USER MOD reduce.3.24.130724 H: found=0, std=0, add=163, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 163 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 -22:sc= 0.00931 USER MOD Single : A 1 G O5' : rot 26:sc= 0.057 USER MOD Single : A 2 A O2' : rot -19:sc= 0.0508 USER MOD Single : A 3 G O2' : rot -18:sc= 0.0235 USER MOD Single : A 4 G O2' : rot -20:sc= 0.00546 USER MOD Single : A 5 A O2' : rot -20:sc= 0.0285 USER MOD Single : A 6 C O2' : rot -19:sc= 0.07 USER MOD Single : A 7 A O2' : rot -17:sc= 0.692 USER MOD Single : A 8 U O2' : rot 28:sc= 0.0734 USER MOD Single : A 9 A O2' : rot 65:sc= 1.05 USER MOD Single : A 10 G O2' : rot 136:sc= 0.57 USER MOD Single : A 11 U O2' : rot 180:sc= 0 USER MOD Single : A 12 C O2' : rot 180:sc= 0 USER MOD Single : A 13 U O2' : rot -113:sc= 0.571 USER MOD Single : A 14 U O2' : rot -117:sc= 0.0346 USER MOD Single : A 15 C O2' : rot -17:sc= 0.0185 USER MOD Single : A 15 C O3' : rot 180:sc= 0.0263 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 0.332 -7.724 13.115 1.00 0.00 O ATOM 2 C5' G A 1 -0.233 -8.727 12.293 1.00 0.00 C ATOM 3 C4' G A 1 0.855 -9.632 11.693 1.00 0.00 C ATOM 4 O4' G A 1 0.270 -10.694 10.947 1.00 0.00 O ATOM 5 C3' G A 1 1.794 -8.905 10.719 1.00 0.00 C ATOM 6 O3' G A 1 2.827 -8.197 11.392 1.00 0.00 O ATOM 7 C2' G A 1 2.284 -10.074 9.862 1.00 0.00 C ATOM 8 O2' G A 1 3.286 -10.861 10.489 1.00 0.00 O ATOM 9 C1' G A 1 0.992 -10.890 9.732 1.00 0.00 C ATOM 10 N9 G A 1 0.174 -10.475 8.555 1.00 0.00 N ATOM 11 C8 G A 1 -1.035 -9.817 8.526 1.00 0.00 C ATOM 12 N7 G A 1 -1.510 -9.612 7.331 1.00 0.00 N ATOM 13 C5 G A 1 -0.555 -10.172 6.487 1.00 0.00 C ATOM 14 C6 G A 1 -0.511 -10.257 5.047 1.00 0.00 C ATOM 15 O6 G A 1 -1.334 -9.836 4.237 1.00 0.00 O ATOM 16 N1 G A 1 0.632 -10.907 4.564 1.00 0.00 N ATOM 17 C2 G A 1 1.626 -11.418 5.384 1.00 0.00 C ATOM 18 N2 G A 1 2.657 -12.004 4.781 1.00 0.00 N ATOM 19 N3 G A 1 1.593 -11.344 6.733 1.00 0.00 N ATOM 20 C4 G A 1 0.480 -10.710 7.232 1.00 0.00 C ATOM 0 H5' G A 1 -0.807 -8.263 11.491 1.00 0.00 H new ATOM 0 H5'' G A 1 -0.930 -9.329 12.876 1.00 0.00 H new ATOM 0 H4' G A 1 1.423 -9.986 12.553 1.00 0.00 H new ATOM 0 H3' G A 1 1.328 -8.113 10.133 1.00 0.00 H new ATOM 0 H2' G A 1 2.748 -9.747 8.931 1.00 0.00 H new ATOM 0 HO2' G A 1 3.726 -10.334 11.188 1.00 0.00 H new ATOM 0 HO5' G A 1 1.250 -7.541 12.824 1.00 0.00 H new ATOM 0 H1' G A 1 1.227 -11.942 9.568 1.00 0.00 H new ATOM 0 H8 G A 1 -1.548 -9.497 9.421 1.00 0.00 H new ATOM 0 H1 G A 1 0.739 -11.010 3.555 1.00 0.00 H new ATOM 0 H21 G A 1 3.417 -12.397 5.337 1.00 0.00 H new ATOM 0 H22 G A 1 2.688 -12.060 3.763 1.00 0.00 H new ATOM 33 P A A 2 3.492 -6.852 10.782 1.00 0.00 P ATOM 34 OP1 A A 2 4.496 -6.369 11.755 1.00 0.00 O ATOM 35 OP2 A A 2 2.394 -5.952 10.360 1.00 0.00 O ATOM 36 O5' A A 2 4.254 -7.373 9.452 1.00 0.00 O ATOM 37 C5' A A 2 5.400 -8.209 9.516 1.00 0.00 C ATOM 38 C4' A A 2 5.867 -8.651 8.120 1.00 0.00 C ATOM 39 O4' A A 2 4.859 -9.450 7.506 1.00 0.00 O ATOM 40 C3' A A 2 6.172 -7.524 7.116 1.00 0.00 C ATOM 41 O3' A A 2 7.465 -6.928 7.207 1.00 0.00 O ATOM 42 C2' A A 2 6.005 -8.280 5.793 1.00 0.00 C ATOM 43 O2' A A 2 7.138 -9.062 5.438 1.00 0.00 O ATOM 44 C1' A A 2 4.817 -9.195 6.106 1.00 0.00 C