.417 5.695 5.173 1.00 0.00 O ATOM 458 O5' DC A 15 12.437 3.319 5.958 1.00 0.00 O ATOM 459 C5' DC A 15 12.933 2.906 4.683 1.00 0.00 C ATOM 460 C4' DC A 15 13.677 1.578 4.775 1.00 0.00 C ATOM 461 O4' DC A 15 14.844 1.743 5.586 1.00 0.00 O ATOM 462 C3' DC A 15 12.854 0.452 5.386 1.00 0.00 C ATOM 463 O3' DC A 15 13.240 -0.796 4.805 1.00 0.00 O ATOM 464 C2' DC A 15 13.260 0.478 6.847 1.00 0.00 C ATOM 465 C1' DC A 15 14.697 0.982 6.793 1.00 0.00 C ATOM 466 N1 DC A 15 15.077 1.852 7.922 1.00 0.00 N ATOM 467 C2 DC A 15 15.571 1.235 9.059 1.00 0.00 C ATOM 468 O2 DC A 15 15.670 0.012 9.100 1.00 0.00 O ATOM 469 N3 DC A 15 15.937 2.017 10.111 1.00 0.00 N ATOM 470 C4 DC A 15 15.821 3.350 10.051 1.00 0.00 C ATOM 471 N4 DC A 15 16.190 4.083 11.101 1.00 0.00 N ATOM 472 C5 DC A 15 15.310 3.993 8.879 1.00 0.00 C ATOM 473 C6 DC A 15 14.951 3.209 7.843 1.00 0.00 C ATOM 0 H5' DC A 15 13.600 3.671 4.286 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.104 2.812 3.982 1.00 0.00 H new ATOM 0 H4' DC A 15 13.917 1.299 3.749 1.00 0.00 H new ATOM 0 H3' DC A 15 11.781 0.568 5.231 1.00 0.00 H new ATOM 0 H2' DC A 15 12.622 1.140 7.432 1.00 0.00 H new ATOM 0 H2'' DC A 15 13.196 -0.511 7.302 1.00 0.00 H new ATOM 0 H1' DC A 15 15.344 0.106 6.838 1.00 0.00 H new ATOM 0 H41 DC A 15 16.107 5.099 11.068 1.00 0.00 H new ATOM 0 H42 DC A 15 16.556 3.628 11.937 1.00 0.00 H new ATOM 0 H5 DC A 15 15.215 5.068 8.827 1.00 0.00 H new ATOM 0 H6 DC A 15 14.560 3.659 6.942 1.00 0.00 H new ATOM 485 P DG A 16 12.526 -1.332 3.467 1.00 0.00 P ATOM 486 OP1 DG A 16 12.866 -2.763 3.305 1.00 0.00 O ATOM 487 OP2 DG A 16 12.817 -0.376 2.374 1.00 0.00 O ATOM 488 O5' DG A 16 10.961 -1.223 3.834 1.00 0.00 O ATOM 489 C5' DG A 16 10.447 -1.828 5.027 1.00 0.00 C ATOM 490 C4' DG A 16 8.929 -1.705 5.113 1.00 0.00 C ATOM 491 O4' DG A 16 8.570 -0.319 5.016 1.00 0.00 O ATOM 492 C3' DG A 16 8.193 -2.452 4.009 1.00 0.00 C ATOM 493 O3' DG A 16 7.041 -3.099 4.560 1.00 0.00 O ATOM 494 C2' DG A 16 7.748 -1.377 3.020 1.00 0.00 C ATOM 495 C1' DG A 16 7.949 -0.055 3.757 1.00 0.00 C ATOM 496 N9 DG A 16 8.806 0.903 3.034 1.00 0.00 N ATOM 497 C8 DG A 16 9.982 0.679 2.378 1.00 0.00 C ATOM 498 N7 DG A 16 10.510 1.725 1.817 1.00 0.00 N ATOM 499 C5 DG A 16 9.607 2.741 2.125 1.00 0.00 C ATOM 500 C6 DG A 16 9.640 4.121 1.786 1.00 0.00 C ATOM 501 O6 DG A 16 10.485 4.726 1.130 1.00 0.00 O ATOM 502 N1 DG A 16 8.540 4.797 2.298 1.00 0.00 N ATOM 503 C2 DG A 16 7.531 4.221 3.043 1.00 0.00 C ATOM 504 N2 DG A 16 6.560 5.037 3.454 1.00 0.00 N ATOM 505 N3 DG A 16 7.496 2.923 3.362 1.00 0.00 N ATOM 506 C4 DG A 