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 59:sc= 1.37 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.79! (180deg=-7.34!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.164 -3.915 -7.623 1.00 0.00 O ATOM 2 C5' DG A 1 3.065 -4.045 -9.041 1.00 0.00 C ATOM 3 C4' DG A 1 1.638 -3.797 -9.530 1.00 0.00 C ATOM 4 O4' DG A 1 0.741 -4.708 -8.903 1.00 0.00 O ATOM 5 C3' DG A 1 1.108 -2.407 -9.232 1.00 0.00 C ATOM 6 O3' DG A 1 1.444 -1.519 -10.302 1.00 0.00 O ATOM 7 C2' DG A 1 -0.400 -2.607 -9.178 1.00 0.00 C ATOM 8 C1' DG A 1 -0.558 -4.093 -8.852 1.00 0.00 C ATOM 9 N9 DG A 1 -1.127 -4.341 -7.514 1.00 0.00 N ATOM 10 C8 DG A 1 -2.428 -4.259 -7.107 1.00 0.00 C ATOM 11 N7 DG A 1 -2.632 -4.508 -5.848 1.00 0.00 N ATOM 12 C5 DG A 1 -1.352 -4.783 -5.367 1.00 0.00 C ATOM 13 C6 DG A 1 -0.929 -5.126 -4.054 1.00 0.00 C ATOM 14 O6 DG A 1 -1.612 -5.252 -3.039 1.00 0.00 O ATOM 15 N1 DG A 1 0.446 -5.322 -3.997 1.00 0.00 N ATOM 16 C2 DG A 1 1.308 -5.204 -5.067 1.00 0.00 C ATOM 17 N2 DG A 1 2.596 -5.435 -4.813 1.00 0.00 N ATOM 18 N3 DG A 1 0.913 -4.879 -6.304 1.00 0.00 N ATOM 19 C4 DG A 1 -0.424 -4.683 -6.381 1.00 0.00 C ATOM 0 H5' DG A 1 3.384 -5.044 -9.339 1.00 0.00 H new ATOM 0 H5'' DG A 1 3.743 -3.338 -9.520 1.00 0.00 H new ATOM 0 H4' DG A 1 1.690 -3.926 -10.611 1.00 0.00 H new ATOM 0 H3' DG A 1 1.517 -1.978 -8.317 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.860 -1.979 -8.415 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.872 -2.353 -10.127 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.555 -4.551 -7.193 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.249 -4.511 -9.585 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.231 -4.005 -7.784 1.00 0.00 H new ATOM 0 H1 DG A 1 0.849 -5.572 -3.094 1.00 0.00 H new ATOM 0 H21 DG A 1 3.284 -5.364 -5.562 1.00 0.00 H new ATOM 0 H22 DG A 1 2.893 -5.683 -3.869 1.00 0.00 H new ATOM 32 P DG A 2 1.708 0.041 -10.005 1.00 0.00 P ATOM 33 OP1 DG A 2 2.083 0.701 -11.277 1.00 0.00 O ATOM 34 OP2 DG A 2 2.602 0.140 -8.830 1.00 0.00 O ATOM 35 O5' DG A 2 0.245 0.566 -9.573 1.00 0.00 O ATOM 36 C5' DG A 2 -0.829 0.572 -10.517 1.00 0.00 C ATOM 37 C4' DG A 2 -2.189 0.699 -9.832 1.00 0.00 C ATOM 38 O4' DG A 2 -2.378 -0.382 -8.929 1.00 0.00 O ATOM 39 C3' DG A 2 -2.359 1.976 -9.019 1.00 0.00 C ATOM 40 O3' DG A 2 -2.902 3.013 -9.838 1.00 0.00 O ATOM 41 C2' DG A 2 -3.362 1.575 -7.954 1.00 0.00 C ATOM 42 C1' DG A 2 -3.071 0.089 -7.761 1.00 0.00 C ATOM 43 N9 DG A 2 -2.220 -0.193 -6.590 1.00 0.00 N ATOM 44 C8 DG A 2 -0.856 -0.237 -6.508 1.00 0.00 C ATOM 45 N7 DG A 2 -0.382 -0.480 -5.322 1.00 0.00 N ATOM 46 C5 DG A 2 -1.529 -0.612 -4.541 1.00 0.00 C ATOM 47 C6 DG A 2 -1.658 -0.883 -3.151 1.00 0.00 C ATOM 48 O6 DG A 2 -0.767 -1.055 -2.320 1.00 0.00 O ATOM 49 N1 DG A 2 -2.991 -0.936 -2.763 1.00 0.00 N ATOM 50 C2 DG A 2 -4.069 -0.752 -3.606 1.00 0.00 C ATOM 51 N2 DG A 2 -5.277 -0.844 -3.050 1.00 0.00 N ATOM 52 N3 DG A 2 -3.951 -0.494 -4.913 1.00 0.00 N ATOM 53 C4 DG A 2 -2.659 -0.440 -5.310 1.00 0.00 C ATOM 0 H5' DG A 2 -0.802 -0.347 -11.103 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.695 1.399 -11.214 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.916 0.705 -10.644 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.422 2.356 -8.611 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.220 2.138 -7.032 1.00 0.00 H new ATOM 0 H2'' DG A 2 -4.388 1.748 -8.279 1.00 0.00 H new ATOM 0 H1' DG A 2 -4.026 -0.411 -7.602 1.00 0.00 H new ATOM 0 H8 DG A 2 -0.219 -0.081 -7.366 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.188 -1.125 -1.780 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.112 -0.718 -3.621 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.366 -1.041 -2.053 1.00 0.00 H new ATOM 65 P DG A 3 -2.695 4.554 -9.426 1.00 0.00 P ATOM 66 OP1 DG A 3 -3.084 5.397 -10.578 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.347 4.693 -8.829 1.00 0.00 O ATOM 68 O5' DG A 3 -3.788 4.751 -8.262 1.00 0.00 O ATOM 69 C5' DG A 3 -5.183 4.645 -8.557 1.00 0.00 C ATOM 70 C4' DG A 3 -6.044 4.934 -7.331 1.00 0.00 C ATOM 71 O4' DG A 3 -5.735 4.021 -6.297 1.00 0.00 O ATOM 72 C3' DG A 3 -5.854 6.339 -6.764 1.00 0.00 C ATOM 73 O3' DG A 3 -6.924 7.178 -7.206 1.00 0.00 O ATOM 74 C2' DG A 3 -5.928 6.166 -5.254 1.00 0.00 C ATOM 75 C1' DG A 3 -5.780 4.666 -5.021 1.00 0.00 C ATOM 76 N9 DG A 3 -4.552 4.291 -4.291 1.00 0.00 N ATOM 77 C8 DG A 3 -3.255 4.316 -4.719 1.00 0.00 C ATOM 78 N7 DG A 3 -2.377 3.935 -3.841 1.00 0.00 N ATOM 79 C5 DG A 3 -3.153 3.628 -2.726 1.00 0.00 C ATOM 80 C6 DG A 3 -2.758 3.155 -1.446 1.00 0.00 C ATOM 81 O6 DG A 3 -1.623 2.913 -1.039 1.00 0.00 O ATOM 82 N1 DG A 3 -3.853 2.971 -0.611 1.00 0.00 N ATOM 83 C2 DG A 3 -5.165 3.210 -0.961 1.00 0.00 C ATOM 84 N2 DG A 3 -6.080 2.970 -0.022 1.00 0.00 N ATOM 85 N3 DG A 3 -5.541 3.656 -2.165 1.00 0.00 N ATOM 