ATOM 45 N9 A A 2 3.520 -8.581 5.696 1.00 0.00 N ATOM 46 C8 A A 2 2.493 -8.095 6.472 1.00 0.00 C ATOM 47 N7 A A 2 1.472 -7.641 5.796 1.00 0.00 N ATOM 48 C5 A A 2 1.835 -7.840 4.464 1.00 0.00 C ATOM 49 C6 A A 2 1.196 -7.589 3.212 1.00 0.00 C ATOM 50 N6 A A 2 -0.017 -7.044 3.083 1.00 0.00 N ATOM 51 N1 A A 2 1.842 -7.906 2.064 1.00 0.00 N ATOM 52 C2 A A 2 3.058 -8.460 2.142 1.00 0.00 C ATOM 53 N3 A A 2 3.760 -8.753 3.245 1.00 0.00 N ATOM 54 C4 A A 2 3.089 -8.415 4.396 1.00 0.00 C ATOM 0 H5' A A 2 5.174 -9.089 10.118 1.00 0.00 H new ATOM 0 H5'' A A 2 6.209 -7.678 10.018 1.00 0.00 H new ATOM 0 H4' A A 2 6.800 -9.178 8.320 1.00 0.00 H new ATOM 0 H3' A A 2 5.529 -6.658 7.274 1.00 0.00 H new ATOM 0 H2' A A 2 5.870 -7.604 4.948 1.00 0.00 H new ATOM 0 HO2' A A 2 7.922 -8.746 5.933 1.00 0.00 H new ATOM 0 H1' A A 2 4.889 -10.124 5.541 1.00 0.00 H new ATOM 0 H8 A A 2 2.528 -8.089 7.551 1.00 0.00 H new ATOM 0 H61 A A 2 -0.412 -6.893 2.155 1.00 0.00 H new ATOM 0 H62 A A 2 -0.548 -6.779 3.913 1.00 0.00 H new ATOM 0 H2 A A 2 3.531 -8.700 1.201 1.00 0.00 H new ATOM 66 P G A 3 7.786 -5.593 8.072 1.00 0.00 P ATOM 67 OP1 G A 3 9.030 -5.005 7.523 1.00 0.00 O ATOM 68 OP2 G A 3 7.730 -5.937 9.507 1.00 0.00 O ATOM 69 O5' G A 3 6.544 -4.591 7.742 1.00 0.00 O ATOM 70 C5' G A 3 6.534 -3.662 6.665 1.00 0.00 C ATOM 71 C4' G A 3 6.628 -4.309 5.271 1.00 0.00 C ATOM 72 O4' G A 3 5.515 -5.137 4.975 1.00 0.00 O ATOM 73 C3' G A 3 6.611 -3.268 4.153 1.00 0.00 C ATOM 74 O3' G A 3 7.842 -2.558 4.069 1.00 0.00 O ATOM 75 C2' G A 3 6.289 -4.157 2.947 1.00 0.00 C ATOM 76 O2' G A 3 7.424 -4.832 2.426 1.00 0.00 O ATOM 77 C1' G A 3 5.309 -5.174 3.562 1.00 0.00 C ATOM 78 N9 G A 3 3.889 -4.851 3.243 1.00 0.00 N ATOM 79 C8 G A 3 2.870 -4.514 4.106 1.00 0.00 C ATOM 80 N7 G A 3 1.726 -4.280 3.528 1.00 0.00 N ATOM 81 C5 G A 3 1.983 -4.480 2.174 1.00 0.00 C ATOM 82 C6 G A 3 1.107 -4.383 1.032 1.00 0.00 C ATOM 83 O6 G A 3 -0.086 -4.093 1.010 1.00 0.00 O ATOM 84 N1 G A 3 1.744 -4.665 -0.184 1.00 0.00 N ATOM 85 C2 G A 3 3.083 -5.009 -0.281 1.00 0.00 C ATOM 86 N2 G A 3 3.548 -5.238 -1.507 1.00 0.00 N ATOM 87 N3 G A 3 3.909 -5.112 0.784 1.00 0.00 N ATOM 88 C4 G A 3 3.308 -4.836 1.990 1.00 0.00 C ATOM 0 H5' G A 3 7.367 -2.971 6.789 1.00 0.00 H new ATOM 0 H5'' G A 3 5.619 -3.072 6.718 1.00 0.00 H new ATOM 0 H4' G A 3 7.560 -4.872 5.309 1.00 0.00 H new ATOM 0 H3' G A 3 5.899 -2.452 4.275 1.00 0.00 H new ATOM 0 H2' G A 3 5.904 -3.585 2.103 1.00 0.00 H new ATOM 0 HO2' G A 3 8.240 -4.392 2.743 1.00 0.00 H new ATOM 0 H1' G A 3 5.498 -6.165 3.149 1.00 0.00 H new ATOM 0 H8 G A 3 3.008 -4.449 5.175 1.00 0.00 H new ATOM 0 H1 G A 3 1.194 -4.614 -1.042 1.00 0.00 H new ATOM 0 H21 G A 3 4.526 -5.495 -1.642 1.00 0.00 H new ATOM 0 H22 G A 3 2.926 -5.156 -2.312 1.00 0.00 H new ATOM 100 P G A 4 7.918 -1.004 3.621 1.00 0.00 P ATOM 101 OP1 G A 4 9.318 -0.550 3.780 1.00 0.00 O ATOM 102 OP2 G A 4 6.828 -0.263 4.295 1.00 0.00 O ATOM 103 O5' G A 4 7.569 -1.079 2.045 1.00 0.00 O ATOM 104 C5' G A 4 8.490 -1.596 1.096 1.00 0.00 C ATOM 105 C4' G A 4 7.849 -1.749 -0.289 1.00 0.00 C ATOM 106 O4' G A 4 6.747 -2.651 -0.261 1.00 0.00 O ATOM 107 C3' G A 4 7.302 -0.446 -0.889 1.00 0.00 C ATOM 108 O3' G A 4 8.329 0.398 -1.403 1.00 0.00 O ATOM 