16 8.561 2.247 2.872 1.00 0.00 C ATOM 0 H5' DG A 16 10.900 -1.356 5.899 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.729 -2.881 5.052 1.00 0.00 H new ATOM 0 H4' DG A 16 8.636 -2.147 6.065 1.00 0.00 H new ATOM 0 H3' DG A 16 8.818 -3.210 3.537 1.00 0.00 H new ATOM 0 H2' DG A 16 8.340 -1.413 2.105 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.706 -1.513 2.731 1.00 0.00 H new ATOM 0 H1' DG A 16 6.961 0.393 3.859 1.00 0.00 H new ATOM 0 H8 DG A 16 10.440 -0.298 2.329 1.00 0.00 H new ATOM 0 H1 DG A 16 8.473 5.797 2.109 1.00 0.00 H new ATOM 0 H21 DG A 16 5.786 4.670 4.008 1.00 0.00 H new ATOM 0 H22 DG A 16 6.591 6.028 3.214 1.00 0.00 H new ATOM 518 P DG A 17 7.075 -4.670 4.920 1.00 0.00 P ATOM 519 OP1 DG A 17 5.832 -5.006 5.649 1.00 0.00 O ATOM 520 OP2 DG A 17 8.393 -4.982 5.521 1.00 0.00 O ATOM 521 O5' DG A 17 7.000 -5.361 3.465 1.00 0.00 O ATOM 522 C5' DG A 17 7.647 -6.610 3.223 1.00 0.00 C ATOM 523 C4' DG A 17 8.131 -6.726 1.779 1.00 0.00 C ATOM 524 O4' DG A 17 7.085 -7.282 0.953 1.00 0.00 O ATOM 525 C3' DG A 17 8.564 -5.403 1.151 1.00 0.00 C ATOM 526 O3' DG A 17 9.996 -5.372 1.066 1.00 0.00 O ATOM 527 C2' DG A 17 7.964 -5.396 -0.258 1.00 0.00 C ATOM 528 C1' DG A 17 7.201 -6.719 -0.353 1.00 0.00 C ATOM 529 N9 DG A 17 5.844 -6.576 -0.900 1.00 0.00 N ATOM 530 C8 DG A 17 5.468 -6.413 -2.197 1.00 0.00 C ATOM 531 N7 DG A 17 4.189 -6.306 -2.394 1.00 0.00 N ATOM 532 C5 DG A 17 3.660 -6.408 -1.107 1.00 0.00 C ATOM 533 C6 DG A 17 2.307 -6.363 -0.673 1.00 0.00 C ATOM 534 O6 DG A 17 1.293 -6.224 -1.353 1.00 0.00 O ATOM 535 N1 DG A 17 2.209 -6.501 0.705 1.00 0.00 N ATOM 536 C2 DG A 17 3.277 -6.662 1.562 1.00 0.00 C ATOM 537 N2 DG A 17 2.982 -6.771 2.857 1.00 0.00 N ATOM 538 N3 DG A 17 4.552 -6.707 1.158 1.00 0.00 N ATOM 539 C4 DG A 17 4.668 -6.573 -0.185 1.00 0.00 C ATOM 0 H5' DG A 17 6.958 -7.425 3.442 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.494 -6.718 3.900 1.00 0.00 H new ATOM 0 H4' DG A 17 9.008 -7.371 1.823 1.00 0.00 H new ATOM 0 H3' DG A 17 8.234 -4.543 1.733 1.00 0.00 H new ATOM 0 H2' DG A 17 7.301 -4.543 -0.403 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.740 -5.329 -1.020 1.00 0.00 H new ATOM 0 H1' DG A 17 7.768 -7.355 -1.032 1.00 0.00 H new ATOM 0 H8 DG A 17 6.183 -6.375 -3.006 1.00 0.00 H new ATOM 0 H1 DG A 17 1.275 -6.482 1.115 1.00 0.00 H new ATOM 0 H21 DG A 17 3.728 -6.892 3.542 1.00 0.00 H new ATOM 0 H22 DG A 17 2.010 -6.733 3.163 1.00 0.00 H new ATOM 551 P DG A 18 10.811 -4.061 1.524 1.00 0.00 P ATOM 552 OP1 DG A 18 12.249 -4.295 1.259 1.00 0.00 O ATOM 553 OP2 DG A 18 10.362 -3.698 