USER MOD reduce.3.24.130724 H: found=0, std=0, add=147, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 147 hydrogens (0 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= 0.0299 USER MOD Single : A 4 DT C7 :methyl 150:sc=-0.00376 (180deg=-0.00376) USER MOD Single : A 11 DT C7 :methyl -30:sc=-0.00392 (180deg=-0.201) USER MOD Single : A 13 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.163 9.926 9.608 1.00 0.00 O ATOM 2 C5' DG A 1 -3.201 9.496 10.461 1.00 0.00 C ATOM 3 C4' DG A 1 -3.674 8.094 10.064 1.00 0.00 C ATOM 4 O4' DG A 1 -4.093 8.113 8.707 1.00 0.00 O ATOM 5 C3' DG A 1 -2.575 7.028 10.196 1.00 0.00 C ATOM 6 O3' DG A 1 -3.143 5.873 10.797 1.00 0.00 O ATOM 7 C2' DG A 1 -2.188 6.792 8.739 1.00 0.00 C ATOM 8 C1' DG A 1 -3.534 6.992 8.053 1.00 0.00 C ATOM 9 N9 DG A 1 -3.400 7.259 6.603 1.00 0.00 N ATOM 10 C8 DG A 1 -2.722 8.276 5.980 1.00 0.00 C ATOM 11 N7 DG A 1 -2.868 8.302 4.685 1.00 0.00 N ATOM 12 C5 DG A 1 -3.710 7.227 4.423 1.00 0.00 C ATOM 13 C6 DG A 1 -4.257 6.768 3.187 1.00 0.00 C ATOM 14 O6 DG A 1 -4.078 7.231 2.062 1.00 0.00 O ATOM 15 N1 DG A 1 -5.094 5.668 3.353 1.00 0.00 N ATOM 16 C2 DG A 1 -5.318 5.032 4.561 1.00 0.00 C ATOM 17 N2 DG A 1 -6.066 3.924 4.542 1.00 0.00 N ATOM 18 N3 DG A 1 -4.809 5.466 5.724 1.00 0.00 N ATOM 19 C4 DG A 1 -4.027 6.571 5.590 1.00 0.00 C ATOM 0 H5' DG A 1 -4.035 10.196 10.410 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.852 9.490 11.494 1.00 0.00 H new ATOM 0 H4' DG A 1 -4.485 7.833 10.743 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.717 7.301 10.811 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.437 7.501 8.391 1.00 0.00 H new ATOM 0 H2'' DG A 1 -1.784 5.793 8.575 1.00 0.00 H new ATOM 0 HO5' DG A 1 -2.277 9.520 8.723 1.00 0.00 H new ATOM 0 H1' DG A 1 -4.150 6.095 8.124 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.119 8.994 6.517 1.00 0.00 H new ATOM 0 H1 DG A 1 -5.574 5.307 2.529 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.257 3.423 5.409 1.00 0.00 H new ATOM 0 H22 DG A 1 -6.446 3.580 3.660 1.00 0.00 H new ATOM 32 P DC A 2 -2.286 4.539 11.115 1.00 0.00 P ATOM 33 OP1 DC A 2 -2.793 3.962 12.380 1.00 0.00 O ATOM 34 OP2 DC A 2 -0.847 4.860 10.980 1.00 0.00 O ATOM 35 O5' DC A 2 -2.695 3.549 9.906 1.00 0.00 O ATOM 36 C5' DC A 2 -3.984 2.963 9.842 1.00 0.00 C ATOM 37 C4' DC A 2 -4.116 2.075 8.600 1.00 0.00 C ATOM 38 O4' DC A 2 -3.928 2.862 7.435 1.00 0.00 O ATOM 39 C3' DC A 2 -3.094 0.925 8.565 1.00 0.00 C ATOM 40 O3' DC A 2 -3.779 -0.298 8.339 1.00 0.00 O ATOM 41 C2' DC A 2 -2.197 1.320 7.395 1.00 0.00 C ATOM 42 C1' DC A 2 -3.162 2.111 6.517 1.00 0.00 C ATOM 43 N1 DC A 2 -2.462 3.026 5.573 1.00 0.00 N ATOM 44 C2 DC A 2 -2.680 2.895 4.199 1.00 0.00 C ATOM 45 O2 DC A 2 -3.345 1.971 3.736 1.00 0.00 O ATOM 46 N3 DC A 2 -2.133 3.823 3.363 1.00 0.00 N ATOM 47 C4 DC A 2 -1.382 4.830 3.833 1.00 0.00 C ATOM 48 N4 DC A 2 -0.912 5.739 2.974 1.00 0.00 N ATOM 49 C5 DC A 2 -1.106 4.959 5.235 1.00 0.00 C ATOM 50 C6 DC A 2 -1.670 4.041 6.055 1.00 0.00 C ATOM 0 H5' DC A 2 -4.743 3.745 9.818 1.00 0.00 H new ATOM 0 H5'' DC A 2 -4.164 2.371 10.739 1.00 0.00 H new ATOM 0 H4' DC A 2 -5.114 1.638 8.638 1.00 0.00 H new ATOM 0 H3' DC A 2 -2.526 0.778 9.483 1.00 0.00 H new ATOM 0 H2' DC A 2 -1.348 1.923 7.716 1.00 0.00 H new ATOM 0 H2'' DC A 2 -1.793 0.450 6.878 1.00 0.00 H new ATOM 0 H1' DC A 2 -3.755 1.446 5.890 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.339 6.512 3.312 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.126 5.660 1.980 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.479 5.750 5.618 1.00 0.00 H new ATOM 0 H6 DC A 2 -1.493 4.108 7.118 1.00 0.00 H new ATOM 62 P DA A 3 -3.014 -1.723 8.242 1.00 0.00 P ATOM 63 OP1 DA A 3 -3.917 -2.767 8.774 1.00 0.00 O ATOM 64 OP2 DA A 3 -1.655 -1.571 8.807 1.00 0.00 O ATOM 65 O5' DA A 3 -2.874 -1.942 6.648 1.00 0.00 O ATOM 66 C5' DA A 3 -4.011 -2.212 5.849 1.00 0.00 C ATOM 67 C4' DA A 3 -3.624 -2.399 4.379 1.00 0.00 C ATOM 68 O4' DA A 3 -3.072 -1.195 3.874 1.00 0.00 O ATOM 69 C3' DA A 3 -2.592 -3.519 4.166 1.00 0.00 C ATOM 70 O3' DA A 3 -3.039 -4.350 3.105 1.00 0.00 O ATOM 71 C2' DA A 3 -1.334 -2.729 3.809 1.00 0.00 C ATOM 72 C1' DA A 3 -1.932 -1.516 3.106 1.00 0.00 C ATOM 73 N9 DA A 3 -1.013 -0.356 3.087 1.00 0.00 N ATOM 74 C8 DA A 3 -0.416 0.271 4.152 1.00 0.00 C ATOM 75 N7 DA A 3 0.202 1.378 3.851 1.00 0.00 N ATOM 76 C5 DA A 3 0.019 1.486 2.480 1.00 0.00 C ATOM 77 C6 DA A 3 0.408 2.457 1.536 1.00 0.00 C ATOM 78 N6 DA A 3 1.062 3.572 1.872 1.00 0.00 N ATOM 79 N1 DA A 3 0.093 2.257 0.244 1.00 0.00 N ATOM 80 C2 DA A 3 -0.580 1.162 -0.097 1.00 0.00 C ATOM 81 N3 DA A 3 -1.019 0.186 0.693 1.00 0.00 N ATOM 82 C4 DA A 3 -0.689 0.414 1.994 1.00 0.00 C ATOM 0 H5' DA A 3 -4.724 -1.393 5.938 1.00 0.00 H new ATOM 0 H5'' DA A 3 -4.510 -3.110 6.213 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.538 -2.674 3.853 1.00 0.00 H new ATOM 0 H3' DA A 3 -2.428 -4.184 5.014 1.00 0.00 H new ATOM 0 H2' DA A 3 -0.759 -2.450 4.692 1.00 0.00 H new ATOM 0 H2'' DA A 3 -0.665 -3.293 3.159 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.148 -1.743 2.062 1.00 0.00 H new ATOM 0 H8 DA A 3 -0.455 -0.121 5.158 1.00 0.00 H new ATOM 0 H61 DA A 3 1.323 4.247 1.153 1.00 0.00 H new ATOM 0 H62 DA A 3 1.300 3.749 2.848 1.00 0.00 H new ATOM 0 H2 DA A 3 -0.798 1.051 -1.149 1.00 0.00 H new ATOM 94 P DT A 4 -2.188 -5.615 2.563 1.00 0.00 P ATOM 95 OP1 DT A 4 -3.140 -6.679 2.174 1.00 0.00 O ATOM 96 OP2 DT A 4 -1.106 -5.911 3.528 1.00 0.00 O ATOM 97 O5' DT A 4 -1.519 -5.021 1.221 1.00 0.00 O ATOM 98 C5' DT A 4 -2.311 -4.721 0.087 1.00 0.00 C ATOM 99 C4' DT A 4 -1.457 -4.107 -1.024 1.00 0.00 C ATOM 100 O4' DT A 4 -0.860 -2.908 -0.564 1.00 0.00 O ATOM 101 C3' DT A 4 -0.333 -5.035 -1.515 1.00 0.00 C ATOM 102 O3' DT A 4 -0.462 -5.174 -2.922 1.00 0.00 O ATOM 103 C2' DT A 4 0.929 -4.277 -1.096 1.00 0.00 C ATOM 104 C1' DT A 4 0.433 -2.835 -1.123 1.00 0.00 C ATOM 105 N1 DT A 4 1.276 -1.903 -0.325 1.00 0.00 N ATOM 106 C2 DT A 4 1.788 -0.762 -0.945 1.00 0.00 C ATOM 107 O2 DT A 4 1.630 -0.506 -2.135 1.00 0.00 O ATOM 108 N3 DT A 4 2.503 0.108 -0.133 1.00 0.00 N ATOM 109 C4 DT A 4 2.727 -0.040 1.226 1.00 0.00 C ATOM 110 O4 DT A 4 3.351 0.819 1.844 1.00 0.00 O ATOM 111 C5 DT A 4 2.162 -1.247 1.798 1.00 0.00 C ATOM 112 C7 DT A 4 2.366 -1.541 3.271 1.00 0.00 C ATOM 113 C6 DT A 4 1.467 -2.117 1.022 1.00 0.00 C ATOM 0 H5' DT A 4 -3.106 -4.029 0.366 1.00 0.00 H new ATOM 0 H5'' DT A 4 -2.792 -5.629 -0.277 1.00 0.00 H new ATOM 0 H4' DT A 4 -2.135 -3.927 -1.859 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.336 -6.048 -1.112 1.00 0.00 H new ATOM 0 H2' DT A 4 1.277 -4.574 -0.107 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.756 -4.441 -1.787 1.00 0.00 H new ATOM 0 H1' DT A 4 0.460 -2.438 -2.138 1.00 0.00 H new ATOM 0 H3 DT A 4 2.901 0.934 -0.579 1.00 0.00 H new ATOM 0 H71 DT A 4 1.517 -2.110 3.649 1.00 0.00 H new ATOM 0 H72 DT A 4 3.279 -2.121 3.403 1.00 0.00 H new ATOM 0 H73 DT A 4 2.449 -0.604 3.821 1.00 0.00 H new ATOM 0 H6 DT A 4 1.051 -3.005 1.475 1.00 0.00 H new ATOM 126 P DC A 5 0.540 -6.074 -3.817 1.00 0.00 P ATOM 127 OP1 DC A 5 -0.195 -6.530 -5.018 1.00 0.00 O ATOM 128 OP2 DC A 5 1.202 -7.062 -2.937 1.00 0.00 O ATOM 129 O5' DC A 5 1.639 -4.988 -4.274 1.00 0.00 O ATOM 130 C5' DC A 5 1.343 -4.018 -5.261 1.00 0.00 C ATOM 131 C4' DC A 5 2.496 -3.019 -5.377 1.00 0.00 C ATOM 132 O4' DC A 5 2.776 -2.431 -4.123 1.00 0.00 O ATOM 133 C3' DC A 5 3.811 -3.641 -5.871 1.00 0.00 C ATOM 134 O3' DC A 5 3.997 -3.342 -7.246 1.00 0.00 O ATOM 135 C2' DC A 5 4.866 -2.990 -4.970 1.00 0.00 C ATOM 136 C1' DC A 5 4.079 -1.909 -4.237 1.00 0.00 C ATOM 137 N1 DC A 5 4.656 -1.526 -2.918 1.00 0.00 N ATOM 138 C2 DC A 5 5.294 -0.289 -2.803 1.00 0.00 C ATOM 139 O2 DC A 5 5.485 0.431 -3.779 1.00 0.00 O ATOM 140 N3 DC A 5 5.720 0.117 -1.574 1.00 0.00 N ATOM 141 C4 DC A 5 5.554 -0.655 -0.493 1.00 0.00 C ATOM 142 N4 DC A 5 6.002 -0.206 0.684 1.00 0.00 N ATOM 143 C5 DC A 5 4.920 -1.940 -0.585 1.00 0.00 C ATOM 144 C6 DC A 5 4.486 -2.325 -1.809 1.00 0.00 C ATOM 0 H5' DC A 5 0.422 -3.495 -5.003 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.175 -4.505 -6.222 1.00 0.00 H new ATOM 0 H4' DC A 5 2.153 -2.287 -6.109 1.00 0.00 H new ATOM 0 H3' DC A 5 3.849 -4.729 -5.809 1.00 0.00 H new ATOM 0 H2' DC A 5 5.303 -3.709 -4.277 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.686 -2.567 -5.551 1.00 0.00 H new ATOM 0 H1' DC A 5 4.104 -0.971 -4.791 1.00 0.00 H new ATOM 0 H41 DC A 5 5.888 -0.774 1.523 1.00 0.00 H new ATOM 0 H42 DC A 5 6.457 0.705 0.742 1.00 0.00 H new ATOM 0 H5 DC A 5 4.795 -2.571 0.282 1.00 0.00 H new ATOM 0 H6 DC A 5 3.995 -3.281 -1.918 1.00 0.00 H new ATOM 156 P DG A 6 5.168 -4.022 -8.133 1.00 0.00 P ATOM 157 OP1 DG A 6 4.832 -3.821 -9.561 1.00 0.00 O ATOM 158 OP2 DG A 6 5.404 -5.391 -7.624 1.00 0.00 O ATOM 159 O5' DG A 6 6.475 -3.139 -7.800 1.00 0.00 O ATOM 160 C5' DG A 6 6.625 -1.821 -8.290 1.00 0.00 C ATOM 161 C4' DG A 6 7.888 -1.161 -7.724 1.00 0.00 C ATOM 162 O4' DG A 6 7.813 -1.114 -6.305 1.00 0.00 O ATOM 163 C3' DG A 6 9.183 -1.899 -8.091 1.00 0.00 C ATOM 164 O3' DG A 6 10.183 -0.903 -8.247 1.00 0.00 O ATOM 165 C2' DG A 6 9.382 -2.780 -6.860 1.00 0.00 C ATOM 166 C1' DG A 6 8.904 -1.837 -5.758 1.00 0.00 C ATOM 167 N9 DG A 6 8.506 -2.505 -4.496 1.00 0.00 N ATOM 168 C8 DG A 6 8.022 -3.775 -4.295 1.00 0.00 C ATOM 169 N7 DG A 6 7.793 -4.071 -3.047 1.00 0.00 N ATOM 170 C5 DG A 6 8.137 -2.914 -2.363 1.00 0.00 C ATOM 171 C6 DG A 6 8.122 -2.642 -0.962 1.00 0.00 C ATOM 172 O6 DG A 6 7.782 -3.389 -0.047 1.00 0.00 O ATOM 173 N1 DG A 6 8.561 -1.356 -0.667 1.00 0.00 N ATOM 174 C2 DG A 6 8.914 -0.413 -1.616 1.00 0.00 C ATOM 175 N2 DG A 6 9.225 0.805 -1.163 1.00 0.00 N ATOM 176 N3 DG A 6 8.925 -0.666 -2.936 1.00 0.00 N ATOM 177 C4 DG A 6 8.544 -1.937 -3.242 1.00 0.00 C ATOM 0 H5' DG A 6 5.750 -1.229 -8.022 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.677 -1.838 -9.379 1.00 0.00 H new ATOM 0 H4' DG A 6 7.925 -0.165 -8.166 1.00 0.00 H new ATOM 0 H3' DG A 6 9.192 -2.491 -9.006 1.00 0.00 H new ATOM 0 H2' DG A 6 8.792 -3.695 -6.906 1.00 0.00 H new ATOM 0 H2'' DG A 6 10.422 -3.078 -6.728 1.00 0.00 H new ATOM 0 H1' DG A 6 9.735 -1.196 -5.464 1.00 0.00 H new ATOM 0 H8 DG A 6 7.846 -4.469 -5.103 1.00 0.00 H new ATOM 0 H1 DG A 6 8.627 -1.090 0.315 1.00 0.00 H new ATOM 0 H21 DG A 6 9.493 1.540 -1.818 1.00 0.00 H new ATOM 0 H22 DG A 6 9.195 1.000 -0.162 1.00 0.00 H new ATOM 189 P DA A 7 11.737 -1.221 -8.558 1.00 0.00 P ATOM 190 OP1 DA A 7 12.188 -0.321 -9.642 1.00 0.00 O ATOM 191 OP2 DA A 7 11.925 -2.683 -8.686 1.00 0.00 O ATOM 192 O5' DA A 7 12.421 -0.736 -7.182 1.00 0.00 O ATOM 193 C5' DA A 7 12.398 0.631 -6.807 1.00 0.00 C ATOM 194 C4' DA A 7 12.926 0.810 -5.383 1.00 0.00 C ATOM 195 O4' DA A 7 12.127 0.024 -4.511 1.00 0.00 O ATOM 196 C3' DA A 7 14.388 0.361 -5.244 1.00 0.00 C ATOM 197 O3' DA A 7 15.226 1.341 -4.633 1.00 0.00 O ATOM 198 C2' DA A 7 14.270 -0.954 -4.478 1.00 0.00 C ATOM 199 C1' DA A 7 12.968 -0.766 -3.695 1.00 0.00 C ATOM 200 N9 DA A 7 12.311 -2.051 -3.371 1.00 0.00 N ATOM 201 C8 DA A 7 11.968 -3.080 -4.213 1.00 0.00 C ATOM 202 N7 DA A 7 11.397 -4.090 -3.618 1.00 0.00 N ATOM 203 C5 DA A 7 11.360 -3.707 -2.282 1.00 0.00 C ATOM 204 C6 DA A 7 10.879 -4.334 -1.113 1.00 0.00 C ATOM 205 N6 DA A 7 10.288 -5.534 -1.122 1.00 0.00 N ATOM 206 N1 DA A 7 10.994 -3.682 0.061 1.00 0.00 N ATOM 207 C2 DA A 7 11.548 -2.471 0.074 1.00 0.00 C ATOM 208 N3 DA A 7 12.029 -1.773 -0.951 1.00 0.00 N ATOM 209 C4 DA A 7 11.907 -2.459 -2.122 1.00 0.00 C ATOM 0 H5' DA A 7 11.380 1.014 -6.873 1.00 0.00 H new ATOM 0 H5'' DA A 7 13.004 1.214 -7.501 1.00 0.00 H new ATOM 0 H4' DA A 7 12.877 1.870 -5.134 1.00 0.00 H new ATOM 0 H3' DA A 7 14.892 0.227 -6.201 1.00 0.00 H new ATOM 0 H2' DA A 7 14.220 -1.811 -5.149 1.00 0.00 H new ATOM 0 H2'' DA A 7 15.121 -1.116 -3.817 1.00 0.00 H new ATOM 0 H1' DA A 7 13.176 -0.290 -2.737 1.00 0.00 H new ATOM 0 H8 DA A 7 12.155 -3.055 -5.276 1.00 0.00 H new ATOM 0 H61 DA A 7 9.957 -5.946 -0.250 1.00 0.00 H new ATOM 0 H62 DA A 7 10.169 -6.037 -2.001 1.00 0.00 H new ATOM 0 H2 DA A 7 11.615 -1.995 1.041 1.00 0.00 H new ATOM 221 P DC A 8 15.109 1.831 -3.092 1.00 0.00 P ATOM 222 OP1 DC A 8 15.771 0.823 -2.233 1.00 0.00 O ATOM 223 OP2 DC A 8 13.708 2.218 -2.814 1.00 0.00 O ATOM 224 O5' DC A 8 16.018 3.170 -3.073 1.00 0.00 O ATOM 225 C5' DC A 8 15.770 4.211 -2.145 1.00 0.00 C ATOM 226 C4' DC A 8 15.014 5.385 -2.792 1.00 0.00 C ATOM 227 O4' DC A 8 13.952 4.922 -3.617 1.00 0.00 O ATOM 228 C3' DC A 8 14.376 6.257 -1.705 1.00 0.00 C ATOM 229 O3' DC A 8 14.302 7.601 -2.164 1.00 0.00 O ATOM 230 C2' DC A 8 13.013 5.579 -1.602 1.00 0.00 C ATOM 231 C1' DC A 8 12.710 5.352 -3.083 1.00 0.00 C ATOM 232 N1 DC A 8 11.619 4.423 -3.507 1.00 0.00 N ATOM 233 C2 DC A 8 10.803 3.742 -2.592 1.00 0.00 C ATOM 234 O2 DC A 8 10.827 3.969 -1.385 1.00 0.00 O ATOM 235 N3 DC A 8 9.932 2.808 -3.072 1.00 0.00 N ATOM 236 C4 DC A 8 9.793 2.590 -4.387 1.00 0.00 C ATOM 237 N4 DC A 8 8.942 1.643 -4.793 1.00 0.00 N ATOM 238 C5 DC A 8 10.510 3.377 -5.347 1.00 0.00 C ATOM 239 C6 DC A 8 11.412 4.259 -4.857 1.00 0.00 C ATOM 0 H5' DC A 8 16.716 4.568 -1.738 1.00 0.00 H new ATOM 0 H5'' DC A 8 15.190 3.822 -1.309 1.00 0.00 H new ATOM 0 H4' DC A 8 15.738 5.945 -3.384 1.00 0.00 H new ATOM 0 H3' DC A 8 14.899 6.325 -0.751 1.00 0.00 H new ATOM 0 H2' DC A 8 13.054 4.647 -1.038 1.00 0.00 H new ATOM 0 H2'' DC A 8 12.269 6.212 -1.118 1.00 0.00 H new ATOM 0 H1' DC A 8 12.295 6.289 -3.456 1.00 0.00 H new ATOM 0 H41 DC A 8 8.820 1.460 -5.789 1.00 0.00 H new ATOM 0 H42 DC A 8 8.414 1.103 -4.107 1.00 0.00 H new ATOM 0 H5 DC A 8 10.339 3.271 -6.408 1.00 0.00 H new ATOM 0 H6 DC A 8 11.989 4.854 -5.549 1.00 0.00 H new ATOM 251 P DG A 9 13.603 8.789 -1.310 1.00 0.00 P ATOM 252 OP1 DG A 9 14.198 10.072 -1.746 1.00 0.00 O ATOM 253 OP2 DG A 9 13.630 8.419 0.122 1.00 0.00 O ATOM 254 O5' DG A 9 12.067 8.753 -1.814 1.00 0.00 O ATOM 