USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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 180:sc= -0.244 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.363 USER MOD Single : A 3 A O2' : rot -30:sc= 0.141 USER MOD Single : A 4 U O2' : rot -0:sc= -0.209 USER MOD Single : A 5 G O2' : rot -6:sc= 0.0999 USER MOD Single : A 6 U O2' : rot -18:sc= -0.404 USER MOD Single : A 7 C O2' : rot -17:sc= 0.122 USER MOD Single : A 8 C O2' : rot -19:sc= 0.191 USER MOD Single : A 8 C O3' : rot 180:sc= 0.234 USER MOD Single : B 9 G O2' : rot 180:sc= -0.248 USER MOD Single : B 9 G O5' : rot 180:sc= -0.0129 USER MOD Single : B 10 G O2' : rot 180:sc= -0.361 USER MOD Single : B 11 A O2' : rot -24:sc= 0.168 USER MOD Single : B 12 U O2' : rot -170:sc= -0.26 USER MOD Single : B 13 G O2' : rot -8:sc= 0.123 USER MOD Single : B 14 U O2' : rot -16:sc= -0.423 USER MOD Single : B 15 C O2' : rot -18:sc= 0.116 USER MOD Single : B 16 C O2' : rot -24:sc= 0.15 USER MOD Single : B 16 C O3' : rot 180:sc= 0.185 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.388 -8.058 5.619 1.00 0.00 O ATOM 2 C5' G A 1 6.739 -8.462 5.686 1.00 0.00 C ATOM 3 C4' G A 1 7.647 -7.329 5.204 1.00 0.00 C ATOM 4 O4' G A 1 7.383 -6.994 3.843 1.00 0.00 O ATOM 5 C3' G A 1 7.438 -6.043 5.976 1.00 0.00 C ATOM 6 O3' G A 1 8.045 -6.070 7.256 1.00 0.00 O ATOM 7 C2' G A 1 8.113 -5.073 5.038 1.00 0.00 C ATOM 8 O2' G A 1 9.515 -5.216 5.127 1.00 0.00 O ATOM 9 C1' G A 1 7.652 -5.593 3.676 1.00 0.00 C ATOM 10 N9 G A 1 6.413 -4.889 3.279 1.00 0.00 N ATOM 11 C8 G A 1 5.117 -5.338 3.307 1.00 0.00 C ATOM 12 N7 G A 1 4.243 -4.460 2.903 1.00 0.00 N ATOM 13 C5 G A 1 5.012 -3.345 2.582 1.00 0.00 C ATOM 14 C6 G A 1 4.612 -2.068 2.088 1.00 0.00 C ATOM 15 O6 G A 1 3.477 -1.670 1.836 1.00 0.00 O ATOM 16 N1 G A 1 5.703 -1.229 1.895 1.00 0.00 N ATOM 17 C2 G A 1 7.015 -1.568 2.146 1.00 0.00 C ATOM 18 N2 G A 1 7.936 -0.628 1.906 1.00 0.00 N ATOM 19 N3 G A 1 7.395 -2.764 2.612 1.00 0.00 N ATOM 20 C4 G A 1 6.343 -3.600 2.806 1.00 0.00 C ATOM 0 H5' G A 1 6.893 -9.349 5.072 1.00 0.00 H new ATOM 0 H5'' G A 1 6.996 -8.735 6.710 1.00 0.00 H new ATOM 0 H4' G A 1 8.659 -7.708 5.347 1.00 0.00 H new ATOM 0 H3' G A 1 6.399 -5.812 6.210 1.00 0.00 H new ATOM 0 H2' G A 1 7.878 -4.027 5.237 1.00 0.00 H new ATOM 0 HO2' G A 1 9.948 -4.585 4.515 1.00 0.00 H new ATOM 0 HO5' G A 1 4.812 -8.789 5.927 1.00 0.00 H new ATOM 0 H1' G A 1 8.406 -5.427 2.906 1.00 0.00 H new ATOM 0 H8 G A 1 4.845 -6.331 3.635 1.00 0.00 H new ATOM 0 H1 G A 1 5.519 -0.291 1.540 1.00 0.00 H new ATOM 0 H21 G A 1 8.922 -0.826 2.075 1.00 0.00 H new ATOM 0 H22 G A 1 7.652 0.286 1.554 1.00 0.00 H new ATOM 33 P G A 2 7.691 -4.947 8.366 1.00 0.00 P ATOM 34 OP1 G A 2 8.461 -5.255 9.591 1.00 0.00 O ATOM 35 OP2 G A 2 6.218 -4.827 8.436 1.00 0.00 O ATOM 36 O5' G A 2 8.273 -3.581 7.740 1.00 0.00 O ATOM 37 C5' G A 2 9.663 -3.330 7.709 1.00 0.00 C ATOM 38 C4' G A 2 9.925 -1.978 7.042 1.00 0.00 C ATOM 39 O4' G A 2 9.398 -1.946 5.712 1.00 0.00 O ATOM 40 C3' G A 2 9.254 -0.823 7.759 1.00 0.00 C ATOM 41 O3' G A 2 9.940 -0.427 8.933 1.00 0.00 O ATOM 42 C2' G A 2 9.335 0.219 6.670 1.00 0.00 C ATOM 43 O2' G A 2 10.665 0.671 6.529 1.00 0.00 O ATOM 44 C1' G A 2 8.961 -0.604 5.443 1.00 0.00 C ATOM 45 N9 G A 2 7.490 -0.571 5.272 1.00 0.00 N ATOM 46 C8 G A 2 6.561 -1.529 5.587 1.00 0.00 C ATOM 47 N7 G A 2 5.332 -1.183 5.329 1.00 0.00 N ATOM 48 C5 G A 2 5.448 0.102 4.811 1.00 0.00 C ATOM 49 C6 G A 2 4.437 1.000 4.359 1.00 0.00 