86 C4 DG A 3 -4.487 3.842 -2.993 1.00 0.00 C ATOM 0 H5' DG A 3 -5.401 3.643 -8.927 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.440 5.342 -9.354 1.00 0.00 H new ATOM 0 H4' DG A 3 -7.075 4.838 -7.671 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.916 6.794 -7.082 1.00 0.00 H new ATOM 0 H2' DG A 3 -5.136 6.723 -4.754 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.875 6.535 -4.860 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.629 4.357 -4.411 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.980 4.630 -5.715 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.672 2.633 0.334 1.00 0.00 H new ATOM 0 H21 DG A 3 -7.068 3.128 -0.221 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.792 2.629 0.895 1.00 0.00 H new ATOM 98 P DG A 4 -6.724 8.163 -8.463 1.00 0.00 P ATOM 99 OP1 DG A 4 -5.301 8.569 -8.510 1.00 0.00 O ATOM 100 OP2 DG A 4 -7.785 9.194 -8.418 1.00 0.00 O ATOM 101 O5' DG A 4 -7.016 7.196 -9.717 1.00 0.00 O ATOM 102 C5' DG A 4 -8.360 6.864 -10.077 1.00 0.00 C ATOM 103 C4' DG A 4 -8.416 6.114 -11.406 1.00 0.00 C ATOM 104 O4' DG A 4 -7.934 6.967 -12.439 1.00 0.00 O ATOM 105 C3' DG A 4 -7.579 4.843 -11.427 1.00 0.00 C ATOM 106 O3' DG A 4 -8.274 3.835 -12.170 1.00 0.00 O ATOM 107 C2' DG A 4 -6.297 5.229 -12.152 1.00 0.00 C ATOM 108 C1' DG A 4 -6.621 6.554 -12.839 1.00 0.00 C ATOM 109 N9 DG A 4 -5.690 7.643 -12.494 1.00 0.00 N ATOM 110 C8 DG A 4 -5.086 7.913 -11.299 1.00 0.00 C ATOM 111 N7 DG A 4 -4.309 8.955 -11.296 1.00 0.00 N ATOM 112 C5 DG A 4 -4.401 9.424 -12.605 1.00 0.00 C ATOM 113 C6 DG A 4 -3.776 10.544 -13.216 1.00 0.00 C ATOM 114 O6 DG A 4 -3.002 11.355 -12.711 1.00 0.00 O ATOM 115 N1 DG A 4 -4.137 10.663 -14.551 1.00 0.00 N ATOM 116 C2 DG A 4 -4.996 9.812 -15.219 1.00 0.00 C ATOM 117 N2 DG A 4 -5.224 10.090 -16.503 1.00 0.00 N ATOM 118 N3 DG A 4 -5.586 8.759 -14.647 1.00 0.00 N ATOM 119 C4 DG A 4 -5.245 8.626 -13.345 1.00 0.00 C ATOM 0 H5' DG A 4 -8.954 7.775 -10.147 1.00 0.00 H new ATOM 0 H5'' DG A 4 -8.807 6.252 -9.294 1.00 0.00 H new ATOM 0 H4' DG A 4 -9.457 5.827 -11.553 1.00 0.00 H new ATOM 0 H3' DG A 4 -7.382 4.452 -10.429 1.00 0.00 H new ATOM 0 H2' DG A 4 -5.466 5.338 -11.455 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.008 4.468 -12.877 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.541 6.376 -13.911 1.00 0.00 H new ATOM 0 H8 DG A 4 -5.243 7.305 -10.420 1.00 0.00 H new ATOM 0 H1 DG A 4 -3.737 11.438 -15.079 1.00 0.00 H new ATOM 0 H21 DG A 4 -5.849 9.498 -17.050 1.00 0.00 H new ATOM 0 H22 DG A 4 -4.773 10.895 -16.938 1.00 0.00 H new ATOM 131 P DC A 5 -9.207 2.760 -11.415 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.059 2.097 -12.428 1.00 0.00 O ATOM 133 OP2 DC A 5 -9.828 3.425 -10.250 1.00 0.00 O ATOM 134 O5' DC A 5 -8.138 1.683 -10.872 1.00 0.00 O ATOM 135 C5' DC A 5 -7.153 1.134 -11.751 1.00 0.00 C ATOM 136 C4' DC A 5 -6.515 -0.131 -11.173 1.00 0.00 C ATOM 137 O4' DC A 5 -5.970 0.144 -9.863 1.00 0.00 O ATOM 138 C3' DC A 5 -7.489 -1.298 -11.001 1.00 0.00 C ATOM 139 O3' DC A 5 -6.838 -2.519 -11.377 1.00 0.00 O ATOM 140 C2' DC A 5 -7.781 -1.320 -9.511 1.00 0.00 C ATOM 141 C1' DC A 5 -6.450 -0.849 -8.951 1.00 0.00 C ATOM 142 N1 DC A 5 -6.512 -0.246 -7.603 1.00 0.00 N ATOM 143 C2 DC A 5 -6.353 -1.097 -6.522 1.00 0.00 C ATOM 144 O2 DC A 5 -6.179 -2.301 -6.708 1.00 0.00 O ATOM 145 N3 DC A 5 -6.378 -0.565 -5.269 1.00 0.00 N ATOM 146 C4 DC A 5 -6.551 0.752 -5.084 1.00 0.00 C ATOM 147 N4 DC A 5 -6.565 1.242 -3.843 1.00 0.00 N ATOM 148 C5 DC A 5 -6.715 1.635 -6.199 1.00 0.00 C ATOM 149 C6 DC A 5 -6.690 1.096 -7.436 1.00 0.00 C ATOM 0 H5' DC A 5 -6.379 1.878 -11.939 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.612 0.903 -12.712 1.00 0.00 H new ATOM 0 H4' DC A 5 -5.752 -0.418 -11.896 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.388 -1.195 -11.608 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.601 -0.655 -9.241 1.00 0.00 H new ATOM 0 H2'' DC A 5 -8.049 -2.316 -9.157 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.807 -1.723 -8.847 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.696 2.242 -3.691 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.445 0.616 -3.046 1.00 0.00 H new ATOM 0 H5 DC A 5 -6.854 2.696 -6.055 1.00 0.00 H new ATOM 0 H6 DC A 5 -6.812 1.732 -8.300 1.00 0.00 H new ATOM 161 P DG A 6 -7.696 -3.841 -11.722 1.00 0.00 P ATOM 162 OP1 DG A 6 -6.822 -4.778 -12.463 1.00 0.00 O ATOM 163 OP2 DG A 6 -8.983 -3.412 -12.315 1.00 0.00 O ATOM 164 O5' DG A 6 -7.991 -4.471 -10.266 1.00 0.00 O ATOM 165 C5' DG A 6 -9.178 -5.240 -10.038 1.00 0.00 C ATOM 166 C4' DG A 6 -9.224 -5.838 -8.630 1.00 0.00 C ATOM 167 O4' DG A 6 -8.178 -6.778 -8.439 1.00 0.00 O ATOM 168 C3' DG A 6 -9.068 -4.831 -7.506 1.00 0.00 C ATOM 169 O3' DG A 6 -10.335 -4.245 -7.197 1.00 0.00 O ATOM 170 C2' DG A 6 -8.602 -5.696 -6.342 1.00 0.00 C