USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 180 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 G O2' : rot -25:sc= 0.335 USER MOD Single : A 1 G O5' : rot 36:sc= 1.79 USER MOD Single : A 2 C O2' : rot -14:sc= 0.0137 USER MOD Single : A 3 A O2' : rot -122:sc= 0.522 USER MOD Single : A 4 G O2' : rot -14:sc= 0.207 USER MOD Single : A 5 U O2' : rot -19:sc= -0.234 USER MOD Single : A 6 G O2' : rot -23:sc= 0.0537 USER MOD Single : A 7 G O2' : rot -30:sc= 0.214 USER MOD Single : A 8 C O2' : rot -24:sc= 0.221 USER MOD Single : A 8 C O3' : rot -144:sc= 1.3 USER MOD Single : B 101 G O2' : rot -21:sc= 0.466 USER MOD Single : B 101 G O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot -24:sc= 0.336 USER MOD Single : B 103 C O2' : rot -18:sc= 0.309 USER MOD Single : B 104 A O2' : rot -28:sc= 0.108 USER MOD Single : B 106 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.864 -12.056 -9.460 1.00 0.00 O ATOM 2 C5' G A 1 -5.757 -11.848 -10.538 1.00 0.00 C ATOM 3 C4' G A 1 -7.199 -11.776 -10.032 1.00 0.00 C ATOM 4 O4' G A 1 -7.471 -12.907 -9.200 1.00 0.00 O ATOM 5 C3' G A 1 -7.538 -10.497 -9.245 1.00 0.00 C ATOM 6 O3' G A 1 -8.245 -9.527 -10.016 1.00 0.00 O ATOM 7 C2' G A 1 -8.493 -11.087 -8.210 1.00 0.00 C ATOM 8 O2' G A 1 -9.771 -11.219 -8.814 1.00 0.00 O ATOM 9 C1' G A 1 -7.905 -12.463 -7.924 1.00 0.00 C ATOM 10 N9 G A 1 -6.834 -12.449 -6.887 1.00 0.00 N ATOM 11 C8 G A 1 -6.854 -11.751 -5.709 1.00 0.00 C ATOM 12 N7 G A 1 -5.876 -12.016 -4.896 1.00 0.00 N ATOM 13 C5 G A 1 -5.160 -13.008 -5.550 1.00 0.00 C ATOM 14 C6 G A 1 -4.036 -13.769 -5.090 1.00 0.00 C ATOM 15 O6 G A 1 -3.459 -13.703 -4.000 1.00 0.00 O ATOM 16 N1 G A 1 -3.642 -14.733 -6.001 1.00 0.00 N ATOM 17 C2 G A 1 -4.304 -14.991 -7.183 1.00 0.00 C ATOM 18 N2 G A 1 -3.942 -16.071 -7.862 1.00 0.00 N ATOM 19 N3 G A 1 -5.356 -14.283 -7.636 1.00 0.00 N ATOM 20 C4 G A 1 -5.750 -13.302 -6.764 1.00 0.00 C ATOM 0 H5' G A 1 -5.659 -12.658 -11.261 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.501 -10.925 -11.057 1.00 0.00 H new ATOM 0 H4' G A 1 -7.823 -11.768 -10.926 1.00 0.00 H new ATOM 0 H3' G A 1 -6.656 -9.971 -8.879 1.00 0.00 H new ATOM 0 H2' G A 1 -8.603 -10.486 -7.307 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.858 -10.568 -9.542 1.00 0.00 H new ATOM 0 HO5' G A 1 -5.285 -12.639 -8.794 1.00 0.00 H new ATOM 0 H1' G A 1 -8.630 -13.144 -7.479 1.00 0.00 H new ATOM 0 H8 G A 1 -7.626 -11.033 -5.473 1.00 0.00 H new ATOM 0 H1 G A 1 -2.812 -15.286 -5.785 1.00 0.00 H new ATOM 0 H21 G A 1 -4.405 -16.300 -8.741 1.00 0.00 H new ATOM 0 H22 G A 1 -3.200 -16.673 -7.505 1.00 0.00 H new ATOM 33 P C A 2 -8.427 -8.014 -9.513 1.00 0.00 P ATOM 34 OP1 C A 2 -9.594 -7.492 -10.243 1.00 0.00 O ATOM 35 OP2 C A 2 -7.132 -7.309 -9.641 1.00 0.00 O ATOM 36 O5' C A 2 -8.793 -8.061 -7.965 1.00 0.00 O ATOM 37 C5' C A 2 -10.126 -8.105 -7.493 1.00 0.00 C ATOM 38 C4' C A 2 -10.202 -8.184 -5.964 1.00 0.00 C ATOM 39 O4' C A 2 -9.432 -9.257 -5.399 1.00 0.00 O ATOM 40 C3' C A 2 -9.756 -6.896 -5.272 1.00 0.00 C ATOM 41 O3' C A 2 -10.765 -5.906 -5.137 1.00 0.00 O ATOM 42 C2' C A 2 -9.437 -7.476 -3.909 1.00 0.00 C ATOM 43 O2' C A 2 -10.644 -7.740 -3.208 1.00 0.00 O ATOM 44 C1' C A 2 -8.802 -8.815 -4.184 1.00 0.00 C ATOM 45 N1 C A 2 -7.311 -8.721 -4.286 1.00 0.00 N ATOM 46 C2 C A 2 -6.526 -8.854 -3.129 1.00 0.00 C ATOM 47 O2 C A 2 -7.034 -8.969 -2.009 1.00 0.00 O ATOM 48 N3 C A 2 -5.164 -8.888 -3.237 1.00 0.00 N ATOM 49 C4 C A 2 -4.578 -8.768 -4.438 1.00 0.00 C ATOM 50 N4 C A 2 -3.260 -8.831 -4.528 1.00 