USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 182 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 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 G O2' : rot -26:sc= 0.097 USER MOD Single : B 1 G O5' : rot 180:sc= 0 USER MOD Single : B 2 C O2' : rot 172:sc= -0.0243 USER MOD Single : B 3 C O2' : rot -24:sc= 0.0691 USER MOD Single : B 4 A O2' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl -30:sc= 0 (180deg=-0.316) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -11.869 -11.619 -2.515 1.00 0.00 O ATOM 2 C5' DG A 1 -11.643 -10.228 -2.435 1.00 0.00 C ATOM 3 C4' DG A 1 -10.854 -9.918 -1.153 1.00 0.00 C ATOM 4 O4' DG A 1 -9.479 -10.169 -1.363 1.00 0.00 O ATOM 5 C3' DG A 1 -10.962 -8.465 -0.641 1.00 0.00 C ATOM 6 O3' DG A 1 -11.569 -8.505 0.645 1.00 0.00 O ATOM 7 C2' DG A 1 -9.508 -7.982 -0.592 1.00 0.00 C ATOM 8 C1' DG A 1 -8.775 -9.315 -0.486 1.00 0.00 C ATOM 9 N9 DG A 1 -7.341 -9.268 -0.849 1.00 0.00 N ATOM 10 C8 DG A 1 -6.765 -9.167 -2.092 1.00 0.00 C ATOM 11 N7 DG A 1 -5.465 -9.274 -2.086 1.00 0.00 N ATOM 12 C5 DG A 1 -5.150 -9.491 -0.748 1.00 0.00 C ATOM 13 C6 DG A 1 -3.889 -9.736 -0.122 1.00 0.00 C ATOM 14 O6 DG A 1 -2.777 -9.758 -0.642 1.00 0.00 O ATOM 15 N1 DG A 1 -4.010 -9.983 1.245 1.00 0.00 N ATOM 16 C2 DG A 1 -5.211 -9.987 1.932 1.00 0.00 C ATOM 17 N2 DG A 1 -5.171 -10.214 3.247 1.00 0.00 N ATOM 18 N3 DG A 1 -6.392 -9.747 1.346 1.00 0.00 N ATOM 19 C4 DG A 1 -6.296 -9.510 0.011 1.00 0.00 C ATOM 0 H5' DG A 1 -12.593 -9.693 -2.431 1.00 0.00 H new ATOM 0 H5'' DG A 1 -11.089 -9.886 -3.309 1.00 0.00 H new ATOM 0 H4' DG A 1 -11.304 -10.566 -0.401 1.00 0.00 H new ATOM 0 H3' DG A 1 -11.565 -7.798 -1.257 1.00 0.00 H new ATOM 0 H2' DG A 1 -9.226 -7.424 -1.485 1.00 0.00 H new ATOM 0 H2'' DG A 1 -9.315 -7.334 0.263 1.00 0.00 H new ATOM 0 HO5' DG A 1 -12.373 -11.822 -3.330 1.00 0.00 H new ATOM 0 H1' DG A 1 -8.764 -9.649 0.552 1.00 0.00 H new ATOM 0 H8 DG A 1 -7.338 -9.013 -2.994 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.158 -10.173 1.773 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.035 -10.225 3.789 1.00 0.00 H new ATOM 0 H22 DG A 1 -4.276 -10.376 3.709 1.00 0.00 H new ATOM 32 P DC A 2 -11.838 -7.186 1.544 1.00 0.00 P ATOM 33 OP1 DC A 2 -12.994 -7.462 2.424 1.00 0.00 O ATOM 34 OP2 DC A 2 -11.862 -6.009 0.648 1.00 0.00 O ATOM 35 O5' DC A 2 -10.514 -7.087 2.467 1.00 0.00 O ATOM 36 C5' DC A 2 -10.267 -8.003 3.520 1.00 0.00 C ATOM 37 C4' DC A 2 -8.948 -7.660 4.224 1.00 0.00 C ATOM 38 O4' DC A 2 -7.858 -7.846 3.333 1.00 0.00 O ATOM 39 C3' DC A 2 -8.906 -6.208 4.727 1.00 0.00 C ATOM 40 O3' DC A 2 -8.442 -6.234 6.071 1.00 0.00 O ATOM 41 C2' DC A 2 -7.908 -5.604 3.744 1.00 0.00 C ATOM 42 C1' DC A 2 -6.958 -6.789 3.574 1.00 0.00 C ATOM 43 N1 DC A 2 -5.976 -6.640 2.464 1.00 0.00 N ATOM 44 C2 DC A 2 -4.629 -6.937 2.695 1.00 0.00 C ATOM 45 O2 DC A 2 -4.223 -7.300 3.797 1.00 0.00 O ATOM 46 N3 DC A 2 -3.751 -6.828 1.658 1.00 0.00 N ATOM 47 C4 DC A 2 -4.157 -6.453 0.438 1.00 0.00 C ATOM 48 N4 DC A 2 -3.252 -6.388 -0.543 1.00 0.00 N ATOM 49 C5 DC A 2 -5.540 -6.178 0.167 1.00 0.00 C ATOM 50 C6 DC A 2 -6.399 -6.288 1.208 1.00 0.00 C ATOM 0 H5' DC A 2 -10.224 -9.018 3.126 1.00 0.00 H new ATOM 0 H5'' DC A 2 -11.088 -7.974 4.236 1.00 0.00 H new ATOM 0 H4' DC A 2 -8.875 -8.327 5.083 1.00 0.00 H new ATOM 0 H3' DC A 2 -9.843 -5.651 4.753 1.00 0.00 H new ATOM 0 H2' DC A 2 -8.375 -5.306 2.805 1.00 0.00 H new