USER MOD reduce.3.24.130724 H: found=0, std=0, add=147, rem=0, adj=2 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 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= -0.0037 (180deg=-0.0037) USER MOD Single : A 13 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.229 9.008 11.321 1.00 0.00 O ATOM 2 C5' DG A 1 -3.306 8.528 12.098 1.00 0.00 C ATOM 3 C4' DG A 1 -3.890 7.248 11.489 1.00 0.00 C ATOM 4 O4' DG A 1 -4.375 7.525 10.184 1.00 0.00 O ATOM 5 C3' DG A 1 -2.854 6.118 11.376 1.00 0.00 C ATOM 6 O3' DG A 1 -3.446 4.909 11.827 1.00 0.00 O ATOM 7 C2' DG A 1 -2.568 6.101 9.876 1.00 0.00 C ATOM 8 C1' DG A 1 -3.932 6.496 9.323 1.00 0.00 C ATOM 9 N9 DG A 1 -3.836 6.980 7.928 1.00 0.00 N ATOM 10 C8 DG A 1 -3.123 8.046 7.440 1.00 0.00 C ATOM 11 N7 DG A 1 -3.224 8.212 6.152 1.00 0.00 N ATOM 12 C5 DG A 1 -4.073 7.188 5.749 1.00 0.00 C ATOM 13 C6 DG A 1 -4.555 6.853 4.448 1.00 0.00 C ATOM 14 O6 DG A 1 -4.308 7.415 3.384 1.00 0.00 O ATOM 15 N1 DG A 1 -5.397 5.744 4.462 1.00 0.00 N ATOM 16 C2 DG A 1 -5.721 5.024 5.597 1.00 0.00 C ATOM 17 N2 DG A 1 -6.486 3.941 5.435 1.00 0.00 N ATOM 18 N3 DG A 1 -5.275 5.343 6.822 1.00 0.00 N ATOM 19 C4 DG A 1 -4.458 6.431 6.831 1.00 0.00 C ATOM 0 H5' DG A 1 -4.081 9.291 12.164 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.967 8.330 13.115 1.00 0.00 H new ATOM 0 H4' DG A 1 -4.687 6.918 12.155 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.948 6.246 11.969 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.787 6.808 9.596 1.00 0.00 H new ATOM 0 H2'' DG A 1 -2.249 5.119 9.527 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.872 9.826 11.726 1.00 0.00 H new ATOM 0 H1' DG A 1 -4.619 5.650 9.292 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.529 8.692 8.070 1.00 0.00 H new ATOM 0 H1 DG A 1 -5.802 5.443 3.576 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.751 3.378 6.243 1.00 0.00 H new ATOM 0 H22 DG A 1 -6.805 3.677 4.503 1.00 0.00 H new ATOM 32 P DC A 2 -2.641 3.506 11.869 1.00 0.00 P ATOM 33 OP1 DC A 2 -3.177 2.705 12.992 1.00 0.00 O ATOM 34 OP2 DC A 2 -1.191 3.792 11.798 1.00 0.00 O ATOM 35 O5' DC A 2 -3.082 2.796 10.487 1.00 0.00 O ATOM 36 C5' DC A 2 -4.393 2.291 10.310 1.00 0.00 C ATOM 37 C4' DC A 2 -4.556 1.670 8.920 1.00 0.00 C ATOM 38 O4' DC A 2 -4.337 2.645 7.916 1.00 0.00 O ATOM 39 C3' DC A 2 -3.583 0.507 8.656 1.00 0.00 C ATOM 40 O3' DC A 2 -4.329 -0.662 8.351 1.00 0.00 O ATOM 41 C2' DC A 2 -2.778 1.014 7.459 1.00 0.00 C ATOM 42 C1' DC A 2 -3.768 1.977 6.811 1.00 0.00 C ATOM 43 N1 DC A 2 -3.102 2.928 5.878 1.00 0.00 N ATOM 44 C2 DC A 2 -3.374 2.844 4.510 1.00 0.00 C ATOM 45 O2 DC A 2 -4.126 1.983 4.061 1.00 0.00 O ATOM 46 N3 DC A 2 -2.783 3.741 3.669 1.00 0.00 N ATOM 47 C4 DC A 2 -1.950 4.683 4.135 1.00 0.00 C ATOM 48 N4 DC A 