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 29:sc= 0.0781 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.832 (180deg=-2.18!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 30:sc= 0.0639 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.452 (180deg=-1.01) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.734 (180deg=-2.34!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.008 -8.564 -1.516 1.00 0.00 O ATOM 2 C5' DG A 1 2.339 -9.004 -1.707 1.00 0.00 C ATOM 3 C4' DG A 1 3.321 -8.072 -0.986 1.00 0.00 C ATOM 4 O4' DG A 1 3.029 -6.716 -1.328 1.00 0.00 O ATOM 5 C3' DG A 1 3.271 -8.200 0.543 1.00 0.00 C ATOM 6 O3' DG A 1 4.594 -8.360 1.023 1.00 0.00 O ATOM 7 C2' DG A 1 2.645 -6.886 0.949 1.00 0.00 C ATOM 8 C1' DG A 1 3.099 -5.936 -0.144 1.00 0.00 C ATOM 9 N9 DG A 1 2.211 -4.755 -0.214 1.00 0.00 N ATOM 10 C8 DG A 1 0.847 -4.723 -0.341 1.00 0.00 C ATOM 11 N7 DG A 1 0.338 -3.526 -0.405 1.00 0.00 N ATOM 12 C5 DG A 1 1.445 -2.689 -0.247 1.00 0.00 C ATOM 13 C6 DG A 1 1.558 -1.257 -0.207 1.00 0.00 C ATOM 14 O6 DG A 1 0.693 -0.396 -0.363 1.00 0.00 O ATOM 15 N1 DG A 1 2.850 -0.822 0.025 1.00 0.00 N ATOM 16 C2 DG A 1 3.919 -1.650 0.189 1.00 0.00 C ATOM 17 N2 DG A 1 5.079 -1.093 0.439 1.00 0.00 N ATOM 18 N3 DG A 1 3.859 -2.981 0.131 1.00 0.00 N ATOM 19 C4 DG A 1 2.593 -3.441 -0.092 1.00 0.00 C ATOM 0 H5' DG A 1 2.570 -9.032 -2.772 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.450 -10.021 -1.330 1.00 0.00 H new ATOM 0 H4' DG A 1 4.319 -8.366 -1.312 1.00 0.00 H new ATOM 0 H3' DG A 1 2.712 -9.050 0.936 1.00 0.00 H new ATOM 0 H2' DG A 1 1.558 -6.955 0.997 1.00 0.00 H new ATOM 0 H2'' DG A 1 2.988 -6.563 1.932 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.999 -7.592 -1.395 1.00 0.00 H new ATOM 0 H1' DG A 1 4.100 -5.538 0.026 1.00 0.00 H new ATOM 0 H8 DG A 1 0.243 -5.617 -0.384 1.00 0.00 H new ATOM 0 H1 DG A 1 3.013 0.184 0.077 1.00 0.00 H new ATOM 0 H21 DG A 1 5.907 -1.675 0.569 1.00 0.00 H new ATOM 0 H22 DG A 1 5.154 -0.078 0.504 1.00 0.00 H new ATOM 32 P DT A 2 4.933 -8.604 2.584 1.00 0.00 P ATOM 33 OP1 DT A 2 5.956 -9.668 2.665 1.00 0.00 O ATOM 34 OP2 DT A 2 3.661 -8.729 3.327 1.00 0.00 O ATOM 35 O5' DT A 2 5.614 -7.201 2.983 1.00 0.00 O ATOM 36 C5' DT A 2 6.859 -6.817 2.418 1.00 0.00 C ATOM 37 C4' DT A 2 7.405 -5.511 3.007 1.00 0.00 C ATOM 38 O4' DT A 2 6.524 -4.437 2.704 1.00 0.00 O ATOM 39 C3' DT A 2 7.598 -5.561 4.526 1.00 0.00 C ATOM 40 O3' DT A 2 8.800 -4.881 4.855 1.00 0.00 O ATOM 41 C2' DT A 2 6.356 -4.847 5.030 1.00 0.00 C ATOM 42 C1' DT A 2 6.104 -3.829 3.915 1.00 0.00 C ATOM 43 N1 DT A 2 4.685 -3.399 3.779 1.00 0.00 N ATOM 44 C2 DT A 2 4.426 -2.028 3.657 1.00 0.00 C ATOM 45 O2 DT A 2 5.293 -1.160 3.723 1.00 0.00 O ATOM 46 N3 DT A 2 3.117 -1.663 3.437 1.00 0.00 N ATOM 47 C4 DT A 2 2.047 -2.524 3.325 1.00 0.00 C ATOM 48 O4 DT A 2 0.943 -2.058 3.066 1.00 0.00 O ATOM 49 C5 DT A 2 2.371 -3.937 3.514 1.00 0.00 C ATOM 50 C7 DT A 2 1.274 -4.990 3.469 1.00 0.00 C ATOM 51 C6 DT A 2 3.657 -4.321 3.720 1.00 0.00 C ATOM 0 H5' DT A 2 6.743 -6.703 1.340 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.586 -7.613 2.578 1.00 0.00 H new ATOM 0 H4' DT A 2 8.385 -5.362 2.553 1.00 0.00 H new ATOM 0 H3' DT A 2 7.696 -6.556 4.960 1.00 0.00 H new ATOM 0 H2' DT A 2 5.516 -5.530 5.158 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.524 -4.365 5.993 1.00 0.00 H new ATOM 0 H1' DT A 2 6.658 -2.923 4.159 1.00 0.00 H new ATOM 0 H3 DT A 2 2.922 -0.666 3.349 1.00 0.00 H new ATOM 0 H71 DT A 2 0.337 -4.554 3.816 1.00 0.00 H new ATOM 0 H72 DT A 2 1.152 -5.345 2.446 1.00 0.00 H new ATOM 0 H73 DT A 2 1.546 -5.826 4.113 1.00 0.00 H new ATOM 0 H6 DT A 2 3.882 -5.370 3.840 1.00 0.00 H new ATOM 64 P