C ATOM 50 O6 G A 2 3.223 0.819 4.316 1.00 0.00 O ATOM 51 N1 G A 2 4.978 2.207 3.931 1.00 0.00 N ATOM 52 C2 G A 2 6.321 2.514 3.928 1.00 0.00 C ATOM 53 N2 G A 2 6.659 3.728 3.481 1.00 0.00 N ATOM 54 N3 G A 2 7.274 1.673 4.347 1.00 0.00 N ATOM 55 C4 G A 2 6.766 0.488 4.776 1.00 0.00 C ATOM 0 H5' G A 2 10.174 -4.122 7.162 1.00 0.00 H new ATOM 0 H5'' G A 2 10.066 -3.332 8.722 1.00 0.00 H new ATOM 0 H4' G A 2 11.009 -1.868 7.065 1.00 0.00 H new ATOM 0 H3' G A 2 8.252 -1.036 8.132 1.00 0.00 H new ATOM 0 H2' G A 2 8.714 1.097 6.847 1.00 0.00 H new ATOM 0 HO2' G A 2 10.708 1.345 5.819 1.00 0.00 H new ATOM 0 H1' G A 2 9.421 -0.218 4.533 1.00 0.00 H new ATOM 0 H8 G A 2 6.825 -2.486 6.012 1.00 0.00 H new ATOM 0 H1 G A 2 4.331 2.920 3.593 1.00 0.00 H new ATOM 0 H21 G A 2 7.640 4.008 3.457 1.00 0.00 H new ATOM 0 H22 G A 2 5.936 4.374 3.164 1.00 0.00 H new ATOM 67 P A A 3 9.222 0.516 10.041 1.00 0.00 P ATOM 68 OP1 A A 3 10.199 0.779 11.120 1.00 0.00 O ATOM 69 OP2 A A 3 7.912 -0.088 10.370 1.00 0.00 O ATOM 70 O5' A A 3 8.947 1.905 9.265 1.00 0.00 O ATOM 71 C5' A A 3 10.012 2.765 8.923 1.00 0.00 C ATOM 72 C4' A A 3 9.474 3.980 8.162 1.00 0.00 C ATOM 73 O4' A A 3 8.737 3.582 7.003 1.00 0.00 O ATOM 74 C3' A A 3 8.510 4.828 8.967 1.00 0.00 C ATOM 75 O3' A A 3 9.173 5.689 9.871 1.00 0.00 O ATOM 76 C2' A A 3 7.823 5.600 7.875 1.00 0.00 C ATOM 77 O2' A A 3 8.674 6.625 7.405 1.00 0.00 O ATOM 78 C1' A A 3 7.678 4.534 6.795 1.00 0.00 C ATOM 79 N9 A A 3 6.361 3.866 6.923 1.00 0.00 N ATOM 80 C8 A A 3 6.071 2.587 7.331 1.00 0.00 C ATOM 81 N7 A A 3 4.803 2.288 7.280 1.00 0.00 N ATOM 82 C5 A A 3 4.205 3.456 6.823 1.00 0.00 C ATOM 83 C6 A A 3 2.866 3.800 6.560 1.00 0.00 C ATOM 84 N6 A A 3 1.846 2.948 6.714 1.00 0.00 N ATOM 85 N1 A A 3 2.615 5.055 6.145 1.00 0.00 N ATOM 86 C2 A A 3 3.630 5.901 5.993 1.00 0.00 C ATOM 87 N3 A A 3 4.926 5.695 6.192 1.00 0.00 N ATOM 88 C4 A A 3 5.145 4.428 6.616 1.00 0.00 C ATOM 0 H5' A A 3 10.739 2.233 8.309 1.00 0.00 H new ATOM 0 H5'' A A 3 10.533 3.090 9.824 1.00 0.00 H new ATOM 0 H4' A A 3 10.369 4.553 7.919 1.00 0.00 H new ATOM 0 H3' A A 3 7.842 4.248 9.604 1.00 0.00 H new ATOM 0 H2' A A 3 6.889 6.072 8.180 1.00 0.00 H new ATOM 0 HO2' A A 3 9.256 6.926 8.133 1.00 0.00 H new ATOM 0 H1' A A 3 7.739 4.972 5.799 1.00 0.00 H new ATOM 0 H8 A A 3 6.826 1.891 7.664 1.00 0.00 H new ATOM 0 H61 A A 3 0.894 3.250 6.509 1.00 0.00 H new ATOM 0 H62 A A 3 2.021 1.996 7.037 1.00 0.00 H new ATOM 0 H2 A A 3 3.362 6.893 5.662 1.00 0.00 H new ATOM 100 P U A 4 8.786 5.697 11.428 1.00 0.00 P ATOM 101 OP1 U A 4 9.756 6.549 12.151 1.00 0.00 O ATOM 102 OP2 U A 4 8.550 4.303 11.864 1.00 0.00 O ATOM 103 O5' U A 4 7.374 6.466 11.373 1.00 0.00 O ATOM 104 C5' U A 4 7.323 7.840 11.043 1.00 0.00 C ATOM 105 C4' U A 4 5.879 8.263 10.776 1.00 0.00 C ATOM 106 O4' U A 4 5.344 7.571 9.651 1.00 0.00 O ATOM 107 C3' U A 4 4.947 7.944 11.927 1.00 0.00 C ATOM 108 O3' U A 4 5.058 8.887 12.977 1.00 0.00 O ATOM 109 C2' U A 4 3.612 8.022 11.221 1.00 0.00 C ATOM 110 O2' U A 4 3.249 9.374 11.034 1.00 0.00 O ATOM 111 C1' U A 4 3.933 7.414 9.854 1.00 0.00 C ATOM 112 N1 U A 4 3.565 5.977 9.834 1.00 0.00 N ATOM 113 C2 U A 4 2.232 5.673 9.614 1.00 0.00 C ATOM 114 O2 U A 4 1.388 6.550 9.438 1.00 0.00 O ATOM 115 N3 U A 4 1.899 4.328 9.601 1.00 0.00 N ATOM 116 C4 U A 4 2.777 3.273 9.796 1.00 0.00 C ATOM 117 O4 U A 4 2.374 2.113 9.777 1.00 0.00 O ATOM 118 C5 U A 4 4.152 3.680 10.003 1.00 0.00 C ATOM 119 C6 U A 4 4.500 4.988 10.013 1.00 0.00 C