2 -1.402 5.543 3.271 1.00 0.00 N ATOM 49 C5 DC A 2 -1.656 4.790 5.536 1.00 0.00 C ATOM 50 C6 DC A 2 -2.252 3.895 6.359 1.00 0.00 C ATOM 0 H5' DC A 2 -5.117 3.095 10.441 1.00 0.00 H new ATOM 0 H5'' DC A 2 -4.605 1.543 11.074 1.00 0.00 H new ATOM 0 H4' DC A 2 -5.575 1.284 8.889 1.00 0.00 H new ATOM 0 H3' DC A 2 -2.942 0.239 9.496 1.00 0.00 H new ATOM 0 H2' DC A 2 -1.860 1.515 7.765 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.491 0.206 6.786 1.00 0.00 H new ATOM 0 H1' DC A 2 -4.505 1.465 6.192 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.766 6.267 3.606 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.620 5.476 2.277 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.990 5.550 5.916 1.00 0.00 H new ATOM 0 H6 DC A 2 -2.055 3.942 7.420 1.00 0.00 H new ATOM 62 P DA A 3 -3.636 -2.105 8.113 1.00 0.00 P ATOM 63 OP1 DA A 3 -4.636 -3.150 8.426 1.00 0.00 O ATOM 64 OP2 DA A 3 -2.325 -2.116 8.800 1.00 0.00 O ATOM 65 O5' DA A 3 -3.364 -2.129 6.522 1.00 0.00 O ATOM 66 C5' DA A 3 -4.421 -2.297 5.596 1.00 0.00 C ATOM 67 C4' DA A 3 -3.884 -2.300 4.162 1.00 0.00 C ATOM 68 O4' DA A 3 -3.362 -1.025 3.828 1.00 0.00 O ATOM 69 C3' DA A 3 -2.765 -3.332 3.938 1.00 0.00 C ATOM 70 O3' DA A 3 -3.145 -4.198 2.881 1.00 0.00 O ATOM 71 C2' DA A 3 -1.571 -2.446 3.579 1.00 0.00 C ATOM 72 C1' DA A 3 -2.266 -1.237 2.966 1.00 0.00 C ATOM 73 N9 DA A 3 -1.399 -0.038 2.924 1.00 0.00 N ATOM 74 C8 DA A 3 -0.866 0.667 3.975 1.00 0.00 C ATOM 75 N7 DA A 3 -0.241 1.758 3.630 1.00 0.00 N ATOM 76 C5 DA A 3 -0.359 1.778 2.246 1.00 0.00 C ATOM 77 C6 DA A 3 0.064 2.690 1.257 1.00 0.00 C ATOM 78 N6 DA A 3 0.703 3.830 1.540 1.00 0.00 N ATOM 79 N1 DA A 3 -0.203 2.406 -0.030 1.00 0.00 N ATOM 80 C2 DA A 3 -0.854 1.284 -0.328 1.00 0.00 C ATOM 81 N3 DA A 3 -1.310 0.353 0.505 1.00 0.00 N ATOM 82 C4 DA A 3 -1.034 0.667 1.801 1.00 0.00 C ATOM 0 H5' DA A 3 -5.148 -1.494 5.716 1.00 0.00 H new ATOM 0 H5'' DA A 3 -4.943 -3.233 5.797 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.732 -2.563 3.530 1.00 0.00 H new ATOM 0 H3' DA A 3 -2.547 -3.982 4.786 1.00 0.00 H new ATOM 0 H2' DA A 3 -0.980 -2.179 4.455 1.00 0.00 H new ATOM 0 H2'' DA A 3 -0.896 -2.932 2.875 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.545 -1.413 1.927 1.00 0.00 H new ATOM 0 H8 DA A 3 -0.957 0.345 5.002 1.00 0.00 H new ATOM 0 H61 DA A 3 0.988 4.456 0.786 1.00 0.00 H new ATOM 0 H62 DA A 3 0.906 4.074 2.509 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.035 1.107 -1.378 1.00 0.00 H new ATOM 94 P DT A 4 -2.210 -5.413 2.366 1.00 0.00 P ATOM 95 OP1 DT A 4 -3.088 -6.551 2.011 1.00 0.00 O ATOM 96 OP2 DT A 4 -1.106 -5.609 3.332 1.00 0.00 O ATOM 97 O5' DT A 4 -1.586 -4.811 1.005 1.00 0.00 O ATOM 98 C5' DT A 4 -2.401 -4.577 -0.128 1.00 0.00 C ATOM 99 C4' DT A 4 -1.578 -3.991 -1.277 1.00 0.00 C ATOM 100 O4' DT A 4 -1.025 -2.747 -0.884 1.00 0.00 O ATOM 101 C3' DT A 4 -0.419 -4.904 -1.715 1.00 0.00 C ATOM 102 O3' DT A 4 -0.507 -5.094 -3.120 1.00 0.00 O ATOM 103 C2' DT A 4 0.811 -4.096 -1.297 1.00 0.00 C ATOM 104 C1' DT A 4 0.280 -2.670 -1.417 1.00 0.00 C ATOM 105 N1 DT A 4 1.080 -1.670 -0.656 1.00 0.00 N ATOM 106 C2 DT A 4 1.598 -0.563 -1.333 1.00 0.00 C ATOM 107 O2 DT A 4 1.479 -0.391 -2.544 1.00 0.00 O ATOM 108 N3 DT A 4 2.274 0.370 -0.559 1.00 0.00 N ATOM 109 C4 DT A 4 2.444 0.322 0.816 1.00 0.00 C ATOM 110 O4 DT A 4 3.024 1.236 1.397 1.00 0.00 O ATOM 111 C5 DT A 4 1.880 -0.856 1.448 1.00 0.00 C ATOM 112 C7 DT A 4 2.029 -1.050 2.945 1.00 0.00 C ATOM 113 C6 DT A 4 1.231 -1.790 0.708 1.00 0.00 C ATOM 0 H5' DT A 4 -3.208 -3.892 0.134 1.00 0.00 H new ATOM 0 H5'' DT A 4 -2.866 -5.510 -0.446 1.00 0.00 H new ATOM 0 H4' DT A 4 -2.263 -3.880 -2.118 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.408 -5.903 -1.279 1.00 0.00 H new ATOM 0 H2' DT A 4 1.134 -4.332 -0.283 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.664 -4.275 -1.952 1.00 0.00 H new ATOM 0 H1' DT A 4 0.322 -2.330 -2.452 1.00 0.00 H new ATOM 0 H3 DT A 4 2.684 1.166 -1.048 1.00 0.00 H new ATOM 0 H71 DT A 4 1.176 -1.611 3.326 1.00 0.00 H new ATOM 0 H72 DT A 4 2.947 -1.601 3.151 1.00 0.00 H new ATOM 0 H73 DT A 4 2.072 -0.078 3.435 1.00 0.00 H new ATOM 0 H6 DT A 4 0.819 -2.656 1.205 1.00 0.00 H new ATOM 126 P DC A 5 0.506 -6.047 -3.946 1.00 0.00 P ATOM 127 OP1 DC A 5 -0.194 -6.515 -5.162 1.00 0.00 O ATOM 128 OP2 DC A 5 1.095 -7.032 -3.011 1.00 0.00 O ATOM 129 O5' DC A 5 1.665 -5.020 -4.394 1.00 0.00 O ATOM 130 C5' DC A 5 1.463 -4.112 -5.459 1.00 0.00 C ATOM 131 C4' DC A 5 2.620 -3.114 -5.537 1.00 0.00 C ATOM 132 O4' DC A 5 2.787 -2.441 -4.304 1.00 0.00 O ATOM 133 C3' DC A 5 3.983 -3.740 -5.871 1.00 0.00 C ATOM 134 O3' DC A 5 4.268 -3.594 -7.255 1.00 0.00 O ATOM 135 C2' DC A 5 4.950 -2.953 -4.982 1.00 0.00 C ATOM 136 C1' DC A 5 4.071 -1.867 -4.372 1.00 0.00 C ATOM 137 N1 DC A 5 4.560 -1.375 -3.054 1.00 0.00 N ATOM 138 C2 DC A 5 5.152 -0.111 -2.992 1.00 0.00 C ATOM 139 O2 DC A 5 5.339 0.563 -4.002 1.00 0.00 O ATOM 140 N3 DC A 5 5.537 0.373 -1.779 1.00 0.00 N ATOM 141 C4 DC A 5 5.364 -0.341 -0.660 1.00 0.00 C ATOM 142 N4 DC A 5 5.765 0.187 0.501 1.00 0.00 N ATOM 143 C5 DC A 5 4.767 -1.646 -0.696 1.00 0.00 C ATOM 144 C6 DC A 5 4.381 -2.114 -1.907 1.00 0.00 C ATOM 0 H5' DC A 5 0.523 -3.578 -5.317 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.381 -4.657 -6.399 1.00 0.00 H new ATOM 0 H4' DC A 5 2.334 -2.443 -6.347 1.00 0.00 H new ATOM 0 H3' DC A 5 4.040 -4.813 -5.686 1.00 0.00 H new ATOM 0 H2' DC A 5 5.395 -3.586 -4.215 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.770 -2.528 -5.560 1.00 0.00 