0.00 N ATOM 51 C5 C A 2 -5.346 -8.636 -5.635 1.00 0.00 C ATOM 52 C6 C A 2 -6.691 -8.617 -5.506 1.00 0.00 C ATOM 0 H5' C A 2 -10.633 -8.968 -7.924 1.00 0.00 H new ATOM 0 H5'' C A 2 -10.659 -7.218 -7.835 1.00 0.00 H new ATOM 0 H4' C A 2 -11.262 -8.362 -5.781 1.00 0.00 H new ATOM 0 H3' C A 2 -8.968 -6.370 -5.811 1.00 0.00 H new ATOM 0 H2' C A 2 -8.810 -6.797 -3.331 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.388 -7.286 -3.655 1.00 0.00 H new ATOM 0 H1' C A 2 -8.953 -9.529 -3.374 1.00 0.00 H new ATOM 0 H41 C A 2 -2.806 -8.741 -5.437 1.00 0.00 H new ATOM 0 H42 C A 2 -2.698 -8.970 -3.688 1.00 0.00 H new ATOM 0 H5 C A 2 -4.872 -8.555 -6.602 1.00 0.00 H new ATOM 0 H6 C A 2 -7.299 -8.517 -6.393 1.00 0.00 H new ATOM 64 P A A 3 -10.409 -4.426 -4.637 1.00 0.00 P ATOM 65 OP1 A A 3 -11.651 -3.639 -4.473 1.00 0.00 O ATOM 66 OP2 A A 3 -9.308 -3.879 -5.457 1.00 0.00 O ATOM 67 O5' A A 3 -9.796 -4.609 -3.189 1.00 0.00 O ATOM 68 C5' A A 3 -10.624 -4.821 -2.068 1.00 0.00 C ATOM 69 C4' A A 3 -9.812 -5.299 -0.866 1.00 0.00 C ATOM 70 O4' A A 3 -8.804 -6.238 -1.171 1.00 0.00 O ATOM 71 C3' A A 3 -9.148 -4.123 -0.156 1.00 0.00 C ATOM 72 O3' A A 3 -10.073 -3.488 0.712 1.00 0.00 O ATOM 73 C2' A A 3 -8.021 -4.837 0.580 1.00 0.00 C ATOM 74 O2' A A 3 -8.485 -5.373 1.805 1.00 0.00 O ATOM 75 C1' A A 3 -7.665 -5.974 -0.374 1.00 0.00 C ATOM 76 N9 A A 3 -6.521 -5.635 -1.246 1.00 0.00 N ATOM 77 C8 A A 3 -6.518 -5.336 -2.586 1.00 0.00 C ATOM 78 N7 A A 3 -5.332 -5.384 -3.142 1.00 0.00 N ATOM 79 C5 A A 3 -4.489 -5.659 -2.067 1.00 0.00 C ATOM 80 C6 A A 3 -3.096 -5.849 -1.954 1.00 0.00 C ATOM 81 N6 A A 3 -2.274 -5.879 -3.002 1.00 0.00 N ATOM 82 N1 A A 3 -2.553 -6.026 -0.741 1.00 0.00 N ATOM 83 C2 A A 3 -3.359 -6.061 0.322 1.00 0.00 C ATOM 84 N3 A A 3 -4.689 -5.961 0.355 1.00 0.00 N ATOM 85 C4 A A 3 -5.197 -5.748 -0.895 1.00 0.00 C ATOM 0 H5' A A 3 -11.388 -5.559 -2.311 1.00 0.00 H new ATOM 0 H5'' A A 3 -11.143 -3.896 -1.815 1.00 0.00 H new ATOM 0 H4' A A 3 -10.544 -5.795 -0.229 1.00 0.00 H new ATOM 0 H3' A A 3 -8.794 -3.316 -0.798 1.00 0.00 H new ATOM 0 H2' A A 3 -7.185 -4.181 0.823 1.00 0.00 H new ATOM 0 HO2' A A 3 -7.954 -5.009 2.544 1.00 0.00 H new ATOM 0 H1' A A 3 -7.373 -6.846 0.211 1.00 0.00 H new ATOM 0 H8 A A 3 -7.414 -5.083 -3.134 1.00 0.00 H new ATOM 0 H61 A A 3 -1.274 -6.020 -2.862 1.00 0.00 H new ATOM 0 H62 A A 3 -2.645 -5.761 -3.945 1.00 0.00 H new ATOM 0 H2 A A 3 -2.872 -6.186 1.278 1.00 0.00 H new ATOM 97 P G A 4 -9.791 -2.057 1.340 1.00 0.00 P ATOM 98 OP1 G A 4 -10.899 -1.792 2.282 1.00 0.00 O ATOM 99 OP2 G A 4 -9.567 -1.094 0.242 1.00 0.00 O ATOM 100 O5' G A 4 -8.463 -2.251 2.185 1.00 0.00 O ATOM 101 C5' G A 4 -8.528 -2.536 3.563 1.00 0.00 C ATOM 102 C4' G A 4 -7.212 -3.022 4.162 1.00 0.00 C ATOM 103 O4' G A 4 -6.487 -3.844 3.256 1.00 0.00 O ATOM 104 C3' G A 4 -6.304 -1.882 4.635 1.00 0.00 C ATOM 105 O3' G A 4 -6.593 -1.540 5.989 1.00 0.00 O ATOM 106 C2' G A 4 -4.955 -2.583 4.534 1.00 0.00 C ATOM 107 O2' G A 4 -4.810 -3.364 5.702 1.00 0.00 O ATOM 108 C1' G A 4 -5.106 -3.498 3.323 1.00 0.00 C ATOM 109 N9 G A 4 -4.665 -2.837 2.070 1.00 0.00 N ATOM 110 C8 G A 4 -5.421 -2.284 1.069 1.00 0.00 C ATOM 111 N7 G A 4 -4.766 -2.051 -0.038 1.00 0.00 N ATOM 112 C5 G A 4 -3.445 -2.341 0.304 1.00 0.00 C ATOM 113 C6 G A 4 -2.234 -2.209 -0.458 1.00 0.00 C ATOM 114 O6 G A 4 -2.102 -1.922 -1.655 1.00 0.00 O ATOM 115 N1 G A 4 -1.099 -2.432 0.319 1.00 0.00 N ATOM 116 C2 G A 4 -1.117 -2.819 1.642 1.00 0.00 C ATOM 117 N2 G A 4 0.022 -2.876 2.324 1.00 0.00 N ATOM 118 N3 G A 4 -2.244 -3.070 2.325 1.00 0.00 N ATOM 119 C4 G A 4 -3.372 -2.769 1.613 1.00 0.00 C ATOM 0 H5' G A 4 -9.293 -3.294 3.730 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.847 -1.639 4.094 1.00 0.00 H new ATOM 0 H4' G A 4 -7.502 -3.608 5.034 1.00 0.00 H new ATOM 0 H3' G A 4 -6.391 -0.949 4.079 1.00 0.00 H new ATOM 0 H2' G A 4 -4.101 -1.912 4.438 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.483 -3.094 6.361 1.00 0.00 H new ATOM 0 H1' G A 4 -4.476 -4.381 3.430 1.00 0.00 H new ATOM 0 H8 G A 4 -6.471 -2.059 1.185 1.00 0.00 H new ATOM 0 H1 G A 4 -0.189 -2.299 -0.123 1.00 0.00 H new ATOM 0 H21 G A 4 0.016 -3.161 3.303 1.00 0.00 H new ATOM 0 H22 G A 4 0.902 -2.634 1.868 1.00 0.00 H new ATOM 131 P U A 5 -6.077 -0.186 6.659 1.00 0.00 P ATOM 132 OP1 U A 5 -6.437 -0.238 8.083 1.00 0.00 O ATOM 133 OP2 U A 5 -6.582 0.950 5.865 1.00 0.00 O ATOM 134 O5' U A 5 -4.490 -0.214 6.530 1.00 0.00 O ATOM 135 C5' U A 5 -3.677 -0.913 7.464 1.00 0.00 C ATOM 136 C4' U A 5 -2.208 -0.917 7.021 1.00 0.00 C ATOM 137 O4' U A 5 -2.045 -1.351 5.680 1.00 0.00 O ATOM 138 C3' U A 5 -1.592 0.472 7.097 1.00 0.00 C ATOM 139 O3' U A 5 -1.186 0.770 8.417 1.00 0.00 O ATOM 140 C2' U A 5 -0.403 0.305 6.143 1.00 0.00 C ATOM 141 O2' U A 5 0.733 -0.337 6.723 1.00 0.00 O ATOM 142 C1' U A 5 -0.962 -0.643 5.086 1.00 0.00 C ATOM 143 N1 U A 5 -1.337 0.061 3.838 1.00 0.00 N ATOM 144 C2 U A 5 -0.307 0.312 2.924 1.00 0.00 C ATOM 145 O2 U A 5 0.891 0.267 3.233 1.00 0.00 O ATOM 146 N3 U A 5 -0.702 0.628 1.635 1.00 0.00 N ATOM 147 C4 U A 5 -2.009 0.807 1.214 1.00 0.00 C ATOM 148 O4 U A 5 -2.259 1.039 0.036 1.00 0.00 O ATOM 149 C5 U A 5 -2.995 0.665 2.258 1.00 0.00 C ATOM 150 C6 U A 5 -2.649 0.310 3.519 1.00 0.00 C ATOM 0 H5' U A 5 -4.033 -1.938 7.565 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.763 -0.448 8.446 1.00 0.00 H new ATOM 0 H4' U A 5 -1.714 -1.606 7.706 1.00 0.00 H new ATOM 0 H3' U A 5 -2.258 1.293 6.831 1.00 0.00 H new ATOM 0 H2' U A 5 -0.052 1.279 5.803 1.00 0.00 H new ATOM 0 HO2' U A 5 0.671 -0.292 7.700 1.00 0.00 H new ATOM 0 H1' U A 5 -0.196 -1.352 4.770 1.00 0.00 H new ATOM 0 H3 U A 5 0.032 0.738 0.936 1.00 0.00 H new ATOM 0 H5 U A 5 -4.035 0.846 2.029 1.00 0.00 H new ATOM 0 H6 U A 5 -3.411 0.222 4.279 1.00 0.00 H new ATOM 161 P G A 6 -0.867 2.247 8.872 1.00 0.00 P ATOM 162 OP1 G A 6 0.020 2.109 10.055 1.00 0.00 O ATOM 163 OP2 G A 6 -2.156 2.943 9.057 1.00 0.00 O ATOM 164 O5' G A 6 -0.046 2.947 7.696 1.00 0.00 O ATOM 165 C5' G A 6 1.350 2.784 7.662 1.00 0.00 C ATOM 166 C4' G A 6 2.099 3.453 6.515 1.00 0.00 C ATOM 167 O4' G A 6 1.819 2.851 5.255 1.00 0.00 O ATOM 168 C3' G A 6 1.767 4.924 6.314 1.00 0.00 C ATOM 169 O3' G A 6 2.366 5.735 7.311 1.00 0.00 O ATOM 170 C2' G A 6 2.447 5.097 4.949 1.00 0.00 C ATOM 171 O2' G A 6 3.872 5.153 5.055 1.00 0.00 O ATOM 172 C1' G A 6 2.070 3.807 4.224 1.00 0.00 C ATOM 173 N9 G A 6 0.943 3.936 3.268 1.00 0.00 N ATOM 174 C8 G A 6 -0.371 3.569 3.418 1.00 0.00 C ATOM 175 N7 G A 6 -1.096 3.712 2.343 1.00 0.00 N ATOM 176 C5 G A 6 -0.190 4.160 1.388 1.00 0.00 C ATOM 177 C6 G A 6 -0.384 4.439 -0.003 1.00 0.00 C ATOM 178 O6 G A 6 -1.422 4.420 -0.661 1.00 0.00 O ATOM 179 N1 G A 6 0.791 4.797 -0.644 1.00 0.00 N ATOM 180 C2 G A 6 2.009 4.899 -0.020 1.00 0.00 C ATOM 181 N2 G A 6 3.055 5.235 -0.763 1.00 0.00 N ATOM 182 N3 G A 6 2.206 4.700 1.298 1.00 0.00 N ATOM 183 C4 G A 6 1.061 4.304 1.944 1.00 0.00 C ATOM 0 H5' G A 6 1.565 1.716 7.629 1.00 0.00 H new ATOM 0 H5'' G A 6 1.758 3.163 8.599 1.00 0.00 H new ATOM 0 H4' G A 6 3.139 3.332 6.818 1.00 0.00 H