ATOM 0 H5' U A 4 7.935 8.033 10.162 1.00 0.00 H new ATOM 0 H5'' U A 4 7.739 8.433 11.857 1.00 0.00 H new ATOM 0 H4' U A 4 5.930 9.340 10.616 1.00 0.00 H new ATOM 0 H3' U A 4 5.141 6.993 12.424 1.00 0.00 H new ATOM 0 H2' U A 4 2.803 7.530 11.762 1.00 0.00 H new ATOM 0 HO2' U A 4 3.945 9.954 11.407 1.00 0.00 H new ATOM 0 H1' U A 4 3.369 7.909 9.063 1.00 0.00 H new ATOM 0 H3 U A 4 0.921 4.093 9.433 1.00 0.00 H new ATOM 0 H5 U A 4 4.912 2.927 10.152 1.00 0.00 H new ATOM 0 H6 U A 4 5.534 5.259 10.165 1.00 0.00 H new ATOM 130 P G A 5 4.313 8.645 14.387 1.00 0.00 P ATOM 131 OP1 G A 5 4.706 9.734 15.309 1.00 0.00 O ATOM 132 OP2 G A 5 4.530 7.235 14.782 1.00 0.00 O ATOM 133 O5' G A 5 2.754 8.830 14.031 1.00 0.00 O ATOM 134 C5' G A 5 2.199 10.116 13.833 1.00 0.00 C ATOM 135 C4' G A 5 0.708 9.976 13.519 1.00 0.00 C ATOM 136 O4' G A 5 0.498 9.203 12.344 1.00 0.00 O ATOM 137 C3' G A 5 -0.027 9.224 14.608 1.00 0.00 C ATOM 138 O3' G A 5 -0.302 10.036 15.740 1.00 0.00 O ATOM 139 C2' G A 5 -1.285 8.835 13.873 1.00 0.00 C ATOM 140 O2' G A 5 -2.206 9.905 13.894 1.00 0.00 O ATOM 141 C1' G A 5 -0.807 8.622 12.442 1.00 0.00 C ATOM 142 N9 G A 5 -0.764 7.177 12.157 1.00 0.00 N ATOM 143 C8 G A 5 0.296 6.318 12.223 1.00 0.00 C ATOM 144 N7 G A 5 -0.003 5.080 11.938 1.00 0.00 N ATOM 145 C5 G A 5 -1.369 5.121 11.669 1.00 0.00 C ATOM 146 C6 G A 5 -2.271 4.074 11.305 1.00 0.00 C ATOM 147 O6 G A 5 -2.035 2.880 11.126 1.00 0.00 O ATOM 148 N1 G A 5 -3.563 4.549 11.152 1.00 0.00 N ATOM 149 C2 G A 5 -3.955 5.858 11.313 1.00 0.00 C ATOM 150 N2 G A 5 -5.250 6.122 11.115 1.00 0.00 N ATOM 151 N3 G A 5 -3.117 6.843 11.647 1.00 0.00 N ATOM 152 C4 G A 5 -1.843 6.403 11.810 1.00 0.00 C ATOM 0 H5' G A 5 2.709 10.624 13.015 1.00 0.00 H new ATOM 0 H5'' G A 5 2.340 10.727 14.724 1.00 0.00 H new ATOM 0 H4' G A 5 0.341 10.997 13.413 1.00 0.00 H new ATOM 0 H3' G A 5 0.532 8.389 15.030 1.00 0.00 H new ATOM 0 H2' G A 5 -1.777 7.965 14.307 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.860 10.623 14.463 1.00 0.00 H new ATOM 0 H1' G A 5 -1.477 9.087 11.718 1.00 0.00 H new ATOM 0 H8 G A 5 1.294 6.635 12.488 1.00 0.00 H new ATOM 0 H1 G A 5 -4.283 3.873 10.899 1.00 0.00 H new ATOM 0 H21 G A 5 -5.598 7.075 11.220 1.00 0.00 H new ATOM 0 H22 G A 5 -5.890 5.371 10.859 1.00 0.00 H new ATOM 164 P U A 6 -0.805 9.381 17.133 1.00 0.00 P ATOM 165 OP1 U A 6 -0.921 10.466 18.132 1.00 0.00 O ATOM 166 OP2 U A 6 0.057 8.213 17.418 1.00 0.00 O ATOM 167 O5' U A 6 -2.294 8.833 16.817 1.00 0.00 O ATOM 168 C5' U A 6 -3.415 9.696 16.832 1.00 0.00 C ATOM 169 C4' U A 6 -4.702 8.887 16.591 1.00 0.00 C ATOM 170 O4' U A 6 -4.721 8.283 15.290 1.00 0.00 O ATOM 171 C3' U A 6 -4.865 7.731 17.566 1.00 0.00 C ATOM 172 O3' U A 6 -5.334 8.123 18.840 1.00 0.00 O ATOM 173 C2' U A 6 -5.901 6.928 16.828 1.00 0.00 C ATOM 174 O2' U A 6 -7.154 7.575 16.915 1.00 0.00 O ATOM 175 C1' U A 6 -5.413 7.022 15.396 1.00 0.00 C ATOM 176 N1 U A 6 -4.488 5.903 15.086 1.00 0.00 N ATOM 177 C2 U A 6 -5.032 4.748 14.542 1.00 0.00 C ATOM 178 O2 U A 6 -6.241 4.611 14.365 1.00 0.00 O ATOM 179 N3 U A 6 -4.134 3.750 14.205 1.00 0.00 N ATOM 180 C4 U A 6 -2.759 3.803 14.362 1.00 0.00 C ATOM 181 O4 U A 6 -2.057 2.847 14.045 1.00 0.00 O ATOM 182 C5 U A 6 -2.279 5.048 14.917 1.00 0.00 C ATOM 183 C6 U A 6 -3.139 6.032 15.262 1.00 0.00 C ATOM 0 H5' U A 6 -3.306 10.461 16.063 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.474 10.213 17.790 1.00 0.00 H new ATOM 0 H4' U A 6 -5.501 9.618 16.713 1.00 