H new ATOM 0 H1' DC A 5 4.079 -0.964 -4.982 1.00 0.00 H new ATOM 0 H41 DC A 5 5.644 -0.337 1.368 1.00 0.00 H new ATOM 0 H42 DC A 5 6.191 1.113 0.520 1.00 0.00 H new ATOM 0 H5 DC A 5 4.632 -2.229 0.203 1.00 0.00 H new ATOM 0 H6 DC A 5 3.922 -3.089 -1.974 1.00 0.00 H new ATOM 156 P DG A 6 5.541 -4.308 -7.961 1.00 0.00 P ATOM 157 OP1 DG A 6 5.314 -4.293 -9.424 1.00 0.00 O ATOM 158 OP2 DG A 6 5.797 -5.594 -7.275 1.00 0.00 O ATOM 159 O5' DG A 6 6.779 -3.324 -7.641 1.00 0.00 O ATOM 160 C5' DG A 6 6.890 -2.052 -8.250 1.00 0.00 C ATOM 161 C4' DG A 6 8.116 -1.288 -7.732 1.00 0.00 C ATOM 162 O4' DG A 6 8.008 -1.100 -6.328 1.00 0.00 O ATOM 163 C3' DG A 6 9.446 -2.006 -7.997 1.00 0.00 C ATOM 164 O3' DG A 6 10.421 -1.001 -8.233 1.00 0.00 O ATOM 165 C2' DG A 6 9.648 -2.763 -6.686 1.00 0.00 C ATOM 166 C1' DG A 6 9.082 -1.762 -5.681 1.00 0.00 C ATOM 167 N9 DG A 6 8.620 -2.358 -4.404 1.00 0.00 N ATOM 168 C8 DG A 6 8.089 -3.602 -4.165 1.00 0.00 C ATOM 169 N7 DG A 6 7.763 -3.818 -2.922 1.00 0.00 N ATOM 170 C5 DG A 6 8.090 -2.631 -2.282 1.00 0.00 C ATOM 171 C6 DG A 6 7.978 -2.275 -0.905 1.00 0.00 C ATOM 172 O6 DG A 6 7.554 -2.959 0.024 1.00 0.00 O ATOM 173 N1 DG A 6 8.426 -0.981 -0.653 1.00 0.00 N ATOM 174 C2 DG A 6 8.893 -0.113 -1.622 1.00 0.00 C ATOM 175 N2 DG A 6 9.248 1.110 -1.217 1.00 0.00 N ATOM 176 N3 DG A 6 8.997 -0.447 -2.920 1.00 0.00 N ATOM 177 C4 DG A 6 8.594 -1.721 -3.183 1.00 0.00 C ATOM 0 H5' DG A 6 5.988 -1.472 -8.053 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.963 -2.170 -9.331 1.00 0.00 H new ATOM 0 H4' DG A 6 8.125 -0.343 -8.274 1.00 0.00 H new ATOM 0 H3' DG A 6 9.493 -2.679 -8.853 1.00 0.00 H new ATOM 0 H2' DG A 6 9.111 -3.711 -6.670 1.00 0.00 H new ATOM 0 H2'' DG A 6 10.698 -2.988 -6.497 1.00 0.00 H new ATOM 0 H1' DG A 6 9.884 -1.084 -5.390 1.00 0.00 H new ATOM 0 H8 DG A 6 7.953 -4.339 -4.942 1.00 0.00 H new ATOM 0 H1 DG A 6 8.408 -0.651 0.312 1.00 0.00 H new ATOM 0 H21 DG A 6 9.599 1.789 -1.892 1.00 0.00 H new ATOM 0 H22 DG A 6 9.168 1.364 -0.233 1.00 0.00 H new ATOM 189 P DA A 7 12.001 -1.303 -8.393 1.00 0.00 P ATOM 190 OP1 DA A 7 12.549 -0.378 -9.409 1.00 0.00 O ATOM 191 OP2 DA A 7 12.204 -2.762 -8.541 1.00 0.00 O ATOM 192 O5' DA A 7 12.553 -0.851 -6.947 1.00 0.00 O ATOM 193 C5' DA A 7 12.528 0.512 -6.560 1.00 0.00 C ATOM 194 C4' DA A 7 12.995 0.679 -5.113 1.00 0.00 C ATOM 195 O4' DA A 7 12.138 -0.073 -4.270 1.00 0.00 O ATOM 196 C3' DA A 7 14.433 0.178 -4.904 1.00 0.00 C ATOM 197 O3' DA A 7 15.321 1.178 -4.410 1.00 0.00 O ATOM 198 C2' DA A 7 14.255 -1.035 -3.993 1.00 0.00 C ATOM 199 C1' DA A 7 12.922 -0.739 -3.304 1.00 0.00 C ATOM 200 N9 DA A 7 12.236 -1.971 -2.856 1.00 0.00 N ATOM 201 C8 DA A 7 11.896 -3.080 -3.591 1.00 0.00 C ATOM 202 N7 DA A 7 11.287 -4.010 -2.909 1.00 0.00 N ATOM 203 