109 C2' G A 4 6.361 -1.030 -1.949 1.00 0.00 C ATOM 110 O2' G A 4 7.028 -1.490 -3.116 1.00 0.00 O ATOM 111 C1' G A 4 5.758 -2.220 -1.193 1.00 0.00 C ATOM 112 N9 G A 4 4.489 -1.855 -0.498 1.00 0.00 N ATOM 113 C8 G A 4 4.260 -1.619 0.839 1.00 0.00 C ATOM 114 N7 G A 4 3.021 -1.349 1.137 1.00 0.00 N ATOM 115 C5 G A 4 2.360 -1.401 -0.088 1.00 0.00 C ATOM 116 C6 G A 4 0.970 -1.192 -0.411 1.00 0.00 C ATOM 117 O6 G A 4 0.044 -0.916 0.347 1.00 0.00 O ATOM 118 N1 G A 4 0.691 -1.337 -1.777 1.00 0.00 N ATOM 119 C2 G A 4 1.651 -1.650 -2.725 1.00 0.00 C ATOM 120 N2 G A 4 1.234 -1.749 -3.986 1.00 0.00 N ATOM 121 N3 G A 4 2.954 -1.853 -2.430 1.00 0.00 N ATOM 122 C4 G A 4 3.255 -1.713 -1.096 1.00 0.00 C ATOM 0 H5' G A 4 8.858 -2.564 1.436 1.00 0.00 H new ATOM 0 H5'' G A 4 9.353 -0.933 1.027 1.00 0.00 H new ATOM 0 H4' G A 4 8.672 -2.113 -0.904 1.00 0.00 H new ATOM 0 H3' G A 4 6.811 0.230 -0.188 1.00 0.00 H new ATOM 0 H2' G A 4 5.652 -0.291 -2.322 1.00 0.00 H new ATOM 0 HO2' G A 4 7.915 -1.076 -3.171 1.00 0.00 H new ATOM 0 H1' G A 4 5.495 -3.017 -1.888 1.00 0.00 H new ATOM 0 H8 G A 4 5.044 -1.655 1.581 1.00 0.00 H new ATOM 0 H1 G A 4 -0.271 -1.205 -2.090 1.00 0.00 H new ATOM 0 H21 G A 4 1.898 -1.977 -4.726 1.00 0.00 H new ATOM 0 H22 G A 4 0.251 -1.597 -4.211 1.00 0.00 H new ATOM 134 P A A 5 8.131 2.000 -1.583 1.00 0.00 P ATOM 135 OP1 A A 5 9.402 2.559 -2.097 1.00 0.00 O ATOM 136 OP2 A A 5 7.543 2.551 -0.342 1.00 0.00 O ATOM 137 O5' A A 5 7.012 2.114 -2.744 1.00 0.00 O ATOM 138 C5' A A 5 7.290 1.815 -4.105 1.00 0.00 C ATOM 139 C4' A A 5 6.002 1.799 -4.942 1.00 0.00 C ATOM 140 O4' A A 5 5.055 0.868 -4.435 1.00 0.00 O ATOM 141 C3' A A 5 5.279 3.149 -4.982 1.00 0.00 C ATOM 142 O3' A A 5 5.879 4.046 -5.910 1.00 0.00 O ATOM 143 C2' A A 5 3.863 2.707 -5.360 1.00 0.00 C ATOM 144 O2' A A 5 3.694 2.471 -6.751 1.00 0.00 O ATOM 145 C1' A A 5 3.738 1.388 -4.585 1.00 0.00 C ATOM 146 N9 A A 5 3.080 1.586 -3.260 1.00 0.00 N ATOM 147 C8 A A 5 3.623 1.572 -1.995 1.00 0.00 C ATOM 148 N7 A A 5 2.764 1.753 -1.031 1.00 0.00 N ATOM 149 C5 A A 5 1.549 1.904 -1.696 1.00 0.00 C ATOM 150 C6 A A 5 0.209 2.133 -1.265 1.00 0.00 C ATOM 151 N6 A A 5 -0.147 2.259 0.017 1.00 0.00 N ATOM 152 N1 A A 5 -0.772 2.245 -2.191 1.00 0.00 N ATOM 153 C2 A A 5 -0.452 2.131 -3.485 1.00 0.00 C ATOM 154 N3 A A 5 0.757 1.911 -4.019 1.00 0.00 N ATOM 155 C4 A A 5 1.735 1.805 -3.062 1.00 0.00 C ATOM 0 H5' A A 5 7.784 0.846 -4.174 1.00 0.00 H new ATOM 0 H5'' A A 5 7.981 2.555 -4.509 1.00 0.00 H new ATOM 0 H4' A A 5 6.344 1.529 -5.941 1.00 0.00 H new ATOM 0 H3' A A 5 5.312 3.722 -4.055 1.00 0.00 H new ATOM 0 H2' A A 5 3.116 3.466 -5.126 1.00 0.00 H new ATOM 0 HO2' A A 5 4.399 2.934 -7.249 1.00 0.00 H new ATOM 0 H1' A A 5 3.106 0.687 -5.131 1.00 0.00 H new ATOM 0 H8 A A 5 4.677 1.423 -1.815 1.00 0.00 H new ATOM 0 H61 A A 5 -1.124 2.422 0.261 1.00 0.00 H new ATOM 0 H62 A A 5 0.558 2.192 0.751 1.00 0.00 H new ATOM 0 H2 A A 5 -1.268 2.228 -4.185 1.00 0.00 H new ATOM 167 P C A 6 5.983 5.635 -5.626 1.00 0.00 P ATOM 168 OP1 C A 6 6.646 6.261 -6.793 1.00 0.00 O ATOM 169 OP2 C A 6 6.561 5.815 -4.275 1.00 0.00 O ATOM 170 O5' C A 6 4.427 6.099 -5.599 1.00 0.00 O ATOM 171 C5' C A 6 3.636 6.156 -6.781 1.00 0.00 C ATOM 172 C4' C A 6 