ATOM 171 C1' DG A 6 -7.942 -6.895 -7.029 1.00 0.00 C ATOM 172 N9 DG A 6 -6.491 -6.961 -6.811 1.00 0.00 N ATOM 173 C8 DG A 6 -5.484 -6.421 -7.555 1.00 0.00 C ATOM 174 N7 DG A 6 -4.286 -6.630 -7.095 1.00 0.00 N ATOM 175 C5 DG A 6 -4.516 -7.376 -5.940 1.00 0.00 C ATOM 176 C6 DG A 6 -3.592 -7.905 -5.000 1.00 0.00 C ATOM 177 O6 DG A 6 -2.368 -7.815 -5.003 1.00 0.00 O ATOM 178 N1 DG A 6 -4.239 -8.592 -3.981 1.00 0.00 N ATOM 179 C2 DG A 6 -5.605 -8.753 -3.875 1.00 0.00 C ATOM 180 N2 DG A 6 -6.037 -9.445 -2.820 1.00 0.00 N ATOM 181 N3 DG A 6 -6.477 -8.257 -4.757 1.00 0.00 N ATOM 182 C4 DG A 6 -5.864 -7.583 -5.760 1.00 0.00 C ATOM 0 H5' DG A 6 -9.234 -6.043 -10.773 1.00 0.00 H new ATOM 0 H5'' DG A 6 -10.052 -4.607 -10.190 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.217 -6.285 -8.579 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.388 -4.013 -7.744 1.00 0.00 H new ATOM 0 H2' DG A 6 -7.899 -5.163 -5.702 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.436 -6.004 -5.712 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.375 -7.800 -6.603 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.668 -5.861 -8.460 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.659 -9.010 -3.254 1.00 0.00 H new ATOM 0 H21 DG A 6 -7.036 -9.599 -2.685 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.368 -9.821 -2.148 1.00 0.00 H new ATOM 194 P DG A 7 -10.420 -2.804 -6.479 1.00 0.00 P ATOM 195 OP1 DG A 7 -11.793 -2.281 -6.665 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.258 -1.998 -6.914 1.00 0.00 O ATOM 197 O5' DG A 7 -10.225 -3.172 -4.922 1.00 0.00 O ATOM 198 C5' DG A 7 -11.183 -4.001 -4.265 1.00 0.00 C ATOM 199 C4' DG A 7 -10.893 -4.169 -2.771 1.00 0.00 C ATOM 200 O4' DG A 7 -9.626 -4.790 -2.511 1.00 0.00 O ATOM 201 C3' DG A 7 -10.848 -2.866 -1.963 1.00 0.00 C ATOM 202 O3' DG A 7 -12.172 -2.495 -1.558 1.00 0.00 O ATOM 203 C2' DG A 7 -10.025 -3.271 -0.732 1.00 0.00 C ATOM 204 C1' DG A 7 -9.504 -4.651 -1.104 1.00 0.00 C ATOM 205 N9 DG A 7 -8.106 -4.919 -0.683 1.00 0.00 N ATOM 206 C8 DG A 7 -7.665 -5.222 0.572 1.00 0.00 C ATOM 207 N7 DG A 7 -6.386 -5.382 0.691 1.00 0.00 N ATOM 208 C5 DG A 7 -5.911 -5.171 -0.598 1.00 0.00 C ATOM 209 C6 DG A 7 -4.576 -5.215 -1.080 1.00 0.00 C ATOM 210 O6 DG A 7 -3.546 -5.442 -0.449 1.00 0.00 O ATOM 211 N1 DG A 7 -4.515 -4.951 -2.437 1.00 0.00 N ATOM 212 C2 DG A 7 -5.605 -4.675 -3.240 1.00 0.00 C ATOM 213 N2 DG A 7 -5.339 -4.450 -4.526 1.00 0.00 N ATOM 214 N3 DG A 7 -6.873 -4.630 -2.791 1.00 0.00 N ATOM 215 C4 DG A 7 -6.952 -4.888 -1.460 1.00 0.00 C ATOM 0 H5' DG A 7 -11.196 -4.982 -4.741 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.177 -3.572 -4.392 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.737 -4.784 -2.458 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.436 -2.021 -2.514 1.00 0.00 H new ATOM 0 H2' DG A 7 -9.212 -2.571 -0.543 1.00 0.00 H new ATOM 0 H2'' DG A 7 -10.637 -3.301 0.170 1.00 0.00 H new ATOM 0 H1' DG A 7 -10.103 -5.384 -0.564 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.338 -5.322 1.411 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.595 -4.961 -2.878 1.00 0.00 H new ATOM 0 H21 DG A 7 -6.098 -4.240 -5.175 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.377 -4.488 -4.862 1.00 0.00 H new ATOM 227 P DG A 8 -12.536 -0.968 -1.209 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.975 -0.907 -0.871 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.991 -0.106 -2.280 1.00 0.00 O ATOM 230 O5' DG A 8 -11.690 -0.701 0.137 1.00 0.00 O ATOM 231 C5' DG A 8 -11.989 -1.431 1.330 1.00 0.00 C ATOM 232 C4' DG A 8 -10.801 -1.470 2.287 1.00 0.00 C ATOM 233 O4' DG A 8 -9.615 -1.943 1.634 1.00 0.00 O ATOM 234 C3' DG A 8 -10.420 -0.116 2.868 1.00 0.00 C ATOM 235 O3' DG A 8 -11.102 0.085 4.109 1.00 0.00 O ATOM 236 C2' DG A 8 -8.917 -0.226 3.122 1.00 0.00 C ATOM 237 C1' DG A 8 -8.518 -1.546 2.457 1.00 0.00 C ATOM 238 N9 DG A 8 -7.315 -1.460 1.609 1.00 0.00 N ATOM 239 C8 DG A 8 -7.205 -1.120 0.290 1.00 0.00 C ATOM 240 N7 DG A 8 -5.993 -1.122 -0.181 1.00 0.00 N ATOM 241 C5 DG A 8 -5.225 -1.499 0.920 1.00 0.00 C ATOM 242 C6 DG A 8 -3.818 -1.680 1.033 1.00 0.00 C ATOM 243 O6 DG A 8 -2.958 -1.535 0.166 1.00 0.00 O ATOM 244 N1 DG A 8 -3.456 -2.065 2.318 1.00 0.00 N ATOM 245 C2 DG A 8 -4.334 -2.254 3.366 1.00 0.00 C ATOM 246 N2 DG A 8 -3.798 -2.631 4.528 1.00 0.00 N ATOM 247 N3 DG A 8 -5.654 -2.083 3.264 1.00 0.00 N ATOM 248 C4 DG A 8 -6.027 -1.708 2.019 1.00 0.00 C ATOM 0 H5' DG A 8 -12.279 -2.449 1.070 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.843 -0.975 1.830 1.00 0.00 H new ATOM 0 H4' DG A 8 -11.140 -2.134 3.082 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.679 0.713 2.210 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.378 0.617 2.689 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.693 -0.234 4.189 