DA A 3 9.398 -4.870 6.355 1.00 0.00 P ATOM 65 OP1 DA A 3 10.864 -4.699 6.258 1.00 0.00 O ATOM 66 OP2 DA A 3 8.833 -6.020 7.091 1.00 0.00 O ATOM 67 O5' DA A 3 8.766 -3.515 6.960 1.00 0.00 O ATOM 68 C5' DA A 3 9.238 -2.249 6.529 1.00 0.00 C ATOM 69 C4' DA A 3 8.559 -1.076 7.242 1.00 0.00 C ATOM 70 O4' DA A 3 7.237 -0.906 6.747 1.00 0.00 O ATOM 71 C3' DA A 3 8.484 -1.218 8.769 1.00 0.00 C ATOM 72 O3' DA A 3 8.999 -0.018 9.323 1.00 0.00 O ATOM 73 C2' DA A 3 6.983 -1.392 9.007 1.00 0.00 C ATOM 74 C1' DA A 3 6.382 -0.617 7.836 1.00 0.00 C ATOM 75 N9 DA A 3 5.003 -1.027 7.474 1.00 0.00 N ATOM 76 C8 DA A 3 4.484 -2.293 7.347 1.00 0.00 C ATOM 77 N7 DA A 3 3.254 -2.334 6.913 1.00 0.00 N ATOM 78 C5 DA A 3 2.920 -0.981 6.786 1.00 0.00 C ATOM 79 C6 DA A 3 1.756 -0.280 6.388 1.00 0.00 C ATOM 80 N6 DA A 3 0.648 -0.873 5.978 1.00 0.00 N ATOM 81 N1 DA A 3 1.720 1.058 6.412 1.00 0.00 N ATOM 82 C2 DA A 3 2.821 1.699 6.797 1.00 0.00 C ATOM 83 N3 DA A 3 3.991 1.180 7.155 1.00 0.00 N ATOM 84 C4 DA A 3 3.975 -0.180 7.134 1.00 0.00 C ATOM 0 H5' DA A 3 9.077 -2.155 5.455 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.314 -2.194 6.696 1.00 0.00 H new ATOM 0 H4' DA A 3 9.186 -0.210 7.030 1.00 0.00 H new ATOM 0 H3' DA A 3 9.049 -2.037 9.214 1.00 0.00 H new ATOM 0 H2' DA A 3 6.687 -2.441 8.996 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.673 -0.983 9.969 1.00 0.00 H new ATOM 0 H1' DA A 3 6.309 0.438 8.100 1.00 0.00 H new ATOM 0 H8 DA A 3 5.048 -3.182 7.587 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.159 -0.313 5.704 1.00 0.00 H new ATOM 0 H62 DA A 3 0.600 -1.891 5.936 1.00 0.00 H new ATOM 0 H2 DA A 3 2.755 2.777 6.822 1.00 0.00 H new ATOM 96 P DC A 4 9.153 0.239 10.911 1.00 0.00 P ATOM 97 OP1 DC A 4 10.472 0.862 11.152 1.00 0.00 O ATOM 98 OP2 DC A 4 8.755 -0.983 11.642 1.00 0.00 O ATOM 99 O5' DC A 4 8.016 1.357 11.114 1.00 0.00 O ATOM 100 C5' DC A 4 8.122 2.606 10.446 1.00 0.00 C ATOM 101 C4' DC A 4 6.818 3.402 10.513 1.00 0.00 C ATOM 102 O4' DC A 4 5.764 2.606 9.993 1.00 0.00 O ATOM 103 C3' DC A 4 6.442 3.850 11.931 1.00 0.00 C ATOM 104 O3' DC A 4 6.114 5.233 11.899 1.00 0.00 O ATOM 105 C2' DC A 4 5.229 2.988 12.248 1.00 0.00 C ATOM 106 C1' DC A 4 4.656 2.728 10.855 1.00 0.00 C ATOM 107 N1 DC A 4 3.795 1.516 10.730 1.00 0.00 N ATOM 108 C2 DC A 4 2.591 1.638 10.037 1.00 0.00 C ATOM 109 O2 DC A 4 2.179 2.727 9.645 1.00 0.00 O ATOM 110 N3 DC A 4 1.825 0.545 9.796 1.00 0.00 N ATOM 111 C4 DC A 4 2.191 -0.623 10.283 1.00 0.00 C ATOM 112 N4 DC A 4 1.440 -1.645 9.959 1.00 0.00 N ATOM 113 C5 DC A 4 3.342 -0.785 11.106 1.00 0.00 C ATOM 114 C6 DC A 4 4.146 0.299 11.269 1.00 0.00 C ATOM 0 H5' DC A 4 8.391 2.438 9.403 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.927 3.190 10.893 1.00 0.00 H new ATOM 0 H4' DC A 4 6.973 4.306 9.924 1.00 0.00 H new ATOM 0 H3' DC A 4 7.230 3.735 12.675 1.00 0.00 H new ATOM 0 H2' DC A 4 5.506 2.064 12.755 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.518 3.505 12.893 1.00 0.00 H new ATOM 0 H1' DC A 4 3.992 3.557 10.610 1.00 0.00 H new ATOM 0 H41 DC A 4 1.670 -2.577 10.304 1.00 0.00 H new ATOM 0 H42 DC A 4 0.625 -1.510 9.361 1.00 0.00 H new ATOM 0 H5 DC A 4 3.567 -1.729 11.580 1.00 0.00 H new ATOM 0 H6 DC A 4 5.067 0.205 11.825 1.00 0.00 H new HETATM 126 P NCX A 5 6.063 6.132 13.238 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.210 7.548 12.839 1.00 0.00 O HETATM 128 OP2 NCX A 5 6.998 5.548 14.224 1.00 0.00 O HETATM 129 O5' NCX A 5 4.561 5.915 13.784 1.00 0.00 O HETATM 130 C5' NCX A 5 3.457 6.593 13.203 1.00 0.00 C HETATM 131 C4' NCX A 5 2.157 6.401 14.001 1.00 0.00 C HETATM 132 O4' NCX A 5 1.548 5.152 13.691 1.00 0.00 O HETATM 133 C1' NCX A 5 1.229 4.498 14.907 1.00 