2.140 6.354 -6.481 1.00 0.00 C ATOM 173 O4' C A 6 1.645 5.328 -5.633 1.00 0.00 O ATOM 174 C3' C A 6 1.803 7.670 -5.777 1.00 0.00 C ATOM 175 O3' C A 6 1.744 8.775 -6.677 1.00 0.00 O ATOM 176 C2' C A 6 0.443 7.325 -5.159 1.00 0.00 C ATOM 177 O2' C A 6 -0.642 7.489 -6.061 1.00 0.00 O ATOM 178 C1' C A 6 0.600 5.837 -4.807 1.00 0.00 C ATOM 179 N1 C A 6 0.853 5.640 -3.338 1.00 0.00 N ATOM 180 C2 C A 6 -0.221 5.841 -2.436 1.00 0.00 C ATOM 181 O2 C A 6 -1.339 6.183 -2.824 1.00 0.00 O ATOM 182 N3 C A 6 -0.015 5.659 -1.095 1.00 0.00 N ATOM 183 C4 C A 6 1.185 5.288 -0.624 1.00 0.00 C ATOM 184 N4 C A 6 1.313 5.118 0.690 1.00 0.00 N ATOM 185 C5 C A 6 2.299 5.066 -1.513 1.00 0.00 C ATOM 186 C6 C A 6 2.094 5.257 -2.846 1.00 0.00 C ATOM 0 H5' C A 6 3.770 5.235 -7.349 1.00 0.00 H new ATOM 0 H5'' C A 6 3.988 6.973 -7.411 1.00 0.00 H new ATOM 0 H4' C A 6 1.678 6.344 -7.468 1.00 0.00 H new ATOM 0 H3' C A 6 2.549 7.997 -5.052 1.00 0.00 H new ATOM 0 H2' C A 6 0.209 7.977 -4.318 1.00 0.00 H new ATOM 0 HO2' C A 6 -0.366 8.065 -6.804 1.00 0.00 H new ATOM 0 H1' C A 6 -0.319 5.285 -5.001 1.00 0.00 H new ATOM 0 H41 C A 6 2.211 4.836 1.083 1.00 0.00 H new ATOM 0 H42 C A 6 0.513 5.270 1.304 1.00 0.00 H new ATOM 0 H5 C A 6 3.263 4.759 -1.135 1.00 0.00 H new ATOM 0 H6 C A 6 2.913 5.108 -3.534 1.00 0.00 H new ATOM 198 P A A 7 2.427 10.210 -6.360 1.00 0.00 P ATOM 199 OP1 A A 7 1.812 11.211 -7.259 1.00 0.00 O ATOM 200 OP2 A A 7 3.894 10.023 -6.370 1.00 0.00 O ATOM 201 O5' A A 7 1.993 10.560 -4.840 1.00 0.00 O ATOM 202 C5' A A 7 0.648 10.803 -4.453 1.00 0.00 C ATOM 203 C4' A A 7 0.493 10.775 -2.919 1.00 0.00 C ATOM 204 O4' A A 7 1.026 9.562 -2.398 1.00 0.00 O ATOM 205 C3' A A 7 1.209 11.940 -2.214 1.00 0.00 C ATOM 206 O3' A A 7 0.404 12.401 -1.133 1.00 0.00 O ATOM 207 C2' A A 7 2.516 11.282 -1.758 1.00 0.00 C ATOM 208 O2' A A 7 3.124 11.869 -0.621 1.00 0.00 O ATOM 209 C1' A A 7 2.076 9.841 -1.484 1.00 0.00 C ATOM 210 N9 A A 7 3.188 8.874 -1.676 1.00 0.00 N ATOM 211 C8 A A 7 3.906 8.622 -2.820 1.00 0.00 C ATOM 212 N7 A A 7 4.821 7.707 -2.696 1.00 0.00 N ATOM 213 C5 A A 7 4.716 7.306 -1.369 1.00 0.00 C ATOM 214 C6 A A 7 5.408 6.343 -0.576 1.00 0.00 C ATOM 215 N6 A A 7 6.393 5.569 -1.046 1.00 0.00 N ATOM 216 N1 A A 7 5.055 6.181 0.725 1.00 0.00 N ATOM 217 C2 A A 7 4.068 6.942 1.218 1.00 0.00 C ATOM 218 N3 A A 7 3.343 7.874 0.581 1.00 0.00 N ATOM 219 C4 A A 7 3.716 8.017 -0.733 1.00 0.00 C ATOM 0 H5' A A 7 -0.003 10.052 -4.900 1.00 0.00 H new ATOM 0 H5'' A A 7 0.327 11.772 -4.836 1.00 0.00 H new ATOM 0 H4' A A 7 -0.576 10.862 -2.725 1.00 0.00 H new ATOM 0 H3' A A 7 1.391 12.823 -2.826 1.00 0.00 H new ATOM 0 H2' A A 7 3.298 11.389 -2.510 1.00 0.00 H new ATOM 0 HO2' A A 7 2.753 12.765 -0.478 1.00 0.00 H new ATOM 0 H1' A A 7 1.754 9.739 -0.448 1.00 0.00 H new ATOM 0 H8 A A 7 3.725 9.143 -3.749 1.00 0.00 H new ATOM 0 H61 A A 7 6.852 4.897 -0.430 1.00 0.00 H new ATOM 0 H62 A A 7 6.685 5.651 -2.020 1.00 0.00 H new ATOM 0 H2 A A 7 3.826 6.785 2.259 1.00 0.00 H new ATOM 231 P U A 8 0.348 13.961 -0.714 1.00 0.00 P ATOM 232 OP1 U A 8 -0.438 14.692 -1.734 1.00 0.00 O ATOM 233 OP2 U A 8 1.723 14.402 -0.385 1.00 0.00 O ATOM 234 O5' U A 8 -0.495 13.898 0.658 1.00 0.00 O ATOM 235 C5' U A 8 -1.879 13.575 