0.00 H new ATOM 0 H3' U A 6 -3.933 7.217 17.801 1.00 0.00 H new ATOM 0 H2' U A 6 -6.020 5.913 17.206 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.136 8.225 17.649 1.00 0.00 H new ATOM 0 H1' U A 6 -6.243 6.960 14.692 1.00 0.00 H new ATOM 0 H3 U A 6 -4.521 2.896 13.804 1.00 0.00 H new ATOM 0 H5 U A 6 -1.218 5.194 15.058 1.00 0.00 H new ATOM 0 H6 U A 6 -2.750 6.945 15.688 1.00 0.00 H new ATOM 194 P C A 7 -5.285 7.091 20.087 1.00 0.00 P ATOM 195 OP1 C A 7 -5.960 7.729 21.239 1.00 0.00 O ATOM 196 OP2 C A 7 -3.890 6.618 20.226 1.00 0.00 O ATOM 197 O5' C A 7 -6.188 5.836 19.606 1.00 0.00 O ATOM 198 C5' C A 7 -7.600 5.909 19.604 1.00 0.00 C ATOM 199 C4' C A 7 -8.197 4.570 19.145 1.00 0.00 C ATOM 200 O4' C A 7 -7.778 4.214 17.822 1.00 0.00 O ATOM 201 C3' C A 7 -7.755 3.412 20.014 1.00 0.00 C ATOM 202 O3' C A 7 -8.429 3.378 21.260 1.00 0.00 O ATOM 203 C2' C A 7 -8.156 2.261 19.124 1.00 0.00 C ATOM 204 O2' C A 7 -9.558 2.109 19.165 1.00 0.00 O ATOM 205 C1' C A 7 -7.770 2.772 17.736 1.00 0.00 C ATOM 206 N1 C A 7 -6.422 2.264 17.357 1.00 0.00 N ATOM 207 C2 C A 7 -6.324 0.923 16.996 1.00 0.00 C ATOM 208 O2 C A 7 -7.324 0.208 16.990 1.00 0.00 O ATOM 209 N3 C A 7 -5.100 0.432 16.654 1.00 0.00 N ATOM 210 C4 C A 7 -4.016 1.219 16.668 1.00 0.00 C ATOM 211 N4 C A 7 -2.835 0.698 16.322 1.00 0.00 N ATOM 212 C5 C A 7 -4.101 2.600 17.031 1.00 0.00 C ATOM 213 C6 C A 7 -5.320 3.077 17.359 1.00 0.00 C ATOM 0 H5' C A 7 -7.930 6.709 18.941 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.961 6.154 20.603 1.00 0.00 H new ATOM 0 H4' C A 7 -9.274 4.727 19.201 1.00 0.00 H new ATOM 0 H3' C A 7 -6.704 3.434 20.303 1.00 0.00 H new ATOM 0 H2' C A 7 -7.699 1.311 19.402 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.915 2.578 19.948 1.00 0.00 H new ATOM 0 H1' C A 7 -8.464 2.425 16.971 1.00 0.00 H new ATOM 0 H41 C A 7 -1.999 1.282 16.327 1.00 0.00 H new ATOM 0 H42 C A 7 -2.770 -0.284 16.053 1.00 0.00 H new ATOM 0 H5 C A 7 -3.227 3.234 17.042 1.00 0.00 H new ATOM 0 H6 C A 7 -5.428 4.117 17.628 1.00 0.00 H new ATOM 225 P C A 8 -7.875 2.468 22.476 1.00 0.00 P ATOM 226 OP1 C A 8 -8.781 2.644 23.632 1.00 0.00 O ATOM 227 OP2 C A 8 -6.430 2.747 22.629 1.00 0.00 O ATOM 228 O5' C A 8 -8.033 0.953 21.944 1.00 0.00 O ATOM 229 C5' C A 8 -9.277 0.283 21.998 1.00 0.00 C ATOM 230 C4' C A 8 -9.096 -1.153 21.499 1.00 0.00 C ATOM 231 O4' C A 8 -8.613 -1.185 20.160 1.00 0.00 O ATOM 232 C3' C A 8 -8.060 -1.905 22.306 1.00 0.00 C ATOM 233 O3' C A 8 -8.568 -2.367 23.538 1.00 0.00 O ATOM 234 C2' C A 8 -7.758 -3.050 21.375 1.00 0.00 C ATOM 235 O2' C A 8 -8.760 -4.039 21.502 1.00 0.00 O ATOM 236 C1' C A 8 -7.860 -2.398 19.995 1.00 0.00 C ATOM 237 N1 C A 8 -6.488 -2.099 19.526 1.00 0.00 N ATOM 238 C2 C A 8 -5.773 -3.136 18.935 1.00 0.00 C ATOM 239 O2 C A 8 -6.311 -4.222 18.728 1.00 0.00 O ATOM 240 N3 C A 8 -4.471 -2.915 18.603 1.00 0.00 N ATOM 241 C4 C A 8 -3.890 -1.734 18.854 1.00 0.00 C ATOM 242 N4 C A 8 -2.610 -1.557 18.511 1.00 0.00 N ATOM 243 C5 C A 8 -4.610 -0.668 19.484 1.00 0.00 C ATOM 244 C6 C A 8 -5.900 -0.896 19.794 1.00 0.00 C ATOM 0 H5' C A 8 -10.012 0.804 21.384 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.659 0.281 23.019 1.00 0.00 H new ATOM 0 H4' C A 8 -10.082 -1.609 21.587 1.00 0.00 H new ATOM 0 H3' C A 8 -7.198 -1.302 22.590 1.00 0.00 H new ATOM 0 H2' C A 8 -6.798 -3.529 21.566 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.235 -3.916 22.350 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.864 -2.847 24.022 1.00 0.00 H new ATOM 0 H1' C A 8 -8.349 -3.044 19.266 1.00 0.00 H new ATOM 0 H41 C A 8 -2.152 -0.664 18.694 1.00 0.00 H new ATOM 0 H42 C A 8 -2.092 -2.315 18.066 1.00 0.00 H new ATOM 0 H5 C A 8 -4.138 0.279 19.701 1.00 0.00 H new ATOM 0 H6 C A 8 -6.480 -0.114 20.263 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.365 -9.361 13.905 1.00 0.00 O ATOM 259 C5' G B 9 1.813 -10.654 13.785 1.00 0.00 C ATOM 260 C4' G B 9 0.361 -10.650 14.271 1.00 0.00 C ATOM 261 O4' G B 9 0.275 -10.296 15.651 1.00 0.00 O ATOM 262 C3' G B 9 -0.496 -9.635 13.541 1.00 0.00 C ATOM 263 O3' G B 9 -0.885 -10.080 12.254 1.00 0.00 O ATOM 264 C2' G B 9 -1.662 -9.542 14.496 1.00 0.00 C ATOM 265 O2' G B 9 -2.478 -10.690 14.382 1.00 0.00 O ATOM 266 C1' G B 9 -0.951 -9.572 15.848 1.00 0.00 C ATOM 267 N9 G B 9 -0.649 -8.187 16.273 1.00 0.00 N ATOM 268 C8 G B 9 0.553 -7.526 16.270 1.00 0.00 C ATOM 269 N7 G B 9 0.482 -6.295 16.694 1.00 0.00 N ATOM 270 C5 G B 9 -0.864 -6.124 17.002 1.00 0.00 C ATOM 271 C6 G B 9 -1.548 -4.980 17.508 1.00 0.00 C ATOM 272 O6 G B 9 -1.086 -3.875 17.783 1.00 0.00 O ATOM 273 N1 G B 9 -2.905 -5.230 17.683 1.00 0.00 N ATOM 274 C2 G B 9 -3.530 -6.427 17.405 1.00 0.00 C ATOM 275 N2 G B 9 -4.847 -6.484 17.631 1.00 0.00 N ATOM 276 N3 G B 9 -2.892 -7.502 16.929 1.00 0.00 N ATOM 277 C4 G B 9 -1.564 -7.279 16.751 1.00 0.00 C ATOM 0 H5' G B 9 2.399 -11.364 14.369 1.00 0.00 H new ATOM 0 H5'' G B 9 1.857 -10.982 12.747 1.00 0.00 H new ATOM 0 H4' G B 9 0.004 -11.663 14.085 1.00 0.00 H new ATOM 0 H3' G B 9 -0.001 -8.687 13.330 1.00 0.00 H new ATOM 0 H2' G B 9 -2.302 -8.676 14.329 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.230 -10.620 15.006 1.00 0.00 H new ATOM 0 HO5' G B 9 3.294 -9.372 13.594 1.00 0.00 H new ATOM 0 H1' G B 9 -1.568 -10.043 16.614 1.00 0.00 H new ATOM 0 H8 G B 9 1.476 -7.984 15.945 1.00 0.00 H new ATOM 0 H1 G B 9 -3.481 -4.470 18.044 1.00 0.00 H new ATOM 0 H21 G B 9 -5.360 -7.345 17.443 1.00 0.00 H new ATOM 0 H22 G B 9 -5.338 -5.666 17.992 1.00 0.00 H new ATOM 290 P G B 10 -1.499 -9.047 11.169 1.00 0.00 P ATOM 291 OP1 G B 10 -1.781 -9.801 9.928 1.00 0.00 O ATOM 292 OP2 G B 10 -0.614 -7.862 11.121 1.00 0.00 O ATOM 293 O5' G B 10 -2.906 -8.594 11.810 1.00 0.00 O ATOM 294 C5' G B 10 -4.011 -9.471 11.828 1.00 0.00 C ATOM 295 C4' G B 10 -5.203 -8.787 12.502 1.00 0.00 C ATOM 296 O4' G B 10 -4.885 -8.393 13.840 1.00 0.00 O ATOM 297 C3' G B 10 -5.626 -7.509 11.803 1.00 0.00 C ATOM 298 O3' G B 10 -6.388 -7.747 10.633 1.00 0.00 O ATOM 299 C2' G B 10 -6.450 -6.879 12.902 1.00 0.00 C ATOM 300 O2' G B 10 -7.683 -7.555 13.041 1.00 0.00 O ATOM 301 C1' G B 10 -5.586 -7.169 14.123 1.00 0.00 C ATOM 302 N9 G B 10 -4.620 -6.060 14.304 1.00 0.00 N ATOM 303 C8 G B 10 -3.284 -6.018 13.997 1.00 0.00 C ATOM 304 N7 G B 10 -2.713 -4.878 14.265 1.00 0.00 N ATOM 305 C5 G B 10 -3.743 -4.100 14.781 1.00 0.00 C ATOM 306 C6 G B 10 -3.727 -2.752 15.243 1.00 0.00 C ATOM 307 O6 G B 10 -2.776 -1.977 15.295 1.00 0.00 O ATOM 308 N1 G B 10 -4.985 -2.340 15.667 1.00 0.00 N ATOM 309 C2 G B 10 -6.118 -3.126 15.659 1.00 0.00 C ATOM 310 N2 G B 10 -7.245 -2.560 16.104 1.00 0.00 N ATOM 311 N3 G B 10 -6.136 -4.394 15.233 1.00 0.00 N ATOM 312 C4 G B 10 -4.917 -4.814 14.807 1.00 0.00 C ATOM 0 H5' G B 10 -3.753 -10.385 12.364 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.274 -9.761 10.811 1.00 0.00 H new ATOM 0 H4' G B 10 -6.001 -9.529 12.464 1.00 0.00 H new ATOM 0 H3' G B 10 -4.801 -6.900 11.432 1.00 0.00 H new