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.283 -2.256 3.250 1.00 0.00 H new ATOM 0 H8 DG A 8 -8.062 -0.868 -0.317 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.465 -2.220 2.501 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.397 -2.786 5.339 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.790 -2.764 4.605 1.00 0.00 H new ATOM 260 P DG A 9 -10.955 1.481 4.895 1.00 0.00 P ATOM 261 OP1 DG A 9 -12.037 1.564 5.901 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.796 2.557 3.892 1.00 0.00 O ATOM 263 O5' DG A 9 -9.553 1.305 5.672 1.00 0.00 O ATOM 264 C5' DG A 9 -9.342 0.198 6.555 1.00 0.00 C ATOM 265 C4' DG A 9 -7.868 0.053 6.944 1.00 0.00 C ATOM 266 O4' DG A 9 -7.044 0.079 5.759 1.00 0.00 O ATOM 267 C3' DG A 9 -7.342 1.182 7.848 1.00 0.00 C ATOM 268 O3' DG A 9 -6.448 0.640 8.829 1.00 0.00 O ATOM 269 C2' DG A 9 -6.534 2.035 6.890 1.00 0.00 C ATOM 270 C1' DG A 9 -5.946 0.939 6.041 1.00 0.00 C ATOM 271 N9 DG A 9 -5.312 1.363 4.784 1.00 0.00 N ATOM 272 C8 DG A 9 -5.863 1.864 3.641 1.00 0.00 C ATOM 273 N7 DG A 9 -5.009 2.155 2.703 1.00 0.00 N ATOM 274 C5 DG A 9 -3.780 1.818 3.275 1.00 0.00 C ATOM 275 C6 DG A 9 -2.463 1.908 2.745 1.00 0.00 C ATOM 276 O6 DG A 9 -2.111 2.318 1.640 1.00 0.00 O ATOM 277 N1 DG A 9 -1.515 1.460 3.658 1.00 0.00 N ATOM 278 C2 DG A 9 -1.796 0.983 4.923 1.00 0.00 C ATOM 279 N2 DG A 9 -0.756 0.592 5.659 1.00 0.00 N ATOM 280 N3 DG A 9 -3.029 0.900 5.420 1.00 0.00 N ATOM 281 C4 DG A 9 -3.964 1.333 4.547 1.00 0.00 C ATOM 0 H5' DG A 9 -9.683 -0.719 6.075 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.944 0.331 7.454 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.812 -0.890 7.487 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.136 1.717 8.369 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.152 2.726 6.317 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.774 2.631 7.395 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.126 0.477 6.590 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.927 2.008 3.523 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.536 1.486 3.371 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.905 0.231 6.601 1.00 0.00 H new ATOM 0 H22 DG A 9 0.189 0.654 5.280 1.00 0.00 H new ATOM 293 P DC A 10 -6.990 -0.017 10.193 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.238 0.677 10.580 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.861 -0.097 11.147 1.00 0.00 O ATOM 296 O5' DC A 10 -7.361 -1.514 9.732 1.00 0.00 O ATOM 297 C5' DC A 10 -6.335 -2.502 9.592 1.00 0.00 C ATOM 298 C4' DC A 10 -6.925 -3.877 9.303 1.00 0.00 C ATOM 299 O4' DC A 10 -7.745 -4.280 10.402 1.00 0.00 O ATOM 300 C3' DC A 10 -7.792 -3.915 8.056 1.00 0.00 C ATOM 301 O3' DC A 10 -7.696 -5.203 7.445 1.00 0.00 O ATOM 302 C2' DC A 10 -9.199 -3.699 8.588 1.00 0.00 C ATOM 303 C1' DC A 10 -9.125 -4.238 10.015 1.00 0.00 C ATOM 304 N1 DC A 10 -9.838 -3.416 11.012 1.00 0.00 N ATOM 305 C2 DC A 10 -11.184 -3.679 11.210 1.00 0.00 C ATOM 306 O2 DC A 10 -11.743 -4.559 10.560 1.00 0.00 O ATOM 307 N3 DC A 10 -11.857 -2.942 12.139 1.00 0.00 N ATOM 308 C4 DC A 10 -11.233 -1.987 12.842 1.00 0.00 C ATOM 309 N4 DC A 10 -11.921 -1.286 13.744 1.00 0.00 N ATOM 310 C5 DC A 10 -9.844 -1.711 12.638 1.00 0.00 C ATOM 311 C6 DC A 10 -9.188 -2.445 11.717 1.00 0.00 C ATOM 0 H5' DC A 10 -5.741 -2.544 10.505 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.660 -2.217 8.785 1.00 0.00 H new ATOM 0 H4' DC A 10 -6.077 -4.544 9.149 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.502 -3.176 7.308 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.478 -2.645 8.570 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.940 -4.235 7.994 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.604 -5.217 10.003 1.00 0.00 H new ATOM 0 H41 DC A 10 -11.457 -0.557 14.285 1.00 0.00 H new ATOM 0 H42 DC A 10 -12.911 -1.479 13.893 1.00 0.00 H new ATOM 0 H5 DC A 10 -9.339 -0.941 13.202 1.00 0.00 H new ATOM 0 H6 DC A 10 -8.139 -2.263 11.536 1.00 0.00 H new ATOM 323 P DG A 11 -6.665 -5.453 6.234 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.420 -4.159 5.559 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.143 -6.616 5.451 1.00 0.00 O ATOM 326 O5' DG A 11 -5.317 -5.882 7.001 1.00 0.00 O ATOM 327 C5' DG A 11 -5.248 -7.135 7.681 1.00 0.00 C ATOM 328 C4' DG A 11 -3.877 -7.375 8.307 1.00 0.00 C ATOM 329 O4' DG A 11 -2.942 -7.792 7.275 1.00 0.00 O ATOM 330 C3' DG A 11 -3.282 -6.165 9.009 1.00 0.00 C ATOM 331 O3' DG A 11 -2.641 -6.570 10.224 1.00 0.00 O ATOM 332 C2' DG A 11 -2.234 -5.665 8.016 1.00 0.00 C ATOM 333 C1' DG A 11 -1.777 -6.965 7.343 1.00 0.00 C ATOM 334 N9 DG A 11 -1.241 -6.803 5.979 1.00 0.00 N ATOM 335 C8 DG A 11 0.054 -6.894 5.561 1.00 0.00 C ATOM 336 N7 DG A 11 0.244 -6.691 4.293 1.00 0.00 N ATOM 337 C5 DG A 11 -1.040 -6.440 3.817 1.00 0.00 C ATOM 338 C6 DG