USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 30:sc= 0.0818 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.781 (180deg=-2.25!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 35:sc= 0.0636 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.37 (180deg=-0.905) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.741 (180deg=-2.34!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.123 -8.665 -1.422 1.00 0.00 O ATOM 2 C5' DG A 1 2.457 -9.097 -1.606 1.00 0.00 C ATOM 3 C4' DG A 1 3.431 -8.143 -0.904 1.00 0.00 C ATOM 4 O4' DG A 1 3.125 -6.797 -1.270 1.00 0.00 O ATOM 5 C3' DG A 1 3.387 -8.242 0.627 1.00 0.00 C ATOM 6 O3' DG A 1 4.714 -8.374 1.106 1.00 0.00 O ATOM 7 C2' DG A 1 2.745 -6.930 1.009 1.00 0.00 C ATOM 8 C1' DG A 1 3.190 -5.996 -0.100 1.00 0.00 C ATOM 9 N9 DG A 1 2.294 -4.822 -0.187 1.00 0.00 N ATOM 10 C8 DG A 1 0.929 -4.801 -0.314 1.00 0.00 C ATOM 11 N7 DG A 1 0.412 -3.608 -0.387 1.00 0.00 N ATOM 12 C5 DG A 1 1.513 -2.762 -0.235 1.00 0.00 C ATOM 13 C6 DG A 1 1.615 -1.328 -0.203 1.00 0.00 C ATOM 14 O6 DG A 1 0.743 -0.475 -0.361 1.00 0.00 O ATOM 15 N1 DG A 1 2.903 -0.883 0.024 1.00 0.00 N ATOM 16 C2 DG A 1 3.980 -1.702 0.191 1.00 0.00 C ATOM 17 N2 DG A 1 5.135 -1.136 0.436 1.00 0.00 N ATOM 18 N3 DG A 1 3.928 -3.033 0.141 1.00 0.00 N ATOM 19 C4 DG A 1 2.666 -3.504 -0.076 1.00 0.00 C ATOM 0 H5' DG A 1 2.687 -9.143 -2.670 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.577 -10.105 -1.210 1.00 0.00 H new ATOM 0 H4' DG A 1 4.431 -8.434 -1.227 1.00 0.00 H new ATOM 0 H3' DG A 1 2.841 -9.091 1.038 1.00 0.00 H new ATOM 0 H2' DG A 1 1.659 -7.011 1.057 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.082 -6.585 1.986 1.00 0.00 H new ATOM 0 HO5' DG A 1 1.104 -7.689 -1.335 1.00 0.00 H new ATOM 0 H1' DG A 1 4.188 -5.588 0.060 1.00 0.00 H new ATOM 0 H8 DG A 1 0.332 -5.700 -0.350 1.00 0.00 H new ATOM 0 H1 DG A 1 3.058 0.124 0.070 1.00 0.00 H new ATOM 0 H21 DG A 1 5.967 -1.711 0.568 1.00 0.00 H new ATOM 0 H22 DG A 1 5.203 -0.120 0.495 1.00 0.00 H new ATOM 32 P DT A 2 5.062 -8.585 2.669 1.00 0.00 P ATOM 33 OP1 DT A 2 6.098 -9.633 2.767 1.00 0.00 O ATOM 34 OP2 DT A 2 3.793 -8.713 3.420 1.00 0.00 O ATOM 35 O5' DT A 2 5.725 -7.166 3.044 1.00 0.00 O ATOM 36 C5' DT A 2 6.964 -6.777 2.470 1.00 0.00 C ATOM 37 C4' DT A 2 7.494 -5.451 3.031 1.00 0.00 C ATOM 38 O4' DT A 2 6.594 -4.397 2.712 1.00 0.00 O ATOM 39 C3' DT A 2 7.697 -5.464 4.550 1.00 0.00 C ATOM 40 O3' DT A 2 8.884 -4.750 4.857 1.00 0.00 O ATOM 41 C2' DT A 2 6.442 -4.766 5.045 1.00 0.00 C ATOM 42 C1' DT A 2 6.173 -3.772 3.913 1.00 0.00 C ATOM 43 N1 DT A 2 4.748 -3.363 3.781 1.00 0.00 N ATOM 44 C2 DT A 2 4.469 -1.998 3.655 1.00 0.00 C ATOM 45 O2 DT A 2 5.322 -1.117 3.712 1.00 0.00 O ATOM 46 N3 DT A 2 3.153 -1.654 3.438 1.00 0.00 N ATOM 47 C4 DT A 2 2.095 -2.531 3.340 1.00 0.00 C ATOM 48 O4 DT A 2 0.982 -2.080 3.090 1.00 0.00 O ATOM 49 C5 DT A 2 2.440 -3.937 3.534 1.00 0.00 C ATOM 50 C7 DT A 2 1.358 -5.007 3.503 1.00 0.00 C ATOM 51 C6 DT A 2 3.734 -4.302 3.734 1.00 0.00 C ATOM 0 H5' DT A 2 6.846 -6.687 1.390 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.701 -7.560 2.646 1.00 0.00 H new ATOM 0 H4' DT A 2 8.469 -5.299 2.568 1.00 0.00 H new ATOM 0 H3' DT A 2 7.821 -6.447 5.004 1.00 0.00 H new ATOM 0 H2' DT A 2 5.615 -5.462 5.184 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.602 -4.265 6.000 1.00 0.00 H new ATOM 0 H1' DT A 2 6.718 -2.854 4.134 1.00 0.00 H new ATOM 0 H3 DT A 2 2.943 -0.661 3.341 1.00 0.00 H new ATOM 0 H71 DT A 2 0.417 -4.583 3.854 1.00 0.00 H new ATOM 0 H72 DT A 2 1.234 -5.370 2.483 1.00 0.00 H new ATOM 0 H73 DT A 2 1.647 -5.835 4.150 1.00 0.00 H new ATOM 0 H6 DT A 2 3.975 -5.347 3.859 1.00 0.00 H new