0.00 C HETATM 134 N9 NCX A 5 1.177 3.035 14.686 1.00 0.00 N HETATM 135 C8 NCX A 5 2.175 2.088 14.925 1.00 0.00 C HETATM 136 C7 NCX A 5 1.679 0.819 14.675 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.502 -0.405 14.738 1.00 0.00 C HETATM 138 O7 NCX A 5 3.632 -0.480 15.159 1.00 0.00 O HETATM 139 NH7 NCX A 5 1.973 -1.519 14.234 1.00 0.00 N HETATM 140 C5 NCX A 5 0.288 1.008 14.438 1.00 0.00 C HETATM 141 C4 NCX A 5 0.047 2.349 14.402 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.236 2.850 14.180 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.296 1.943 14.152 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.069 0.564 14.317 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.213 -0.384 14.460 1.00 0.00 N HETATM 146 O11 NCX A 5 -4.338 0.085 14.528 1.00 0.00 O HETATM 147 O12 NCX A 5 -2.949 -1.575 14.470 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.748 0.091 14.394 1.00 0.00 C HETATM 149 C3' NCX A 5 2.360 6.453 15.522 1.00 0.00 C HETATM 150 C2' NCX A 5 2.291 4.978 15.895 1.00 0.00 C HETATM 151 O3' NCX A 5 1.280 7.184 16.074 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.503 -2.390 14.255 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.038 -1.501 13.828 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.684 7.657 13.136 1.00 0.00 H new HETATM 0 H2'' NCX A 5 1.993 4.825 16.932 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.189 2.313 15.257 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.543 -0.979 14.419 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.310 6.233 12.185 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.519 7.234 13.707 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.278 6.928 15.869 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.405 3.917 14.033 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.246 4.470 15.759 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.312 2.307 14.000 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.244 4.735 15.309 1.00 0.00 H new ATOM 165 P DA A 6 1.309 7.811 17.558 1.00 0.00 P ATOM 166 OP1 DA A 6 1.590 9.259 17.459 1.00 0.00 O ATOM 167 OP2 DA A 6 2.117 6.944 18.441 1.00 0.00 O ATOM 168 O5' DA A 6 -0.228 7.605 17.962 1.00 0.00 O ATOM 169 C5' DA A 6 -1.269 8.218 17.223 1.00 0.00 C ATOM 170 C4' DA A 6 -2.629 7.590 17.552 1.00 0.00 C ATOM 171 O4' DA A 6 -2.619 6.214 17.187 1.00 0.00 O ATOM 172 C3' DA A 6 -3.007 7.695 19.030 1.00 0.00 C ATOM 173 O3' DA A 6 -4.408 7.918 19.110 1.00 0.00 O ATOM 174 C2' DA A 6 -2.554 6.341 19.562 1.00 0.00 C ATOM 175 C1' DA A 6 -2.693 5.410 18.353 1.00 0.00 C ATOM 176 N9 DA A 6 -1.660 4.340 18.302 1.00 0.00 N ATOM 177 C8 DA A 6 -0.315 4.398 18.596 1.00 0.00 C ATOM 178 N7 DA A 6 0.300 3.246 18.537 1.00 0.00 N ATOM 179 C5 DA A 6 -0.710 2.362 18.147 1.00 0.00 C ATOM 180 C6 DA A 6 -0.763 0.973 17.890 1.00 0.00 C ATOM 181 N6 DA A 6 0.280 0.162 17.996 1.00 0.00 N ATOM 182 N1 DA A 6 -1.906 0.399 17.496 1.00 0.00 N ATOM 183 C2 DA A 6 -2.981 1.174 17.367 1.00 0.00 C ATOM 184 N3 DA A 6 -3.082 2.480 17.591 1.00 0.00 N ATOM 185 C4 DA A 6 -1.898 3.023 17.983 1.00 0.00 C ATOM 0 H5' DA A 6 -1.068 8.118 16.156 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.295 9.285 17.444 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.371 8.150 16.983 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.558 8.508 19.600 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.526 6.377 19.924 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.174 6.010 20.395 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.648 4.890 18.430 1.00 0.00 H new ATOM 0 H8 DA A 6 0.189 5.318 18.854 1.00 0.00 H new ATOM 0 H61 DA A 6 0.175 -0.833 17.796 1.00 0.00 H new ATOM 0 H62 DA A 