C5 DA A 7 11.212 -3.479 -1.627 1.00 0.00 C ATOM 204 C6 DA A 7 10.663 -3.958 -0.418 1.00 0.00 C ATOM 205 N6 DA A 7 10.033 -5.134 -0.323 1.00 0.00 N ATOM 206 N1 DA A 7 10.739 -3.176 0.676 1.00 0.00 N ATOM 207 C2 DA A 7 11.321 -1.982 0.578 1.00 0.00 C ATOM 208 N3 DA A 7 11.865 -1.416 -0.496 1.00 0.00 N ATOM 209 C4 DA A 7 11.779 -2.229 -1.585 1.00 0.00 C ATOM 0 H5' DA A 7 11.517 0.906 -6.668 1.00 0.00 H new ATOM 0 H5'' DA A 7 13.169 1.094 -7.222 1.00 0.00 H new ATOM 0 H4' DA A 7 12.967 1.742 -4.876 1.00 0.00 H new ATOM 0 H3' DA A 7 14.929 -0.091 -5.836 1.00 0.00 H new ATOM 0 H2' DA A 7 14.221 -1.966 -4.559 1.00 0.00 H new ATOM 0 H2'' DA A 7 15.071 -1.127 -3.276 1.00 0.00 H new ATOM 0 H1' DA A 7 13.081 -0.141 -2.407 1.00 0.00 H new ATOM 0 H8 DA A 7 12.114 -3.174 -4.644 1.00 0.00 H new ATOM 0 H61 DA A 7 9.652 -5.438 0.573 1.00 0.00 H new ATOM 0 H62 DA A 7 9.933 -5.727 -1.147 1.00 0.00 H new ATOM 0 H2 DA A 7 11.356 -1.399 1.486 1.00 0.00 H new ATOM 221 P DC A 8 15.257 1.828 -2.926 1.00 0.00 P ATOM 222 OP1 DC A 8 15.892 0.889 -1.975 1.00 0.00 O ATOM 223 OP2 DC A 8 13.883 2.312 -2.666 1.00 0.00 O ATOM 224 O5' DC A 8 16.235 3.110 -3.084 1.00 0.00 O ATOM 225 C5' DC A 8 16.054 4.281 -2.307 1.00 0.00 C ATOM 226 C4' DC A 8 15.320 5.385 -3.091 1.00 0.00 C ATOM 227 O4' DC A 8 14.248 4.850 -3.858 1.00 0.00 O ATOM 228 C3' DC A 8 14.700 6.395 -2.117 1.00 0.00 C ATOM 229 O3' DC A 8 14.647 7.674 -2.738 1.00 0.00 O ATOM 230 C2' DC A 8 13.324 5.758 -1.941 1.00 0.00 C ATOM 231 C1' DC A 8 13.025 5.392 -3.393 1.00 0.00 C ATOM 232 N1 DC A 8 11.885 4.494 -3.747 1.00 0.00 N ATOM 233 C2 DC A 8 11.077 3.870 -2.785 1.00 0.00 C ATOM 234 O2 DC A 8 11.149 4.131 -1.587 1.00 0.00 O ATOM 235 N3 DC A 8 10.159 2.953 -3.210 1.00 0.00 N ATOM 236 C4 DC A 8 9.979 2.694 -4.513 1.00 0.00 C ATOM 237 N4 DC A 8 9.091 1.763 -4.869 1.00 0.00 N ATOM 238 C5 DC A 8 10.697 3.421 -5.518 1.00 0.00 C ATOM 239 C6 DC A 8 11.637 4.290 -5.084 1.00 0.00 C ATOM 0 H5' DC A 8 17.025 4.653 -1.980 1.00 0.00 H new ATOM 0 H5'' DC A 8 15.487 4.036 -1.409 1.00 0.00 H new ATOM 0 H4' DC A 8 16.056 5.854 -3.744 1.00 0.00 H new ATOM 0 H3' DC A 8 15.225 6.569 -1.178 1.00 0.00 H new ATOM 0 H2' DC A 8 13.347 4.887 -1.286 1.00 0.00 H new ATOM 0 H2'' DC A 8 12.592 6.451 -1.525 1.00 0.00 H new ATOM 0 H1' DC A 8 12.662 6.305 -3.866 1.00 0.00 H new ATOM 0 H41 DC A 8 8.941 1.552 -5.856 1.00 0.00 H new ATOM 0 H42 DC A 8 8.563 1.262 -4.154 1.00 0.00 H new ATOM 0 H5 DC A 8 10.497 3.281 -6.570 1.00 0.00 H new ATOM 0 H6 DC A 8 12.213 4.843 -5.812 1.00 0.00 H new ATOM 251 P DG A 9 13.932 8.963 -2.060 1.00 0.00 P ATOM 252 OP1 DG A 9 14.509 10.179 -2.675 1.00 0.00 O ATOM 253 OP2 DG A 9 13.973 8.797 -0.590 1.00 0.00 O ATOM 254 O5' DG A 9 12.392 8.843 -2.543 1.00 0.00 O ATOM 255 C5' DG A 9 12.038 