ATOM 0 H2'' DC A 2 -7.408 -4.723 4.146 1.00 0.00 H new ATOM 0 H1' DC A 2 -6.311 -6.924 4.441 1.00 0.00 H new ATOM 0 H41 DC A 2 -3.536 -6.105 -1.481 1.00 0.00 H new ATOM 0 H42 DC A 2 -2.277 -6.621 -0.354 1.00 0.00 H new ATOM 0 H5 DC A 2 -5.879 -5.897 -0.819 1.00 0.00 H new ATOM 0 H6 DC A 2 -7.448 -6.093 1.044 1.00 0.00 H new ATOM 62 P DA A 3 -8.269 -4.919 6.993 1.00 0.00 P ATOM 63 OP1 DA A 3 -9.058 -5.117 8.229 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.492 -3.713 6.165 1.00 0.00 O ATOM 65 O5' DA A 3 -6.700 -4.984 7.374 1.00 0.00 O ATOM 66 C5' DA A 3 -6.185 -5.992 8.229 1.00 0.00 C ATOM 67 C4' DA A 3 -4.681 -5.792 8.460 1.00 0.00 C ATOM 68 O4' DA A 3 -3.998 -5.899 7.225 1.00 0.00 O ATOM 69 C3' DA A 3 -4.364 -4.420 9.064 1.00 0.00 C ATOM 70 O3' DA A 3 -3.346 -4.580 10.043 1.00 0.00 O ATOM 71 C2' DA A 3 -3.899 -3.646 7.840 1.00 0.00 C ATOM 72 C1' DA A 3 -3.188 -4.755 7.067 1.00 0.00 C ATOM 73 N9 DA A 3 -3.064 -4.475 5.624 1.00 0.00 N ATOM 74 C8 DA A 3 -4.079 -4.249 4.734 1.00 0.00 C ATOM 75 N7 DA A 3 -3.697 -4.140 3.493 1.00 0.00 N ATOM 76 C5 DA A 3 -2.324 -4.347 3.559 1.00 0.00 C ATOM 77 C6 DA A 3 -1.313 -4.416 2.578 1.00 0.00 C ATOM 78 N6 DA A 3 -1.552 -4.269 1.270 1.00 0.00 N ATOM 79 N1 DA A 3 -0.050 -4.656 2.976 1.00 0.00 N ATOM 80 C2 DA A 3 0.202 -4.822 4.272 1.00 0.00 C ATOM 81 N3 DA A 3 -0.656 -4.797 5.287 1.00 0.00 N ATOM 82 C4 DA A 3 -1.925 -4.553 4.858 1.00 0.00 C ATOM 0 H5' DA A 3 -6.363 -6.974 7.790 1.00 0.00 H new ATOM 0 H5'' DA A 3 -6.711 -5.969 9.184 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.357 -6.561 9.161 1.00 0.00 H new ATOM 0 H3' DA A 3 -5.184 -3.918 9.577 1.00 0.00 H new ATOM 0 H2' DA A 3 -4.730 -3.217 7.280 1.00 0.00 H new ATOM 0 H2'' DA A 3 -3.230 -2.825 8.098 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.173 -4.866 7.449 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.113 -4.168 5.036 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.784 -4.328 0.601 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.502 -4.098 0.941 1.00 0.00 H new ATOM 0 H2 DA A 3 1.235 -5.000 4.532 1.00 0.00 H new ATOM 94 P DG A 4 -2.717 -3.340 10.870 1.00 0.00 P ATOM 95 OP1 DG A 4 -2.266 -3.850 12.183 1.00 0.00 O ATOM 96 OP2 DG A 4 -3.666 -2.206 10.810 1.00 0.00 O ATOM 97 O5' DG A 4 -1.412 -2.953 10.000 1.00 0.00 O ATOM 98 C5' DG A 4 -0.248 -3.760 10.022 1.00 0.00 C ATOM 99 C4' DG A 4 0.851 -3.172 9.131 1.00 0.00 C ATOM 100 O4' DG A 4 0.450 -3.212 7.776 1.00 0.00 O ATOM 101 C3' DG A 4 1.193 -1.711 9.462 1.00 0.00 C ATOM 102 O3' DG A 4 2.492 -1.647 10.039 1.00 0.00 O ATOM 103 C2' DG A 4 1.121 -1.029 8.100 1.00 0.00 C ATOM 104 C1' DG A 4 1.158 -2.185 7.120 1.00 0.00 C ATOM 105 N9 DG A 4 0.518 -1.837 5.840 1.00 0.00 N ATOM 106 C8 DG A 4 -0.810 -1.627 5.599 1.00 0.00 C ATOM 107 N7 DG A 4 -1.103 -1.451 4.340 1.00 0.00 N ATOM 108 C5 DG A 4 0.129 -1.550 3.697 1.00 0.00 C ATOM 109 C6 DG A 4 0.452 -1.504 2.306 1.00 0.00 C ATOM 110 O6 DG A 4 -0.310 -1.346 1.356 1.00 0.00 O ATOM 111 N1 DG A 4 1.816 -1.669 2.073 1.00 0.00 N ATOM 112 C2 DG A 4 2.763 -1.852 3.064 1.00 0.00 C ATOM 113 N2 DG A 4 4.042 -1.957 2.693 1.00 0.00 N ATOM 114 N3 DG A 4 2.458 -1.914 4.368 1.00 0.00 N ATOM 115 C4 DG A 4 1.130 -1.762 4.615 1.00 0.00 C ATOM 0 H5' DG A 4 -0.494 -4.767 9.684 1.00 0.00 H new ATOM 0 H5'' DG A 4 0.118 -3.848 11.045 1.00 0.00 H new ATOM 0 H4' DG A 4 1.734 -3.783 9.314 1.00 0.00 H new ATOM 0 H3' DG A 4 0.530 -1.238 10.187 1.00 0.00 H new ATOM 0 H2' DG A 4 0.209 -0.442 7.993 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.958 -0.348 7.948 1.00 0.00 H new ATOM 0 H1' DG A 4 2.178 -2.472 6.862 1.00 0.00 H new ATOM 0 H8 DG A 4 -1.553 -1.608 6.383 1.00 0.00 H new ATOM 0 H1 DG A 4 2.138 -1.654 1.105 1.00 0.00 H new ATOM 0 H21 DG A 4 4.768 -2.093 3.397 1.00 0.00 H new ATOM 0 H22 DG A 4 4.293 -1.902 1.706 1.00 0.00 H new ATOM 127 P DT A 5 3.176 -0.265 10.545 1.00 0.00 P ATOM 128 OP1 DT A 5 4.323 -0.618 11.410 1.00 0.00 O ATOM 129 OP2 DT A 5 2.108 0.615 11.070 1.00 0.00 O ATOM 130 O5' DT A 5 3.761 0.413 9.197 1.00 0.00 O ATOM 131 C5' DT A 5 4.841 -0.161 8.480 1.00 0.00 C ATOM 132 C4' DT A 5 5.099 0.577 7.157 1.00 0.00 C ATOM 133 O4' DT A 5 4.040 0.382 6.235 1.00 0.00 O ATOM 134 C3' DT A 5 5.255 2.097 7.328 1.00 0.00 C ATOM 135 O3' DT A 5 6.594 2.457 7.007 1.00 0.00 O ATOM 136 C2' DT A 5 4.227 2.676 6.360 1.00 0.00 C ATOM 137 C1' DT A 5 4.018 1.518 5.392 1.00 0.00 C ATOM 138 N1 DT A 5 2.742 1.588 4.630 1.00 0.00 N ATOM 139 C2 DT A 5 2.777 1.495 3.236 1.00 0.00 C ATOM 140 O2 DT A 5 3.816 1.407 2.586 1.00 0.00 O ATOM 141 N3 DT A 5 1.551 1.502 2.590 1.00 0.00 N ATOM 142 C4 DT A 5 0.308 1.615 3.193 1.00 0.00 C ATOM 143 O4 DT A 5 -0.709 1.605 2.504 1.00 0.00 O ATOM 144 C5 DT A 5 0.355 1.701 4.643 1.00 0.00 C ATOM 145 C7 DT A 5 -0.934 1.830 5.432 1.00 0.00 C ATOM 146 C6 DT A 5 1.544 1.677 5.297 1.00 0.00 C ATOM 0 H5' DT A 5 4.626 -1.210 8.276 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.741 -0.134 9.094 1.00 0.00 H new ATOM 0 H4' DT A 5 6.032 0.152 6.788 1.00 0.00 H new ATOM 0 H3' DT A 5 5.083 2.468 8.338 1.00 0.00 H new ATOM 0 H2' DT A 5 3.303 2.957 6.866 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.598 3.568 5.855 1.00 0.00 H new ATOM 0 H1' DT A 5 4.781 1.514 4.614 1.00 0.00 H new ATOM 0 H3 DT A 5 1.565 1.416 1.574 1.00 0.00 H new ATOM 0 H71 DT A 5 -0.809 1.367 6.411 1.00 0.00 H new ATOM 0 H72 DT A 5 -1.179 2.885 5.558 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.741 1.332 4.895 1.00 0.00 H new ATOM 0 H6 DT A 5 1.549 1.730 6.376 1.00 0.00 H new ATOM 159 P DG A 6 7.137 3.982 7.047 1.00 0.00 P ATOM 160 OP1 DG A 6 8.602 3.939 7.252 1.00 0.00 O ATOM 161 OP2 DG A 6 6.289 4.753 7.983 1.00 0.00 O ATOM 162 O5' DG A 6 6.854 4.526 5.551 1.00 0.00 O ATOM 163 C5' DG A 6 7.655 4.135 4.450 1.00 0.00 C ATOM 164 C4' DG A 6 7.152 4.786 3.155 1.00 0.00 C ATOM 165 O4' DG A 6 5.878 4.283 2.807 1.00 0.00 O ATOM 166 C3' DG A 6 7.037 6.314 3.255 1.00 0.00 C ATOM 167 O3' DG A 6 7.920 6.874 2.288 1.00 0.00 O ATOM 168 C2' DG A 6 5.563 6.566 2.960 1.00 0.00 C ATOM 169 C1' DG A 6 5.183 5.330 2.166 1.00 0.00 C ATOM 170 N9 DG A 6 3.740 5.049 2.182 1.00 0.00 N ATOM 171 C8 DG A 6 2.926 4.881 3.265 1.00 0.00 C ATOM 172 N7 DG A 6 1.689 4.598 2.966 1.00 0.00 N ATOM 173 C5 DG A 6 1.687 4.572 1.573 1.00 0.00 C ATOM 174 C6 DG A 6 0.620 4.344 0.653 1.00 0.00 C ATOM 175 O6 DG A 6 -0.547 4.059 0.904 1.00 0.00 O ATOM 176 N1 DG A 6 1.020 4.489 -0.675 1.00 0.00 N ATOM 177 C2 DG A 6 2.309 4.793 -1.073 1.00 0.00 C ATOM 178 N2 DG A 6 2.531 4.951 -2.380 1.00 0.00 N ATOM 179 N3 DG A 6 3.320 4.968 -0.213 1.00 0.00 N ATOM 180 C4 DG A 6 2.941 4.853 1.087 1.00 0.00 C ATOM 0 H5' DG A 6 7.637 3.050 4.348 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.692 4.421 4.628 1.00 0.00 H new ATOM 0 H4' DG A 6 7.895 4.540 2.396 1.00 0.00 H new ATOM 0 H3' DG A 6 7.314 