6 1.188 0.533 18.278 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.884 0.680 17.039 1.00 0.00 H new ATOM 197 P DC A 7 -5.199 8.051 20.511 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.371 8.929 20.303 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.224 8.347 21.582 1.00 0.00 O ATOM 200 O5' DC A 7 -5.724 6.543 20.699 1.00 0.00 O ATOM 201 C5' DC A 7 -6.664 5.989 19.794 1.00 0.00 C ATOM 202 C4' DC A 7 -6.895 4.492 20.036 1.00 0.00 C ATOM 203 O4' DC A 7 -5.689 3.772 19.786 1.00 0.00 O ATOM 204 C3' DC A 7 -7.354 4.148 21.462 1.00 0.00 C ATOM 205 O3' DC A 7 -8.352 3.144 21.372 1.00 0.00 O ATOM 206 C2' DC A 7 -6.049 3.661 22.059 1.00 0.00 C ATOM 207 C1' DC A 7 -5.503 2.877 20.865 1.00 0.00 C ATOM 208 N1 DC A 7 -4.078 2.469 21.007 1.00 0.00 N ATOM 209 C2 DC A 7 -3.719 1.146 20.722 1.00 0.00 C ATOM 210 O2 DC A 7 -4.536 0.324 20.311 1.00 0.00 O ATOM 211 N3 DC A 7 -2.441 0.728 20.913 1.00 0.00 N ATOM 212 C4 DC A 7 -1.549 1.575 21.392 1.00 0.00 C ATOM 213 N4 DC A 7 -0.328 1.125 21.532 1.00 0.00 N ATOM 214 C5 DC A 7 -1.863 2.929 21.708 1.00 0.00 C ATOM 215 C6 DC A 7 -3.135 3.341 21.493 1.00 0.00 C ATOM 0 H5' DC A 7 -6.314 6.140 18.773 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.611 6.520 19.888 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.696 4.208 19.353 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.805 4.945 22.053 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.394 4.479 22.358 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.198 3.035 22.939 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.016 1.923 20.741 1.00 0.00 H new ATOM 0 H41 DC A 7 0.402 1.736 21.898 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.107 0.163 21.275 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.115 3.600 22.104 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.410 4.364 21.705 1.00 0.00 H new ATOM 227 P DG A 8 -9.178 2.602 22.646 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.623 2.777 22.384 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.576 3.125 23.890 1.00 0.00 O ATOM 230 O5' DG A 8 -8.836 1.037 22.555 1.00 0.00 O ATOM 231 C5' DG A 8 -9.256 0.268 21.438 1.00 0.00 C ATOM 232 C4' DG A 8 -8.998 -1.230 21.642 1.00 0.00 C ATOM 233 O4' DG A 8 -7.601 -1.469 21.600 1.00 0.00 O ATOM 234 C3' DG A 8 -9.531 -1.745 22.987 1.00 0.00 C ATOM 235 O3' DG A 8 -10.010 -3.075 22.868 1.00 0.00 O ATOM 236 C2' DG A 8 -8.291 -1.708 23.869 1.00 0.00 C ATOM 237 C1' DG A 8 -7.176 -1.964 22.856 1.00 0.00 C ATOM 238 N9 DG A 8 -5.901 -1.331 23.248 1.00 0.00 N ATOM 239 C8 DG A 8 -5.616 -0.006 23.468 1.00 0.00 C ATOM 240 N7 DG A 8 -4.370 0.223 23.792 1.00 0.00 N ATOM 241 C5 DG A 8 -3.788 -1.050 23.798 1.00 0.00 C ATOM 242 C6 DG A 8 -2.447 -1.494 24.072 1.00 0.00 C ATOM 243 O6 DG A 8 -1.437 -0.846 24.344 1.00 0.00 O ATOM 244 N1 DG A 8 -2.309 -2.870 24.017 1.00 0.00 N ATOM 245 C2 DG A 8 -3.318 -3.733 23.720 1.00 0.00 C ATOM 246 N2 DG A 8 -3.031 -5.013 23.688 1.00 0.00 N ATOM 247 N3 DG A 8 -4.568 -3.362 23.455 1.00 0.00 N ATOM 248 C4 DG A 8 -4.736 -2.007 23.501 1.00 0.00 C ATOM 0 H5' DG A 8 -8.731 0.608 20.546 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.319 0.432 21.264 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.523 -1.758 20.846 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.366 -1.160 23.372 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.175 -0.747 24.370 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.320 -2.472 24.646 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.343 -3.382 23.737 1.00 0.00 H new ATOM 0 H1' DG A 8 -6.987 -3.037 22.809 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.355 0.777 23.381 