9.029 -3.902 1.00 0.00 C ATOM 256 C4' DG A 9 10.589 8.606 -4.185 1.00 0.00 C ATOM 257 O4' DG A 9 10.159 7.499 -3.404 1.00 0.00 O ATOM 258 C3' DG A 9 9.541 9.723 -4.011 1.00 0.00 C ATOM 259 O3' DG A 9 9.038 10.013 -5.307 1.00 0.00 O ATOM 260 C2' DG A 9 8.523 9.073 -3.068 1.00 0.00 C ATOM 261 C1' DG A 9 8.749 7.595 -3.344 1.00 0.00 C ATOM 262 N9 DG A 9 8.158 6.698 -2.320 1.00 0.00 N ATOM 263 C8 DG A 9 7.984 6.887 -0.969 1.00 0.00 C ATOM 264 N7 DG A 9 7.539 5.836 -0.338 1.00 0.00 N ATOM 265 C5 DG A 9 7.346 4.898 -1.345 1.00 0.00 C ATOM 266 C6 DG A 9 6.829 3.569 -1.276 1.00 0.00 C ATOM 267 O6 DG A 9 6.567 2.911 -0.272 1.00 0.00 O ATOM 268 N1 DG A 9 6.602 3.024 -2.538 1.00 0.00 N ATOM 269 C2 DG A 9 6.853 3.683 -3.729 1.00 0.00 C ATOM 270 N2 DG A 9 6.460 3.087 -4.860 1.00 0.00 N ATOM 271 N3 DG A 9 7.416 4.899 -3.792 1.00 0.00 N ATOM 272 C4 DG A 9 7.635 5.451 -2.569 1.00 0.00 C ATOM 0 H5' DG A 9 12.713 8.453 -4.534 1.00 0.00 H new ATOM 0 H5'' DG A 9 12.168 10.078 -4.170 1.00 0.00 H new ATOM 0 H4' DG A 9 10.637 8.331 -5.239 1.00 0.00 H new ATOM 0 H3' DG A 9 9.882 10.673 -3.599 1.00 0.00 H new ATOM 0 H2' DG A 9 8.710 9.328 -2.025 1.00 0.00 H new ATOM 0 H2'' DG A 9 7.502 9.380 -3.293 1.00 0.00 H new ATOM 0 H1' DG A 9 8.254 7.265 -4.257 1.00 0.00 H new ATOM 0 H8 DG A 9 8.197 7.823 -0.474 1.00 0.00 H new ATOM 0 H1 DG A 9 6.226 2.077 -2.587 1.00 0.00 H new ATOM 0 H21 DG A 9 6.626 3.539 -5.759 1.00 0.00 H new ATOM 0 H22 DG A 9 5.994 2.180 -4.823 1.00 0.00 H new ATOM 284 P DA A 10 7.702 10.874 -5.595 1.00 0.00 P ATOM 285 OP1 DA A 10 7.877 11.578 -6.884 1.00 0.00 O ATOM 286 OP2 DA A 10 7.344 11.639 -4.380 1.00 0.00 O ATOM 287 O5' DA A 10 6.622 9.690 -5.808 1.00 0.00 O ATOM 288 C5' DA A 10 6.765 8.764 -6.872 1.00 0.00 C ATOM 289 C4' DA A 10 5.673 7.692 -6.833 1.00 0.00 C ATOM 290 O4' DA A 10 5.722 6.966 -5.617 1.00 0.00 O ATOM 291 C3' DA A 10 4.250 8.256 -6.978 1.00 0.00 C ATOM 292 O3' DA A 10 3.678 7.762 -8.181 1.00 0.00 O ATOM 293 C2' DA A 10 3.557 7.723 -5.724 1.00 0.00 C ATOM 294 C1' DA A 10 4.411 6.512 -5.368 1.00 0.00 C ATOM 295 N9 DA A 10 4.244 6.116 -3.951 1.00 0.00 N ATOM 296 C8 DA A 10 4.572 6.830 -2.826 1.00 0.00 C ATOM 297 N7 DA A 10 4.339 6.204 -1.707 1.00 0.00 N ATOM 298 C5 DA A 10 3.821 4.981 -2.117 1.00 0.00 C ATOM 299 C6 DA A 10 3.391 3.838 -1.413 1.00 0.00 C ATOM 300 N6 DA A 10 3.421 3.760 -0.078 1.00 0.00 N ATOM 301 N1 DA A 10 2.940 2.782 -2.116 1.00 0.00 N ATOM 302 C2 DA A 10 2.915 2.856 -3.446 1.00 0.00 C ATOM 303 N3 DA A 10 3.292 3.868 -4.223 1.00 0.00 N ATOM 304 C4 DA A 10 3.747 4.920 -3.487 1.00 0.00 C ATOM 0 H5' DA A 10 7.745 8.289 -6.814 1.00 0.00 H new ATOM 0 H5'' DA A 10 6.723 9.293 -7.824 1.00 0.00 H new ATOM 0 H4' DA A 10 5.879 7.049 -7.689 1.00 0.00 H new ATOM 0 H3' DA A 10 4.179 9.341 -7.047 1.00 0.00 H new ATOM 0 H2' DA A 10 3.544 8.461 -4.922 1.00 0.00 H new ATOM 0 H2'' DA A 10 2.521 7.446 -5.919 1.00 0.00 H new ATOM 0 H1' DA A 10 4.142 5.624 -5.940 1.00 0.00 H new ATOM 0 H8 DA A 10 4.988 7.826 -2.865 1.00 0.00 H new ATOM 0 H61 DA A 10 3.100 2.913 0.391 1.00 0.00 H new ATOM 0 H62 DA A 10 3.765 4.548 0.471 1.00 0.00 H new ATOM 0 H2 DA A 10 2.541 1.983 -3.959 1.00 0.00 H new ATOM 316 P DT A 11 2.190 8.164 -8.675 1.00 0.00 P ATOM 317 OP1 DT A 11 2.174 8.135 -10.154 1.00 0.00 O ATOM 318 OP2 DT A 11 1.768 9.389 -7.959 1.00 0.00 O ATOM 319 O5' DT A 11 1.293 6.936 -8.138 1.00 0.00 O ATOM 320 C5' DT A 11 1.417 5.641 -8.695 1.00 0.00 C ATOM 321 C4' DT A 11 0.522 4.649 -7.947 1.00 0.00 C ATOM 322 O4' DT A 11 0.896 4.612 -6.580 1.00 0.00 O ATOM 323 C3' DT A 11 -0.972 5.010 -8.018 1.00 0.00 C ATOM 324 O3' DT A 11 -1.697 3.893 -8.513 1.00 0.00 O ATOM 325 C2' DT A 11 -1.302 5.325 -6.559 1.00 0.00 C ATOM 326 C1' DT A 11 -0.283 4.461 -5.821 1.00 0.00 C ATOM 327 N1 DT A 11 -0.054 4.889 -4.412 1.00 0.00 N ATOM 328 C2 DT A 11 -0.265 3.969 -3.385 1.00 0.00 C ATOM 329 O2 DT A 11 -0.672 2.824 -3.572 1.00 0.00 O ATOM 330 N3 DT A 11 0.007 4.414 -2.100 1.00 0.00 N ATOM 331 C4 DT A 11 0.487 5.663 -1.746 1.00 0.00 C ATOM 332 O4 DT A 11 0.726 5.920 -0.568 1.00 0.00 O ATOM 333 C5 DT A 11 0.675 6.565 -2.866 1.00 0.00 C ATOM 334 C7 DT A 11 1.154 7.981 -2.613 1.00 0.00 C ATOM 335 C6 DT A 11 0.402 6.158 -4.132 1.00 0.00 C ATOM 0 H5' DT A 11 2.455 5.314 -8.643 1.00 0.00 H new ATOM 0 H5'' DT A 11 1.143 5.664 -9.750 1.00 0.00 H new ATOM 0 H4' DT A 11 0.660 3.683 -8.432 1.00 0.00 H new ATOM 0 H3' DT A 11 -1.221 5.839 -8.681 1.00 0.00 H new ATOM 0 H2' DT A 11 -1.183 6.384 -6.331 1.00 0.00 H new ATOM 0 H2'' DT A 11 -2.327 5.058 -6.304 1.00 0.00 H new ATOM 0 H1' DT A 11 -0.629 3.430 -5.739 1.00 0.00 H new ATOM 0 H3 DT A 11 -0.164 3.755 -1.340 1.00 0.00 H new ATOM 0 H71 DT A 11 1.729 8.329 -3.471 1.00 0.00 H new ATOM 0 H72 DT A 11 0.295 8.634 -2.463 1.00 0.00 H new ATOM 0 H73 DT A 11 1.783 7.999 -1.723 1.00 0.00 H new ATOM 0 H6 DT A 11 0.547 6.852 -4.946 1.00 0.00 H new ATOM 348 P DG A 12 -3.302 3.914 -8.732 1.00 0.00 P ATOM 349 OP1 DG A 12 -3.609 3.147 -9.959 1.00 0.00 O ATOM 350 OP2 DG A 12 -3.783 5.308 -8.597 1.00 0.00 O ATOM 351 O5' DG A 12 -3.840 3.074 -7.464 1.00 0.00 O ATOM 352 C5' DG A 12 -3.643 1.674 -7.379 1.00 0.00 C ATOM 353 C4' DG A 12 -4.175 1.123 -6.052 1.00 0.00 C ATOM 354 O4' DG A 12 -3.495 1.747 -4.973 1.00 0.00 O ATOM 355 C3' DG A 12 -5.681 1.369 -5.858 1.00 0.00 C ATOM 356 O3' DG A 12 -6.270 0.181 -5.343 1.00 0.00 O ATOM 357 C2' DG A 12 -5.678 2.500 -4.834 1.00 0.00 C ATOM 358 C1' DG A 12 -4.460 2.108 -4.007 1.00 0.00 C ATOM 359 N9 DG A 12 -3.965 3.204 -3.144 1.00 0.00 N ATOM 360 C8 DG A 12 -3.579 4.474 -3.490 1.00 0.00 C ATOM 361 N7 DG A 12 -3.102 5.178 -2.501 1.00 0.00 N ATOM 362 C5 DG A 12 -3.192 4.321 -1.410 1.00 0.00 C ATOM 363 C6 DG A 12 -2.823 4.521 -0.045 1.00 0.00 C ATOM 364 O6 DG A 12 -2.261 5.493 0.452 1.00 0.00 O ATOM 365 N1 DG A 12 -3.179 3.444 0.765 1.00 0.00 N ATOM 366 C2 DG A 12 -3.799 2.296 0.309 1.00 0.00 C ATOM 367 N2 DG A 12 -4.138 1.373 1.214 1.00 0.00 N ATOM 368 N3 DG A 12 -4.074 2.078 -0.984 1.00 0.00 N ATOM 369 C4 DG A 12 -3.757 3.126 -1.788 1.00 0.00 C ATOM 0 H5' DG A 12 -2.581 1.447 -7.471 1.00 0.00 H new ATOM 0 H5'' DG A 12 -4.148 1.181 -8.210 1.00 0.00 H new ATOM 0 H4' DG A 12 -4.003 0.047 -6.074 1.00 0.00 H new ATOM 0 H3' DG A 12 -6.243 1.621 -6.757 1.00 0.00 H new ATOM 0 H2' DG A 12 -5.569 3.481 -5.297 1.00 0.00 H new ATOM 0 H2'' DG A 12 -6.592 2.527 -4.241 1.00 0.00 H new ATOM 0 H1' DG A 12 -4.696 1.304 -3.310 1.00 0.00 H new ATOM 0 H8 DG A 12 -3.663 4.858 -4.496 1.00 0.00 H new ATOM 0 H1 DG A 12 -2.968 3.507 1.761 1.00 0.00 H new ATOM 0 H21 DG A 12 -4.597 0.512 0.917 1.00 0.00 H new ATOM 0 H22 DG A 12 -3.937 1.529 2.202 1.00 0.00 H new ATOM 381 P DC A 13 -7.845 0.065 -4.987 1.00 0.00 P ATOM 382 OP1 DC A 13 -8.246 -1.352 -5.141 1.00 0.00 O ATOM 383 OP2 DC A 13 -8.574 1.116 -5.731 1.00 0.00 O ATOM 384 O5' DC A 13 -7.906 0.434 -3.413 1.00 0.00 O ATOM 385 C5' DC A 13 -7.468 -0.481 -2.426 1.00 0.00 C ATOM 386 C4' DC A 13 -7.670 0.089 -1.018 1.00 0.00 C ATOM 387 O4' DC A 13 -6.888 1.247 -0.813 1.00 0.00 O ATOM 388 C3' DC A 13 -9.119 0.492 -0.697 1.00 0.00 C ATOM 389 O3' DC A 13 -9.685 -0.403 0.237 1.00 0.00 O ATOM 390 C2' DC A 13 -8.978 1.885 -0.080 1.00 0.00 C ATOM 391 C1' DC A 13 -7.489 1.948 0.255 1.00 0.00 C ATOM 392 N1 DC A 13 -6.968 3.341 0.349 1.00 0.00 N ATOM 393 C2 DC A 13 -6.530 3.827 1.585 1.00 0.00 C ATOM 394 O2 DC A 13 -6.659 3.170 2.615 1.00 0.00 O ATOM 395 N3 DC A 13 -5.952 5.062 1.632 1.00 0.00 N ATOM 396 C4 DC A 13 -5.813 5.809 0.526 1.00 0.00 C ATOM 397 N4 DC A 13 -5.195 6.990 0.617 1.00 0.00 N ATOM 398 C5 DC A 13 -6.292 5.347 -0.746 1.00 0.00 C ATOM 399 C6 DC A 13 -6.854 4.117 -0.780 1.00 0.00 C ATOM 0 H5' DC A 13 -6.414 -0.711 -2.581 1.00 0.00 H new ATOM 0 H5'' DC A 13 -8.017 -1.418 -2.525 1.00 0.00 H new ATOM 0 H4' DC A 13 -7.373 -0.732 -0.365 1.00 0.00 H new ATOM 0 H3' DC A 13 -9.767 0.477 -1.573 1.00 0.00 H new ATOM 0 H2' DC A 13 -9.271 2.670 -0.778 1.00 0.00 H new ATOM 0 H2'' DC A 13 -9.599 2.000 0.808 1.00 0.00 H new ATOM 0 HO3' DC A 13 -10.606 -0.132 0.432 1.00 0.00 H new ATOM 0 H1' DC A 13 -7.275 1.522 1.235 1.00 0.00 H new ATOM 0 H41 DC A 13 -5.080 7.571 -0.214 1.00 0.00 H new ATOM 0 H42 DC A 13 -4.838 7.311 1.517 1.00 0.00 H new ATOM 0 H5 DC A 13 -6.208 5.954 -1.635 1.00 0.00 H new ATOM 0 H6 DC A 13 -7.223 3.734 -1.720 1.00 0.00 H new TER 412 DC A 13