6.759 4.211 1.00 0.00 H new ATOM 0 H2' DG A 6 4.975 6.661 3.873 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.412 7.481 2.387 1.00 0.00 H new ATOM 0 H1' DG A 6 5.437 5.456 1.114 1.00 0.00 H new ATOM 0 H8 DG A 6 3.277 4.975 4.282 1.00 0.00 H new ATOM 0 H1 DG A 6 0.315 4.362 -1.401 1.00 0.00 H new ATOM 0 H21 DG A 6 3.468 5.176 -2.715 1.00 0.00 H new ATOM 0 H22 DG A 6 1.764 4.847 -3.044 1.00 0.00 H new ATOM 192 P DG A 7 7.978 8.449 1.927 1.00 0.00 P ATOM 193 OP1 DG A 7 9.321 8.744 1.381 1.00 0.00 O ATOM 194 OP2 DG A 7 7.475 9.214 3.090 1.00 0.00 O ATOM 195 O5' DG A 7 6.903 8.588 0.726 1.00 0.00 O ATOM 196 C5' DG A 7 7.147 8.049 -0.563 1.00 0.00 C ATOM 197 C4' DG A 7 5.998 8.404 -1.517 1.00 0.00 C ATOM 198 O4' DG A 7 4.806 7.735 -1.136 1.00 0.00 O ATOM 199 C3' DG A 7 5.712 9.913 -1.536 1.00 0.00 C ATOM 200 O3' DG A 7 5.789 10.385 -2.877 1.00 0.00 O ATOM 201 C2' DG A 7 4.289 9.956 -0.990 1.00 0.00 C ATOM 202 C1' DG A 7 3.734 8.605 -1.426 1.00 0.00 C ATOM 203 N9 DG A 7 2.506 8.205 -0.700 1.00 0.00 N ATOM 204 C8 DG A 7 2.356 7.989 0.643 1.00 0.00 C ATOM 205 N7 DG A 7 1.163 7.615 1.004 1.00 0.00 N ATOM 206 C5 DG A 7 0.458 7.567 -0.192 1.00 0.00 C ATOM 207 C6 DG A 7 -0.906 7.223 -0.434 1.00 0.00 C ATOM 208 O6 DG A 7 -1.743 6.838 0.377 1.00 0.00 O ATOM 209 N1 DG A 7 -1.267 7.388 -1.767 1.00 0.00 N ATOM 210 C2 DG A 7 -0.395 7.780 -2.765 1.00 0.00 C ATOM 211 N2 DG A 7 -0.915 7.968 -3.982 1.00 0.00 N ATOM 212 N3 DG A 7 0.904 8.043 -2.550 1.00 0.00 N ATOM 213 C4 DG A 7 1.268 7.933 -1.243 1.00 0.00 C ATOM 0 H5' DG A 7 7.252 6.966 -0.497 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.087 8.438 -0.955 1.00 0.00 H new ATOM 0 H4' DG A 7 6.313 8.087 -2.511 1.00 0.00 H new ATOM 0 H3' DG A 7 6.403 10.534 -0.966 1.00 0.00 H new ATOM 0 H2' DG A 7 4.272 10.072 0.094 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.718 10.785 -1.408 1.00 0.00 H new ATOM 0 H1' DG A 7 3.420 8.605 -2.470 1.00 0.00 H new ATOM 0 H8 DG A 7 3.164 8.119 1.348 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.237 7.208 -2.025 1.00 0.00 H new ATOM 0 H21 DG A 7 -0.315 8.258 -4.754 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.912 7.822 -4.139 1.00 0.00 H new ATOM 225 P DC A 8 5.460 11.916 -3.301 1.00 0.00 P ATOM 226 OP1 DC A 8 6.172 12.203 -4.566 1.00 0.00 O ATOM 227 OP2 DC A 8 5.683 12.785 -2.124 1.00 0.00 O ATOM 228 O5' DC A 8 3.869 11.900 -3.614 1.00 0.00 O ATOM 229 C5' DC A 8 3.347 11.214 -4.738 1.00 0.00 C ATOM 230 C4' DC A 8 1.839 11.434 -4.924 1.00 0.00 C ATOM 231 O4' DC A 8 1.120 10.722 -3.940 1.00 0.00 O ATOM 232 C3' DC A 8 1.366 12.895 -4.816 1.00 0.00 C ATOM 233 O3' DC A 8 1.070 13.415 -6.095 1.00 0.00 O ATOM 234 C2' DC A 8 0.100 12.822 -3.955 1.00 0.00 C ATOM 235 C1' DC A 8 -0.154 11.322 -3.814 1.00 0.00 C ATOM 236 N1 DC A 8 -0.758 10.996 -2.494 1.00 0.00 N ATOM 237 C2 DC A 8 -2.122 10.716 -2.410 1.00 0.00 C ATOM 238 O2 DC A 8 -2.841 10.775 -3.403 1.00 0.00 O ATOM 239 N3 DC A 8 -2.643 10.372 -1.195 1.00 0.00 N ATOM 240 C4 DC A 8 -1.866 10.297 -0.102 1.00 0.00 C ATOM 241 N4 DC A 8 -2.424 9.916 1.051 1.00 0.00 N ATOM 242 C5 DC A 8 -0.457 10.579 -0.167 1.00 0.00 C ATOM 243 C6 DC A 8 0.037 10.925 -1.379 1.00 0.00 C ATOM 0 H5' DC A 8 3.543 10.147 -4.630 1.00 0.00 H new ATOM 0 H5'' DC A 8 3.871 11.545 -5.635 1.00 0.00 H new ATOM 0 H4' DC A 8 1.650 11.089 -5.941 1.00 0.00 H new ATOM 0 H3' DC A 8 2.124 13.549 -4.385 1.00 0.00 H new ATOM 0 H2' DC