ATOM 0 H2' G B 10 -6.682 -5.827 12.735 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.206 -7.138 13.757 1.00 0.00 H new ATOM 0 H1' G B 10 -6.180 -7.260 15.032 1.00 0.00 H new ATOM 0 H8 G B 10 -2.752 -6.856 13.571 1.00 0.00 H new ATOM 0 H1 G B 10 -5.077 -1.384 16.010 1.00 0.00 H new ATOM 0 H21 G B 10 -8.113 -3.096 16.120 1.00 0.00 H new ATOM 0 H22 G B 10 -7.237 -1.593 16.427 1.00 0.00 H new ATOM 324 P A B 11 -6.609 -6.578 9.529 1.00 0.00 P ATOM 325 OP1 A B 11 -7.469 -7.122 8.455 1.00 0.00 O ATOM 326 OP2 A B 11 -5.282 -6.017 9.192 1.00 0.00 O ATOM 327 O5' A B 11 -7.445 -5.441 10.313 1.00 0.00 O ATOM 328 C5' A B 11 -8.797 -5.647 10.660 1.00 0.00 C ATOM 329 C4' A B 11 -9.328 -4.432 11.426 1.00 0.00 C ATOM 330 O4' A B 11 -8.535 -4.161 12.584 1.00 0.00 O ATOM 331 C3' A B 11 -9.305 -3.146 10.625 1.00 0.00 C ATOM 332 O3' A B 11 -10.392 -3.049 9.726 1.00 0.00 O ATOM 333 C2' A B 11 -9.411 -2.124 11.720 1.00 0.00 C ATOM 334 O2' A B 11 -10.744 -2.064 12.184 1.00 0.00 O ATOM 335 C1' A B 11 -8.529 -2.738 12.800 1.00 0.00 C ATOM 336 N9 A B 11 -7.148 -2.213 12.679 1.00 0.00 N ATOM 337 C8 A B 11 -6.005 -2.859 12.276 1.00 0.00 C ATOM 338 N7 A B 11 -4.931 -2.123 12.333 1.00 0.00 N ATOM 339 C5 A B 11 -5.394 -0.895 12.791 1.00 0.00 C ATOM 340 C6 A B 11 -4.748 0.325 13.060 1.00 0.00 C ATOM 341 N6 A B 11 -3.430 0.506 12.912 1.00 0.00 N ATOM 342 N1 A B 11 -5.509 1.355 13.473 1.00 0.00 N ATOM 343 C2 A B 11 -6.818 1.174 13.619 1.00 0.00 C ATOM 344 N3 A B 11 -7.537 0.078 13.414 1.00 0.00 N ATOM 345 C4 A B 11 -6.746 -0.936 12.992 1.00 0.00 C ATOM 0 H5' A B 11 -8.892 -6.544 11.272 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.392 -5.810 9.761 1.00 0.00 H new ATOM 0 H4' A B 11 -10.354 -4.706 11.671 1.00 0.00 H new ATOM 0 H3' A B 11 -8.428 -3.044 9.986 1.00 0.00 H new ATOM 0 H2' A B 11 -9.126 -1.115 11.421 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.350 -2.380 11.481 1.00 0.00 H new ATOM 0 H1' A B 11 -8.898 -2.493 13.796 1.00 0.00 H new ATOM 0 H8 A B 11 -5.997 -3.886 11.942 1.00 0.00 H new ATOM 0 H61 A B 11 -3.013 1.413 13.122 1.00 0.00 H new ATOM 0 H62 A B 11 -2.843 -0.263 12.590 1.00 0.00 H new ATOM 0 H2 A B 11 -7.373 2.039 13.950 1.00 0.00 H new ATOM 357 P U B 12 -10.143 -2.757 8.168 1.00 0.00 P ATOM 358 OP1 U B 12 -11.429 -2.895 7.451 1.00 0.00 O ATOM 359 OP2 U B 12 -8.959 -3.527 7.726 1.00 0.00 O ATOM 360 O5' U B 12 -9.754 -1.198 8.224 1.00 0.00 O ATOM 361 C5' U B 12 -10.732 -0.231 8.551 1.00 0.00 C ATOM 362 C4' U B 12 -10.066 1.118 8.822 1.00 0.00 C ATOM 363 O4' U B 12 -9.198 1.040 9.951 1.00 0.00 O ATOM 364 C3' U B 12 -9.195 1.589 7.679 1.00 0.00 C ATOM 365 O3' U B 12 -9.955 2.132 6.616 1.00 0.00 O ATOM 366 C2' U B 12 -8.370 2.634 8.391 1.00 0.00 C ATOM 367 O2' U B 12 -9.141 3.802 8.575 1.00 0.00 O ATOM 368 C1' U B 12 -8.138 1.987 9.758 1.00 0.00 C ATOM 369 N1 U B 12 -6.823 1.301 9.784 1.00 0.00 N ATOM 370 C2 U B 12 -5.707 2.091 10.007 1.00 0.00 C ATOM 371 O2 U B 12 -5.796 3.304 10.184 1.00 0.00 O ATOM 372 N3 U B 12 -4.482 1.440 10.025 1.00 0.00 N ATOM 373 C4 U B 12 -4.284 0.081 9.831 1.00 0.00 C ATOM 374 O4 U B 12 -3.152 -0.394 9.854 1.00 0.00 O ATOM 375 C5 U B 12 -5.505 -0.670 9.619 1.00 0.00 C ATOM 376 C6 U B 12 -6.711 -0.055 9.605 1.00 0.00 C ATOM 0 H5' U B 12 -11.292 -0.552 9.429 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.447 -0.135 7.734 1.00 0.00 H new ATOM 0 H4' U B 12 -10.894 1.810 8.978 1.00 0.00 H new ATOM 0 H3' U B 12 -8.615 0.806 7.191 1.00 0.00 H new ATOM 0 H2' U