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.389 -3.264 24.212 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.759 -5.694 23.469 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.080 -5.327 23.882 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.931 -8.056 25.750 1.00 0.00 O ATOM 263 C5' DC B 9 3.991 -9.064 26.067 1.00 0.00 C ATOM 264 C4' DC B 9 2.716 -8.889 25.232 1.00 0.00 C ATOM 265 O4' DC B 9 2.261 -7.542 25.339 1.00 0.00 O ATOM 266 C3' DC B 9 2.899 -9.185 23.736 1.00 0.00 C ATOM 267 O3' DC B 9 1.778 -9.957 23.335 1.00 0.00 O ATOM 268 C2' DC B 9 2.902 -7.784 23.129 1.00 0.00 C ATOM 269 C1' DC B 9 1.875 -7.119 24.043 1.00 0.00 C ATOM 270 N1 DC B 9 1.786 -5.628 23.994 1.00 0.00 N ATOM 271 C2 DC B 9 0.524 -5.053 24.190 1.00 0.00 C ATOM 272 O2 DC B 9 -0.486 -5.741 24.330 1.00 0.00 O ATOM 273 N3 DC B 9 0.379 -3.705 24.224 1.00 0.00 N ATOM 274 C4 DC B 9 1.432 -2.936 24.017 1.00 0.00 C ATOM 275 N4 DC B 9 1.218 -1.644 24.053 1.00 0.00 N ATOM 276 C5 DC B 9 2.742 -3.461 23.805 1.00 0.00 C ATOM 277 C6 DC B 9 2.881 -4.813 23.802 1.00 0.00 C ATOM 0 H5' DC B 9 3.747 -9.021 27.128 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.424 -10.046 25.879 1.00 0.00 H new ATOM 0 H4' DC B 9 2.003 -9.610 25.633 1.00 0.00 H new ATOM 0 H3' DC B 9 3.791 -9.742 23.447 1.00 0.00 H new ATOM 0 H2' DC B 9 3.881 -7.307 23.179 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.598 -7.779 22.082 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.459 -7.246 25.465 1.00 0.00 H new ATOM 0 H1' DC B 9 0.876 -7.416 23.723 1.00 0.00 H new ATOM 0 H41 DC B 9 1.990 -0.995 23.901 1.00 0.00 H new ATOM 0 H42 DC B 9 0.279 -1.287 24.233 1.00 0.00 H new ATOM 0 H5 DC B 9 3.590 -2.809 23.653 1.00 0.00 H new ATOM 0 H6 DC B 9 3.856 -5.252 23.648 1.00 0.00 H new ATOM 290 P DG B 10 1.610 -10.553 21.847 1.00 0.00 P ATOM 291 OP1 DG B 10 1.249 -11.982 21.972 1.00 0.00 O ATOM 292 OP2 DG B 10 2.780 -10.148 21.040 1.00 0.00 O ATOM 293 O5' DG B 10 0.317 -9.734 21.336 1.00 0.00 O ATOM 294 C5' DG B 10 -0.972 -10.014 21.864 1.00 0.00 C ATOM 295 C4' DG B 10 -2.109 -9.304 21.113 1.00 0.00 C ATOM 296 O4' DG B 10 -2.117 -7.929 21.474 1.00 0.00 O ATOM 297 C3' DG B 10 -2.009 -9.409 19.585 1.00 0.00 C ATOM 298 O3' DG B 10 -3.307 -9.573 19.026 1.00 0.00 O ATOM 299 C2' DG B 10 -1.407 -8.062 19.235 1.00 0.00 C ATOM 300 C1' DG B 10 -2.032 -7.156 20.294 1.00 0.00 C ATOM 301 N9 DG B 10 -1.213 -5.957 20.549 1.00 0.00 N ATOM 302 C8 DG B 10 0.132 -5.889 20.797 1.00 0.00 C ATOM 303 N7 DG B 10 0.589 -4.678 20.959 1.00 0.00 N ATOM 304 C5 DG B 10 -0.547 -3.874 20.801 1.00 0.00 C ATOM 305 C6 DG B 10 -0.725 -2.448 20.852 1.00 0.00 C ATOM 306 O6 DG B 10 0.101 -1.560 21.055 1.00 0.00 O ATOM 307 N1 DG B 10 -2.035 -2.055 20.645 1.00 0.00 N ATOM 308 C2 DG B 10 -3.065 -2.913 20.405 1.00 0.00 C ATOM 309 N2 DG B 10 -4.250 -2.390 20.211 1.00 0.00 N ATOM 310 N3 DG B 10 -2.935 -4.236 20.328 1.00 0.00 N ATOM 311 C4 DG B 10 -1.654 -4.657 20.546 1.00 0.00 C ATOM 0 H5' DG B 10 -0.999 -9.717 22.912 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.143 -11.090 21.833 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.031 -9.807 21.404 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.427 -10.252 19.212 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.319 -8.072 19.296 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.666 -7.748 18.224 1.00 0.00 H new ATOM 0 H1' DG B 10 -3.006 -6.804 19.955 1.00 0.00 H new ATOM 0 H8 DG B 10 0.762 -6.765 20.854 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.243 -1.057 20.674 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.051 -2.995 20.028 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.372 -1.378 20.243 1.00 0.00 H new ATOM 323 