A 8 0.247 13.296 -2.985 1.00 0.00 H new ATOM 0 H2'' DC A 8 -0.739 13.327 -4.433 1.00 0.00 H new ATOM 0 HO3' DC A 8 0.769 14.344 -6.009 1.00 0.00 H new ATOM 0 H1' DC A 8 -0.858 10.962 -4.565 1.00 0.00 H new ATOM 0 H41 DC A 8 -1.856 9.851 1.896 1.00 0.00 H new ATOM 0 H42 DC A 8 -3.418 9.690 1.086 1.00 0.00 H new ATOM 0 H5 DC A 8 0.175 10.518 0.707 1.00 0.00 H new ATOM 0 H6 DC A 8 1.089 11.152 -1.470 1.00 0.00 H new TER 256 DC A 8 ATOM 257 O5' G B 1 -12.610 6.817 0.177 1.00 0.00 O ATOM 258 C5' G B 1 -13.422 7.431 -0.801 1.00 0.00 C ATOM 259 C4' G B 1 -12.594 8.127 -1.886 1.00 0.00 C ATOM 260 O4' G B 1 -11.827 9.199 -1.346 1.00 0.00 O ATOM 261 C3' G B 1 -11.603 7.191 -2.579 1.00 0.00 C ATOM 262 O3' G B 1 -12.178 6.415 -3.615 1.00 0.00 O ATOM 263 C2' G B 1 -10.636 8.225 -3.118 1.00 0.00 C ATOM 264 O2' G B 1 -11.142 8.856 -4.279 1.00 0.00 O ATOM 265 C1' G B 1 -10.554 9.236 -1.984 1.00 0.00 C ATOM 266 N9 G B 1 -9.463 9.023 -1.009 1.00 0.00 N ATOM 267 C8 G B 1 -9.516 8.568 0.283 1.00 0.00 C ATOM 268 N7 G B 1 -8.383 8.652 0.925 1.00 0.00 N ATOM 269 C5 G B 1 -7.509 9.209 -0.004 1.00 0.00 C ATOM 270 C6 G B 1 -6.116 9.521 0.094 1.00 0.00 C ATOM 271 O6 G B 1 -5.368 9.368 1.057 1.00 0.00 O ATOM 272 N1 G B 1 -5.602 10.046 -1.091 1.00 0.00 N ATOM 273 C2 G B 1 -6.351 10.274 -2.232 1.00 0.00 C ATOM 274 N2 G B 1 -5.724 10.769 -3.301 1.00 0.00 N ATOM 275 N3 G B 1 -7.657 9.988 -2.323 1.00 0.00 N ATOM 276 C4 G B 1 -8.171 9.452 -1.183 1.00 0.00 C ATOM 0 H5' G B 1 -14.076 8.159 -0.322 1.00 0.00 H new ATOM 0 H5'' G B 1 -14.064 6.680 -1.262 1.00 0.00 H new ATOM 0 H4' G B 1 -13.329 8.484 -2.607 1.00 0.00 H new ATOM 0 H3' G B 1 -11.177 6.426 -1.930 1.00 0.00 H new ATOM 0 H2' G B 1 -9.678 7.790 -3.403 1.00 0.00 H new ATOM 0 HO2' G B 1 -11.766 8.252 -4.734 1.00 0.00 H new ATOM 0 HO5' G B 1 -13.177 6.387 0.850 1.00 0.00 H new ATOM 0 H1' G B 1 -10.309 10.210 -2.407 1.00 0.00 H new ATOM 0 H8 G B 1 -10.417 8.174 0.730 1.00 0.00 H new ATOM 0 H1 G B 1 -4.609 10.277 -1.119 1.00 0.00 H new ATOM 0 H21 G B 1 -6.245 10.950 -4.159 1.00 0.00 H new ATOM 0 H22 G B 1 -4.724 10.967 -3.260 1.00 0.00 H new ATOM 289 P C B 2 -11.430 5.106 -4.198 1.00 0.00 P ATOM 290 OP1 C B 2 -12.174 4.655 -5.395 1.00 0.00 O ATOM 291 OP2 C B 2 -11.235 4.174 -3.066 1.00 0.00 O ATOM 292 O5' C B 2 -9.968 5.616 -4.668 1.00 0.00 O ATOM 293 C5' C B 2 -9.734 6.213 -5.934 1.00 0.00 C ATOM 294 C4' C B 2 -8.260 6.633 -6.049 1.00 0.00 C ATOM 295 O4' C B 2 -7.866 7.453 -4.951 1.00 0.00 O ATOM 296 C3' C B 2 -7.322 5.430 -6.009 1.00 0.00 C ATOM 297 O3' C B 2 -7.134 4.776 -7.258 1.00 0.00 O ATOM 298 C2' C B 2 -6.045 6.094 -5.528 1.00 0.00 C ATOM 299 O2' C B 2 -5.260 6.550 -6.614 1.00 0.00 O ATOM 300 C1' C B 2 -6.465 7.328 -4.743 1.00 0.00 C ATOM 301 N1 C B 2 -6.042 7.199 -3.320 1.00 0.00 N ATOM 302 C2 C B 2 -4.676 7.314 -3.039 1.00 0.00 C ATOM 303 O2 C B 2 -3.880 7.708 -3.890 1.00 0.00 O ATOM 304 N3 C B 2 -4.230 6.961 -1.800 1.00 0.00 N ATOM 305 C4 C B 2 -5.080 6.521 -0.861 1.00 0.00 C ATOM 306 N4 C B 2 -4.590 6.177 0.333 1.00 0.00 N ATOM 307 C5 C B 2 -6.495 6.477 -1.099 1.00 0.00 C ATOM 308 C6 C B 2 -6.926 6.836 -2.332 1.00 0.00 C ATOM 0 H5' C B 2 -10.380 7.082 -6.061 1.00 0.00 H new ATOM 0 H5'' C B 2 -9.984 5.511 -6.729 1.00 0.00 H new ATOM 0 H4' C B 2 -8.186 7.163 -6.998 1.00 0.00 H new ATOM 0 H3' C B 2 -7.702 4.619 -5.387 1.00 0.00 H new ATOM 0 H2' C B 2 -5.466 5.379 -4.944 1.00 0.00 H new ATOM 0 HO2' C