B 12 -7.461 2.912 7.858 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.564 4.529 8.890 1.00 0.00 H new ATOM 0 H1' U B 12 -8.134 2.735 10.551 1.00 0.00 H new ATOM 0 H3 U B 12 -3.654 2.011 10.196 1.00 0.00 H new ATOM 0 H5 U B 12 -5.452 -1.738 9.470 1.00 0.00 H new ATOM 0 H6 U B 12 -7.603 -0.644 9.450 1.00 0.00 H new ATOM 387 P G B 13 -9.254 2.540 5.221 1.00 0.00 P ATOM 388 OP1 G B 13 -10.314 2.945 4.272 1.00 0.00 O ATOM 389 OP2 G B 13 -8.311 1.461 4.852 1.00 0.00 O ATOM 390 O5' G B 13 -8.394 3.848 5.601 1.00 0.00 O ATOM 391 C5' G B 13 -9.024 5.098 5.803 1.00 0.00 C ATOM 392 C4' G B 13 -7.965 6.143 6.160 1.00 0.00 C ATOM 393 O4' G B 13 -7.257 5.779 7.340 1.00 0.00 O ATOM 394 C3' G B 13 -6.900 6.255 5.089 1.00 0.00 C ATOM 395 O3' G B 13 -7.328 7.026 3.978 1.00 0.00 O ATOM 396 C2' G B 13 -5.801 6.941 5.862 1.00 0.00 C ATOM 397 O2' G B 13 -6.024 8.336 5.880 1.00 0.00 O ATOM 398 C1' G B 13 -5.964 6.392 7.274 1.00 0.00 C ATOM 399 N9 G B 13 -4.900 5.405 7.534 1.00 0.00 N ATOM 400 C8 G B 13 -4.942 4.045 7.416 1.00 0.00 C ATOM 401 N7 G B 13 -3.811 3.451 7.688 1.00 0.00 N ATOM 402 C5 G B 13 -2.952 4.500 8.003 1.00 0.00 C ATOM 403 C6 G B 13 -1.573 4.483 8.374 1.00 0.00 C ATOM 404 O6 G B 13 -0.825 3.517 8.519 1.00 0.00 O ATOM 405 N1 G B 13 -1.088 5.764 8.579 1.00 0.00 N ATOM 406 C2 G B 13 -1.820 6.922 8.457 1.00 0.00 C ATOM 407 N2 G B 13 -1.173 8.066 8.702 1.00 0.00 N ATOM 408 N3 G B 13 -3.111 6.946 8.116 1.00 0.00 N ATOM 409 C4 G B 13 -3.611 5.702 7.903 1.00 0.00 C ATOM 0 H5' G B 13 -9.761 5.022 6.602 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.560 5.399 4.903 1.00 0.00 H new ATOM 0 H4' G B 13 -8.514 7.077 6.280 1.00 0.00 H new ATOM 0 H3' G B 13 -6.615 5.303 4.640 1.00 0.00 H new ATOM 0 H2' G B 13 -4.812 6.769 5.437 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.769 8.556 5.282 1.00 0.00 H new ATOM 0 H1' G B 13 -5.885 7.178 8.025 1.00 0.00 H new ATOM 0 H8 G B 13 -5.832 3.508 7.123 1.00 0.00 H new ATOM 0 H1 G B 13 -0.107 5.856 8.842 1.00 0.00 H new ATOM 0 H21 G B 13 -1.665 8.956 8.627 1.00 0.00 H new ATOM 0 H22 G B 13 -0.187 8.048 8.964 1.00 0.00 H new ATOM 421 P U B 14 -6.506 7.004 2.582 1.00 0.00 P ATOM 422 OP1 U B 14 -7.239 7.843 1.608 1.00 0.00 O ATOM 423 OP2 U B 14 -6.214 5.591 2.255 1.00 0.00 O ATOM 424 O5' U B 14 -5.104 7.737 2.915 1.00 0.00 O ATOM 425 C5' U B 14 -4.998 9.147 2.939 1.00 0.00 C ATOM 426 C4' U B 14 -3.535 9.562 3.177 1.00 0.00 C ATOM 427 O4' U B 14 -3.064 9.152 4.469 1.00 0.00 O ATOM 428 C3' U B 14 -2.571 8.930 2.184 1.00 0.00 C ATOM 429 O3' U B 14 -2.551 9.573 0.926 1.00 0.00 O ATOM 430 C2' U B 14 -1.273 9.134 2.920 1.00 0.00 C ATOM 431 O2' U B 14 -0.890 10.493 2.853 1.00 0.00 O ATOM 432 C1' U B 14 -1.665 8.815 4.349 1.00 0.00 C ATOM 433 N1 U B 14 -1.460 7.373 4.637 1.00 0.00 N ATOM 434 C2 U B 14 -0.236 6.989 5.168 1.00 0.00 C ATOM 435 O2 U B 14 0.680 7.787 5.351 1.00 0.00 O ATOM 436 N3 U B 14 -0.100 5.648 5.482 1.00 0.00 N ATOM 437 C4 U B 14 -1.066 4.669 5.316 1.00 0.00 C ATOM 438 O4 U B 14 -0.830 3.501 5.611 1.00 0.00 O ATOM 439 C5 U B 14 -2.315 5.161 4.779 1.00 0.00 C ATOM 440 C6 U B 14 -2.466 6.465 4.456 1.00 0.00 C ATOM 0 H5' U B 14 -5.633 9.554 3.726 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.354 9.563 1.996 1.00 0.00 H new ATOM 0 H4' U B 14 -3.548 10.647 3.073 1.00 0.00 H new ATOM 0 H3' U B 14 -2.819 7.900 1.927 1.00 0.00 H new ATOM 0 H2' U B 14 -0.450 8.538 2.526 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.395 10.940 2.142 