ATOM 64 P DA A 3 9.493 -4.695 6.351 1.00 0.00 P ATOM 65 OP1 DA A 3 10.952 -4.485 6.240 1.00 0.00 O ATOM 66 OP2 DA A 3 8.965 -5.848 7.111 1.00 0.00 O ATOM 67 O5' DA A 3 8.829 -3.348 6.939 1.00 0.00 O ATOM 68 C5' DA A 3 9.269 -2.077 6.493 1.00 0.00 C ATOM 69 C4' DA A 3 8.573 -0.911 7.205 1.00 0.00 C ATOM 70 O4' DA A 3 7.247 -0.764 6.716 1.00 0.00 O ATOM 71 C3' DA A 3 8.507 -1.050 8.734 1.00 0.00 C ATOM 72 O3' DA A 3 9.005 0.160 9.281 1.00 0.00 O ATOM 73 C2' DA A 3 7.010 -1.248 8.977 1.00 0.00 C ATOM 74 C1' DA A 3 6.391 -0.487 7.807 1.00 0.00 C ATOM 75 N9 DA A 3 5.018 -0.919 7.452 1.00 0.00 N ATOM 76 C8 DA A 3 4.521 -2.194 7.328 1.00 0.00 C ATOM 77 N7 DA A 3 3.289 -2.257 6.899 1.00 0.00 N ATOM 78 C5 DA A 3 2.931 -0.909 6.770 1.00 0.00 C ATOM 79 C6 DA A 3 1.756 -0.229 6.375 1.00 0.00 C ATOM 80 N6 DA A 3 0.654 -0.838 5.967 1.00 0.00 N ATOM 81 N1 DA A 3 1.698 1.109 6.396 1.00 0.00 N ATOM 82 C2 DA A 3 2.789 1.769 6.773 1.00 0.00 C ATOM 83 N3 DA A 3 3.970 1.270 7.129 1.00 0.00 N ATOM 84 C4 DA A 3 3.973 -0.090 7.114 1.00 0.00 C ATOM 0 H5' DA A 3 9.094 -1.995 5.420 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.345 -1.998 6.647 1.00 0.00 H new ATOM 0 H4' DA A 3 9.185 -0.036 6.987 1.00 0.00 H new ATOM 0 H3' DA A 3 9.087 -1.858 9.181 1.00 0.00 H new ATOM 0 H2' DA A 3 6.732 -2.302 8.970 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.696 -0.842 9.939 1.00 0.00 H new ATOM 0 H1' DA A 3 6.301 0.567 8.069 1.00 0.00 H new ATOM 0 H8 DA A 3 5.102 -3.073 7.566 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.161 -0.289 5.695 1.00 0.00 H new ATOM 0 H62 DA A 3 0.620 -1.857 5.924 1.00 0.00 H new ATOM 0 H2 DA A 3 2.706 2.846 6.793 1.00 0.00 H new ATOM 96 P DC A 4 9.165 0.422 10.867 1.00 0.00 P ATOM 97 OP1 DC A 4 10.477 1.064 11.099 1.00 0.00 O ATOM 98 OP2 DC A 4 8.791 -0.805 11.604 1.00 0.00 O ATOM 99 O5' DC A 4 8.013 1.522 11.078 1.00 0.00 O ATOM 100 C5' DC A 4 8.097 2.773 10.412 1.00 0.00 C ATOM 101 C4' DC A 4 6.778 3.544 10.477 1.00 0.00 C ATOM 102 O4' DC A 4 5.740 2.725 9.957 1.00 0.00 O ATOM 103 C3' DC A 4 6.392 3.986 11.894 1.00 0.00 C ATOM 104 O3' DC A 4 6.031 5.360 11.861 1.00 0.00 O ATOM 105 C2' DC A 4 5.198 3.097 12.211 1.00 0.00 C ATOM 106 C1' DC A 4 4.629 2.831 10.818 1.00 0.00 C ATOM 107 N1 DC A 4 3.782 1.612 10.695 1.00 0.00 N ATOM 108 C2 DC A 4 2.570 1.725 10.012 1.00 0.00 C ATOM 109 O2 DC A 4 2.148 2.810 9.623 1.00 0.00 O ATOM 110 N3 DC A 4 1.810 0.626 9.777 1.00 0.00 N ATOM 111 C4 DC A 4 2.190 -0.539 10.260 1.00 0.00 C ATOM 112 N4 DC A 4 1.442 -1.564 9.941 1.00 0.00 N ATOM 113 C5 DC A 4 3.347 -0.693 11.075 1.00 0.00 C ATOM 114 C6 DC A 4 4.145 0.397 11.232 1.00 0.00 C ATOM 0 H5' DC A 4 8.372 2.611 9.370 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.890 3.371 10.862 1.00 0.00 H new ATOM 0 H4' DC A 4 6.915 4.450 9.887 1.00 0.00 H new ATOM 0 H3' DC A 4 7.184 3.891 12.637 1.00 0.00 H new ATOM 0 H2' DC A 4 5.495 2.177 12.714 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.477 3.596 12.859 1.00 0.00 H new ATOM 0 H1' DC A 4 3.955 3.651 10.569 1.00 0.00 H new ATOM 0 H41 DC A 4 1.680 -2.495 10.282 1.00 0.00 H new ATOM 0 H42 DC A 4 0.620 -1.432 9.351 1.00 0.00 H new ATOM 0 H5 DC A 4 3.581 -1.635 11.548 1.00 0.00 H new ATOM 0 H6 DC A 4 5.070 0.309 11.782 1.00 0.00 H new HETATM 126 P NCX A 5 5.941 6.255 13.204 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.059 7.676 12.809 1.00 0.00 O HETATM 128 OP2 NCX A 5 6.877 5.690 14.199 1.00 0.00 O HETATM 129 O5' NCX A 5 4.437 6.003 13.732 1.00 0.00 O HETATM 130 C5' NCX A 5 3.323 6.649 13.133 1.00 0.00 C HETATM 131 C4' NCX A 5 2.020 6.442 13.923 1.00 0.00 C HETATM 132 O4' NCX A 5 1.435 5.178 13.627 1.00 0.00 O HETATM 133 C1' NCX A 5 1.137 4.524 