B 2 -4.515 7.089 -6.275 1.00 0.00 H new ATOM 0 H1' C B 2 -5.982 8.247 -5.075 1.00 0.00 H new ATOM 0 H41 C B 2 -5.217 5.839 1.063 1.00 0.00 H new ATOM 0 H42 C B 2 -3.589 6.252 0.514 1.00 0.00 H new ATOM 0 H5 C B 2 -7.186 6.171 -0.328 1.00 0.00 H new ATOM 0 H6 C B 2 -7.985 6.837 -2.543 1.00 0.00 H new ATOM 320 P C B 3 -6.199 3.452 -7.399 1.00 0.00 P ATOM 321 OP1 C B 3 -6.487 2.846 -8.718 1.00 0.00 O ATOM 322 OP2 C B 3 -6.386 2.641 -6.176 1.00 0.00 O ATOM 323 O5' C B 3 -4.653 3.956 -7.412 1.00 0.00 O ATOM 324 C5' C B 3 -4.056 4.527 -8.567 1.00 0.00 C ATOM 325 C4' C B 3 -2.578 4.901 -8.351 1.00 0.00 C ATOM 326 O4' C B 3 -2.387 5.862 -7.312 1.00 0.00 O ATOM 327 C3' C B 3 -1.703 3.703 -7.978 1.00 0.00 C ATOM 328 O3' C B 3 -1.307 2.924 -9.095 1.00 0.00 O ATOM 329 C2' C B 3 -0.530 4.444 -7.360 1.00 0.00 C ATOM 330 O2' C B 3 0.275 5.051 -8.353 1.00 0.00 O ATOM 331 C1' C B 3 -1.209 5.550 -6.561 1.00 0.00 C ATOM 332 N1 C B 3 -1.519 5.124 -5.164 1.00 0.00 N ATOM 333 C2 C B 3 -0.460 4.892 -4.284 1.00 0.00 C ATOM 334 O2 C B 3 0.701 5.103 -4.627 1.00 0.00 O ATOM 335 N3 C B 3 -0.737 4.439 -3.025 1.00 0.00 N ATOM 336 C4 C B 3 -2.000 4.203 -2.638 1.00 0.00 C ATOM 337 N4 C B 3 -2.235 3.762 -1.399 1.00 0.00 N ATOM 338 C5 C B 3 -3.105 4.479 -3.507 1.00 0.00 C ATOM 339 C6 C B 3 -2.809 4.940 -4.744 1.00 0.00 C ATOM 0 H5' C B 3 -4.613 5.418 -8.856 1.00 0.00 H new ATOM 0 H5'' C B 3 -4.131 3.822 -9.395 1.00 0.00 H new ATOM 0 H4' C B 3 -2.283 5.311 -9.317 1.00 0.00 H new ATOM 0 H3' C B 3 -2.192 2.966 -7.341 1.00 0.00 H new ATOM 0 H2' C B 3 0.114 3.783 -6.780 1.00 0.00 H new ATOM 0 HO2' C B 3 0.152 4.583 -9.205 1.00 0.00 H new ATOM 0 H1' C B 3 -0.566 6.421 -6.437 1.00 0.00 H new ATOM 0 H41 C B 3 -3.192 3.580 -1.095 1.00 0.00 H new ATOM 0 H42 C B 3 -1.458 3.608 -0.757 1.00 0.00 H new ATOM 0 H5 C B 3 -4.126 4.326 -3.190 1.00 0.00 H new ATOM 0 H6 C B 3 -3.617 5.170 -5.423 1.00 0.00 H new ATOM 351 P A B 4 -0.661 1.448 -8.927 1.00 0.00 P ATOM 352 OP1 A B 4 -0.266 0.976 -10.272 1.00 0.00 O ATOM 353 OP2 A B 4 -1.597 0.640 -8.116 1.00 0.00 O ATOM 354 O5' A B 4 0.683 1.656 -8.053 1.00 0.00 O ATOM 355 C5' A B 4 1.897 2.122 -8.615 1.00 0.00 C ATOM 356 C4' A B 4 2.949 2.287 -7.510 1.00 0.00 C ATOM 357 O4' A B 4 2.442 3.018 -6.399 1.00 0.00 O ATOM 358 C3' A B 4 3.429 0.940 -6.982 1.00 0.00 C ATOM 359 O3' A B 4 4.449 0.402 -7.810 1.00 0.00 O ATOM 360 C2' A B 4 3.921 1.374 -5.610 1.00 0.00 C ATOM 361 O2' A B 4 5.242 1.866 -5.639 1.00 0.00 O ATOM 362 C1' A B 4 2.949 2.462 -5.193 1.00 0.00 C ATOM 363 N9 A B 4 1.859 1.979 -4.308 1.00 0.00 N ATOM 364 C8 A B 4 0.526 1.779 -4.579 1.00 0.00 C ATOM 365 N7 A B 4 -0.194 1.477 -3.533 1.00 0.00 N ATOM 366 C5 A B 4 0.722 1.477 -2.488 1.00 0.00 C ATOM 367 C6 A B 4 0.599 1.282 -1.094 1.00 0.00 C ATOM 368 N6 A B 4 -0.571 1.061 -0.485 1.00 0.00 N ATOM 369 N1 A B 4 1.711 1.351 -0.337 1.00 0.00 N ATOM 370 C2 A B 4 2.879 1.606 -0.922 1.00 0.00 C ATOM 371 N3 A B 4 3.123 1.823 -2.212 1.00 0.00 N ATOM 372 C4 A B 4 1.983 1.750 -2.956 1.00 0.00 C ATOM 0 H5' A B 4 1.733 3.074 -9.120 1.00 0.00 H new ATOM 0 H5'' A B 4 2.254 1.419 -9.368 1.00 0.00 H new ATOM 0 H4' A B 4 3.774 2.829 -7.972 1.00 0.00 H new ATOM 0 H3' A B 4 2.691 0.138 -6.954 1.00 0.00 H new ATOM 0 H2' A B 4 3.950 0.536 -4.914 1.00 0.00 H new ATOM 0 HO2' A B 4 5.512 2.133 -4.735 1.00 0.00 H new ATOM 0 H1' A B 4 3.465 3.208 -4.589 1.00 0.00 H new ATOM 0 H8 A B 4 0.110 1.864 -5.572 1.00 