P DT B 11 -3.537 -9.838 17.445 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.569 -10.890 17.311 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.218 -10.013 16.802 1.00 0.00 O ATOM 326 O5' DT B 11 -4.161 -8.441 16.925 1.00 0.00 O ATOM 327 C5' DT B 11 -5.523 -8.124 17.170 1.00 0.00 C ATOM 328 C4' DT B 11 -5.953 -6.788 16.546 1.00 0.00 C ATOM 329 O4' DT B 11 -5.265 -5.759 17.242 1.00 0.00 O ATOM 330 C3' DT B 11 -5.718 -6.683 15.043 1.00 0.00 C ATOM 331 O3' DT B 11 -6.942 -6.301 14.428 1.00 0.00 O ATOM 332 C2' DT B 11 -4.730 -5.541 14.967 1.00 0.00 C ATOM 333 C1' DT B 11 -4.779 -4.824 16.311 1.00 0.00 C ATOM 334 N1 DT B 11 -3.457 -4.302 16.744 1.00 0.00 N ATOM 335 C2 DT B 11 -3.368 -2.945 17.062 1.00 0.00 C ATOM 336 O2 DT B 11 -4.335 -2.191 17.117 1.00 0.00 O ATOM 337 N3 DT B 11 -2.106 -2.457 17.314 1.00 0.00 N ATOM 338 C4 DT B 11 -0.939 -3.190 17.319 1.00 0.00 C ATOM 339 O4 DT B 11 0.113 -2.599 17.548 1.00 0.00 O ATOM 340 C5 DT B 11 -1.110 -4.621 17.051 1.00 0.00 C ATOM 341 C7 DT B 11 0.087 -5.566 17.081 1.00 0.00 C ATOM 342 C6 DT B 11 -2.346 -5.119 16.775 1.00 0.00 C ATOM 0 H5' DT B 11 -5.693 -8.087 18.246 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.152 -8.922 16.775 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.034 -6.698 16.651 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.372 -7.598 14.561 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.726 -5.912 14.764 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.988 -4.860 14.156 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.423 -3.948 16.231 1.00 0.00 H new ATOM 0 H3 DT B 11 -2.027 -1.460 17.516 1.00 0.00 H new ATOM 0 H71 DT B 11 0.986 -5.024 16.787 1.00 0.00 H new ATOM 0 H72 DT B 11 0.214 -5.960 18.089 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.083 -6.390 16.388 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.459 -6.175 16.576 1.00 0.00 H new ATOM 355 P DT B 12 -7.174 -6.359 12.829 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.588 -6.721 12.588 1.00 0.00 O ATOM 357 OP2 DT B 12 -6.087 -7.156 12.223 1.00 0.00 O ATOM 358 O5' DT B 12 -6.968 -4.824 12.395 1.00 0.00 O ATOM 359 C5' DT B 12 -7.829 -3.805 12.879 1.00 0.00 C ATOM 360 C4' DT B 12 -7.471 -2.433 12.294 1.00 0.00 C ATOM 361 O4' DT B 12 -6.122 -2.127 12.632 1.00 0.00 O ATOM 362 C3' DT B 12 -7.609 -2.368 10.763 1.00 0.00 C ATOM 363 O3' DT B 12 -8.159 -1.110 10.382 1.00 0.00 O ATOM 364 C2' DT B 12 -6.154 -2.495 10.338 1.00 0.00 C ATOM 365 C1' DT B 12 -5.472 -1.703 11.452 1.00 0.00 C ATOM 366 N1 DT B 12 -4.003 -1.919 11.519 1.00 0.00 N ATOM 367 C2 DT B 12 -3.185 -0.786 11.449 1.00 0.00 C ATOM 368 O2 DT B 12 -3.600 0.359 11.321 1.00 0.00 O ATOM 369 N3 DT B 12 -1.833 -0.976 11.616 1.00 0.00 N ATOM 370 C4 DT B 12 -1.236 -2.164 11.967 1.00 0.00 C ATOM 371 O4 DT B 12 -0.061 -2.153 12.333 1.00 0.00 O ATOM 372 C5 DT B 12 -2.122 -3.322 11.918 1.00 0.00 C ATOM 373 C7 DT B 12 -1.520 -4.689 12.132 1.00 0.00 C ATOM 374 C6 DT B 12 -3.460 -3.178 11.708 1.00 0.00 C ATOM 0 H5' DT B 12 -7.768 -3.764 13.967 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.861 -4.050 12.626 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.174 -1.716 12.718 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.263 -3.118 10.319 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.821 -3.532 10.302 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.971 -2.067 9.352 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.563 -0.630 11.284 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.224 -0.171 11.468 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.261 -5.346 12.587 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.208 -5.103 11.173 