2.887 1.00 0.00 O ATOM 554 O5' DG A 18 10.278 -2.947 0.488 1.00 0.00 O ATOM 555 C5' DG A 18 10.587 -3.059 -0.906 1.00 0.00 C ATOM 556 C4' DG A 18 9.575 -2.322 -1.779 1.00 0.00 C ATOM 557 O4' DG A 18 8.278 -2.862 -1.581 1.00 0.00 O ATOM 558 C3' DG A 18 9.468 -0.843 -1.487 1.00 0.00 C ATOM 559 O3' DG A 18 10.341 -0.131 -2.365 1.00 0.00 O ATOM 560 C2' DG A 18 8.017 -0.498 -1.803 1.00 0.00 C ATOM 561 C1' DG A 18 7.327 -1.854 -1.961 1.00 0.00 C ATOM 562 N9 DG A 18 6.125 -2.009 -1.119 1.00 0.00 N ATOM 563 C8 DG A 18 6.027 -2.369 0.195 1.00 0.00 C ATOM 564 N7 DG A 18 4.817 -2.387 0.675 1.00 0.00 N ATOM 565 C5 DG A 18 4.036 -2.007 -0.416 1.00 0.00 C ATOM 566 C6 DG A 18 2.626 -1.845 -0.516 1.00 0.00 C ATOM 567 O6 DG A 18 1.775 -2.005 0.356 1.00 0.00 O ATOM 568 N1 DG A 18 2.248 -1.454 -1.795 1.00 0.00 N ATOM 569 C2 DG A 18 3.117 -1.243 -2.848 1.00 0.00 C ATOM 570 N2 DG A 18 2.569 -0.877 -4.004 1.00 0.00 N ATOM 571 N3 DG A 18 4.441 -1.393 -2.755 1.00 0.00 N ATOM 572 C4 DG A 18 4.829 -1.775 -1.517 1.00 0.00 C ATOM 0 H5' DG A 18 10.610 -4.112 -1.188 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.584 -2.658 -1.089 1.00 0.00 H new ATOM 0 H4' DG A 18 9.938 -2.452 -2.799 1.00 0.00 H new ATOM 0 H3' DG A 18 9.740 -0.587 -0.463 1.00 0.00 H new ATOM 0 H2' DG A 18 7.565 0.087 -1.002 1.00 0.00 H new ATOM 0 H2'' DG A 18 7.939 0.095 -2.714 1.00 0.00 H new ATOM 0 H1' DG A 18 6.998 -1.942 -2.996 1.00 0.00 H new ATOM 0 H8 DG A 18 6.891 -2.621 0.792 1.00 0.00 H new ATOM 0 H1 DG A 18 1.253 -1.312 -1.970 1.00 0.00 H new ATOM 0 H21 DG A 18 3.160 -0.707 -4.817 1.00 0.00 H new ATOM 0 H22 DG A 18 1.558 -0.767 -4.077 1.00 0.00 H new ATOM 584 P DG A 19 10.600 1.440 -2.143 1.00 0.00 P ATOM 585 OP1 DG A 19 11.858 1.805 -2.831 1.00 0.00 O ATOM 586 OP2 DG A 19 10.439 1.729 -0.700 1.00 0.00 O ATOM 587 O5' DG A 19 9.368 2.112 -2.940 1.00 0.00 O ATOM 588 C5' DG A 19 9.307 2.036 -4.369 1.00 0.00 C ATOM 589 C4' DG A 19 7.980 2.555 -4.919 1.00 0.00 C ATOM 590 O4' DG A 19 6.903 1.754 -4.456 1.00 0.00 O ATOM 591 C3' DG A 19 7.655 3.980 -4.529 1.00 0.00 C ATOM 592 O3' DG A 19 8.208 4.888 -5.488 1.00 0.00 O ATOM 593 C2' DG A 19 6.134 4.022 -4.597 1.00 0.00 C ATOM 594 C1' DG A 19 5.715 2.563 -4.417 1.00 0.00 C ATOM 595 N9 DG A 19 5.022 2.306 -3.140 1.00 0.00 N ATOM 596 C8 DG A 19 5.540 1.912 -1.940 1.00 0.00 C ATOM 597 N7 DG A 19 4.676 1.798 -0.976 1.00 0.00 N ATOM 598 C5 DG A 19 3.472 2.146 -1.585 1.00 0.00 C ATOM 599 C6 DG A 19 2.159 2.211 -1.039 1.00 0.00 C ATOM 600 O6 DG A 19 1.798 1.972 0.111 1.00 0.00 O ATOM 601 N1 DG A 19 1.230 2.601 -1.995 1.00 0.00 N ATOM 