14.851 1.00 0.00 C HETATM 134 N9 NCX A 5 1.129 3.061 14.638 1.00 0.00 N HETATM 135 C8 NCX A 5 2.151 2.141 14.887 1.00 0.00 C HETATM 136 C7 NCX A 5 1.682 0.857 14.658 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.530 -0.348 14.725 1.00 0.00 C HETATM 138 O7 NCX A 5 3.662 -0.401 15.143 1.00 0.00 O HETATM 139 NH7 NCX A 5 2.019 -1.473 14.225 1.00 0.00 N HETATM 140 C5 NCX A 5 0.286 1.012 14.429 1.00 0.00 C HETATM 141 C4 NCX A 5 0.015 2.344 14.365 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.276 2.813 14.122 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.317 1.882 14.121 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.061 0.513 14.324 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.184 -0.457 14.476 1.00 0.00 N HETATM 146 O11 NCX A 5 -4.316 -0.010 14.552 1.00 0.00 O HETATM 147 O12 NCX A 5 -2.897 -1.643 14.478 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.730 0.071 14.409 1.00 0.00 C HETATM 149 C3' NCX A 5 2.206 6.518 15.446 1.00 0.00 C HETATM 150 C2' NCX A 5 2.182 5.045 15.833 1.00 0.00 C HETATM 151 O3' NCX A 5 1.095 7.222 15.972 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.564 -2.335 14.247 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.083 -1.472 13.821 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.528 7.716 13.052 1.00 0.00 H new HETATM 0 H2'' NCX A 5 1.889 4.893 16.872 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.160 2.394 15.211 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.501 -0.994 14.458 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.192 6.272 12.119 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.372 7.260 13.609 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.103 7.024 15.802 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.466 3.871 13.939 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.152 4.565 15.702 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.341 2.220 13.961 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.146 4.733 15.255 1.00 0.00 H new ATOM 165 P DA A 6 1.078 7.877 17.444 1.00 0.00 P ATOM 166 OP1 DA A 6 1.301 9.332 17.321 1.00 0.00 O ATOM 167 OP2 DA A 6 1.908 7.059 18.353 1.00 0.00 O ATOM 168 O5' DA A 6 -0.457 7.617 17.833 1.00 0.00 O ATOM 169 C5' DA A 6 -1.512 8.163 17.060 1.00 0.00 C ATOM 170 C4' DA A 6 -2.843 7.457 17.346 1.00 0.00 C ATOM 171 O4' DA A 6 -2.733 6.074 17.040 1.00 0.00 O ATOM 172 C3' DA A 6 -3.327 7.588 18.788 1.00 0.00 C ATOM 173 O3' DA A 6 -4.746 7.666 18.739 1.00 0.00 O ATOM 174 C2' DA A 6 -2.790 6.305 19.412 1.00 0.00 C ATOM 175 C1' DA A 6 -2.818 5.322 18.238 1.00 0.00 C ATOM 176 N9 DA A 6 -1.738 4.301 18.245 1.00 0.00 N ATOM 177 C8 DA A 6 -0.387 4.417 18.499 1.00 0.00 C ATOM 178 N7 DA A 6 0.262 3.280 18.466 1.00 0.00 N ATOM 179 C5 DA A 6 -0.725 2.350 18.124 1.00 0.00 C ATOM 180 C6 DA A 6 -0.748 0.952 17.898 1.00 0.00 C ATOM 181 N6 DA A 6 0.307 0.156 18.002 1.00 0.00 N ATOM 182 N1 DA A 6 -1.882 0.344 17.528 1.00 0.00 N ATOM 183 C2 DA A 6 -2.976 1.093 17.396 1.00 0.00 C ATOM 184 N3 DA A 6 -3.107 2.396 17.596 1.00 0.00 N ATOM 185 C4 DA A 6 -1.934 2.973 17.962 1.00 0.00 C ATOM 0 H5' DA A 6 -1.272 8.074 16.001 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.610 9.227 17.276 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.576 7.956 16.713 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.999 8.458 19.356 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.782 6.437 19.805 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.413 5.965 20.239 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.748 4.761 18.324 1.00 0.00 H new ATOM 0 H8 DA A 6 0.093 5.362 18.707 1.00 0.00 H new ATOM 0 H61 DA A 6 0.211 -0.844 17.823 1.00 0.00 