A 11 -1.477 -6.147 2.497 1.00 0.00 C ATOM 339 O6 DG A 11 -0.801 -6.051 1.475 1.00 0.00 O ATOM 340 N1 DG A 11 -2.850 -5.959 2.444 1.00 0.00 N ATOM 341 C2 DG A 11 -3.703 -6.043 3.524 1.00 0.00 C ATOM 342 N2 DG A 11 -4.995 -5.827 3.272 1.00 0.00 N ATOM 343 N3 DG A 11 -3.298 -6.320 4.770 1.00 0.00 N ATOM 344 C4 DG A 11 -1.959 -6.506 4.841 1.00 0.00 C ATOM 0 H5' DG A 11 -5.472 -7.940 6.981 1.00 0.00 H new ATOM 0 H5'' DG A 11 -6.011 -7.167 8.458 1.00 0.00 H new ATOM 0 H4' DG A 11 -4.034 -8.142 9.065 1.00 0.00 H new ATOM 0 H3' DG A 11 -4.025 -5.412 9.273 1.00 0.00 H new ATOM 0 H2' DG A 11 -2.656 -4.962 7.298 1.00 0.00 H new ATOM 0 H2'' DG A 11 -1.411 -5.154 8.516 1.00 0.00 H new ATOM 0 H1' DG A 11 -0.956 -7.381 7.928 1.00 0.00 H new ATOM 0 H8 DG A 11 0.865 -7.119 6.238 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.261 -5.742 1.536 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.677 -5.875 4.029 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.301 -5.614 2.322 1.00 0.00 H new ATOM 356 P DG A 12 -2.190 -5.473 11.312 1.00 0.00 P ATOM 357 OP1 DG A 12 -1.846 -6.177 12.569 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.204 -4.397 11.321 1.00 0.00 O ATOM 359 O5' DG A 12 -0.832 -4.886 10.676 1.00 0.00 O ATOM 360 C5' DG A 12 0.323 -5.719 10.549 1.00 0.00 C ATOM 361 C4' DG A 12 1.347 -5.120 9.587 1.00 0.00 C ATOM 362 O4' DG A 12 0.855 -5.046 8.273 1.00 0.00 O ATOM 363 C3' DG A 12 1.761 -3.695 9.927 1.00 0.00 C ATOM 364 O3' DG A 12 2.877 -3.720 10.819 1.00 0.00 O ATOM 365 C2' DG A 12 2.184 -3.102 8.587 1.00 0.00 C ATOM 366 C1' DG A 12 1.676 -4.116 7.557 1.00 0.00 C ATOM 367 N9 DG A 12 0.859 -3.539 6.473 1.00 0.00 N ATOM 368 C8 DG A 12 -0.471 -3.228 6.468 1.00 0.00 C ATOM 369 N7 DG A 12 -0.915 -2.723 5.356 1.00 0.00 N ATOM 370 C5 DG A 12 0.218 -2.693 4.545 1.00 0.00 C ATOM 371 C6 DG A 12 0.366 -2.243 3.205 1.00 0.00 C ATOM 372 O6 DG A 12 -0.489 -1.767 2.462 1.00 0.00 O ATOM 373 N1 DG A 12 1.674 -2.389 2.761 1.00 0.00 N ATOM 374 C2 DG A 12 2.713 -2.904 3.509 1.00 0.00 C ATOM 375 N2 DG A 12 3.900 -2.968 2.907 1.00 0.00 N ATOM 376 N3 DG A 12 2.576 -3.326 4.770 1.00 0.00 N ATOM 377 C4 DG A 12 1.309 -3.193 5.222 1.00 0.00 C ATOM 0 H5' DG A 12 0.023 -6.705 10.194 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.781 -5.858 11.528 1.00 0.00 H new ATOM 0 H4' DG A 12 2.196 -5.797 9.680 1.00 0.00 H new ATOM 0 H3' DG A 12 0.967 -3.125 10.409 1.00 0.00 H new ATOM 0 H2' DG A 12 1.743 -2.118 8.429 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.266 -2.980 8.528 1.00 0.00 H new ATOM 0 H1' DG A 12 2.549 -4.559 7.077 1.00 0.00 H new ATOM 0 H8 DG A 12 -1.107 -3.390 7.326 1.00 0.00 H new ATOM 0 H1 DG A 12 1.883 -2.092 1.808 1.00 0.00 H new ATOM 0 H21 DG A 12 4.707 -3.339 3.409 1.00 0.00 H new ATOM 0 H22 DG A 12 4.002 -2.646 1.945 1.00 0.00 H new ATOM 389 P DG A 13 3.377 -2.368 11.534 1.00 0.00 P ATOM 390 OP1 DG A 13 4.229 -2.741 12.686 1.00 0.00 O ATOM 391 OP2 DG A 13 2.202 -1.490 11.739 1.00 0.00 O ATOM 392 O5' DG A 13 4.314 -1.704 10.406 1.00 0.00 O ATOM 393 C5' DG A 13 5.469 -2.401 9.929 1.00 0.00 C ATOM 394 C4' DG A 13 6.057 -1.747 8.681 1.00 0.00 C ATOM 395 O4' DG A 13 5.116 -1.714 7.641 1.00 0.00 O ATOM 396 C3' DG A 13 6.498 -0.303 8.878 1.00 0.00 C ATOM 397 O3' DG A 13 7.873 -0.271 9.269 1.00 0.00 O ATOM 398 C2' DG A 13 6.343 0.320 7.492 1.00 0.00 C ATOM 399 C1' DG A 13 5.521 -0.707 6.711 1.00 0.00 C ATOM 400 N9 DG A 13 4.307 -0.161 6.076 1.00 0.00 N ATOM 401 C8 DG A 13 3.051 -0.015 6.593 1.00 0.00 C ATOM 402 N7 DG A 13 2.179 0.510 5.785 1.00 0.00 N ATOM 403 C5 DG A 13 2.917 0.736 4.624 1.00 0.00 C ATOM 404 C6 DG A 13 2.513 1.297 3.381 1.00 0.00 C ATOM 405 O6 DG A 13 1.403 1.716 3.058 1.00 0.00 O ATOM 406 N1 DG A 13 3.567 1.344 2.478 1.00 0.00 N ATOM 407 C2 DG A 13 4.850 0.908 2.734 1.00 0.00 C ATOM 408 N2 DG A 13 5.728 1.030 1.738 1.00 0.00 N ATOM 409 N3 DG A 13 5.234 0.383 3.901 1.00 0.00 N ATOM 410 C4 DG A 13 4.221 0.328 4.795 1.00 0.00 C ATOM 0 H5' DG A 13 5.202 -3.434 9.706 1.00 0.00 H new ATOM 0 H5'' DG A 13 6.225 -2.430 10.714 1.00 0.00 H new ATOM 0 H4' DG A 13 6.926 -2.363 8.448 1.00 0.00 H new ATOM 0 H3' DG A 13 5.925 0.218 9.645 1.00 0.00 H new ATOM 0 H2' DG A 13 5.834 1.283 7.542 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.311 0.495 7.023 1.00 0.00 H new ATOM 0 H1' DG A 13 6.150 -1.080 5.903 1.00 0.00 H new ATOM 0 H8 DG A 13 2.801 -0.314 7.600 1.00 0.00 H new ATOM 0 H1 DG A 13 3.377 1.731 1.554 1.00 0.00 H new ATOM 0 H21 DG A 13 6.692 0.725 1.868 1.00 0.00 H new ATOM 0 H22 DG A 13 5.435 1.429 0.846 1.00 0.00 H new ATOM 422 P DG A 14 8.457 0.991 10.076 1.00 0.00 P ATOM 423 OP1 DG A 14 9.793 0.628 10.602 1.00 0.00 O ATOM 424 OP2 DG A 14 7.407 1.474 11.001 1.00 0.00 O ATOM 425 O5' DG A 14 8.655 2.090 8.915 1.00 0.00 O ATOM 426 C5' DG A 14 9.515 1.826 7.800 1.00 0.00 C ATOM 427 C4' DG A 