602 C2 DG A 19 1.524 2.895 -3.311 1.00 0.00 C ATOM 603 N2 DG A 19 0.496 3.249 -4.083 1.00 0.00 N ATOM 604 N3 DG A 19 2.756 2.839 -3.825 1.00 0.00 N ATOM 605 C4 DG A 19 3.675 2.458 -2.909 1.00 0.00 C ATOM 0 H5' DG A 19 9.448 1.002 -4.682 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.126 2.614 -4.797 1.00 0.00 H new ATOM 0 H4' DG A 19 8.100 2.511 -6.002 1.00 0.00 H new ATOM 0 H3' DG A 19 8.054 4.261 -3.554 1.00 0.00 H new ATOM 0 H2' DG A 19 5.717 4.656 -3.815 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.788 4.422 -5.550 1.00 0.00 H new ATOM 0 H1' DG A 19 5.015 2.321 -5.217 1.00 0.00 H new ATOM 0 H8 DG A 19 6.592 1.710 -1.802 1.00 0.00 H new ATOM 0 H1 DG A 19 0.256 2.676 -1.702 1.00 0.00 H new ATOM 0 H21 DG A 19 0.651 3.478 -5.065 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.445 3.291 -3.692 1.00 0.00 H new ATOM 617 P DT A 20 8.654 6.364 -5.028 1.00 0.00 P ATOM 618 OP1 DT A 20 9.266 7.053 -6.187 1.00 0.00 O ATOM 619 OP2 DT A 20 9.405 6.240 -3.761 1.00 0.00 O ATOM 620 O5' DT A 20 7.244 7.070 -4.710 1.00 0.00 O ATOM 621 C5' DT A 20 6.298 7.281 -5.757 1.00 0.00 C ATOM 622 C4' DT A 20 4.934 7.716 -5.217 1.00 0.00 C ATOM 623 O4' DT A 20 4.505 6.812 -4.180 1.00 0.00 O ATOM 624 C3' DT A 20 4.919 9.104 -4.595 1.00 0.00 C ATOM 625 O3' DT A 20 4.713 10.134 -5.573 1.00 0.00 O ATOM 626 C2' DT A 20 3.746 8.993 -3.637 1.00 0.00 C ATOM 627 C1' DT A 20 3.945 7.584 -3.106 1.00 0.00 C ATOM 628 N1 DT A 20 4.882 7.518 -1.976 1.00 0.00 N ATOM 629 C2 DT A 20 4.365 7.719 -0.712 1.00 0.00 C ATOM 630 O2 DT A 20 3.166 7.901 -0.518 1.00 0.00 O ATOM 631 N3 DT A 20 5.279 7.699 0.323 1.00 0.00 N ATOM 632 C4 DT A 20 6.643 7.498 0.201 1.00 0.00 C ATOM 633 O4 DT A 20 7.369 7.509 1.192 1.00 0.00 O ATOM 634 C5 DT A 20 7.088 7.293 -1.160 1.00 0.00 C ATOM 635 C7 DT A 20 8.570 7.069 -1.441 1.00 0.00 C ATOM 636 C6 DT A 20 6.215 7.307 -2.185 1.00 0.00 C ATOM 0 H5' DT A 20 6.184 6.363 -6.333 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.677 8.041 -6.440 1.00 0.00 H new ATOM 0 H4' DT A 20 4.278 7.715 -6.088 1.00 0.00 H new ATOM 0 H3' DT A 20 5.859 9.382 -4.118 1.00 0.00 H new ATOM 0 H2' DT A 20 3.786 9.742 -2.846 1.00 0.00 H new ATOM 0 H2'' DT A 20 2.787 9.113 -4.142 1.00 0.00 H new ATOM 0 HO3' DT A 20 4.709 11.009 -5.131 1.00 0.00 H new ATOM 0 H1' DT A 20 2.982 7.213 -2.753 1.00 0.00 H new ATOM 0 H3 DT A 20 4.915 7.846 1.265 1.00 0.00 H new ATOM 0 H71 DT A 20 9.165 7.593 -0.693 1.00 0.00 H new ATOM 0 H72 DT A 20 8.791 6.003 -1.399 1.00 0.00 H new ATOM 0 H73 DT A 20 8.814 7.451 -2.432 1.00 0.00 H new ATOM 0 H6 DT A 20 6.575 7.148 -3.191 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.542 5.660 0.891 1.00 0.00 C HETATM 652 C2 BER A 101 -1.860 5.907 0.526 1.00 0.00 C HETATM 653 N1 BER A 101 -0.246 5.438 2.179 1.00 0.00 N HETATM 654 C3 BER A 101 0.451 5.643 -0.081 1.00 0.00 C HETATM 655 C4 BER A 101 -2.851 5.967 1.495 1.00 0.00 C HETATM 656 C5 BER A 101 -2.203 6.176 -0.793 1.00 0.00 C HETATM 657 C6 BER A 101 1.076 5.173 2.562 1.00 0.00 C HETATM 658 C7 BER A 101 -1.330 5.106 3.133 1.00 0.00 C HETATM 659 C8 BER A 101 1.769 5.386 0.273 1.00 0.00 C HETATM 660 C9 BER A 101 -4.138 6.301 1.087 1.00 0.00 C HETATM 661 C10 BER A 101 -2.508 6.040 2.841 1.00 0.00 C HETATM 662 C11 BER A 101 -3.450 6.508 -1.117 1.00 0.00 C HETATM 663 C12 BER A 101 2.082 5.132 1.603 1.00 0.00 C HETATM 664 C13 BER A 101 2.737 5.254 -0.715 1.00 0.00 C HETATM 665 C14 BER A 101 -4.402 6.573 -0.189 1.00 0.00 C HETATM 666 O1 BER A 101 -3.941 6.846 -2.338 1.00 0.00 O HETATM 667 C15 BER A 101 3.378 4.768 1.952 1.00 0.00 C HETATM 668 C16 BER A 101 4.035 4.897 -0.373 1.00 0.00 C HETATM 669 O2 BER A 101 -5.588 6.945 -0.743 1.00 0.00 O HETATM 670 C17 BER A 101 -5.366 6.875 -2.159 1.00 0.00 C HETATM 671 C18 BER A 101 4.346 4.661 0.961 1.00 0.00 C HETATM 672 O3 BER A 101 3.691 4.494 3.248 1.00 0.00 O HETATM 673 O4 BER A 101 5.617 4.397 1.370 1.00 0.00 O HETATM 674 C19 BER A 101 3.700 5.703 4.010 1.00 0.00 C HETATM 675 C20 BER A 101 6.475 4.298 0.231 1.00 0.00 C HETATM 0 H203 BER A 101 6.128 3.493 -0.417 1.00 0.00 H new HETATM 0 H202 BER A 101 6.459 5.239 -0.319 1.00 0.00 H new HETATM 0 H201 BER A 101 7.493 4.087 0.559 1.00 0.00 H new HETATM 0 H193 BER A 101 4.441 6.388 3.598 1.00 0.00 H new HETATM 0 H192 BER A 101 2.715 6.167 3.968 1.00 0.00 H new HETATM 0 H191 BER A 101 3.951 5.478 5.047 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.805 7.735 -2.665 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.830 5.984 -2.583 1.00 0.00 H new HETATM 0 H161 BER A 101 4.801 4.803 -1.142 1.00 0.00 H new HETATM 0 H131 BER A 101 2.478 5.431 -1.759 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.244 7.065 3.102 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.363 5.764 3.458 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.942 6.341 1.822 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.631 4.064 3.023 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.988 5.232 4.160 1.00 0.00 H new HETATM 0 H61 BER A 101 1.315 4.999 3.611 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.442 6.114 -1.571 1.00 0.00 H new HETATM 0 H31 BER A 101 0.195 5.832 -1.124 1.00 0.00 H new