H new ATOM 0 H62 DA A 6 1.214 0.543 18.261 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.870 0.571 17.087 1.00 0.00 H new ATOM 197 P DC A 7 -5.657 7.950 20.039 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.904 8.610 19.599 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.809 8.575 21.077 1.00 0.00 O ATOM 200 O5' DC A 7 -6.015 6.457 20.509 1.00 0.00 O ATOM 201 C5' DC A 7 -6.914 5.635 19.776 1.00 0.00 C ATOM 202 C4' DC A 7 -6.883 4.184 20.284 1.00 0.00 C ATOM 203 O4' DC A 7 -5.628 3.618 19.918 1.00 0.00 O ATOM 204 C3' DC A 7 -7.051 4.096 21.821 1.00 0.00 C ATOM 205 O3' DC A 7 -7.531 2.869 22.331 1.00 0.00 O ATOM 206 C2' DC A 7 -5.586 3.897 22.195 1.00 0.00 C ATOM 207 C1' DC A 7 -5.199 2.928 21.060 1.00 0.00 C ATOM 208 N1 DC A 7 -3.775 2.515 21.040 1.00 0.00 N ATOM 209 C2 DC A 7 -3.468 1.170 20.796 1.00 0.00 C ATOM 210 O2 DC A 7 -4.321 0.363 20.431 1.00 0.00 O ATOM 211 N3 DC A 7 -2.204 0.713 20.980 1.00 0.00 N ATOM 212 C4 DC A 7 -1.280 1.542 21.431 1.00 0.00 C ATOM 213 N4 DC A 7 -0.076 1.049 21.580 1.00 0.00 N ATOM 214 C5 DC A 7 -1.548 2.913 21.711 1.00 0.00 C ATOM 215 C6 DC A 7 -2.800 3.367 21.479 1.00 0.00 C ATOM 0 H5' DC A 7 -6.652 5.658 18.718 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.926 6.031 19.862 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.716 3.642 19.836 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.686 4.916 22.157 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.013 4.824 22.175 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.456 3.463 23.186 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.667 1.950 21.167 1.00 0.00 H new ATOM 0 H41 DC A 7 0.679 1.642 21.925 1.00 0.00 H new ATOM 0 H42 DC A 7 0.107 0.072 21.351 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.778 3.566 22.095 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.032 4.409 21.641 1.00 0.00 H new ATOM 227 P DG A 8 -8.466 2.748 23.620 1.00 0.00 P ATOM 228 OP1 DG A 8 -9.531 3.767 23.530 1.00 0.00 O ATOM 229 OP2 DG A 8 -7.605 2.646 24.816 1.00 0.00 O ATOM 230 O5' DG A 8 -9.109 1.303 23.339 1.00 0.00 O ATOM 231 C5' DG A 8 -9.272 0.724 22.052 1.00 0.00 C ATOM 232 C4' DG A 8 -9.109 -0.804 22.163 1.00 0.00 C ATOM 233 O4' DG A 8 -7.721 -1.083 21.991 1.00 0.00 O ATOM 234 C3' DG A 8 -9.521 -1.406 23.519 1.00 0.00 C ATOM 235 O3' DG A 8 -10.023 -2.723 23.361 1.00 0.00 O ATOM 236 C2' DG A 8 -8.201 -1.430 24.288 1.00 0.00 C ATOM 237 C1' DG A 8 -7.188 -1.665 23.170 1.00 0.00 C ATOM 238 N9 DG A 8 -5.836 -1.137 23.483 1.00 0.00 N ATOM 239 C8 DG A 8 -5.425 0.145 23.778 1.00 0.00 C ATOM 240 N7 DG A 8 -4.144 0.260 23.996 1.00 0.00 N ATOM 241 C5 DG A 8 -3.667 -1.047 23.883 1.00 0.00 C ATOM 242 C6 DG A 8 -2.350 -1.594 24.058 1.00 0.00 C ATOM 243 O6 DG A 8 -1.287 -1.027 24.306 1.00 0.00 O ATOM 244 N1 DG A 8 -2.316 -2.971 23.946 1.00 0.00 N ATOM 245 C2 DG A 8 -3.403 -3.747 23.677 1.00 0.00 C ATOM 246 N2 DG A 8 -3.208 -5.043 23.615 1.00 0.00 N ATOM 247 N3 DG A 8 -4.637 -3.274 23.495 1.00 0.00 N ATOM 248 C4 DG A 8 -4.705 -1.911 23.607 1.00 0.00 C ATOM 0 H5' DG A 8 -8.535 1.132 21.360 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.255 0.969 21.651 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.764 -1.246 21.412 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.311 -0.843 24.016 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.018 -0.493 24.814 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.177 -2.224 25.034 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.276 -3.084 24.236 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.038 -2.737 23.039 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.105 0.983 23.825 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.418 -3.437 24.073 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.990 -5.667 23.416 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.275 -5.426 23.765 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.654 -8.543 25.870 1.00 0.00 O ATOM 263 C5' DC B 9 3.668 -9.508 26.180 1.00 0.00 C ATOM 264 C4' DC B 9 2.405 -9.268 25.343 1.00 0.00 C ATOM 265 O4' DC B 9 2.013 -7.902 25.455 1.00 0.00 O ATOM 266 C3' DC B 9 2.578 -9.567 23.848 1.00 0.00 C ATOM 267 O3' DC B 9 1.453 -10.330 23.440 1.00 0.00 O ATOM 268 C2' DC B 9 2.603 -8.174 23.235 1.00 0.00 C ATOM 269 C1' DC B 9 1.621 -7.465 24.164 1.00 0.00 C ATOM 270 N1 DC B 9 1.613 -5.974 24.099 1.00 0.00 N ATOM 271 C2 DC B 9 0.376 -5.319 24.171 1.00 0.00 C ATOM 272 O2 DC B 9 -0.687 -5.938 24.205 1.00 0.00 O ATOM 273 N3 DC B 9 0.318 -3.964 24.201 1.00 0.00 N ATOM 274 C4 DC B 9 1.436 -3.266 24.104 1.00 0.00 C ATOM 275 N4 DC B 9 1.311 -1.963 24.136 1.00 0.00 N ATOM 276 C5 DC B 9 2.723 -3.875 24.015 1.00 0.00 C ATOM 277 C6 DC B 9 2.771 -5.231 24.019 1.00 0.00 C ATOM 0 H5' DC B 9 3.424 -9.460 27.241 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.055 -10.508 25.987 1.00 0.00 H new ATOM 0 H4' DC B 9 1.657 -9.955 25.739 1.00 0.00 H new ATOM 0 H3' DC B 9 3.463 -10.137 23.565 1.00 0.00 H new ATOM 0 H2' DC B 9 3.596 -7.726 23.257 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.273 -8.169 22.196 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.223 -7.684 25.681 1.00 0.00 H new ATOM 0 H1' DC B 9 0.601 -7.718 23.876 1.00 0.00 H new ATOM 0 H41 DC B 9 2.138 -1.369 24.065 1.00 0.00 H new ATOM 0 H42 DC B 9 0.387 -1.542 24.231 1.00 0.00 H new ATOM 0 H5 DC B 9 3.622 -3.281 23.947 1.00 0.00 H new ATOM 0 H6 DC B 9 3.725 -5.733 23.959 1.00 0.00 H new ATOM 290 P DG B 10 1.295 -10.915 21.947 1.00 0.00 P ATOM 291 OP1 DG B 10 0.804 -12.306 22.057 1.00 0.00 O ATOM 292 OP2 DG B 10 2.530 -10.618 21.192 1.00 0.00 O ATOM 293 O5' DG B 10 0.104 -9.988 21.378 1.00 0.00 O ATOM 294 C5' DG B 10 -1.228 -10.160 21.845 1.00 0.00 C ATOM 295 C4' DG B 10 -2.258 -9.333 21.062 1.00 0.00 C ATOM 296 O4' DG B 10 -2.157 -7.968 21.447 1.00 0.00 O ATOM 297 C3' DG B 10 -2.099 -9.427 19.538 1.00 0.00 C ATOM 298 O3' DG B 10 -3.374 -9.562 18.929 1.00 0.00 O ATOM 299 C2' DG B 10 -1.450 -8.094 19.214 1.00 0.00 C ATOM 300 C1' DG B 10 -2.051 -7.180 20.278 1.00 0.00 C ATOM 301 N9 DG B 10 -1.191 -6.008 20.545 1.00 0.00 N ATOM 302 C8 DG B 10 0.157 -5.984 20.796 1.00 0.00 C ATOM 303 N7 DG B 10 0.651 -4.789 20.965 1.00 0.00 N ATOM 304 C5 DG B 10 -0.459 -3.948 20.815 1.00 0.00 C ATOM 305 C6 DG B 10 -0.593 -2.517 20.885 1.00 0.00 C ATOM 306 O6 DG B 10 0.259 -1.656 21.102 1.00 0.00 O ATOM 307 N1 DG B 10 -1.890 -2.083 20.682 1.00 0.00 N ATOM 308 C2 DG B 10 -2.944 -2.907 20.430 1.00 0.00 C ATOM 309 N2 DG B 10 -4.116 -2.348 20.250 1.00 0.00 N ATOM 310 N3 DG B 10 -2.856 -4.233 20.336 1.00 0.00 N ATOM 311 C4 DG B 10 -1.588 -4.694 20.551 1.00 0.00 C ATOM 0 H5' DG B 10 -1.275 -9.883 22.898 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.495 -11.215 21.781 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.235 -9.749 21.307 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.519 -10.280 19.184 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.363 -8.142 19.284 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.690 -7.758 18.205 1.00 0.00 H new ATOM 0 H1' DG B 10 -3.014 -6.792 19.946 1.00 0.00 H new ATOM 0 H8 DG B 10 0.759 -6.879 20.849 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.069 -1.080 20.724 1.00 0.00 H new ATOM 0 H21 DG B 10 -4.933 -2.927 20.059 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.210 -1.334 20.301 1.00 0.00 H new ATOM 323 P DT B 11 -3.547 -9.839 17.343 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.558 -10.906 17.175 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.204 -9.990 16.742 1.00 0.00 O ATOM 326 O5' DT B 11 -4.175 -8.451 16.812 1.00 0.00 O ATOM 327 C5' DT B 11 -5.539 -8.141 17.051 1.00 0.00 C ATOM 328 C4' DT B 11 -5.957 -6.796 16.444 1.00 0.00 C ATOM 329 O4' DT B 11 -5.267 -5.782 17.161 1.00 0.00 O ATOM 330 C3' DT B 11 -5.704 -6.674 14.947 1.00 0.00 C ATOM 331 O3' DT B 11 -6.920 -6.281 14.327 1.00 0.00 O ATOM 332 C2' DT B 11 -4.707 -5.539 14.894 1.00 0.00 C ATOM 333 C1' DT B 11 -4.762 -4.841 16.248 1.00 0.00 C ATOM 334 N1 DT B 11 -3.443 -4.332 16.704 1.00 0.00 N ATOM 335 C2 DT B 11 -3.359 -2.986 17.067 1.00 0.00 C ATOM 336 O2 DT B 11 -4.329 -2.237 17.145 1.00 0.00 O ATOM 337 N3 DT B 11 -2.100 -2.501 17.339 1.00 0.00 N ATOM 338 C4 DT B 11 -0.931 -3.231 17.338 1.00 0.00 C ATOM 339 O4 DT B 11 0.116 -2.639 17.593 1.00 0.00 O ATOM 340 C5 DT B 11 -1.096 -4.655 17.034 1.00 0.00 C ATOM 341 C7 DT B 11 0.096 -5.605 17.067 1.00 0.00 C ATOM 342 C6 DT B 11 -2.328 -5.147 16.726 1.00 0.00 C ATOM 0 H5' DT B 11 -5.720 -8.121 18.126 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.165 -8.932 16.637 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.038 -6.699 16.540 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.356 -7.583 14.456 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.704 -5.915 14.693 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.954 -4.845 14.091 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.397 -3.958 16.171 1.00 0.00 H new ATOM 0 H3 DT B 11 -2.025 -1.509 17.562 1.00 0.00 H new ATOM 0 H71 DT B 11 1.003 -5.060 16.805 1.00 0.00 H new ATOM 0 H72 DT B 11 0.200 -6.023 18.068 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.062 -6.412 16.352 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.435 -6.196 16.494 1.00 0.00 H new ATOM 355 P DT B 12 -7.140 -6.320 12.726 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.550 -6.683 12.469 1.00 0.00 O ATOM 357 OP2 DT B 12 -6.045 -7.104 12.117 1.00 0.00 O ATOM 358 O5' DT B 12 -6.936 -4.779 12.320 1.00 0.00 O ATOM 359 C5' DT B 12 -7.796 -3.769 12.826 1.00 0.00 C ATOM 360 C4' DT B 12 -7.439 -2.389 12.260 1.00 0.00 C ATOM 361 O4' DT B 12 -6.090 -2.087 12.604 1.00 0.00 O ATOM 362 C3' DT B 12 -7.577 -2.311 10.729 1.00 0.00 C ATOM 363 O3' DT B 12 -8.139 -1.057 10.354 1.00 0.00 O ATOM 364 C2' DT B 12 -6.121 -2.421 10.305 1.00 0.00 C ATOM 365 C1' DT B 12 -5.440 -1.645 11.431 1.00 0.00 C ATOM 366 N1 DT B 12 -3.972 -1.864 11.495 1.00 0.00 N ATOM 367 C2 DT B 12 -3.150 -0.732 11.435 1.00 0.00 C ATOM 368 O2 DT B 12 -3.562 0.414 11.310 1.00 0.00 O ATOM 369 N3 DT B 12 -1.798 -0.926 11.608 1.00 0.00 N ATOM 370 C4 DT B 12 -1.205 -2.119 11.948 1.00 0.00 C ATOM 371 O4 DT B 12 -0.030 -2.116 12.320 1.00 0.00 O ATOM 372 C5 DT B 12 -2.092 -3.275 11.879 1.00 0.00 C ATOM 373 C7 DT B 12 -1.494 -4.647 12.078 1.00 0.00 C ATOM 374 C6 DT B 12 -3.430 -3.126 11.669 1.00 0.00 C ATOM 0 H5' DT B 12 -7.730 -3.745 13.914 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.829 -4.010 12.575 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.140 -1.674 12.691 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.225 -3.063 10.280 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.782 -3.456 10.252 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.940 -1.976 9.327 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.531 -0.569 11.279 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.187 -0.120 11.473 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.239 -5.308 12.520 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.178 -5.049 11.116 