0.694 1.00 0.00 C ATOM 236 C4' U A 8 -2.303 13.144 2.107 1.00 0.00 C ATOM 237 O4' U A 8 -1.631 11.936 2.426 1.00 0.00 O ATOM 238 C3' U A 8 -1.960 14.178 3.205 1.00 0.00 C ATOM 239 O3' U A 8 -3.018 14.331 4.151 1.00 0.00 O ATOM 240 C2' U A 8 -0.707 13.559 3.837 1.00 0.00 C ATOM 241 O2' U A 8 -0.476 13.935 5.184 1.00 0.00 O ATOM 242 C1' U A 8 -0.982 12.063 3.676 1.00 0.00 C ATOM 243 N1 U A 8 0.264 11.235 3.722 1.00 0.00 N ATOM 244 C2 U A 8 0.492 10.408 4.845 1.00 0.00 C ATOM 245 O2 U A 8 -0.274 10.330 5.806 1.00 0.00 O ATOM 246 N3 U A 8 1.665 9.649 4.838 1.00 0.00 N ATOM 247 C4 U A 8 2.622 9.645 3.823 1.00 0.00 C ATOM 248 O4 U A 8 3.619 8.937 3.926 1.00 0.00 O ATOM 249 C5 U A 8 2.316 10.524 2.701 1.00 0.00 C ATOM 250 C6 U A 8 1.178 11.273 2.677 1.00 0.00 C ATOM 0 H5' U A 8 -2.088 12.773 -0.014 1.00 0.00 H new ATOM 0 H5'' U A 8 -2.467 14.438 0.381 1.00 0.00 H new ATOM 0 H4' U A 8 -3.387 13.035 2.090 1.00 0.00 H new ATOM 0 H3' U A 8 -1.807 15.187 2.823 1.00 0.00 H new ATOM 0 H2' U A 8 0.212 13.900 3.360 1.00 0.00 H new ATOM 0 HO2' U A 8 -1.330 14.150 5.615 1.00 0.00 H new ATOM 0 H1' U A 8 -1.592 11.694 4.500 1.00 0.00 H new ATOM 0 H3 U A 8 1.836 9.047 5.643 1.00 0.00 H new ATOM 0 H5 U A 8 3.005 10.583 1.872 1.00 0.00 H new ATOM 0 H6 U A 8 0.983 11.910 1.827 1.00 0.00 H new ATOM 261 P A A 9 -4.391 15.136 3.823 1.00 0.00 P ATOM 262 OP1 A A 9 -4.151 16.077 2.704 1.00 0.00 O ATOM 263 OP2 A A 9 -4.939 15.643 5.101 1.00 0.00 O ATOM 264 O5' A A 9 -5.351 13.954 3.278 1.00 0.00 O ATOM 265 C5' A A 9 -5.794 12.905 4.123 1.00 0.00 C ATOM 266 C4' A A 9 -6.438 11.780 3.296 1.00 0.00 C ATOM 267 O4' A A 9 -5.435 11.105 2.538 1.00 0.00 O ATOM 268 C3' A A 9 -7.106 10.732 4.203 1.00 0.00 C ATOM 269 O3' A A 9 -8.278 10.232 3.556 1.00 0.00 O ATOM 270 C2' A A 9 -5.976 9.715 4.338 1.00 0.00 C ATOM 271 O2' A A 9 -6.385 8.429 4.761 1.00 0.00 O ATOM 272 C1' A A 9 -5.347 9.745 2.941 1.00 0.00 C ATOM 273 N9 A A 9 -3.934 9.269 2.915 1.00 0.00 N ATOM 274 C8 A A 9 -3.208 8.695 3.934 1.00 0.00 C ATOM 275 N7 A A 9 -1.986 8.369 3.621 1.00 0.00 N ATOM 276 C5 A A 9 -1.879 8.745 2.285 1.00 0.00 C ATOM 277 C6 A A 9 -0.825 8.671 1.326 1.00 0.00 C ATOM 278 N6 A A 9 0.378 8.160 1.598 1.00 0.00 N ATOM 279 N1 A A 9 -1.034 9.131 0.069 1.00 0.00 N ATOM 280 C2 A A 9 -2.234 9.643 -0.230 1.00 0.00 C ATOM 281 N3 A A 9 -3.306 9.764 0.570 1.00 0.00 N ATOM 282 C4 A A 9 -3.068 9.291 1.839 1.00 0.00 C ATOM 0 H5' A A 9 -6.514 13.291 4.845 1.00 0.00 H new ATOM 0 H5'' A A 9 -4.953 12.509 4.692 1.00 0.00 H new ATOM 0 H4' A A 9 -7.185 12.239 2.648 1.00 0.00 H new ATOM 0 H3' A A 9 -7.467 11.073 5.173 1.00 0.00 H new ATOM 0 H2' A A 9 -5.274 9.968 5.133 1.00 0.00 H new ATOM 0 HO2' A A 9 -6.961 8.028 4.077 1.00 0.00 H new ATOM 0 H1' A A 9 -5.870 9.065 2.269 1.00 0.00 H new ATOM 0 H8 A A 9 -3.620 8.528 4.918 1.00 0.00 H new ATOM 0 H61 A A 9 1.096 8.132 0.874 1.00 0.00 H new ATOM 0 H62 A A 9 0.579 7.798 2.530 1.00 0.00 H new ATOM 0 H2 A A 9 -2.355 10.004 -1.241 1.00 0.00 H new ATOM 294 P G A 10 -9.690 10.004 4.328 1.00 0.00 P ATOM 295 OP1 G A 10 -10.768 9.991 3.314 1.00 0.00 O ATOM 296 OP2 G A 10 -9.778 10.946 5.466 1.00 0.00 O ATOM 297 O5' G A 10 -9.501 8.509 4.934 1.00 0.00 O ATOM 298 C5' G A 10 -9.990 7.324 4.312 