new ATOM 0 H3' G A 6 0.713 5.198 6.367 1.00 0.00 H new ATOM 0 H2' G A 6 2.139 6.020 4.458 1.00 0.00 H new ATOM 0 HO2' G A 6 4.122 5.437 5.959 1.00 0.00 H new ATOM 0 H1' G A 6 2.885 3.496 3.570 1.00 0.00 H new ATOM 0 H8 G A 6 -0.771 3.193 4.348 1.00 0.00 H new ATOM 0 H1 G A 6 0.748 4.997 -1.643 1.00 0.00 H new ATOM 0 H21 G A 6 3.977 5.321 -0.336 1.00 0.00 H new ATOM 0 H22 G A 6 2.937 5.407 -1.761 1.00 0.00 H new ATOM 195 P G A 7 1.977 7.274 7.445 1.00 0.00 P ATOM 196 OP1 G A 7 2.698 7.809 8.623 1.00 0.00 O ATOM 197 OP2 G A 7 0.517 7.407 7.385 1.00 0.00 O ATOM 198 O5' G A 7 2.536 7.945 6.120 1.00 0.00 O ATOM 199 C5' G A 7 3.346 9.095 6.172 1.00 0.00 C ATOM 200 C4' G A 7 3.568 9.674 4.770 1.00 0.00 C ATOM 201 O4' G A 7 3.643 8.620 3.805 1.00 0.00 O ATOM 202 C3' G A 7 2.453 10.619 4.310 1.00 0.00 C ATOM 203 O3' G A 7 2.603 12.016 4.543 1.00 0.00 O ATOM 204 C2' G A 7 2.482 10.406 2.808 1.00 0.00 C ATOM 205 O2' G A 7 3.430 11.239 2.170 1.00 0.00 O ATOM 206 C1' G A 7 2.839 8.931 2.671 1.00 0.00 C ATOM 207 N9 G A 7 1.555 8.193 2.521 1.00 0.00 N ATOM 208 C8 G A 7 0.689 7.718 3.474 1.00 0.00 C ATOM 209 N7 G A 7 -0.482 7.385 3.013 1.00 0.00 N ATOM 210 C5 G A 7 -0.400 7.625 1.650 1.00 0.00 C ATOM 211 C6 G A 7 -1.376 7.447 0.614 1.00 0.00 C ATOM 212 O6 G A 7 -2.534 7.042 0.704 1.00 0.00 O ATOM 213 N1 G A 7 -0.881 7.758 -0.642 1.00 0.00 N ATOM 214 C2 G A 7 0.395 8.212 -0.868 1.00 0.00 C ATOM 215 N2 G A 7 0.729 8.516 -2.109 1.00 0.00 N ATOM 216 N3 G A 7 1.317 8.426 0.088 1.00 0.00 N ATOM 217 C4 G A 7 0.860 8.090 1.334 1.00 0.00 C ATOM 0 H5' G A 7 4.307 8.847 6.623 1.00 0.00 H new ATOM 0 H5'' G A 7 2.878 9.845 6.809 1.00 0.00 H new ATOM 0 H4' G A 7 4.498 10.238 4.838 1.00 0.00 H new ATOM 0 H3' G A 7 1.548 10.381 4.869 1.00 0.00 H new ATOM 0 H2' G A 7 1.537 10.661 2.329 1.00 0.00 H new ATOM 0 HO2' G A 7 3.524 12.074 2.675 1.00 0.00 H new ATOM 0 H1' G A 7 3.430 8.649 1.800 1.00 0.00 H new ATOM 0 H8 G A 7 0.956 7.628 4.517 1.00 0.00 H new ATOM 0 H1 G A 7 -1.500 7.643 -1.445 1.00 0.00 H new ATOM 0 H21 G A 7 1.668 8.856 -2.316 1.00 0.00 H new ATOM 0 H22 G A 7 0.048 8.410 -2.861 1.00 0.00 H new ATOM 229 P C A 8 2.583 12.637 6.008 1.00 0.00 P ATOM 230 OP1 C A 8 2.333 14.094 5.905 1.00 0.00 O ATOM 231 OP2 C A 8 3.790 12.189 6.736 1.00 0.00 O ATOM 232 O5' C A 8 1.294 11.979 6.671 1.00 0.00 O ATOM 233 C5' C A 8 0.045 12.643 6.649 1.00 0.00 C ATOM 234 C4' C A 8 -1.169 11.729 6.888 1.00 0.00 C ATOM 235 O4' C A 8 -2.230 12.132 6.027 1.00 0.00 O ATOM 236 C3' C A 8 -0.977 10.220 6.696 1.00 0.00 C ATOM 237 O3' C A 8 -0.656 9.585 7.919 1.00 0.00 O ATOM 238 C2' C A 8 -2.353 9.785 6.200 1.00 0.00 C ATOM 239 O2' C A 8 -3.238 9.619 7.296 1.00 0.00 O ATOM 240 C1' C A 8 -2.816 10.997 5.391 1.00 0.00 C ATOM 241 N1 C A 8 -2.459 10.933 3.940 1.00 0.00 N ATOM 242 C2 C A 8 -3.466 10.615 3.011 1.00 0.00 C ATOM 243 O2 C A 8 -4.608 10.324 3.371 1.00 0.00 O ATOM 244 N3 C A 8 -3.189 10.660 1.672 1.00 0.00 N ATOM 245 C4 C A 8 -1.970 11.005 1.248 1.00 0.00 C ATOM 246 N4 C A 8 -1.685 10.992 -0.045 1.00 0.00 N ATOM 247 C5 C A 8 -0.952 11.394 2.161 1.00 0.00 C ATOM 248 C6 C A 8 -1.221 11.324 3.483 1.00 0.00 C ATOM 0 H5' C A 8 -0.073 13.137 5.684 1.00 0.00 H new ATOM 0 H5'' C A 8 0.050 13.425 7.409 1.00 0.00 H new ATOM 0 H4' C A 8 -1.373 11.858 7.951 1.00 0.00 H new ATOM 0 H3' C A 8 -0.162 9.965 6.019 1.00 0.00 H new ATOM 0 H2' C A 8 -2.329 8.847 5.645 1.00 0.00 H new ATOM 0 HO2' C A 8 -2.722 9.436 8.109 1.00 0.00 H new ATOM 0 HO3' C A 8 -0.015 8.862 7.754 1.00 0.00 H new ATOM 0 H1' C A 8 -3.905 