255 C5' DG A 9 11.735 9.071 -3.152 1.00 0.00 C ATOM 256 C4' DG A 9 10.279 8.709 -3.477 1.00 0.00 C ATOM 257 O4' DG A 9 9.855 7.514 -2.835 1.00 0.00 O ATOM 258 C3' DG A 9 9.251 9.806 -3.142 1.00 0.00 C ATOM 259 O3' DG A 9 8.688 10.219 -4.380 1.00 0.00 O ATOM 260 C2' DG A 9 8.283 9.071 -2.210 1.00 0.00 C ATOM 261 C1' DG A 9 8.456 7.628 -2.660 1.00 0.00 C ATOM 262 N9 DG A 9 7.934 6.631 -1.692 1.00 0.00 N ATOM 263 C8 DG A 9 7.796 6.708 -0.325 1.00 0.00 C ATOM 264 N7 DG A 9 7.454 5.583 0.238 1.00 0.00 N ATOM 265 C5 DG A 9 7.292 4.709 -0.831 1.00 0.00 C ATOM 266 C6 DG A 9 6.891 3.340 -0.847 1.00 0.00 C ATOM 267 O6 DG A 9 6.743 2.582 0.109 1.00 0.00 O ATOM 268 N1 DG A 9 6.638 2.878 -2.136 1.00 0.00 N ATOM 269 C2 DG A 9 6.785 3.643 -3.281 1.00 0.00 C ATOM 270 N2 DG A 9 6.376 3.109 -4.436 1.00 0.00 N ATOM 271 N3 DG A 9 7.255 4.899 -3.272 1.00 0.00 N ATOM 272 C4 DG A 9 7.487 5.373 -2.019 1.00 0.00 C ATOM 0 H5' DG A 9 12.402 8.538 -3.829 1.00 0.00 H new ATOM 0 H5'' DG A 9 11.892 10.136 -3.323 1.00 0.00 H new ATOM 0 H4' DG A 9 10.300 8.577 -4.559 1.00 0.00 H new ATOM 0 H3' DG A 9 9.614 10.713 -2.659 1.00 0.00 H new ATOM 0 H2' DG A 9 8.544 9.206 -1.160 1.00 0.00 H new ATOM 0 H2'' DG A 9 7.256 9.417 -2.331 1.00 0.00 H new ATOM 0 H1' DG A 9 7.883 7.413 -3.562 1.00 0.00 H new ATOM 0 H8 DG A 9 7.957 7.619 0.232 1.00 0.00 H new ATOM 0 H1 DG A 9 6.324 1.914 -2.244 1.00 0.00 H new ATOM 0 H21 DG A 9 6.466 3.639 -5.303 1.00 0.00 H new ATOM 0 H22 DG A 9 5.974 2.172 -4.450 1.00 0.00 H new ATOM 284 P DA A 10 7.347 11.108 -4.523 1.00 0.00 P ATOM 285 OP1 DA A 10 7.477 11.948 -5.734 1.00 0.00 O ATOM 286 OP2 DA A 10 7.034 11.735 -3.219 1.00 0.00 O ATOM 287 O5' DA A 10 6.260 9.952 -4.823 1.00 0.00 O ATOM 288 C5' DA A 10 6.342 9.171 -6.004 1.00 0.00 C ATOM 289 C4' DA A 10 5.305 8.048 -5.992 1.00 0.00 C ATOM 290 O4' DA A 10 5.434 7.243 -4.838 1.00 0.00 O ATOM 291 C3' DA A 10 3.859 8.560 -6.024 1.00 0.00 C ATOM 292 O3' DA A 10 3.350 8.413 -7.340 1.00 0.00 O ATOM 293 C2' DA A 10 3.164 7.682 -4.979 1.00 0.00 C ATOM 294 C1' DA A 10 4.190 6.599 -4.664 1.00 0.00 C ATOM 295 N9 DA A 10 4.056 6.104 -3.277 1.00 0.00 N ATOM 296 C8 DA A 10 4.364 6.762 -2.113 1.00 0.00 C ATOM 297 N7 DA A 10 4.243 6.037 -1.038 1.00 0.00 N ATOM 298 C5 DA A 10 3.810 4.809 -1.522 1.00 0.00 C ATOM 299 C6 DA A 10 3.527 3.581 -0.892 1.00 0.00 C ATOM 300 N6 DA A 10 3.694 3.396 0.421 1.00 0.00 N ATOM 301 N1 DA A 10 3.102 2.552 -1.651 1.00 0.00 N ATOM 302 C2 DA A 10 2.972 2.731 -2.965 1.00 0.00 C ATOM 303 N3 DA A 10 3.226 3.827 -3.678 1.00 0.00 N ATOM 304 C4 DA A 10 3.656 4.847 -2.885 1.00 0.00 C ATOM 0 H5' DA A 10 7.342 8.746 -6.095 1.00 0.00 H new ATOM 0 H5'' DA A 10 6.185 9.806 -6.876 1.00 0.00 H new ATOM 0 H4' DA A 10 5.504 7.475 -6.898 1.00 0.00 H new ATOM 0 H3' DA A 10 3.723 