1.00 0.00 C ATOM 299 C4' G A 10 -9.459 7.070 2.885 1.00 0.00 C ATOM 300 O4' G A 10 -8.041 7.200 2.853 1.00 0.00 O ATOM 301 C3' G A 10 -9.793 5.644 2.395 1.00 0.00 C ATOM 302 O3' G A 10 -10.242 5.708 1.039 1.00 0.00 O ATOM 303 C2' G A 10 -8.427 4.958 2.570 1.00 0.00 C ATOM 304 O2' G A 10 -8.232 3.772 1.829 1.00 0.00 O ATOM 305 C1' G A 10 -7.499 6.101 2.155 1.00 0.00 C ATOM 306 N9 G A 10 -6.065 5.865 2.462 1.00 0.00 N ATOM 307 C8 G A 10 -5.476 5.388 3.609 1.00 0.00 C ATOM 308 N7 G A 10 -4.184 5.231 3.525 1.00 0.00 N ATOM 309 C5 G A 10 -3.874 5.630 2.226 1.00 0.00 C ATOM 310 C6 G A 10 -2.610 5.685 1.528 1.00 0.00 C ATOM 311 O6 G A 10 -1.493 5.388 1.945 1.00 0.00 O ATOM 312 N1 G A 10 -2.726 6.153 0.211 1.00 0.00 N ATOM 313 C2 G A 10 -3.930 6.529 -0.365 1.00 0.00 C ATOM 314 N2 G A 10 -3.892 6.954 -1.627 1.00 0.00 N ATOM 315 N3 G A 10 -5.113 6.479 0.279 1.00 0.00 N ATOM 316 C4 G A 10 -5.029 6.019 1.570 1.00 0.00 C ATOM 0 H5' G A 10 -11.078 7.373 4.275 1.00 0.00 H new ATOM 0 H5'' G A 10 -9.731 6.470 4.937 1.00 0.00 H new ATOM 0 H4' G A 10 -9.939 7.806 2.240 1.00 0.00 H new ATOM 0 H3' G A 10 -10.591 5.117 2.918 1.00 0.00 H new ATOM 0 H2' G A 10 -8.269 4.568 3.575 1.00 0.00 H new ATOM 0 HO2' G A 10 -7.340 3.783 1.422 1.00 0.00 H new ATOM 0 H1' G A 10 -7.471 6.242 1.075 1.00 0.00 H new ATOM 0 H8 G A 10 -6.036 5.162 4.504 1.00 0.00 H new ATOM 0 H1 G A 10 -1.879 6.220 -0.354 1.00 0.00 H new ATOM 0 H21 G A 10 -4.752 7.242 -2.094 1.00 0.00 H new ATOM 0 H22 G A 10 -3.003 6.992 -2.126 1.00 0.00 H new ATOM 328 P U A 11 -10.966 4.473 0.266 1.00 0.00 P ATOM 329 OP1 U A 11 -12.247 4.964 -0.289 1.00 0.00 O ATOM 330 OP2 U A 11 -10.960 3.275 1.138 1.00 0.00 O ATOM 331 O5' U A 11 -9.922 4.207 -0.947 1.00 0.00 O ATOM 332 C5' U A 11 -9.923 4.992 -2.133 1.00 0.00 C ATOM 333 C4' U A 11 -8.679 4.755 -3.006 1.00 0.00 C ATOM 334 O4' U A 11 -7.496 5.209 -2.361 1.00 0.00 O ATOM 335 C3' U A 11 -8.373 3.295 -3.358 1.00 0.00 C ATOM 336 O3' U A 11 -9.261 2.718 -4.309 1.00 0.00 O ATOM 337 C2' U A 11 -6.930 3.444 -3.851 1.00 0.00 C ATOM 338 O2' U A 11 -6.812 3.922 -5.185 1.00 0.00 O ATOM 339 C1' U A 11 -6.374 4.497 -2.886 1.00 0.00 C ATOM 340 N1 U A 11 -5.525 3.870 -1.824 1.00 0.00 N ATOM 341 C2 U A 11 -4.158 3.655 -2.105 1.00 0.00 C ATOM 342 O2 U A 11 -3.630 3.927 -3.183 1.00 0.00 O ATOM 343 N3 U A 11 -3.390 3.098 -1.083 1.00 0.00 N ATOM 344 C4 U A 11 -3.854 2.726 0.174 1.00 0.00 C ATOM 345 O4 U A 11 -3.081 2.241 0.994 1.00 0.00 O ATOM 346 C5 U A 11 -5.276 2.967 0.385 1.00 0.00 C ATOM 347 C6 U A 11 -6.054 3.516 -0.591 1.00 0.00 C ATOM 0 H5' U A 11 -9.977 6.047 -1.865 1.00 0.00 H new ATOM 0 H5'' U A 11 -10.817 4.764 -2.713 1.00 0.00 H new ATOM 0 H4' U A 11 -8.934 5.304 -3.913 1.00 0.00 H new ATOM 0 H3' U A 11 -8.501 2.595 -2.532 1.00 0.00 H new ATOM 0 H2' U A 11 -6.415 2.483 -3.865 1.00 0.00 H new ATOM 0 HO2' U A 11 -5.864 3.991 -5.425 1.00 0.00 H new ATOM 0 H1' U A 11 -5.709 5.192 -3.398 1.00 0.00 H new ATOM 0 H3 U A 11 -2.399 2.950 -1.275 1.00 0.00 H new ATOM 0 H5 U A 11 -5.722 2.706 1.333 1.00 0.00 H new ATOM 0 H6 U A 11 -7.104 3.679 -0.400 1.00 0.00 H new ATOM 358 P C A 12 -9.402 1.108 -4.487 1.00 0.00 P ATOM 359 OP1 C A 12 -10.373 0.856 -5.575 1.00 0.00 O ATOM 360 OP2 C A 12 -9.641 