0.00 H new ATOM 0 H61 A B 4 -0.603 0.927 0.526 1.00 0.00 H new ATOM 0 H62 A B 4 -1.432 1.027 -1.031 1.00 0.00 H new ATOM 0 H2 A B 4 3.737 1.641 -0.267 1.00 0.00 H new ATOM 384 P DC B 5 4.813 -1.171 -7.833 1.00 0.00 P ATOM 385 OP1 DC B 5 5.932 -1.367 -8.781 1.00 0.00 O ATOM 386 OP2 DC B 5 3.554 -1.926 -8.022 1.00 0.00 O ATOM 387 O5' DC B 5 5.352 -1.479 -6.350 1.00 0.00 O ATOM 388 C5' DC B 5 6.649 -1.106 -5.914 1.00 0.00 C ATOM 389 C4' DC B 5 6.687 -1.312 -4.397 1.00 0.00 C ATOM 390 O4' DC B 5 5.522 -0.745 -3.830 1.00 0.00 O ATOM 391 C3' DC B 5 6.724 -2.795 -4.032 1.00 0.00 C ATOM 392 O3' DC B 5 8.047 -3.162 -3.657 1.00 0.00 O ATOM 393 C2' DC B 5 5.731 -2.884 -2.889 1.00 0.00 C ATOM 394 C1' DC B 5 5.190 -1.479 -2.671 1.00 0.00 C ATOM 395 N1 DC B 5 3.729 -1.548 -2.397 1.00 0.00 N ATOM 396 C2 DC B 5 3.321 -1.835 -1.095 1.00 0.00 C ATOM 397 O2 DC B 5 4.139 -1.974 -0.190 1.00 0.00 O ATOM 398 N3 DC B 5 1.989 -1.965 -0.840 1.00 0.00 N ATOM 399 C4 DC B 5 1.080 -1.860 -1.819 1.00 0.00 C ATOM 400 N4 DC B 5 -0.213 -1.974 -1.502 1.00 0.00 N ATOM 401 C5 DC B 5 1.478 -1.607 -3.175 1.00 0.00 C ATOM 402 C6 DC B 5 2.803 -1.465 -3.408 1.00 0.00 C ATOM 0 H5' DC B 5 6.857 -0.067 -6.167 1.00 0.00 H new ATOM 0 H5'' DC B 5 7.410 -1.712 -6.405 1.00 0.00 H new ATOM 0 H4' DC B 5 7.589 -0.836 -4.013 1.00 0.00 H new ATOM 0 H3' DC B 5 6.463 -3.476 -4.842 1.00 0.00 H new ATOM 0 H2' DC B 5 4.924 -3.576 -3.130 1.00 0.00 H new ATOM 0 H2'' DC B 5 6.213 -3.258 -1.986 1.00 0.00 H new ATOM 0 H1' DC B 5 5.624 -0.980 -1.805 1.00 0.00 H new ATOM 0 H41 DC B 5 -0.925 -1.898 -2.229 1.00 0.00 H new ATOM 0 H42 DC B 5 -0.488 -2.137 -0.533 1.00 0.00 H new ATOM 0 H5 DC B 5 0.753 -1.533 -3.972 1.00 0.00 H new ATOM 0 H6 DC B 5 3.142 -1.281 -4.417 1.00 0.00 H new ATOM 414 P DT B 6 8.479 -4.679 -3.284 1.00 0.00 P ATOM 415 OP1 DT B 6 9.956 -4.749 -3.324 1.00 0.00 O ATOM 416 OP2 DT B 6 7.681 -5.604 -4.119 1.00 0.00 O ATOM 417 O5' DT B 6 8.017 -4.878 -1.748 1.00 0.00 O ATOM 418 C5' DT B 6 8.590 -4.136 -0.682 1.00 0.00 C ATOM 419 C4' DT B 6 7.882 -4.517 0.624 1.00 0.00 C ATOM 420 O4' DT B 6 6.496 -4.275 0.484 1.00 0.00 O ATOM 421 C3' DT B 6 8.090 -5.989 0.998 1.00 0.00 C ATOM 422 O3' DT B 6 8.582 -6.057 2.334 1.00 0.00 O ATOM 423 C2' DT B 6 6.675 -6.540 0.876 1.00 0.00 C ATOM 424 C1' DT B 6 5.828 -5.303 1.171 1.00 0.00 C ATOM 425 N1 DT B 6 4.418 -5.377 0.709 1.00 0.00 N ATOM 426 C2 DT B 6 3.387 -5.118 1.614 1.00 0.00 C ATOM 427 O2 DT B 6 3.557 -5.001 2.825 1.00 0.00 O ATOM 428 N3 DT B 6 2.115 -4.998 1.074 1.00 0.00 N ATOM 429 C4 DT B 6 1.777 -5.140 -0.263 1.00 0.00 C ATOM 430 O4 DT B 6 0.606 -5.025 -0.618 1.00 0.00 O ATOM 431 C5 DT B 6 2.904 -5.412 -1.137 1.00 0.00 C ATOM 432 C7 DT B 6 2.670 -5.558 -2.628 1.00 0.00 C ATOM 433 C6 DT B 6 4.158 -5.517 -0.630 1.00 0.00 C ATOM 0 H5' DT B 6 8.487 -3.067 -0.869 1.00 0.00 H new ATOM 0 H5'' DT B 6 9.657 -4.346 -0.608 1.00 0.00 H new ATOM 0 H4' DT B 6 8.313 -3.909 1.419 1.00 0.00 H new ATOM 0 H3' DT B 6 8.807 -6.538 0.387 1.00 0.00 H new ATOM 0 H2' DT B 6 6.478 -6.942 -0.118 1.00 0.00 H new ATOM 0 H2'' DT B 6 6.487 -7.343 1.588 1.00 0.00 H new ATOM 0 H1' DT B 6 5.741 -5.164 2.249 1.00 0.00 H new ATOM 0 H3 DT B 6 1.357 -4.785 1.722 1.00 0.00 H new ATOM 0 H71 DT B 6 1.670 -5.955 -2.802 1.00 0.00 H new ATOM 0 H72 DT B 6 2.763 -4.584 -3.108 1.00 0.00 H new ATOM 0 H73 DT B 6 3.409 -6.241 -3.047 1.00 0.00 H new ATOM 0 H6 DT B 6 4.978 -5.717 -1.303 