9.616 -5.789 1.00 0.00 H new ATOM 0 H2' DA A 10 2.901 8.254 -4.089 1.00 0.00 H new ATOM 0 H2'' DA A 10 2.240 7.255 -5.368 1.00 0.00 H new ATOM 0 H1' DA A 10 4.066 5.725 -5.303 1.00 0.00 H new ATOM 0 H8 DA A 10 4.680 7.794 -2.090 1.00 0.00 H new ATOM 0 H61 DA A 10 3.478 2.492 0.840 1.00 0.00 H new ATOM 0 H62 DA A 10 4.038 4.159 1.004 1.00 0.00 H new ATOM 0 H2 DA A 10 2.615 1.878 -3.523 1.00 0.00 H new ATOM 316 P DT A 11 1.850 8.853 -7.756 1.00 0.00 P ATOM 317 OP1 DT A 11 1.833 9.105 -9.213 1.00 0.00 O ATOM 318 OP2 DT A 11 1.384 9.899 -6.819 1.00 0.00 O ATOM 319 O5' DT A 11 1.009 7.511 -7.470 1.00 0.00 O ATOM 320 C5' DT A 11 1.286 6.311 -8.165 1.00 0.00 C ATOM 321 C4' DT A 11 0.471 5.165 -7.564 1.00 0.00 C ATOM 322 O4' DT A 11 0.826 5.002 -6.199 1.00 0.00 O ATOM 323 C3' DT A 11 -1.043 5.421 -7.630 1.00 0.00 C ATOM 324 O3' DT A 11 -1.671 4.269 -8.170 1.00 0.00 O ATOM 325 C2' DT A 11 -1.396 5.652 -6.161 1.00 0.00 C ATOM 326 C1' DT A 11 -0.360 4.766 -5.472 1.00 0.00 C ATOM 327 N1 DT A 11 -0.154 5.062 -4.024 1.00 0.00 N ATOM 328 C2 DT A 11 -0.211 4.003 -3.116 1.00 0.00 C ATOM 329 O2 DT A 11 -0.507 2.852 -3.429 1.00 0.00 O ATOM 330 N3 DT A 11 0.090 4.309 -1.797 1.00 0.00 N ATOM 331 C4 DT A 11 0.443 5.552 -1.301 1.00 0.00 C ATOM 332 O4 DT A 11 0.719 5.688 -0.112 1.00 0.00 O ATOM 333 C5 DT A 11 0.458 6.605 -2.297 1.00 0.00 C ATOM 334 C7 DT A 11 0.773 8.022 -1.860 1.00 0.00 C ATOM 335 C6 DT A 11 0.169 6.333 -3.595 1.00 0.00 C ATOM 0 H5' DT A 11 2.350 6.083 -8.106 1.00 0.00 H new ATOM 0 H5'' DT A 11 1.043 6.427 -9.221 1.00 0.00 H new ATOM 0 H4' DT A 11 0.696 4.273 -8.149 1.00 0.00 H new ATOM 0 H3' DT A 11 -1.357 6.255 -8.258 1.00 0.00 H new ATOM 0 H2' DT A 11 -1.301 6.699 -5.873 1.00 0.00 H new ATOM 0 H2'' DT A 11 -2.417 5.350 -5.929 1.00 0.00 H new ATOM 0 H1' DT A 11 -0.690 3.727 -5.476 1.00 0.00 H new ATOM 0 H3 DT A 11 0.047 3.542 -1.126 1.00 0.00 H new ATOM 0 H71 DT A 11 0.440 8.168 -0.832 1.00 0.00 H new ATOM 0 H72 DT A 11 1.848 8.191 -1.921 1.00 0.00 H new ATOM 0 H73 DT A 11 0.257 8.727 -2.512 1.00 0.00 H new ATOM 0 H6 DT A 11 0.193 7.137 -4.315 1.00 0.00 H new ATOM 348 P DG A 12 -3.257 4.200 -8.477 1.00 0.00 P ATOM 349 OP1 DG A 12 -3.442 3.544 -9.790 1.00 0.00 O ATOM 350 OP2 DG A 12 -3.851 5.534 -8.232 1.00 0.00 O ATOM 351 O5' DG A 12 -3.789 3.197 -7.331 1.00 0.00 O ATOM 352 C5' DG A 12 -3.505 1.810 -7.384 1.00 0.00 C ATOM 353 C4' DG A 12 -4.121 1.074 -6.189 1.00 0.00 C ATOM 354 O4' DG A 12 -3.527 1.545 -4.988 1.00 0.00 O ATOM 355 C3' DG A 12 -5.639 1.282 -6.076 1.00 0.00 C ATOM 356 O3' DG A 12 -6.243 0.041 -5.735 1.00 0.00 O ATOM 357 C2' DG A 12 -5.718 2.305 -4.947 1.00 0.00 C ATOM 358 C1' DG A 12 -4.555 1.853 -4.068 1.00 0.00 C ATOM 359 N9 DG A 12 -4.087 2.899 -3.129 1.00 0.00 N ATOM 360 C8 DG A 12 -3.723 4.191 -3.411 1.00 0.00 C ATOM 361 N7 DG A 12 -3.212 4.839 -2.403 1.00 0.00 N ATOM 362 C5 DG A 12 -3.247 3.916 -1.366 1.00 0.00 C ATOM 363 C6 DG A 12 -2.807 4.042 -0.015 1.00 0.00 C ATOM 364 O6 DG A 12 -2.251 5.005 0.507 1.00 0.00 O ATOM 365 N1 DG A 12 -3.070 2.900 0.739 1.00 0.00 N ATOM 366 C2 DG A 12 -3.705 1.771 0.253 1.00 0.00 C ATOM 367 N2 DG A 12 -3.967 0.791 1.125 1.00 0.00 N ATOM 368 N3 DG A 12 -4.069 1.634 -1.032 1.00 0.00 N ATOM 369 C4 DG A 12 -3.817 2.737 -1.789 1.00 0.00 C ATOM 0 H5' DG A 12 -2.426 1.657 -7.392 1.00 0.00 H new ATOM 0 H5'' DG A 12 -3.894 1.391 -8.312 1.00 0.00 H new ATOM 0 H4' DG A 12 -3.933 0.012 -6.345 1.00 0.00 H new ATOM 0 H3' DG A 12 -6.149 1.618 -6.979 1.00 0.00 H new ATOM 0 H2' DG A 12 -5.592 3.327 -5.306 1.00 0.00 H new ATOM 0 H2'' DG A 12 -6.672 2.267 -4.421 1.00 0.00 H new ATOM 0 H1' DG A 12 -4.855 1.017 -3.436 1.00 0.00 H new ATOM 0 H8 DG A 12 -3.850 4.634 -4.388 1.00 0.00 H new ATOM 0 H1 DG A 12 -2.774 2.896 1.715 1.00 0.00 H new ATOM 0 H21 DG A 12 -4.434 -0.060 0.811 1.00 0.00 H new ATOM 0 H22 DG A 12 -3.700 0.895 2.104 1.00 0.00 H new ATOM 381 P DC A 13 -7.835 -0.126 -5.485 1.00 0.00 P ATOM 382 OP1 DC A 13 -8.205 -1.525 -5.793 1.00 0.00 O ATOM 383 OP2 DC A 13 -8.541 0.986 -6.158 1.00 0.00 O ATOM 384 O5' DC A 13 -7.968 0.086 -3.890 1.00 0.00 O ATOM 385 C5' DC A 13 -7.444 -0.862 -2.979 1.00 0.00 C ATOM 386 C4' DC A 13 -7.596 -0.361 -1.541 1.00 0.00 C ATOM 387 O4' DC A 13 -6.941 0.880 -1.375 1.00 0.00 O ATOM 388 C3' DC A 13 -9.054 -0.144 -1.108 1.00 0.00 C ATOM 389 O3' DC A 13 -9.397 -1.048 -0.079 1.00 0.00 O ATOM 390 C2' DC A 13 -9.068 1.288 -0.571 1.00 0.00 C ATOM 391 C1' DC A 13 -7.582 1.541 -0.306 1.00 0.00 C ATOM 392 N1 DC A 13 -7.189 2.979 -0.294 1.00 0.00 N ATOM 393 C2 DC A 13 -6.469 3.479 0.796 1.00 0.00 C ATOM 394 O2 DC A 13 -6.331 2.828 1.829 1.00 0.00 O ATOM 395 N3 DC A 13 -5.912 4.719 0.694 1.00 0.00 N ATOM 396 C4 DC A 13 -6.060 5.463 -0.412 1.00 0.00 C ATOM 397 N4 DC A 13 -5.444 6.647 -0.476 1.00 0.00 N ATOM 398 C5 DC A 13 -6.856 5.002 -1.512 1.00 0.00 C ATOM 399 C6 DC A 13 -7.394 3.764 -1.404 1.00 0.00 C ATOM 0 H5' DC A 13 -6.392 -1.043 -3.198 1.00 0.00 H new ATOM 0 H5'' DC A 13 -7.963 -1.814 -3.096 1.00 0.00 H new ATOM 0 H4' DC A 13 -7.157 -1.147 -0.927 1.00 0.00 H new ATOM 0 H3' DC A 13 -9.763 -0.302 -1.920 1.00 0.00 H new ATOM 0 H2' DC A 13 -9.479 1.992 -1.295 1.00 0.00 H new ATOM 0 H2'' DC A 13 -9.666 1.378 0.336 1.00 0.00 H new ATOM 0 HO3' DC A 13 -10.328 -0.899 0.190 1.00 0.00 H new ATOM 0 H1' DC A 13 -7.310 1.185 0.688 1.00 0.00 H new ATOM 0 H41 DC A 13 -5.543 7.229 -1.308 1.00 0.00 H new ATOM 0 H42 DC A 13 -4.875 6.969 0.307 1.00 0.00 H new ATOM 0 H5 DC A 13 -7.019 5.614 -2.387 1.00 0.00 H new ATOM 0 H6 DC A 13 -8.001 3.383 -2.212 1.00 0.00 H new TER 412 DC A 13