11.043 5.386 1.00 0.00 H new ATOM 0 H41 C A 8 -0.753 11.256 -0.364 1.00 0.00 H new ATOM 0 H42 C A 8 -2.397 10.718 -0.721 1.00 0.00 H new ATOM 0 H5 C A 8 0.010 11.736 1.808 1.00 0.00 H new ATOM 0 H6 C A 8 -0.450 11.580 4.195 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -10.416 10.325 -6.195 1.00 0.00 O ATOM 263 C5' G B 101 -9.334 9.420 -6.304 1.00 0.00 C ATOM 264 C4' G B 101 -8.166 10.060 -7.060 1.00 0.00 C ATOM 265 O4' G B 101 -7.589 11.131 -6.323 1.00 0.00 O ATOM 266 C3' G B 101 -7.045 9.047 -7.336 1.00 0.00 C ATOM 267 O3' G B 101 -6.985 8.717 -8.716 1.00 0.00 O ATOM 268 C2' G B 101 -5.791 9.818 -6.940 1.00 0.00 C ATOM 269 O2' G B 101 -5.359 10.548 -8.068 1.00 0.00 O ATOM 270 C1' G B 101 -6.314 10.745 -5.840 1.00 0.00 C ATOM 271 N9 G B 101 -6.367 10.065 -4.510 1.00 0.00 N ATOM 272 C8 G B 101 -5.473 9.151 -4.012 1.00 0.00 C ATOM 273 N7 G B 101 -5.726 8.731 -2.808 1.00 0.00 N ATOM 274 C5 G B 101 -6.877 9.425 -2.455 1.00 0.00 C ATOM 275 C6 G B 101 -7.646 9.379 -1.249 1.00 0.00 C ATOM 276 O6 G B 101 -7.436 8.725 -0.227 1.00 0.00 O ATOM 277 N1 G B 101 -8.797 10.148 -1.305 1.00 0.00 N ATOM 278 C2 G B 101 -9.134 10.939 -2.380 1.00 0.00 C ATOM 279 N2 G B 101 -10.305 11.570 -2.366 1.00 0.00 N ATOM 280 N3 G B 101 -8.358 11.095 -3.460 1.00 0.00 N ATOM 281 C4 G B 101 -7.267 10.269 -3.477 1.00 0.00 C ATOM 0 H5' G B 101 -9.659 8.518 -6.823 1.00 0.00 H new ATOM 0 H5'' G B 101 -9.007 9.115 -5.310 1.00 0.00 H new ATOM 0 H4' G B 101 -8.586 10.425 -7.997 1.00 0.00 H new ATOM 0 H3' G B 101 -7.181 8.108 -6.800 1.00 0.00 H new ATOM 0 H2' G B 101 -4.949 9.212 -6.606 1.00 0.00 H new ATOM 0 HO2' G B 101 -5.734 10.147 -8.880 1.00 0.00 H new ATOM 0 HO5' G B 101 -11.153 9.897 -5.710 1.00 0.00 H new ATOM 0 H1' G B 101 -5.668 11.603 -5.655 1.00 0.00 H new ATOM 0 H8 G B 101 -4.621 8.806 -4.579 1.00 0.00 H new ATOM 0 H1 G B 101 -9.430 10.127 -0.505 1.00 0.00 H new ATOM 0 H21 G B 101 -10.575 12.161 -3.152 1.00 0.00 H new ATOM 0 H22 G B 101 -10.933 11.462 -1.569 1.00 0.00 H new ATOM 294 P C B 102 -6.524 7.275 -9.207 1.00 0.00 P ATOM 295 OP1 C B 102 -6.786 7.241 -10.660 1.00 0.00 O ATOM 296 OP2 C B 102 -7.190 6.276 -8.343 1.00 0.00 O ATOM 297 O5' C B 102 -4.949 7.261 -8.940 1.00 0.00 O ATOM 298 C5' C B 102 -4.053 7.867 -9.860 1.00 0.00 C ATOM 299 C4' C B 102 -2.681 8.186 -9.257 1.00 0.00 C ATOM 300 O4' C B 102 -2.797 8.701 -7.939 1.00 0.00 O ATOM 301 C3' C B 102 -1.718 7.002 -9.202 1.00 0.00 C ATOM 302 O3' C B 102 -1.038 6.859 -10.443 1.00 0.00 O ATOM 303 C2' C B 102 -0.760 7.499 -8.129 1.00 0.00 C ATOM 304 O2' C B 102 0.167 8.376 -8.738 1.00 0.00 O ATOM 305 C1' C B 102 -1.659 8.294 -7.187 1.00 0.00 C ATOM 306 N1 C B 102 -2.075 7.554 -5.959 1.00 0.00 N ATOM 307 C2 C B 102 -1.363 7.757 -4.770 1.00 0.00 C ATOM 308 O2 C B 102 -0.306 8.401 -4.750 1.00 0.00 O ATOM 309 N3 C B 102 -1.839 7.258 -3.590 1.00 0.00 N ATOM 310 C4 C B 102 -2.976 6.537 -3.572 1.00 0.00 C ATOM 311 N4 C B 102 -3.406 6.021 -2.428 1.00 0.00 N ATOM 312 C5 C B 102 -3.728 6.319 -4.775 1.00 0.00 C ATOM 313 C6 C B 102 -3.235 6.819 -5.935 1.00 0.00 C ATOM 0 H5' C B 102 -4.499 8.788 -10.236 1.00 0.00 H new ATOM 0 H5'' C B 102 -3.920 7.205 -10.715 1.00 0.00 H new ATOM 0 H4' C B 102 -2.267 8.928 -9.939 1.00 0.00 H new ATOM 0 H3' C B 102 -2.179 6.034 -9.005 1.00 0.00 H new ATOM 0 H2' C B 102 -0.211 6.705 -7.624 1.00 0.00 H new ATOM 0 HO2' C B 102 0.239 8.165 -9.692 1.00 0.00 H new ATOM 0 H1' C B 102 -1.090 9.144 -6.811 1.00 0.00 H new ATOM 0 H41 C B 102 -4.267 5.474 -2.407 1.00 0.00 H new ATOM 0 H42 C B 102 -2.876 6.172 -1.570 1.00 0.00 H new ATOM 0 H5 C B 102 -4.659 5.773 -4.757 1.00 0.00 H new ATOM 0 H6 C B 102 -3.765 6.636 -6.858 1.00 0.00 H new ATOM 325 P C B 103 -0.250 5.535 -10.857 1.00 0.00 P ATOM 326 OP1 C B 103 0.431 5.857 -12.132 1.00 0.00 O ATOM 327 OP2 C B 103 -1.207 4.414 -10.841 1.00 0.00 O ATOM 328 O5' C B 103 0.879 5.255 -9.756 1.00 0.00 O ATOM 329 C5' C B 103 2.223 5.656 -9.973 1.00 0.00 C ATOM 330 C4' C B 103 3.063 5.583 -8.698 1.00 0.00 C ATOM 331 O4' C B 103 2.407 6.306 -7.665 1.00 0.00 O ATOM 332 C3' C B 103 3.382 4.198 -8.137 1.00 0.00 C ATOM 333 O3' C B 103 4.535 3.602 -8.710 1.00 0.00 O ATOM 334 C2' C B 103 3.696 4.586 -6.696 1.00 0.00 C ATOM 335 O2' C B 103 5.019 5.078 -6.629 1.00 0.00 O ATOM 336 C1' C B 103 2.731 5.724 -6.409 1.00 0.00 C ATOM 337 N1 C B 103 1.551 5.206 -5.661 1.00 0.00 N ATOM 338 C2 C B 103 1.617 5.204 -4.263 1.00 0.00 C ATOM 339 O2 C B 103 2.596 5.666 -3.653 1.00 0.00 O ATOM 340 N3 C B 103 0.575 4.706 -3.549 1.00 0.00 N ATOM 341 C4 C B 103 -0.502 4.197 -4.165 1.00 0.00 C ATOM 342 N4 C B 103 -1.473 3.684 -3.431 1.00 0.00 N ATOM 343 C5 C B 103 -0.598 4.177 -5.595 1.00 0.00 C ATOM 344 C6 C B 103 0.446 4.682 -6.299 1.00 0.00 C ATOM 0 H5' C B 103 2.238 6.676 -10.357 1.00 0.00 H new ATOM 0 H5'' C B 103 2.671 5.021 -10.737 1.00 0.00 H new ATOM 0 H4' C B 103 4.021 6.001 -9.008 1.00 0.00 H new ATOM 0 H3' C B 103 2.588 3.471 -8.308 1.00 0.00 H new ATOM 0 H2' C B 103 3.602 3.755 -5.997 1.00 0.00 H new ATOM 0 HO2' C B 103 5.512 4.800 -7.429 1.00 0.00 H new ATOM 0 H1' C B 103 3.162 6.494 -5.770 1.00 0.00 H new ATOM 0 H41 C B 103 -2.300 3.292 -3.881 1.00 0.00 H new ATOM 0 H42 C B 103 -1.396 3.680 -2.414 1.00 0.00 H new ATOM 0 H5 C B 103 -1.468 3.775 -6.093 1.00 0.00 H new ATOM 0 H6 C B 103 0.411 4.674 -7.378 1.00 0.00 H new ATOM 356 P A B 104 4.852 2.046 -8.488 1.00 0.00 P ATOM 357 OP1 A B 104 6.034 1.699 -9.302 1.00 0.00 O ATOM 358 OP2 A B 104 3.596 1.286 -8.631 1.00 0.00 O ATOM 359 O5' A B 104 5.285 1.972 -6.951 1.00 0.00 O ATOM 360 C5' A B 104 6.626 2.190 -6.560 1.00 0.00 C ATOM 361 C4' A B 104 6.772 2.178 -5.039 1.00 0.00 C ATOM 362 O4' A B 104 5.829 3.020 -4.394 1.00 0.00 O ATOM 363 C3' A B 104 6.636 0.802 -4.386 1.00 0.00 C ATOM 364 O3' A B 104 7.827 0.040 -4.476 1.00 0.00 O ATOM 365 C2' A B 104 6.381 1.250 -2.950 1.00 0.00 C ATOM 366 O2' A B 104 7.596 1.704 -2.362 1.00 0.00 O ATOM 367 C1' A B 104 5.445 2.442 -3.145 1.00 0.00 C ATOM 368 N9 A B 104 4.020 2.039 -3.193 1.00 0.00 N ATOM 369 C8 A B 104 3.220 1.790 -4.283 1.00 0.00 C ATOM 370 N7 A B 104 1.970 1.550 -3.990 1.00 0.00 N ATOM 371 C5 A B 104 1.973 1.551 -2.596 1.00 0.00 C ATOM 372 C6 A B 104 0.963 1.383 -1.628 1.00 0.00 C ATOM 373 N6 A B 104 -0.312 1.213 -1.940 1.00 0.00 N ATOM 374 N1 A B 104 1.283 1.413 -0.329 1.00 0.00 N ATOM 375 C2 A B 104 2.551 1.598 0.016 1.00 0.00 C ATOM 376 N3 A B 104 3.599 1.804 -0.786 1.00 0.00 N ATOM 377 C4 A B 104 3.236 1.760 -2.100 1.00 0.00 C ATOM 0 H5' A B 104 6.970 3.147 -6.953 1.00 0.00 H new ATOM 0 H5'' A B 104 7.263 1.420 -6.994 1.00 0.00 H new ATOM 0 H4' A B 104 7.792 2.537 -4.902 1.00 0.00 H new ATOM 0 H3' A B 104 5.882 0.153 -4.832 1.00 0.00 H new ATOM 0 H2' A B 104 5.983 0.463 -2.309 1.00 0.00 H new ATOM 0 HO2' A B 104 8.354 1.245 -2.781 1.00 0.00 H new ATOM 0 H1' A B 104 5.531 3.137 -2.309 1.00 0.00 H new ATOM 0 H8 A B 104 3.594 1.793 -5.296 1.00 0.00 H new ATOM 0 H61 A B 104 -1.006 1.095 -1.202 1.00 0.00 H new ATOM 0 H62 A B 104 -0.600 1.200 -2.918 1.00 0.00 H new ATOM 0 H2 A B 104 2.761 1.580 1.075 1.00 0.00 H new