0.518 -3.151 1.00 0.00 O ATOM 361 O5' C A 12 -7.934 0.620 -4.981 1.00 0.00 O ATOM 362 C5' C A 12 -7.457 0.861 -6.297 1.00 0.00 C ATOM 363 C4' C A 12 -5.967 0.512 -6.453 1.00 0.00 C ATOM 364 O4' C A 12 -5.146 1.169 -5.493 1.00 0.00 O ATOM 365 C3' C A 12 -5.640 -0.974 -6.283 1.00 0.00 C ATOM 366 O3' C A 12 -6.038 -1.767 -7.398 1.00 0.00 O ATOM 367 C2' C A 12 -4.122 -0.888 -6.086 1.00 0.00 C ATOM 368 O2' C A 12 -3.397 -0.732 -7.297 1.00 0.00 O ATOM 369 C1' C A 12 -3.974 0.390 -5.245 1.00 0.00 C ATOM 370 N1 C A 12 -3.753 0.061 -3.793 1.00 0.00 N ATOM 371 C2 C A 12 -2.503 -0.478 -3.400 1.00 0.00 C ATOM 372 O2 C A 12 -1.600 -0.693 -4.210 1.00 0.00 O ATOM 373 N3 C A 12 -2.287 -0.776 -2.082 1.00 0.00 N ATOM 374 C4 C A 12 -3.238 -0.565 -1.159 1.00 0.00 C ATOM 375 N4 C A 12 -2.960 -0.874 0.105 1.00 0.00 N ATOM 376 C5 C A 12 -4.528 -0.027 -1.523 1.00 0.00 C ATOM 377 C6 C A 12 -4.738 0.269 -2.836 1.00 0.00 C ATOM 0 H5' C A 12 -7.610 1.910 -6.550 1.00 0.00 H new ATOM 0 H5'' C A 12 -8.041 0.274 -7.006 1.00 0.00 H new ATOM 0 H4' C A 12 -5.762 0.837 -7.473 1.00 0.00 H new ATOM 0 H3' C A 12 -6.168 -1.473 -5.471 1.00 0.00 H new ATOM 0 H2' C A 12 -3.727 -1.800 -5.639 1.00 0.00 H new ATOM 0 HO2' C A 12 -2.438 -0.683 -7.100 1.00 0.00 H new ATOM 0 H1' C A 12 -3.093 0.968 -5.524 1.00 0.00 H new ATOM 0 H41 C A 12 -3.660 -0.726 0.832 1.00 0.00 H new ATOM 0 H42 C A 12 -2.047 -1.259 0.347 1.00 0.00 H new ATOM 0 H5 C A 12 -5.297 0.135 -0.782 1.00 0.00 H new ATOM 0 H6 C A 12 -5.692 0.675 -3.140 1.00 0.00 H new ATOM 389 P U A 13 -6.262 -3.371 -7.285 1.00 0.00 P ATOM 390 OP1 U A 13 -6.660 -3.869 -8.621 1.00 0.00 O ATOM 391 OP2 U A 13 -7.131 -3.636 -6.118 1.00 0.00 O ATOM 392 O5' U A 13 -4.787 -3.945 -6.936 1.00 0.00 O ATOM 393 C5' U A 13 -3.745 -4.026 -7.898 1.00 0.00 C ATOM 394 C4' U A 13 -2.405 -4.411 -7.252 1.00 0.00 C ATOM 395 O4' U A 13 -2.017 -3.516 -6.215 1.00 0.00 O ATOM 396 C3' U A 13 -2.405 -5.796 -6.598 1.00 0.00 C ATOM 397 O3' U A 13 -2.367 -6.841 -7.564 1.00 0.00 O ATOM 398 C2' U A 13 -1.166 -5.675 -5.701 1.00 0.00 C ATOM 399 O2' U A 13 0.059 -5.855 -6.395 1.00 0.00 O ATOM 400 C1' U A 13 -1.278 -4.220 -5.215 1.00 0.00 C ATOM 401 N1 U A 13 -1.916 -4.155 -3.854 1.00 0.00 N ATOM 402 C2 U A 13 -1.097 -4.338 -2.716 1.00 0.00 C ATOM 403 O2 U A 13 0.115 -4.551 -2.770 1.00 0.00 O ATOM 404 N3 U A 13 -1.727 -4.279 -1.471 1.00 0.00 N ATOM 405 C4 U A 13 -3.087 -4.069 -1.258 1.00 0.00 C ATOM 406 O4 U A 13 -3.536 -4.043 -0.117 1.00 0.00 O ATOM 407 C5 U A 13 -3.866 -3.894 -2.478 1.00 0.00 C ATOM 408 C6 U A 13 -3.281 -3.942 -3.706 1.00 0.00 C ATOM 0 H5' U A 13 -3.642 -3.067 -8.405 1.00 0.00 H new ATOM 0 H5'' U A 13 -4.008 -4.762 -8.658 1.00 0.00 H new ATOM 0 H4' U A 13 -1.716 -4.382 -8.096 1.00 0.00 H new ATOM 0 H3' U A 13 -3.301 -6.064 -6.038 1.00 0.00 H new ATOM 0 H2' U A 13 -1.148 -6.437 -4.922 1.00 0.00 H new ATOM 0 HO2' U A 13 0.489 -6.681 -6.091 1.00 0.00 H new ATOM 0 H1' U A 13 -0.299 -3.758 -5.090 1.00 0.00 H new ATOM 0 H3 U A 13 -1.140 -4.400 -0.646 1.00 0.00 H new ATOM 0 H5 U A 13 -4.930 -3.723 -2.406 1.00 0.00 H new ATOM 0 H6 U A 13 -3.893 -3.811 -4.587 1.00 0.00 H new ATOM 419 P U A 14 -2.772 -8.372 -7.213 1.00 0.00 P ATOM 420 OP1 U A 14 -2.962 -9.100 -8.488 1.00 0.00 