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.633 -4.576 12.742 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.070 -3.995 11.638 1.00 0.00 H new ATOM 387 P DG B 13 -8.791 -0.804 8.891 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.257 -0.701 9.052 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.216 -1.781 7.944 1.00 0.00 O ATOM 390 O5' DG B 13 -8.220 0.646 8.477 1.00 0.00 O ATOM 391 C5' DG B 13 -8.697 1.833 9.089 1.00 0.00 C ATOM 392 C4' DG B 13 -7.766 3.033 8.849 1.00 0.00 C ATOM 393 O4' DG B 13 -6.477 2.692 9.348 1.00 0.00 O ATOM 394 C3' DG B 13 -7.606 3.491 7.390 1.00 0.00 C ATOM 395 O3' DG B 13 -7.444 4.907 7.350 1.00 0.00 O ATOM 396 C2' DG B 13 -6.364 2.743 6.988 1.00 0.00 C ATOM 397 C1' DG B 13 -5.554 2.672 8.273 1.00 0.00 C ATOM 398 N9 DG B 13 -4.710 1.460 8.262 1.00 0.00 N ATOM 399 C8 DG B 13 -5.031 0.160 7.950 1.00 0.00 C ATOM 400 N7 DG B 13 -4.017 -0.663 7.973 1.00 0.00 N ATOM 401 C5 DG B 13 -2.937 0.155 8.312 1.00 0.00 C ATOM 402 C6 DG B 13 -1.554 -0.140 8.561 1.00 0.00 C ATOM 403 O6 DG B 13 -0.960 -1.217 8.574 1.00 0.00 O ATOM 404 N1 DG B 13 -0.818 0.977 8.898 1.00 0.00 N ATOM 405 C2 DG B 13 -1.325 2.240 8.974 1.00 0.00 C ATOM 406 N2 DG B 13 -0.509 3.226 9.250 1.00 0.00 N ATOM 407 N3 DG B 13 -2.594 2.553 8.747 1.00 0.00 N ATOM 408 C4 DG B 13 -3.355 1.461 8.449 1.00 0.00 C ATOM 0 H5' DG B 13 -8.803 1.668 10.161 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.690 2.064 8.702 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.235 3.872 9.363 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.450 3.291 6.730 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.600 1.749 6.608 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.820 3.264 6.200 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.873 3.517 8.377 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.035 -0.154 7.707 1.00 0.00 H new ATOM 0 H1 DG B 13 0.173 0.849 9.104 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.865 4.180 9.312 1.00 0.00 H new ATOM 0 H22 DG B 13 0.482 3.040 9.403 1.00 0.00 H new ATOM 420 P DT B 14 -7.204 5.739 5.978 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.989 6.988 6.058 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.385 4.825 4.829 1.00 0.00 O ATOM 423 O5' DT B 14 -5.636 6.121 6.067 1.00 0.00 O ATOM 424 C5' DT B 14 -5.172 7.026 7.059 1.00 0.00 C ATOM 425 C4' DT B 14 -3.669 7.335 6.965 1.00 0.00 C ATOM 426 O4' DT B 14 -2.921 6.141 7.152 1.00 0.00 O ATOM 427 C3' DT B 14 -3.226 7.973 5.641 1.00 0.00 C ATOM 428 O3' DT B 14 -2.250 8.970 5.911 1.00 0.00 O ATOM 429 C2' DT B 14 -2.654 6.783 4.892 1.00 0.00 C ATOM 430 C1' DT B 14 -2.072 5.949 6.033 1.00 0.00 C ATOM 431 N1 DT B 14 -1.985 4.496 5.731 1.00 0.00 N ATOM 432 C2 DT B 14 -0.772 3.843 5.978 1.00 0.00 C ATOM 433 O2 DT B 14 0.241 4.412 6.369 1.00 0.00 O ATOM 434 N3 DT B 14 -0.744 2.485 5.751 1.00 0.00 N ATOM 435 C4 DT B 14 -1.791 1.727 5.271 1.00 0.00 C ATOM 436 O4 DT B 14 -1.613 0.524 5.110 1.00 0.00 O ATOM 437 C5 DT B 14 -3.021 2.470 5.006 1.00 0.00 C ATOM 438 C7 DT B 14 -4.251 1.753 4.467 1.00 0.00 C ATOM 439 C6 DT B 14 -3.078 3.806 5.247 1.00 0.00 C ATOM 0 H5' DT B 14 -5.387 6.612 8.044 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.731 7.958 6.976 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.478 8.067 7.749 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.010 8.477 5.075 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.421 6.241 4.338 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.891 7.080 4.172 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.048 6.278 6.211 1.00 0.00 H new ATOM 0 H3 DT B 14 0.128 1.997 5.956 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.940 