1.00 0.00 H new ATOM 0 H1' U B 14 -1.056 9.376 5.058 1.00 0.00 H new ATOM 0 H3 U B 14 0.795 5.353 5.872 1.00 0.00 H new ATOM 0 H5 U B 14 -3.139 4.477 4.634 1.00 0.00 H new ATOM 0 H6 U B 14 -3.407 6.799 4.044 1.00 0.00 H new ATOM 451 P C B 15 -1.834 8.869 -0.344 1.00 0.00 P ATOM 452 OP1 C B 15 -1.856 9.827 -1.472 1.00 0.00 O ATOM 453 OP2 C B 15 -2.433 7.527 -0.512 1.00 0.00 O ATOM 454 O5' C B 15 -0.295 8.671 0.119 1.00 0.00 O ATOM 455 C5' C B 15 0.609 9.758 0.134 1.00 0.00 C ATOM 456 C4' C B 15 2.003 9.279 0.566 1.00 0.00 C ATOM 457 O4' C B 15 1.999 8.705 1.879 1.00 0.00 O ATOM 458 C3' C B 15 2.543 8.185 -0.329 1.00 0.00 C ATOM 459 O3' C B 15 3.007 8.678 -1.574 1.00 0.00 O ATOM 460 C2' C B 15 3.674 7.684 0.536 1.00 0.00 C ATOM 461 O2' C B 15 4.737 8.612 0.494 1.00 0.00 O ATOM 462 C1' C B 15 3.058 7.725 1.935 1.00 0.00 C ATOM 463 N1 C B 15 2.528 6.383 2.305 1.00 0.00 N ATOM 464 C2 C B 15 3.456 5.401 2.639 1.00 0.00 C ATOM 465 O2 C B 15 4.659 5.655 2.629 1.00 0.00 O ATOM 466 N3 C B 15 2.997 4.163 2.974 1.00 0.00 N ATOM 467 C4 C B 15 1.684 3.895 2.978 1.00 0.00 C ATOM 468 N4 C B 15 1.275 2.668 3.316 1.00 0.00 N ATOM 469 C5 C B 15 0.717 4.895 2.642 1.00 0.00 C ATOM 470 C6 C B 15 1.184 6.120 2.321 1.00 0.00 C ATOM 0 H5' C B 15 0.252 10.528 0.818 1.00 0.00 H new ATOM 0 H5'' C B 15 0.662 10.211 -0.856 1.00 0.00 H new ATOM 0 H4' C B 15 2.616 10.179 0.518 1.00 0.00 H new ATOM 0 H3' C B 15 1.810 7.433 -0.620 1.00 0.00 H new ATOM 0 H2' C B 15 4.057 6.709 0.236 1.00 0.00 H new ATOM 0 HO2' C B 15 4.632 9.195 -0.287 1.00 0.00 H new ATOM 0 H1' C B 15 3.795 7.992 2.692 1.00 0.00 H new ATOM 0 H41 C B 15 0.279 2.447 3.324 1.00 0.00 H new ATOM 0 H42 C B 15 1.959 1.953 3.565 1.00 0.00 H new ATOM 0 H5 C B 15 -0.341 4.679 2.645 1.00 0.00 H new ATOM 0 H6 C B 15 0.486 6.906 2.073 1.00 0.00 H new ATOM 482 P C B 16 3.288 7.673 -2.809 1.00 0.00 P ATOM 483 OP1 C B 16 3.752 8.479 -3.961 1.00 0.00 O ATOM 484 OP2 C B 16 2.107 6.795 -2.958 1.00 0.00 O ATOM 485 O5' C B 16 4.522 6.763 -2.309 1.00 0.00 O ATOM 486 C5' C B 16 5.854 7.232 -2.378 1.00 0.00 C ATOM 487 C4' C B 16 6.801 6.123 -1.913 1.00 0.00 C ATOM 488 O4' C B 16 6.532 5.731 -0.571 1.00 0.00 O ATOM 489 C3' C B 16 6.636 4.859 -2.728 1.00 0.00 C ATOM 490 O3' C B 16 7.268 4.941 -3.988 1.00 0.00 O ATOM 491 C2' C B 16 7.310 3.856 -1.824 1.00 0.00 C ATOM 492 O2' C B 16 8.712 3.937 -1.977 1.00 0.00 O ATOM 493 C1' C B 16 6.924 4.356 -0.430 1.00 0.00 C ATOM 494 N1 C B 16 5.789 3.538 0.054 1.00 0.00 N ATOM 495 C2 C B 16 6.086 2.309 0.636 1.00 0.00 C ATOM 496 O2 C B 16 7.255 1.978 0.824 1.00 0.00 O ATOM 497 N3 C B 16 5.053 1.492 0.981 1.00 0.00 N ATOM 498 C4 C B 16 3.784 1.855 0.752 1.00 0.00 C ATOM 499 N4 C B 16 2.799 1.024 1.107 1.00 0.00 N ATOM 500 C5 C B 16 3.468 3.107 0.132 1.00 0.00 C ATOM 501 C6 C B 16 4.499 3.911 -0.192 1.00 0.00 C ATOM 0 H5' C B 16 5.974 8.116 -1.752 1.00 0.00 H new ATOM 0 H5'' C B 16 6.096 7.529 -3.399 1.00 0.00 H new ATOM 0 H4' C B 16 7.800 6.544 -2.022 1.00 0.00 H new ATOM 0 H3' C B 16 5.602 4.623 -2.981 1.00 0.00 H new ATOM 0 H2' C B 16 7.021 2.824 -2.024 1.00 0.00 H new ATOM 0 HO2' C B 16 8.924 4.307 -2.859 1.00 0.00 H new ATOM 0 HO3' C B 16 7.135 4.101 -4.476 1.00 0.00 H new ATOM 0 H1' C B 16 7.746 4.275 0.282 1.00 0.00 H new ATOM 0 H41 C B 16 1.827 1.284 0.940 1.00 0.00 H new ATOM 0 H42 C B 16 3.019 0.129 1.545 1.00 0.00 H new ATOM 0 H5 C B 16 2.446 3.394 -0.067 1.00 0.00 H new ATOM 0 H6 C B 16 4.302 4.867 -0.654 1.00 0.00 H new TER 514 C B 16