USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 155 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 -17:sc= 0.0277 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00568 USER MOD Single : A 2 G O2' : rot -15:sc= 0.044 USER MOD Single : A 3 C O2' : rot -17:sc= 0.0676 USER MOD Single : A 4 G O2' : rot -20:sc= -0.0197 USER MOD Single : A 5 C O2' : rot 173:sc= -0.182 USER MOD Single : A 6 A O2' : rot 75:sc= -0.641 USER MOD Single : A 7 U O2' : rot 24:sc= 0.0899 USER MOD Single : A 8 C O2' : rot 180:sc= -0.315 USER MOD Single : A 9 G O2' : rot 22:sc= 0.113 USER MOD Single : A 10 G O2' : rot 10:sc= -0.0809 USER MOD Single : A 11 C O2' : rot 180:sc= -0.138 USER MOD Single : A 12 G O2' : rot -18:sc= 0.14 USER MOD Single : A 13 C O2' : rot 180:sc= -0.0723 USER MOD Single : A 14 C O2' : rot -25:sc= 0.12 USER MOD Single : A 14 C O3' : rot 180:sc= 0.121 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.601 -8.106 -9.240 1.00 0.00 O ATOM 2 C5' G A 1 7.695 -8.999 -9.258 1.00 0.00 C ATOM 3 C4' G A 1 8.737 -8.597 -8.212 1.00 0.00 C ATOM 4 O4' G A 1 9.397 -7.385 -8.561 1.00 0.00 O ATOM 5 C3' G A 1 8.166 -8.392 -6.812 1.00 0.00 C ATOM 6 O3' G A 1 7.928 -9.594 -6.109 1.00 0.00 O ATOM 7 C2' G A 1 9.299 -7.582 -6.195 1.00 0.00 C ATOM 8 O2' G A 1 10.403 -8.406 -5.873 1.00 0.00 O ATOM 9 C1' G A 1 9.700 -6.680 -7.364 1.00 0.00 C ATOM 10 N9 G A 1 8.931 -5.418 -7.319 1.00 0.00 N ATOM 11 C8 G A 1 7.736 -5.110 -7.920 1.00 0.00 C ATOM 12 N7 G A 1 7.327 -3.890 -7.699 1.00 0.00 N ATOM 13 C5 G A 1 8.325 -3.350 -6.887 1.00 0.00 C ATOM 14 C6 G A 1 8.445 -2.045 -6.316 1.00 0.00 C ATOM 15 O6 G A 1 7.698 -1.077 -6.442 1.00 0.00 O ATOM 16 N1 G A 1 9.581 -1.927 -5.526 1.00 0.00 N ATOM 17 C2 G A 1 10.496 -2.929 -5.314 1.00 0.00 C ATOM 18 N2 G A 1 11.529 -2.647 -4.520 1.00 0.00 N ATOM 19 N3 G A 1 10.402 -4.147 -5.855 1.00 0.00 N ATOM 20 C4 G A 1 9.298 -4.287 -6.635 1.00 0.00 C ATOM 0 H5' G A 1 8.150 -9.005 -10.248 1.00 0.00 H new ATOM 0 H5'' G A 1 7.347 -10.013 -9.061 1.00 0.00 H new ATOM 0 H4' G A 1 9.427 -9.441 -8.199 1.00 0.00 H new ATOM 0 H3' G A 1 7.183 -7.922 -6.797 1.00 0.00 H new ATOM 0 H2' G A 1 9.008 -7.071 -5.277 1.00 0.00 H new ATOM 0 HO2' G A 1 10.117 -9.343 -5.853 1.00 0.00 H new ATOM 0 HO5' G A 1 5.946 -8.378 -9.916 1.00 0.00 H new ATOM 0 H1' G A 1 10.760 -6.433 -7.314 1.00 0.00 H new ATOM 0 H8 G A 1 7.183 -5.815 -8.523 1.00 0.00 H new ATOM 0 H1 G A 1 9.748 -1.030 -5.070 1.00 0.00 H new ATOM 0 H21 G A 1 12.236 -3.358 -4.331 1.00 0.00 H new ATOM 0 H22 G A 1 11.612 -1.721 -4.101 1.00 0.00 H new ATOM 33 P G A 2 6.930 -9.621 -4.850 1.00 0.00 P ATOM 34 OP1 G A 2 5.698 -8.891 -5.232 1.00 0.00 O ATOM 35 OP2 G A 2 6.830 -11.024 -4.391 1.00 0.00 O ATOM 36 O5' G A 2 7.683 -8.778 -3.710 1.00 0.00 O ATOM 37 C5' G A 2 8.809 -9.294 -3.038 1.00 0.00 C ATOM 38 C4' G A 2 9.265 -8.317 -1.955 1.00 0.00 C ATOM 39 O4' G A 2 9.716 -7.094 -2.512 1.00 0.00 