14 9.192 2.725 6.611 1.00 0.00 C ATOM 428 O4' DG A 14 7.785 2.622 6.344 1.00 0.00 O ATOM 429 C3' DG A 14 9.523 4.196 6.848 1.00 0.00 C ATOM 430 O3' DG A 14 10.341 4.663 5.771 1.00 0.00 O ATOM 431 C2' DG A 14 8.195 4.943 6.828 1.00 0.00 C ATOM 432 C1' DG A 14 7.140 3.878 6.564 1.00 0.00 C ATOM 433 N9 DG A 14 6.190 3.698 7.672 1.00 0.00 N ATOM 434 C8 DG A 14 6.437 3.383 8.976 1.00 0.00 C ATOM 435 N7 DG A 14 5.383 3.287 9.729 1.00 0.00 N ATOM 436 C5 DG A 14 4.339 3.562 8.850 1.00 0.00 C ATOM 437 C6 DG A 14 2.939 3.607 9.086 1.00 0.00 C ATOM 438 O6 DG A 14 2.336 3.416 10.140 1.00 0.00 O ATOM 439 N1 DG A 14 2.238 3.918 7.927 1.00 0.00 N ATOM 440 C2 DG A 14 2.810 4.155 6.695 1.00 0.00 C ATOM 441 N2 DG A 14 1.971 4.431 5.697 1.00 0.00 N ATOM 442 N3 DG A 14 4.127 4.116 6.471 1.00 0.00 N ATOM 443 C4 DG A 14 4.826 3.814 7.588 1.00 0.00 C ATOM 0 H5' DG A 14 9.416 0.782 7.504 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.553 1.976 8.098 1.00 0.00 H new ATOM 0 H4' DG A 14 9.806 2.388 5.776 1.00 0.00 H new ATOM 0 H3' DG A 14 10.051 4.346 7.790 1.00 0.00 H new ATOM 0 H2' DG A 14 8.014 5.449 7.776 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.185 5.708 6.051 1.00 0.00 H new ATOM 0 H1' DG A 14 6.579 4.218 5.694 1.00 0.00 H new ATOM 0 H8 DG A 14 7.436 3.225 9.355 1.00 0.00 H new ATOM 0 H1 DG A 14 1.222 3.975 7.993 1.00 0.00 H new ATOM 0 H21 DG A 14 2.334 4.616 4.762 1.00 0.00 H new ATOM 0 H22 DG A 14 0.966 4.458 5.868 1.00 0.00 H new ATOM 455 P DC A 15 11.921 4.893 5.972 1.00 0.00 P ATOM 456 OP1 DC A 15 12.148 5.393 7.346 1.00 0.00 O ATOM 457 OP2 DC A 15 12.428 5.661 4.814 1.00 0.00 O ATOM 458 O5' DC A 15 12.506 3.397 5.876 1.00 0.00 O ATOM 459 C5' DC A 15 12.938 2.873 4.618 1.00 0.00 C ATOM 460 C4' DC A 15 13.637 1.527 4.783 1.00 0.00 C ATOM 461 O4' DC A 15 14.803 1.694 5.596 1.00 0.00 O ATOM 462 C3' DC A 15 12.773 0.463 5.445 1.00 0.00 C ATOM 463 O3' DC A 15 13.131 -0.827 4.943 1.00 0.00 O ATOM 464 C2' DC A 15 13.164 0.562 6.907 1.00 0.00 C ATOM 465 C1' DC A 15 14.622 0.999 6.836 1.00 0.00 C ATOM 466 N1 DC A 15 15.039 1.902 7.925 1.00 0.00 N ATOM 467 C2 DC A 15 15.506 1.318 9.090 1.00 0.00 C ATOM 468 O2 DC A 15 15.550 0.094 9.189 1.00 0.00 O ATOM 469 N3 DC A 15 15.904 2.131 10.105 1.00 0.00 N ATOM 470 C4 DC A 15 15.847 3.463 9.983 1.00 0.00 C ATOM 471 N4 DC A 15 16.247 4.228 10.999 1.00 0.00 N ATOM 472 C5 DC A 15 15.365 4.072 8.782 1.00 0.00 C ATOM 473 C6 DC A 15 14.972 3.259 7.782 1.00 0.00 C ATOM 0 H5' DC A 15 13.617 3.581 4.142 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.080 2.760 3.956 1.00 0.00 H new ATOM 0 H4' DC A 15 13.875 1.189 3.774 1.00 0.00 H new ATOM 0 H3' DC A 15 11.706 0.600 5.269 1.00 0.00 H new ATOM 0 H2' DC A 15 12.550 1.286 7.442 1.00 0.00 H new ATOM 0 H2'' DC A 15 13.052 -0.392 7.421 1.00 0.00 H new ATOM 0 H1' DC A 15 15.230 0.099 6.925 1.00 0.00 H new ATOM 0 H41 DC A 15 16.208 5.244 10.918 1.00 0.00 H new ATOM 0 H42 DC A 15 16.592 3.797 11.857 1.00 0.00 H new ATOM 0 H5 DC A 15 15.318 5.146 8.680 1.00 0.00 H new ATOM 0 H6 DC A 15 14.601 3.683 6.861 1.00 0.00 H new ATOM 485 P DG A 16 12.426 -1.417 3.623 1.00 0.00 P ATOM 486 OP1 DG A 16 12.735 -2.862 3.541 1.00 0.00 O ATOM 487 OP2 DG A 16 12.757 -0.526 2.487 1.00 0.00 O ATOM 488 O5' DG A 16 10.859 -1.253 3.957 1.00 0.00 O ATOM 489 C5' DG A 16 10.308 -1.805 5.159 1.00 0.00 C ATOM 490 C4' DG A 16 8.795 -1.621 5.224 1.00 0.00 C ATOM 491 O4' DG A 16 8.503 -0.219 5.165 1.00 0.00 O ATOM 492 C3' DG A 16 8.048 -2.304 4.086 1.00 0.00 C ATOM 493 O3' DG A 16 6.868 -2.932 4.602 1.00 0.00 O ATOM 494 C2' DG A 16 7.651 -1.181 3.132 1.00 0.00 C ATOM 495 C1' DG A 16 7.906 0.109 3.909 1.00 0.00 C ATOM 496 N9 DG A 16 8.813 1.046 3.222 1.00 0.00 N ATOM 497 C8 DG A 16 9.999 0.791 2.594 1.00 0.00 C ATOM 498 N7 DG A 16 10.575 1.825 2.061 1.00 0.00 N ATOM 499 C5 DG A 16 9.698 2.867 2.357 1.00 0.00 C ATOM 500 C6 DG A 16 9.785 4.248 2.036 1.00 0.00 C ATOM 501 O6 DG A 16 10.667 4.833 1.410 1.00 0.00 O ATOM 502 N1 DG A 16 8.694 4.955 2.526 1.00 0.00 N ATOM 503 C2 DG A 16 7.647 4.403 3.236 1.00 0.00 C ATOM 504 N2 DG A 16 6.693 5.247 3.631 1.00 0.00 N ATOM 505 N3 DG A 16 7.561 3.104 3.539 1.00 0.00 N ATOM 506 C4 DG A 16 8.617 2.399 3.070 1.00 0.00 C ATOM 0 H5' DG A 16 10.770 -1.328 6.023 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.548 -2.867 5.215 1.00 0.00 H new ATOM 0 H4' DG A 16 8.462 -2.079 6.155 1.00 0.00 H new ATOM 0 H3' DG A 16 8.653 -3.065 3.594 1.00 0.00 H new ATOM 0 H2' DG A 16 8.242 -1.214 2.217 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.605 -1.264 2.839 1.00 0.00 H new ATOM 0 H1' DG A 16 6.938 0.599 4.016 1.00 0.00 H new ATOM 0 H8 DG A 16 10.427 -0.199 2.545 1.00 0.00 H new ATOM 0 H1 DG A 16 8.665 5.959 2.347 1.00 0.00 H new ATOM 0 H21 DG A 16 5.892 4.901 4.160 1.00 0.00 H new ATOM 0 H22 DG A 16 6.764 6.239 3.404 1.00 0.00 H new