O ATOM 421 OP2 U A 14 -3.857 -8.366 -6.207 1.00 0.00 O ATOM 422 O5' U A 14 -1.438 -8.929 -6.491 1.00 0.00 O ATOM 423 C5' U A 14 -0.243 -9.207 -7.205 1.00 0.00 C ATOM 424 C4' U A 14 0.915 -9.507 -6.241 1.00 0.00 C ATOM 425 O4' U A 14 1.153 -8.410 -5.372 1.00 0.00 O ATOM 426 C3' U A 14 0.675 -10.704 -5.315 1.00 0.00 C ATOM 427 O3' U A 14 0.843 -11.945 -5.997 1.00 0.00 O ATOM 428 C2' U A 14 1.710 -10.418 -4.219 1.00 0.00 C ATOM 429 O2' U A 14 3.025 -10.831 -4.560 1.00 0.00 O ATOM 430 C1' U A 14 1.662 -8.884 -4.129 1.00 0.00 C ATOM 431 N1 U A 14 0.836 -8.413 -2.967 1.00 0.00 N ATOM 432 C2 U A 14 1.490 -8.143 -1.746 1.00 0.00 C ATOM 433 O2 U A 14 2.699 -8.295 -1.568 1.00 0.00 O ATOM 434 N3 U A 14 0.696 -7.681 -0.696 1.00 0.00 N ATOM 435 C4 U A 14 -0.678 -7.470 -0.747 1.00 0.00 C ATOM 436 O4 U A 14 -1.273 -7.056 0.245 1.00 0.00 O ATOM 437 C5 U A 14 -1.285 -7.781 -2.036 1.00 0.00 C ATOM 438 C6 U A 14 -0.537 -8.233 -3.082 1.00 0.00 C ATOM 0 H5' U A 14 0.015 -8.356 -7.836 1.00 0.00 H new ATOM 0 H5'' U A 14 -0.400 -10.058 -7.867 1.00 0.00 H new ATOM 0 H4' U A 14 1.753 -9.718 -6.905 1.00 0.00 H new ATOM 0 H3' U A 14 -0.337 -10.808 -4.922 1.00 0.00 H new ATOM 0 H2' U A 14 1.483 -10.954 -3.297 1.00 0.00 H new ATOM 0 HO2' U A 14 3.323 -11.523 -3.934 1.00 0.00 H new ATOM 0 H1' U A 14 2.660 -8.484 -3.950 1.00 0.00 H new ATOM 0 H3 U A 14 1.165 -7.480 0.187 1.00 0.00 H new ATOM 0 H5 U A 14 -2.349 -7.650 -2.164 1.00 0.00 H new ATOM 0 H6 U A 14 -1.022 -8.456 -4.021 1.00 0.00 H new ATOM 449 P C A 15 0.126 -13.315 -5.509 1.00 0.00 P ATOM 450 OP1 C A 15 0.421 -14.368 -6.505 1.00 0.00 O ATOM 451 OP2 C A 15 -1.280 -13.012 -5.158 1.00 0.00 O ATOM 452 O5' C A 15 0.907 -13.669 -4.137 1.00 0.00 O ATOM 453 C5' C A 15 2.238 -14.163 -4.118 1.00 0.00 C ATOM 454 C4' C A 15 2.804 -14.165 -2.689 1.00 0.00 C ATOM 455 O4' C A 15 2.804 -12.857 -2.137 1.00 0.00 O ATOM 456 C3' C A 15 2.011 -15.015 -1.690 1.00 0.00 C ATOM 457 O3' C A 15 2.241 -16.409 -1.824 1.00 0.00 O ATOM 458 C2' C A 15 2.483 -14.416 -0.358 1.00 0.00 C ATOM 459 O2' C A 15 3.729 -14.933 0.088 1.00 0.00 O ATOM 460 C1' C A 15 2.641 -12.927 -0.723 1.00 0.00 C ATOM 461 N1 C A 15 1.463 -12.127 -0.244 1.00 0.00 N ATOM 462 C2 C A 15 1.498 -11.575 1.060 1.00 0.00 C ATOM 463 O2 C A 15 2.468 -11.728 1.804 1.00 0.00 O ATOM 464 N3 C A 15 0.420 -10.862 1.511 1.00 0.00 N ATOM 465 C4 C A 15 -0.663 -10.676 0.740 1.00 0.00 C ATOM 466 N4 C A 15 -1.678 -9.976 1.242 1.00 0.00 N ATOM 467 C5 C A 15 -0.735 -11.225 -0.593 1.00 0.00 C ATOM 468 C6 C A 15 0.336 -11.939 -1.035 1.00 0.00 C ATOM 0 H5' C A 15 2.867 -13.548 -4.761 1.00 0.00 H new ATOM 0 H5'' C A 15 2.260 -15.175 -4.523 1.00 0.00 H new ATOM 0 H4' C A 15 3.804 -14.581 -2.814 1.00 0.00 H new ATOM 0 H3' C A 15 0.930 -14.974 -1.823 1.00 0.00 H new ATOM 0 H2' C A 15 1.791 -14.634 0.456 1.00 0.00 H new ATOM 0 HO2' C A 15 3.931 -15.762 -0.394 1.00 0.00 H new ATOM 0 HO3' C A 15 1.709 -16.894 -1.159 1.00 0.00 H new ATOM 0 H1' C A 15 3.512 -12.494 -0.231 1.00 0.00 H new ATOM 0 H41 C A 15 -2.515 -9.817 0.681 1.00 0.00 H new ATOM 0 H42 C A 15 -1.619 -9.598 2.188 1.00 0.00 H new ATOM 0 H5 C A 15 -1.605 -11.075 -1.215 1.00 0.00 H new ATOM 0 H6 C A 15 0.309 -12.370 -2.025 1.00 0.00 H new TER 481 C A 15