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.655 -4.607 12.790 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.099 -4.049 11.689 1.00 0.00 H new ATOM 387 P DG B 13 -8.802 -0.850 8.917 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.269 -0.748 9.068 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.220 -1.822 7.967 1.00 0.00 O ATOM 390 O5' DG B 13 -8.227 0.603 8.518 1.00 0.00 O ATOM 391 C5' DG B 13 -8.697 1.784 9.147 1.00 0.00 C ATOM 392 C4' DG B 13 -7.748 2.977 8.938 1.00 0.00 C ATOM 393 O4' DG B 13 -6.466 2.606 9.436 1.00 0.00 O ATOM 394 C3' DG B 13 -7.577 3.465 7.490 1.00 0.00 C ATOM 395 O3' DG B 13 -7.400 4.878 7.479 1.00 0.00 O ATOM 396 C2' DG B 13 -6.338 2.714 7.079 1.00 0.00 C ATOM 397 C1' DG B 13 -5.535 2.613 8.367 1.00 0.00 C ATOM 398 N9 DG B 13 -4.696 1.398 8.327 1.00 0.00 N ATOM 399 C8 DG B 13 -5.027 0.102 8.012 1.00 0.00 C ATOM 400 N7 DG B 13 -4.016 -0.724 8.014 1.00 0.00 N ATOM 401 C5 DG B 13 -2.928 0.088 8.341 1.00 0.00 C ATOM 402 C6 DG B 13 -1.543 -0.212 8.575 1.00 0.00 C ATOM 403 O6 DG B 13 -0.953 -1.292 8.578 1.00 0.00 O ATOM 404 N1 DG B 13 -0.798 0.900 8.909 1.00 0.00 N ATOM 405 C2 DG B 13 -1.300 2.165 8.998 1.00 0.00 C ATOM 406 N2 DG B 13 -0.479 3.145 9.276 1.00 0.00 N ATOM 407 N3 DG B 13 -2.570 2.482 8.787 1.00 0.00 N ATOM 408 C4 DG B 13 -3.338 1.396 8.490 1.00 0.00 C ATOM 0 H5' DG B 13 -8.816 1.601 10.215 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.683 2.034 8.754 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.206 3.812 9.468 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.420 3.287 6.823 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.580 1.729 6.680 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.786 3.245 6.304 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.854 3.454 8.499 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.036 -0.207 7.783 1.00 0.00 H new ATOM 0 H1 DG B 13 0.195 0.767 9.102 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.830 4.100 9.348 1.00 0.00 H new ATOM 0 H22 DG B 13 0.512 2.954 9.421 1.00 0.00 H new ATOM 420 P DT B 14 -7.157 5.735 6.122 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.934 6.987 6.229 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.346 4.844 4.957 1.00 0.00 O ATOM 423 O5' DT B 14 -5.586 6.106 6.212 1.00 0.00 O ATOM 424 C5' DT B 14 -5.111 6.994 7.214 1.00 0.00 C ATOM 425 C4' DT B 14 -3.610 7.304 7.110 1.00 0.00 C ATOM 426 O4' DT B 14 -2.860 6.107 7.271 1.00 0.00 O ATOM 427 C3' DT B 14 -3.180 7.961 5.791 1.00 0.00 C ATOM 428 O3' DT B 14 -2.198 8.953 6.065 1.00 0.00 O ATOM 429 C2' DT B 14 -2.619 6.782 5.017 1.00 0.00 C ATOM 430 C1' DT B 14 -2.025 5.927 6.140 1.00 0.00 C ATOM 431 N1 DT B 14 -1.948 4.479 5.814 1.00 0.00 N ATOM 432 C2 DT B 14 -0.735 3.818 6.036 1.00 0.00 C ATOM 433 O2 DT B 14 0.285 4.377 6.423 1.00 0.00 O ATOM 434 N3 DT B 14 -0.715 2.463 5.790 1.00 0.00 N ATOM 435 C4 DT B 14 -1.771 1.717 5.311 1.00 0.00 C ATOM 436 O4 DT B 14 -1.602 0.515 5.131 1.00 0.00 O ATOM 437 C5 DT B 14 -3.001 2.469 5.070 1.00 0.00 C ATOM 438 C7 DT B 14 -4.237 1.764 4.530 1.00 0.00 C ATOM 439 C6 DT B 14 -3.051 3.802 5.333 1.00 0.00 C ATOM 0 H5' DT B 14 -5.316 6.563 8.194 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.670 7.928 7.153 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.412 8.024 7.904 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.969 8.475 5.242 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.393 6.250 4.464 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.864 7.089 4.294 1.00 0.00 H new ATOM 0 H1' DT B 14 -0.998 6.248 6.312 1.00 0.00 H new ATOM 0 H3 DT B 14 0.157 1.968 5.979 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.933 0.923 3.907 