ATOM 518 P DG A 17 6.855 -4.508 4.935 1.00 0.00 P ATOM 519 OP1 DG A 17 5.550 -4.842 5.546 1.00 0.00 O ATOM 520 OP2 DG A 17 8.112 -4.844 5.647 1.00 0.00 O ATOM 521 O5' DG A 17 6.903 -5.175 3.467 1.00 0.00 O ATOM 522 C5' DG A 17 7.658 -6.366 3.239 1.00 0.00 C ATOM 523 C4' DG A 17 8.052 -6.512 1.771 1.00 0.00 C ATOM 524 O4' DG A 17 6.973 -7.098 1.015 1.00 0.00 O ATOM 525 C3' DG A 17 8.424 -5.199 1.084 1.00 0.00 C ATOM 526 O3' DG A 17 9.852 -5.076 1.044 1.00 0.00 O ATOM 527 C2' DG A 17 7.877 -5.315 -0.341 1.00 0.00 C ATOM 528 C1' DG A 17 7.063 -6.612 -0.324 1.00 0.00 C ATOM 529 N9 DG A 17 5.694 -6.447 -0.832 1.00 0.00 N ATOM 530 C8 DG A 17 5.278 -6.335 -2.123 1.00 0.00 C ATOM 531 N7 DG A 17 3.998 -6.192 -2.282 1.00 0.00 N ATOM 532 C5 DG A 17 3.511 -6.210 -0.976 1.00 0.00 C ATOM 533 C6 DG A 17 2.177 -6.095 -0.500 1.00 0.00 C ATOM 534 O6 DG A 17 1.145 -5.952 -1.152 1.00 0.00 O ATOM 535 N1 DG A 17 2.122 -6.161 0.886 1.00 0.00 N ATOM 536 C2 DG A 17 3.213 -6.319 1.715 1.00 0.00 C ATOM 537 N2 DG A 17 2.960 -6.352 3.021 1.00 0.00 N ATOM 538 N3 DG A 17 4.471 -6.430 1.270 1.00 0.00 N ATOM 539 C4 DG A 17 4.544 -6.367 -0.079 1.00 0.00 C ATOM 0 H5' DG A 17 7.073 -7.233 3.547 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.556 -6.352 3.857 1.00 0.00 H new ATOM 0 H4' DG A 17 8.937 -7.148 1.786 1.00 0.00 H new ATOM 0 H3' DG A 17 8.020 -4.331 1.605 1.00 0.00 H new ATOM 0 H2' DG A 17 7.256 -4.458 -0.601 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.682 -5.359 -1.075 1.00 0.00 H new ATOM 0 H1' DG A 17 7.585 -7.309 -0.979 1.00 0.00 H new ATOM 0 H8 DG A 17 5.965 -6.363 -2.956 1.00 0.00 H new ATOM 0 H1 DG A 17 1.204 -6.087 1.325 1.00 0.00 H new ATOM 0 H21 DG A 17 3.725 -6.467 3.686 1.00 0.00 H new ATOM 0 H22 DG A 17 2.001 -6.263 3.357 1.00 0.00 H new ATOM 551 P DG A 18 10.560 -3.671 1.383 1.00 0.00 P ATOM 552 OP1 DG A 18 12.020 -3.832 1.206 1.00 0.00 O ATOM 553 OP2 DG A 18 10.023 -3.189 2.677 1.00 0.00 O ATOM 554 O5' DG A 18 10.008 -2.716 0.206 1.00 0.00 O ATOM 555 C5' DG A 18 10.446 -2.917 -1.143 1.00 0.00 C ATOM 556 C4' DG A 18 9.501 -2.276 -2.156 1.00 0.00 C ATOM 557 O4' DG A 18 8.223 -2.879 -2.079 1.00 0.00 O ATOM 558 C3' DG A 18 9.278 -0.796 -1.942 1.00 0.00 C ATOM 559 O3' DG A 18 10.289 -0.051 -2.624 1.00 0.00 O ATOM 560 C2' DG A 18 7.924 -0.564 -2.604 1.00 0.00 C ATOM 561 C1' DG A 18 7.256 -1.940 -2.573 1.00 0.00 C ATOM 562 N9 DG A 18 6.065 -1.995 -1.701 1.00 0.00 N ATOM 563 C8 DG A 18 5.986 -2.231 -0.359 1.00 0.00 C ATOM 564 N7 DG A 18 4.785 -2.185 0.141 1.00 0.00 N ATOM 565 C5 DG A 18 3.990 -1.892 -0.967 1.00 0.00 C ATOM 566 C6 DG A 18 2.581 -1.716 -1.059 1.00 0.00 C ATOM 567 O6 DG A 18 1.743 -1.781 -0.161 1.00 0.00 O ATOM 568 N1 DG A 18 2.187 -1.437 -2.361 1.00 0.00 N ATOM 569 C2 DG A 18 3.040 -1.339 -3.443 1.00 0.00 C ATOM 570 N2 DG A 18 2.477 -1.070 -4.619 1.00 0.00 N ATOM 571 N3 DG A 18 4.362 -1.502 -3.359 1.00 0.00 N ATOM 572 C4 DG A 18 4.767 -1.776 -2.098 1.00 0.00 C ATOM 0 H5' DG A 18 10.521 -3.986 -1.344 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.445 -2.499 -1.265 1.00 0.00 H new ATOM 0 H4' DG A 18 9.985 -2.425 -3.121 1.00 0.00 H new ATOM 0 H3' DG A 18 9.311 -0.492 -0.896 1.00 0.00 H new ATOM 0 H2' DG A 18 7.337 0.177 -2.062 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.036 -0.198 -3.624 1.00 0.00 H new ATOM 0 H1' DG A 18 6.920 -2.170 -3.584 1.00 0.00 H new ATOM 0 H8 DG A 18 6.857 -2.441 0.244 1.00 0.00 H new ATOM 0 H1 DG A 18 1.192 -1.293 -2.531 1.00 0.00 H new ATOM 0 H21 DG A 18 3.056 -0.986 -5.454 1.00 0.00 H new ATOM 0 H22 DG A 18 1.466 -0.948 -4.685 1.00 0.00 H new ATOM 584 P DG A 19 10.594 1.467 -2.198 1.00 0.00 P ATOM 585 OP1 DG A 19 11.873 1.875 -2.818 1.00 0.00 O ATOM 586 OP2 DG A 19 10.419 1.573 -0.730 1.00 0.00 O ATOM 587 O5' DG A 19 9.397 2.278 -2.915 1.00 0.00 O ATOM 588 C5' DG A 19 9.328 2.345 -4.343 1.00 0.00 C ATOM 589 C4' DG A 19 8.005 2.935 -4.830 1.00 0.00 C ATOM 590 O4' DG A 19 6.923 2.147 -4.359 1.00 0.00 O ATOM 591 C3' DG A 19 7.740 4.348 -4.359 1.00 0.00 C ATOM 592 O3' DG A 19 8.314 5.289 -5.271 1.00 0.00 O ATOM 593 C2' DG A 19 6.221 4.440 -4.410 1.00 0.00 C ATOM 594 C1' DG A 19 5.759 2.988 -4.276 1.00 0.00 C ATOM 595 N9 DG A 19 5.074 2.707 -3.001 1.00 0.00 N ATOM 596 C8 DG A 19 5.604 2.332 -1.800 1.00 0.00 C ATOM 597 N7 DG A 19 4.742 2.187 -0.837 1.00 0.00 N ATOM 598 C5 DG A 19 3.526 2.490 -1.449 1.00 0.00 C ATOM 599 C6 DG A 19 2.212 2.507 -0.906 1.00 0.00 C ATOM 600 O6 DG A 19 1.857 2.256 0.244 1.00 0.00 O ATOM 601 N1 DG A 19 1.271 2.864 -1.864 1.00 0.00 N ATOM 602 C2 DG A 19 1.556 3.168 -3.179 1.00 0.00 C ATOM 603 N2 DG A 19 0.518 3.483 -3.953 1.00 0.00 N ATOM 604 N3 DG A 19 2.790 3.156 -3.692 1.00 0.00 N ATOM 605 C4 DG A 19 3.721 2.809 -2.773 1.00 0.00 C ATOM 0 H5' DG A 19 9.453 1.345 -4.758 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.153 2.951 -4.717 1.00 0.00 H new ATOM 0 H4' DG A 19 8.086 2.943 -5.917 1.00 0.00 H new ATOM 0 H3' DG A 19 8.161 4.564 -3.377 1.00 0.00 H new ATOM 0 H2' DG A 19 5.831 5.059 -3.602 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.879 4.883 -5.345 1.00 0.00 H new ATOM 0 H1' DG A 19 5.042 2.795 -5.074 1.00 0.00 H new ATOM 0 H8 DG A 19 6.662 2.168 -1.660 1.00 0.00 H new ATOM 0 H1 DG A 19 0.294 2.904 -1.572 1.00 0.00 H new ATOM 0 H21 DG A 19 0.666 3.717 -4.935 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.425 3.490 -3.564 1.00 0.00 H new ATOM 617 P DT A 20 8.776 6.738 -4.743 1.00 0.00 P ATOM 618 OP1 DT A 20 9.387 7.476 -5.870 1.00 0.00 O ATOM 619 OP2 DT A 20 9.532 6.545 -3.487 1.00 0.00 O ATOM 620 O5' DT A 20 7.374 7.439 -4.382 1.00 0.00 O ATOM 621 C5' DT A 20 6.423 7.709 -5.411 1.00 0.00 C ATOM 622 C4' DT A 20 5.054 8.086 -4.842 1.00 0.00 C ATOM 623 O4' DT A 20 4.652 7.127 -3.841 1.00 0.00 O ATOM 624 C3' DT A 20 5.012 9.445 -4.158 1.00 0.00 C ATOM 625 O3' DT A 20 4.787 10.515 -5.086 1.00 0.00 O ATOM 626 C2' DT A 20 3.839 9.262 -3.211 1.00 0.00 C ATOM 627 C1' DT A 20 4.085 7.842 -2.732 1.00 0.00 C ATOM 628 N1 DT A 20 5.040 7.763 -1.617 1.00 0.00 N ATOM 629 C2 DT A 20 4.544 7.950 -0.344 1.00 0.00 C ATOM 630 O2 DT A 20 3.347 8.130 -0.128 1.00 0.00 O ATOM 631 N3 DT A 20 5.473 7.920 0.676 1.00 0.00 N ATOM 632 C4 DT A 20 6.835 7.719 0.532 1.00 0.00 C ATOM 633 O4 DT A 20 7.576 7.720 1.511 1.00 0.00 O ATOM 634 C5 DT A 20 7.259 7.530 -0.839 1.00 0.00 C ATOM 635 C7 DT A 20 8.736 7.310 -1.146 1.00 0.00 C ATOM 636 C6 DT A 20 6.370 7.555 -1.849 1.00 0.00 C ATOM 0 H5' DT A 20 6.321 6.832 -6.050 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.790 8.520 -6.040 1.00 0.00 H new ATOM 0 H4' DT A 20 4.393 8.106 -5.708 1.00 0.00 H new ATOM 0 H3' DT A 20 5.946 9.722 -3.668 1.00 0.00 H new ATOM 0 H2' DT A 20 3.851 9.983 -2.393 1.00 0.00 H new ATOM 0 H2'' DT A 20 2.879 9.368 -3.716 1.00 0.00 H new ATOM 0 HO3' DT A 20 4.766 11.368 -4.603 1.00 0.00 H new ATOM 0 H1' DT A 20 3.139 7.431 -2.379 1.00 0.00 H new ATOM 0 H3 DT A 20 5.124 8.059 1.624 1.00 0.00 H new ATOM 0 H71 DT A 20 9.343 7.825 -0.402 1.00 0.00 H new ATOM 0 H72 DT A 20 8.958 6.243 -1.120 1.00 0.00 H new ATOM 0 H73 DT A 20 8.964 7.704 -2.136 1.00 0.00 H new ATOM 0 H6 DT A 20 6.715 7.408 -2.862 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.653 5.769 0.970 1.00 0.00 C HETATM 652 C2 BER A 101 -1.969 5.968 0.566 1.00 0.00 C HETATM 653 N1 BER A 101 -0.387 5.557 2.266 1.00 0.00 N HETATM 654 C3 BER A 101 0.369 5.790 0.028 1.00 0.00 C HETATM 655 C4 BER A 101 -2.989 5.993 1.505 1.00 0.00 C HETATM 656 C5 BER A 101 -2.282 6.224 -0.763 1.00 0.00 C HETATM 657 C6 BER A 101 0.931 5.334 2.687 1.00 0.00 C HETATM 658 C7 BER A 101 -1.487 5.184 3.187 1.00 0.00 C HETATM 659 C8 BER A 101 1.683 5.573 0.419 1.00 0.00 C HETATM 660 C9 BER A 101 -4.274 6.283 1.060 1.00 0.00 C HETATM 661 C10 BER A 101 -2.688 6.077 2.861 1.00 0.00 C HETATM 662 C11 BER A 101 -3.529 6.514 -1.123 1.00 0.00 C HETATM 663 C12 BER A 101 1.965 5.326 1.757 1.00 0.00 C HETATM 664 C13 BER A 101 2.682 5.473 -0.541 1.00 0.00 C HETATM 665 C14 BER A 101 -4.511 6.546 -0.224 1.00 0.00 C HETATM 666 O1 BER A 101 -3.996 6.831 -2.360 1.00 0.00 O HETATM 667 C15 BER A 101 3.262 5.007 2.144 1.00 0.00 C HETATM 668 C16 BER A 101 3.981 5.161 -0.161 1.00 0.00 C HETATM 669 O2 BER A 101 -5.691 6.877 -0.812 1.00 0.00 O HETATM 670 C17 BER A 101 -5.426 6.812 -2.222 1.00 0.00 C HETATM 671 C18 BER A 101 4.263 4.938 1.182 1.00 0.00 C HETATM 672 O3 BER A 101 3.554 4.781 3.454 1.00 0.00 O HETATM 673 O4 BER A 101 5.530 4.725 1.628 1.00 0.00 O HETATM 674 C19 BER A 101 3.853 6.020 4.105 1.00 0.00 C HETATM 675 C20 BER A 101 6.418 4.617 0.513 1.00 0.00 C HETATM 0 H203 BER A 101 6.111 3.783 -0.117 1.00 0.00 H new HETATM 0 H202 BER A 101 6.388 5.540 -0.067 1.00 0.00 H new HETATM 0 H201 BER A 101 7.433 4.446 0.872 1.00 0.00 H new HETATM 0 H193 BER A 101 4.710 6.488 3.621 1.00 0.00 H new HETATM 0 H192 BER A 101 2.991 6.684 4.038 1.00 0.00 H new HETATM 0 H191 BER A 101 4.086 5.833 5.153 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.879 7.655 -2.743 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.847 5.905 -2.656 1.00 0.00 H new HETATM 0 H161 BER A 101 4.771 5.092 -0.908 1.00 0.00 H new HETATM 0 H131 BER A 101 2.447 5.639 -1.592 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.467 7.110 3.130 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.551 5.771 3.453 1.00 0.00 H new HETATM 0 H91 BER A 101 -5.099 6.295 1.772 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.748 4.133 3.066 1.00 0.00 H new HETATM 0 H71 BER A 101 -1.180 5.319 4.224 1.00 0.00 H new HETATM 0 H61 BER A 101 1.146 5.167 3.743 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.497 6.187 -1.519 1.00 0.00 H new HETATM 0 H31 BER A 101 0.138 5.977 -1.021 1.00 0.00 H new