ATOM 389 P DC B 105 7.810 -1.541 -4.286 1.00 0.00 P ATOM 390 OP1 DC B 105 9.230 -1.973 -4.344 1.00 0.00 O ATOM 391 OP2 DC B 105 6.870 -2.108 -5.261 1.00 0.00 O ATOM 392 O5' DC B 105 7.243 -1.824 -2.826 1.00 0.00 O ATOM 393 C5' DC B 105 8.031 -1.606 -1.676 1.00 0.00 C ATOM 394 C4' DC B 105 7.246 -1.756 -0.369 1.00 0.00 C ATOM 395 O4' DC B 105 6.143 -0.863 -0.331 1.00 0.00 O ATOM 396 C3' DC B 105 6.707 -3.165 -0.133 1.00 0.00 C ATOM 397 O3' DC B 105 7.670 -4.003 0.492 1.00 0.00 O ATOM 398 C2' DC B 105 5.555 -2.834 0.806 1.00 0.00 C ATOM 399 C1' DC B 105 5.040 -1.490 0.315 1.00 0.00 C ATOM 400 N1 DC B 105 3.871 -1.663 -0.590 1.00 0.00 N ATOM 401 C2 DC B 105 2.610 -1.837 -0.009 1.00 0.00 C ATOM 402 O2 DC B 105 2.456 -1.929 1.211 1.00 0.00 O ATOM 403 N3 DC B 105 1.517 -1.937 -0.810 1.00 0.00 N ATOM 404 C4 DC B 105 1.648 -1.888 -2.136 1.00 0.00 C ATOM 405 N4 DC B 105 0.541 -1.922 -2.850 1.00 0.00 N ATOM 406 C5 DC B 105 2.928 -1.797 -2.770 1.00 0.00 C ATOM 407 C6 DC B 105 4.007 -1.673 -1.959 1.00 0.00 C ATOM 0 H5' DC B 105 8.460 -0.605 -1.722 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.863 -2.310 -1.675 1.00 0.00 H new ATOM 0 H4' DC B 105 7.967 -1.527 0.416 1.00 0.00 H new ATOM 0 H3' DC B 105 6.433 -3.715 -1.034 1.00 0.00 H new ATOM 0 H2' DC B 105 4.777 -3.597 0.765 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.890 -2.777 1.841 1.00 0.00 H new ATOM 0 H1' DC B 105 4.676 -0.870 1.134 1.00 0.00 H new ATOM 0 H41 DC B 105 0.590 -1.887 -3.868 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.364 -1.983 -2.384 1.00 0.00 H new ATOM 0 H5 DC B 105 3.029 -1.826 -3.845 1.00 0.00 H new ATOM 0 H6 DC B 105 4.991 -1.580 -2.395 1.00 0.00 H new ATOM 419 P DT B 106 7.512 -5.593 0.522 1.00 0.00 P ATOM 420 OP1 DT B 106 8.644 -6.106 1.316 1.00 0.00 O ATOM 421 OP2 DT B 106 7.354 -6.054 -0.870 1.00 0.00 O ATOM 422 O5' DT B 106 6.159 -5.922 1.295 1.00 0.00 O ATOM 423 C5' DT B 106 6.076 -5.728 2.699 1.00 0.00 C ATOM 424 C4' DT B 106 4.652 -5.849 3.238 1.00 0.00 C ATOM 425 O4' DT B 106 3.790 -4.922 2.595 1.00 0.00 O ATOM 426 C3' DT B 106 4.025 -7.231 3.055 1.00 0.00 C ATOM 427 O3' DT B 106 4.403 -8.174 4.056 1.00 0.00 O ATOM 428 C2' DT B 106 2.554 -6.837 3.141 1.00 0.00 C ATOM 429 C1' DT B 106 2.485 -5.476 2.462 1.00 0.00 C ATOM 430 N1 DT B 106 2.058 -5.608 1.038 1.00 0.00 N ATOM 431 C2 DT B 106 0.691 -5.754 0.774 1.00 0.00 C ATOM 432 O2 DT B 106 -0.154 -5.899 1.660 1.00 0.00 O ATOM 433 N3 DT B 106 0.320 -5.745 -0.561 1.00 0.00 N ATOM 434 C4 DT B 106 1.178 -5.659 -1.646 1.00 0.00 C ATOM 435 O4 DT B 106 0.731 -5.661 -2.799 1.00 0.00 O ATOM 436 C5 DT B 106 2.589 -5.582 -1.289 1.00 0.00 C ATOM 437 C7 DT B 106 3.643 -5.512 -2.372 1.00 0.00 C ATOM 438 C6 DT B 106 2.974 -5.575 0.014 1.00 0.00 C ATOM 0 H5' DT B 106 6.469 -4.742 2.947 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.711 -6.460 3.199 1.00 0.00 H new ATOM 0 H4' DT B 106 4.750 -5.651 4.305 1.00 0.00 H new ATOM 0 H3' DT B 106 4.325 -7.751 2.145 1.00 0.00 H new ATOM 0 H2' DT B 106 1.918 -7.565 2.637 1.00 0.00 H new ATOM 0 H2'' DT B 106 2.217 -6.782 4.176 1.00 0.00 H new ATOM 0 H1' DT B 106 1.741 -4.823 2.919 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.678 -5.807 -0.764 1.00 0.00 H new ATOM 0 H71 DT B 106 4.504 -4.952 -2.006 1.00 0.00 H new ATOM 0 H72 DT B 106 3.955 -6.521 -2.642 1.00 0.00 H new ATOM 0 H73 DT B 106 3.231 -5.013 -3.249 1.00 0.00 H new ATOM 0 H6 DT B 106 4.027 -5.543 0.251 1.00 0.00 H new ATOM 451 P DG B 107 4.007 -9.721 3.902 1.00 0.00 P ATOM 452 OP1 DG B 107 4.641 -10.501 