0.903 3.860 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.861 1.401 5.299 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.834 2.441 3.855 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.998 4.339 5.056 1.00 0.00 H new ATOM 452 P DA B 15 -1.583 9.871 4.746 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.197 11.173 5.332 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.465 9.827 3.559 1.00 0.00 O ATOM 455 O5' DA B 15 -0.238 9.047 4.407 1.00 0.00 O ATOM 456 C5' DA B 15 0.856 9.037 5.311 1.00 0.00 C ATOM 457 C4' DA B 15 2.059 8.246 4.776 1.00 0.00 C ATOM 458 O4' DA B 15 1.769 6.853 4.771 1.00 0.00 O ATOM 459 C3' DA B 15 2.470 8.652 3.356 1.00 0.00 C ATOM 460 O3' DA B 15 3.864 8.923 3.332 1.00 0.00 O ATOM 461 C2' DA B 15 2.107 7.410 2.557 1.00 0.00 C ATOM 462 C1' DA B 15 2.285 6.290 3.582 1.00 0.00 C ATOM 463 N9 DA B 15 1.539 5.051 3.245 1.00 0.00 N ATOM 464 C8 DA B 15 0.226 4.925 2.859 1.00 0.00 C ATOM 465 N7 DA B 15 -0.169 3.695 2.666 1.00 0.00 N ATOM 466 C5 DA B 15 0.982 2.948 2.948 1.00 0.00 C ATOM 467 C6 DA B 15 1.284 1.564 2.958 1.00 0.00 C ATOM 468 N6 DA B 15 0.395 0.613 2.724 1.00 0.00 N ATOM 469 N1 DA B 15 2.521 1.137 3.233 1.00 0.00 N ATOM 470 C2 DA B 15 3.445 2.048 3.523 1.00 0.00 C ATOM 471 N3 DA B 15 3.305 3.371 3.569 1.00 0.00 N ATOM 472 C4 DA B 15 2.032 3.764 3.277 1.00 0.00 C ATOM 0 H5' DA B 15 0.535 8.605 6.259 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.163 10.063 5.515 1.00 0.00 H new ATOM 0 H4' DA B 15 2.888 8.476 5.446 1.00 0.00 H new ATOM 0 H3' DA B 15 1.991 9.551 2.968 1.00 0.00 H new ATOM 0 H2' DA B 15 1.086 7.455 2.179 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.760 7.278 1.694 1.00 0.00 H new ATOM 0 H1' DA B 15 3.327 5.976 3.641 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.427 5.775 2.726 1.00 0.00 H new ATOM 0 H61 DA B 15 0.678 -0.367 2.746 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.574 0.859 2.521 1.00 0.00 H new ATOM 0 H2 DA B 15 4.430 1.668 3.749 1.00 0.00 H new ATOM 484 P DC B 16 4.602 9.525 2.028 1.00 0.00 P ATOM 485 OP1 DC B 16 5.728 10.379 2.463 1.00 0.00 O ATOM 486 OP2 DC B 16 3.585 10.051 1.093 1.00 0.00 O ATOM 487 O5' DC B 16 5.215 8.189 1.383 1.00 0.00 O ATOM 488 C5' DC B 16 6.348 7.564 1.956 1.00 0.00 C ATOM 489 C4' DC B 16 6.704 6.279 1.207 1.00 0.00 C ATOM 490 O4' DC B 16 5.822 5.231 1.554 1.00 0.00 O ATOM 491 C3' DC B 16 6.621 6.396 -0.317 1.00 0.00 C ATOM 492 O3' DC B 16 7.797 6.953 -0.879 1.00 0.00 O ATOM 493 C2' DC B 16 6.452 4.937 -0.721 1.00 0.00 C ATOM 494 C1' DC B 16 5.847 4.267 0.520 1.00 0.00 C ATOM 495 N1 DC B 16 4.462 3.789 0.272 1.00 0.00 N ATOM 496 C2 DC B 16 4.223 2.415 0.214 1.00 0.00 C ATOM 497 O2 DC B 16 5.123 1.594 0.382 1.00 0.00 O ATOM 498 N3 DC B 16 2.977 1.955 -0.053 1.00 0.00 N ATOM 499 C4 DC B 16 1.995 2.817 -0.245 1.00 0.00 C ATOM 500 N4 DC B 16 0.809 2.296 -0.428 1.00 0.00 N ATOM 501 C5 DC B 16 2.188 4.232 -0.221 1.00 0.00 C ATOM 502 C6 DC B 16 3.443 4.680 0.043 1.00 0.00 C ATOM 0 H5' DC B 16 6.151 7.336 3.003 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.196 8.249 1.933 1.00 0.00 H new ATOM 0 H4' DC B 16 7.735 6.081 1.501 1.00 0.00 H new ATOM 0 H3' DC B 16 5.825 7.056 -0.661 1.00 0.00 H new ATOM 0 H2' DC B 16 5.797 4.837 -1.586 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.407 4.486 -0.991 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.700 7.007 -1.853 1.00 0.00 H new ATOM 0 H1' DC B 16 6.452 3.400 0.786 1.00 0.00 H new ATOM 0 H41 DC B 16 0.004 2.903 -0.582 1.00 0.00 H new ATOM 0 H42 DC B 16 0.690 1.283 -0.416 1.00 0.00 H new ATOM 0 H5 DC B 16 1.372 4.916 -0.405 1.00 0.00 H new ATOM 0 H6 DC B 16 3.640 5.741 0.073 1.00 0.00 H new TER 515 DC B 16