1.00 0.00 H new ATOM 446 P DG B 7 8.838 -7.451 3.121 1.00 0.00 P ATOM 447 OP1 DG B 7 9.811 -7.187 4.205 1.00 0.00 O ATOM 448 OP2 DG B 7 9.130 -8.499 2.118 1.00 0.00 O ATOM 449 O5' DG B 7 7.406 -7.793 3.801 1.00 0.00 O ATOM 450 C5' DG B 7 6.937 -7.104 4.947 1.00 0.00 C ATOM 451 C4' DG B 7 5.591 -7.660 5.442 1.00 0.00 C ATOM 452 O4' DG B 7 4.528 -7.314 4.569 1.00 0.00 O ATOM 453 C3' DG B 7 5.578 -9.193 5.567 1.00 0.00 C ATOM 454 O3' DG B 7 5.291 -9.526 6.921 1.00 0.00 O ATOM 455 C2' DG B 7 4.491 -9.612 4.586 1.00 0.00 C ATOM 456 C1' DG B 7 3.598 -8.379 4.593 1.00 0.00 C ATOM 457 N9 DG B 7 2.685 -8.302 3.441 1.00 0.00 N ATOM 458 C8 DG B 7 3.041 -8.377 2.136 1.00 0.00 C ATOM 459 N7 DG B 7 2.069 -8.201 1.287 1.00 0.00 N ATOM 460 C5 DG B 7 0.964 -7.999 2.110 1.00 0.00 C ATOM 461 C6 DG B 7 -0.401 -7.763 1.768 1.00 0.00 C ATOM 462 O6 DG B 7 -0.885 -7.623 0.649 1.00 0.00 O ATOM 463 N1 DG B 7 -1.226 -7.707 2.889 1.00 0.00 N ATOM 464 C2 DG B 7 -0.782 -7.822 4.194 1.00 0.00 C ATOM 465 N2 DG B 7 -1.700 -7.764 5.163 1.00 0.00 N ATOM 466 N3 DG B 7 0.509 -7.996 4.518 1.00 0.00 N ATOM 467 C4 DG B 7 1.328 -8.082 3.435 1.00 0.00 C ATOM 0 H5' DG B 7 6.828 -6.045 4.714 1.00 0.00 H new ATOM 0 H5'' DG B 7 7.676 -7.181 5.744 1.00 0.00 H new ATOM 0 H4' DG B 7 5.456 -7.210 6.426 1.00 0.00 H new ATOM 0 H3' DG B 7 6.516 -9.697 5.334 1.00 0.00 H new ATOM 0 H2' DG B 7 4.891 -9.825 3.595 1.00 0.00 H new ATOM 0 H2'' DG B 7 3.961 -10.506 4.915 1.00 0.00 H new ATOM 0 H1' DG B 7 2.930 -8.374 5.454 1.00 0.00 H new ATOM 0 H8 DG B 7 4.057 -8.569 1.823 1.00 0.00 H new ATOM 0 H1 DG B 7 -2.226 -7.572 2.737 1.00 0.00 H new ATOM 0 H21 DG B 7 -1.417 -7.844 6.140 1.00 0.00 H new ATOM 0 H22 DG B 7 -2.684 -7.639 4.926 1.00 0.00 H new ATOM 479 P DC B 8 5.000 -11.033 7.435 1.00 0.00 P ATOM 480 OP1 DC B 8 5.409 -11.119 8.855 1.00 0.00 O ATOM 481 OP2 DC B 8 5.559 -11.986 6.452 1.00 0.00 O ATOM 482 O5' DC B 8 3.385 -11.125 7.371 1.00 0.00 O ATOM 483 C5' DC B 8 2.572 -10.368 8.251 1.00 0.00 C ATOM 484 C4' DC B 8 1.080 -10.657 8.022 1.00 0.00 C ATOM 485 O4' DC B 8 0.726 -10.235 6.720 1.00 0.00 O ATOM 486 C3' DC B 8 0.651 -12.131 8.143 1.00 0.00 C ATOM 487 O3' DC B 8 -0.014 -12.353 9.370 1.00 0.00 O ATOM 488 C2' DC B 8 -0.309 -12.324 6.968 1.00 0.00 C ATOM 489 C1' DC B 8 -0.423 -10.949 6.310 1.00 0.00 C ATOM 490 N1 DC B 8 -0.456 -11.061 4.827 1.00 0.00 N ATOM 491 C2 DC B 8 -1.669 -10.926 4.148 1.00 0.00 C ATOM 492 O2 DC B 8 -2.727 -10.798 4.760 1.00 0.00 O ATOM 493 N3 DC B 8 -1.654 -10.927 2.783 1.00 0.00 N ATOM 494 C4 DC B 8 -0.509 -11.090 2.101 1.00 0.00 C ATOM 495 N4 DC B 8 -0.538 -11.026 0.767 1.00 0.00 N ATOM 496 C5 DC B 8 0.741 -11.289 2.780 1.00 0.00 C ATOM 497 C6 DC B 8 0.710 -11.264 4.133 1.00 0.00 C ATOM 0 H5' DC B 8 2.765 -9.305 8.104 1.00 0.00 H new ATOM 0 H5'' DC B 8 2.835 -10.600 9.283 1.00 0.00 H new ATOM 0 H4' DC B 8 0.572 -10.115 8.820 1.00 0.00 H new ATOM 0 H3' DC B 8 1.493 -12.823 8.121 1.00 0.00 H new ATOM 0 H2' DC B 8 0.073 -13.065 6.266 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.282 -12.679 7.309 1.00 0.00 H new ATOM 0 HO3' DC B 8 -0.282 -13.294 9.431 1.00 0.00 H new ATOM 0 H1' DC B 8 -1.345 -10.448 6.605 1.00 0.00 H new ATOM 0 H41 DC B 8 0.322 -11.147 0.232 1.00 0.00 H new ATOM 0 H42 DC B 8 -1.420 -10.856 0.284 1.00 0.00 H new ATOM 0 H5 DC B 8 1.661 -11.451 2.237 1.00 0.00 H new ATOM 0 H6 DC B 8 1.629 -11.408 4.682 1.00 0.00 H new TER 510 DC B 8