4.988 1.00 0.00 O ATOM 453 OP2 DG B 107 4.292 -10.138 2.518 1.00 0.00 O ATOM 454 O5' DG B 107 2.438 -9.768 4.141 1.00 0.00 O ATOM 455 C5' DG B 107 1.887 -9.348 5.380 1.00 0.00 C ATOM 456 C4' DG B 107 0.352 -9.342 5.374 1.00 0.00 C ATOM 457 O4' DG B 107 -0.129 -8.635 4.234 1.00 0.00 O ATOM 458 C3' DG B 107 -0.244 -10.752 5.332 1.00 0.00 C ATOM 459 O3' DG B 107 -1.489 -10.835 6.022 1.00 0.00 O ATOM 460 C2' DG B 107 -0.482 -10.913 3.842 1.00 0.00 C ATOM 461 C1' DG B 107 -0.919 -9.520 3.453 1.00 0.00 C ATOM 462 N9 DG B 107 -0.727 -9.327 2.004 1.00 0.00 N ATOM 463 C8 DG B 107 0.456 -9.370 1.316 1.00 0.00 C ATOM 464 N7 DG B 107 0.326 -9.309 0.021 1.00 0.00 N ATOM 465 C5 DG B 107 -1.050 -9.260 -0.165 1.00 0.00 C ATOM 466 C6 DG B 107 -1.801 -9.283 -1.379 1.00 0.00 C ATOM 467 O6 DG B 107 -1.367 -9.323 -2.529 1.00 0.00 O ATOM 468 N1 DG B 107 -3.172 -9.314 -1.165 1.00 0.00 N ATOM 469 C2 DG B 107 -3.760 -9.314 0.078 1.00 0.00 C ATOM 470 N2 DG B 107 -5.083 -9.302 0.149 1.00 0.00 N ATOM 471 N3 DG B 107 -3.068 -9.341 1.231 1.00 0.00 N ATOM 472 C4 DG B 107 -1.712 -9.292 1.043 1.00 0.00 C ATOM 0 H5' DG B 107 2.249 -8.347 5.613 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.241 -10.008 6.172 1.00 0.00 H new ATOM 0 H4' DG B 107 0.044 -8.859 6.302 1.00 0.00 H new ATOM 0 H3' DG B 107 0.393 -11.503 5.799 1.00 0.00 H new ATOM 0 H2' DG B 107 0.420 -11.222 3.314 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.248 -11.658 3.627 1.00 0.00 H new ATOM 0 H1' DG B 107 -1.977 -9.338 3.643 1.00 0.00 H new ATOM 0 H8 DG B 107 1.416 -9.448 1.805 1.00 0.00 H new ATOM 0 H1 DG B 107 -3.782 -9.338 -1.982 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.545 -9.302 1.058 1.00 0.00 H new ATOM 0 H22 DG B 107 -5.639 -9.293 -0.706 1.00 0.00 H new ATOM 484 P DC B 108 -1.672 -11.711 7.353 1.00 0.00 P ATOM 485 OP1 DC B 108 -3.090 -11.692 7.754 1.00 0.00 O ATOM 486 OP2 DC B 108 -0.648 -11.314 8.338 1.00 0.00 O ATOM 487 O5' DC B 108 -1.384 -13.217 6.895 1.00 0.00 O ATOM 488 C5' DC B 108 -1.840 -13.651 5.631 1.00 0.00 C ATOM 489 C4' DC B 108 -1.837 -15.164 5.436 1.00 0.00 C ATOM 490 O4' DC B 108 -2.803 -15.451 4.431 1.00 0.00 O ATOM 491 C3' DC B 108 -0.470 -15.640 4.921 1.00 0.00 C ATOM 492 O3' DC B 108 0.107 -16.586 5.802 1.00 0.00 O ATOM 493 C2' DC B 108 -0.727 -16.240 3.544 1.00 0.00 C ATOM 494 C1' DC B 108 -2.215 -16.010 3.261 1.00 0.00 C ATOM 495 N1 DC B 108 -2.420 -15.181 2.030 1.00 0.00 N ATOM 496 C2 DC B 108 -2.702 -15.827 0.821 1.00 0.00 C ATOM 497 O2 DC B 108 -2.958 -17.035 0.783 1.00 0.00 O ATOM 498 N3 DC B 108 -2.656 -15.130 -0.352 1.00 0.00 N ATOM 499 C4 DC B 108 -2.297 -13.839 -0.352 1.00 0.00 C ATOM 500 N4 DC B 108 -2.209 -13.208 -1.512 1.00 0.00 N ATOM 501 C5 DC B 108 -2.040 -13.133 0.865 1.00 0.00 C ATOM 502 C6 DC B 108 -2.142 -13.836 2.019 1.00 0.00 C ATOM 0 H5' DC B 108 -1.217 -13.198 4.860 1.00 0.00 H new ATOM 0 H5'' DC B 108 -2.854 -13.281 5.479 1.00 0.00 H new ATOM 0 H4' DC B 108 -2.053 -15.661 6.382 1.00 0.00 H new ATOM 0 H3' DC B 108 0.242 -14.817 4.862 1.00 0.00 H new ATOM 0 H2' DC B 108 -0.106 -15.761 2.787 1.00 0.00 H new ATOM 0 H2'' DC B 108 -0.486 -17.303 3.529 1.00 0.00 H new ATOM 0 HO3' DC B 108 0.975 -16.874 5.450 1.00 0.00 H new ATOM 0 H1' DC B 108 -2.715 -16.954 3.042 1.00 0.00 H new ATOM 0 H41 DC B 108 -1.938 -12.225 -1.539 1.00 0.00 H new ATOM 0 H42 DC B 108 -2.412 -13.705 -2.379 1.00 0.00 H new ATOM 0 H5 DC B 108 -1.776 -12.086 0.864 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.000 -13.323 2.959 1.00 0.00 H new TER 515 DC B 108