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.840 1.400 5.361 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.824 2.463 3.935 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.971 4.342 5.162 1.00 0.00 H new ATOM 452 P DA B 15 -1.544 9.871 4.906 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.148 11.162 5.509 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.439 9.846 3.730 1.00 0.00 O ATOM 455 O5' DA B 15 -0.204 9.049 4.539 1.00 0.00 O ATOM 456 C5' DA B 15 0.900 9.022 5.432 1.00 0.00 C ATOM 457 C4' DA B 15 2.093 8.235 4.874 1.00 0.00 C ATOM 458 O4' DA B 15 1.798 6.843 4.853 1.00 0.00 O ATOM 459 C3' DA B 15 2.491 8.659 3.453 1.00 0.00 C ATOM 460 O3' DA B 15 3.886 8.927 3.418 1.00 0.00 O ATOM 461 C2' DA B 15 2.119 7.427 2.643 1.00 0.00 C ATOM 462 C1' DA B 15 2.301 6.294 3.652 1.00 0.00 C ATOM 463 N9 DA B 15 1.549 5.063 3.306 1.00 0.00 N ATOM 464 C8 DA B 15 0.233 4.946 2.927 1.00 0.00 C ATOM 465 N7 DA B 15 -0.168 3.721 2.720 1.00 0.00 N ATOM 466 C5 DA B 15 0.982 2.964 2.983 1.00 0.00 C ATOM 467 C6 DA B 15 1.276 1.581 2.973 1.00 0.00 C ATOM 468 N6 DA B 15 0.380 0.639 2.731 1.00 0.00 N ATOM 469 N1 DA B 15 2.513 1.142 3.235 1.00 0.00 N ATOM 470 C2 DA B 15 3.443 2.045 3.531 1.00 0.00 C ATOM 471 N3 DA B 15 3.310 3.369 3.595 1.00 0.00 N ATOM 472 C4 DA B 15 2.037 3.772 3.316 1.00 0.00 C ATOM 0 H5' DA B 15 0.587 8.578 6.377 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.213 10.044 5.648 1.00 0.00 H new ATOM 0 H4' DA B 15 2.929 8.453 5.538 1.00 0.00 H new ATOM 0 H3' DA B 15 2.009 9.564 3.082 1.00 0.00 H new ATOM 0 H2' DA B 15 1.095 7.479 2.273 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.765 7.303 1.774 1.00 0.00 H new ATOM 0 H1' DA B 15 3.342 5.976 3.698 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.418 5.800 2.810 1.00 0.00 H new ATOM 0 H61 DA B 15 0.657 -0.343 2.739 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.588 0.894 2.537 1.00 0.00 H new ATOM 0 H2 DA B 15 4.428 1.657 3.746 1.00 0.00 H new ATOM 484 P DC B 16 4.612 9.543 2.114 1.00 0.00 P ATOM 485 OP1 DC B 16 5.742 10.392 2.548 1.00 0.00 O ATOM 486 OP2 DC B 16 3.586 10.079 1.193 1.00 0.00 O ATOM 487 O5' DC B 16 5.219 8.214 1.449 1.00 0.00 O ATOM 488 C5' DC B 16 6.357 7.582 2.006 1.00 0.00 C ATOM 489 C4' DC B 16 6.705 6.304 1.241 1.00 0.00 C ATOM 490 O4' DC B 16 5.823 5.255 1.584 1.00 0.00 O ATOM 491 C3' DC B 16 6.614 6.438 -0.280 1.00 0.00 C ATOM 492 O3' DC B 16 7.789 6.992 -0.843 1.00 0.00 O ATOM 493 C2' DC B 16 6.433 4.985 -0.698 1.00 0.00 C ATOM 494 C1' DC B 16 5.833 4.303 0.539 1.00 0.00 C ATOM 495 N1 DC B 16 4.444 3.838 0.297 1.00 0.00 N ATOM 496 C2 DC B 16 4.193 2.465 0.230 1.00 0.00 C ATOM 497 O2 DC B 16 5.089 1.637 0.392 1.00 0.00 O ATOM 498 N3 DC B 16 2.945 2.016 -0.037 1.00 0.00 N ATOM 499 C4 DC B 16 1.968 2.885 -0.221 1.00 0.00 C ATOM 500 N4 DC B 16 0.778 2.375 -0.408 1.00 0.00 N ATOM 501 C5 DC B 16 2.170 4.298 -0.186 1.00 0.00 C ATOM 502 C6 DC B 16 3.429 4.737 0.079 1.00 0.00 C ATOM 0 H5' DC B 16 6.169 7.343 3.053 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.205 8.266 1.983 1.00 0.00 H new ATOM 0 H4' DC B 16 7.737 6.099 1.526 1.00 0.00 H new ATOM 0 H3' DC B 16 5.821 7.108 -0.612 1.00 0.00 H new ATOM 0 H2' DC B 16 5.771 4.899 -1.559 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.383 4.531 -0.980 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.686 7.057 -1.815 1.00 0.00 H new ATOM 0 H1' DC B 16 6.433 3.428 0.789 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.023 2.989 -0.556 1.00 0.00 H new ATOM 0 H42 DC B 16 0.651 1.363 -0.405 1.00 0.00 H new ATOM 0 H5 DC B 16 1.358 4.988 -0.362 1.00 0.00 H new ATOM 0 H6 DC B 16 3.632 5.797 0.118 1.00 0.00 H new TER 515 DC B 16