O ATOM 40 C3' G A 2 8.149 -7.942 -0.987 1.00 0.00 C ATOM 41 O3' G A 2 7.877 -8.932 -0.008 1.00 0.00 O ATOM 42 C2' G A 2 8.717 -6.665 -0.388 1.00 0.00 C ATOM 43 O2' G A 2 9.717 -6.960 0.572 1.00 0.00 O ATOM 44 C1' G A 2 9.392 -6.042 -1.607 1.00 0.00 C ATOM 45 N9 G A 2 8.478 -5.077 -2.259 1.00 0.00 N ATOM 46 C8 G A 2 7.481 -5.311 -3.174 1.00 0.00 C ATOM 47 N7 G A 2 6.853 -4.234 -3.557 1.00 0.00 N ATOM 48 C5 G A 2 7.482 -3.208 -2.852 1.00 0.00 C ATOM 49 C6 G A 2 7.238 -1.801 -2.855 1.00 0.00 C ATOM 50 O6 G A 2 6.404 -1.167 -3.498 1.00 0.00 O ATOM 51 N1 G A 2 8.093 -1.125 -1.996 1.00 0.00 N ATOM 52 C2 G A 2 9.063 -1.721 -1.225 1.00 0.00 C ATOM 53 N2 G A 2 9.789 -0.914 -0.456 1.00 0.00 N ATOM 54 N3 G A 2 9.300 -3.036 -1.217 1.00 0.00 N ATOM 55 C4 G A 2 8.475 -3.718 -2.053 1.00 0.00 C ATOM 0 H5' G A 2 9.618 -9.467 -3.747 1.00 0.00 H new ATOM 0 H5'' G A 2 8.566 -10.258 -2.591 1.00 0.00 H new ATOM 0 H4' G A 2 10.064 -8.843 -1.432 1.00 0.00 H new ATOM 0 H3' G A 2 7.176 -7.831 -1.465 1.00 0.00 H new ATOM 0 H2' G A 2 7.969 -6.047 0.109 1.00 0.00 H new ATOM 0 HO2' G A 2 9.663 -7.906 0.821 1.00 0.00 H new ATOM 0 H1' G A 2 10.293 -5.507 -1.307 1.00 0.00 H new ATOM 0 H8 G A 2 7.239 -6.297 -3.543 1.00 0.00 H new ATOM 0 H1 G A 2 7.995 -0.112 -1.932 1.00 0.00 H new ATOM 0 H21 G A 2 10.523 -1.300 0.138 1.00 0.00 H new ATOM 0 H22 G A 2 9.611 0.090 -0.460 1.00 0.00 H new ATOM 67 P C A 3 6.436 -8.986 0.717 1.00 0.00 P ATOM 68 OP1 C A 3 5.394 -8.883 -0.327 1.00 0.00 O ATOM 69 OP2 C A 3 6.434 -10.144 1.634 1.00 0.00 O ATOM 70 O5' C A 3 6.395 -7.642 1.606 1.00 0.00 O ATOM 71 C5' C A 3 7.195 -7.508 2.765 1.00 0.00 C ATOM 72 C4' C A 3 7.023 -6.111 3.360 1.00 0.00 C ATOM 73 O4' C A 3 7.464 -5.099 2.469 1.00 0.00 O ATOM 74 C3' C A 3 5.570 -5.776 3.694 1.00 0.00 C ATOM 75 O3' C A 3 5.110 -6.382 4.884 1.00 0.00 O ATOM 76 C2' C A 3 5.702 -4.269 3.815 1.00 0.00 C ATOM 77 O2' C A 3 6.310 -3.909 5.043 1.00 0.00 O ATOM 78 C1' C A 3 6.673 -3.944 2.683 1.00 0.00 C ATOM 79 N1 C A 3 5.928 -3.590 1.452 1.00 0.00 N ATOM 80 C2 C A 3 5.613 -2.253 1.266 1.00 0.00 C ATOM 81 O2 C A 3 5.936 -1.411 2.094 1.00 0.00 O ATOM 82 N3 C A 3 4.939 -1.889 0.146 1.00 0.00 N ATOM 83 C4 C A 3 4.578 -2.806 -0.750 1.00 0.00 C ATOM 84 N4 C A 3 3.919 -2.403 -1.826 1.00 0.00 N ATOM 85 C5 C A 3 4.885 -4.188 -0.572 1.00 0.00 C ATOM 86 C6 C A 3 5.563 -4.548 0.542 1.00 0.00 C ATOM 0 H5' C A 3 8.242 -7.680 2.516 1.00 0.00 H new ATOM 0 H5'' C A 3 6.914 -8.262 3.500 1.00 0.00 H new ATOM 0 H4' C A 3 7.623 -6.132 4.269 1.00 0.00 H new ATOM 0 H3' C A 3 4.837 -6.131 2.970 1.00 0.00 H new ATOM 0 H2' C A 3 4.743 -3.753 3.770 1.00 0.00 H new ATOM 0 HO2' C A 3 6.273 -4.668 5.661 1.00 0.00 H new ATOM 0 H1' C A 3 7.300 -3.091 2.943 1.00 0.00 H new ATOM 0 H41 C A 3 3.629 -3.081 -2.530 1.00 0.00 H new ATOM 0 H42 C A 3 3.702 -1.414 -1.950 1.00 0.00 H new ATOM 0 H5 C A 3 4.585 -4.924 -1.304 1.00 0.00 H new ATOM 0 H6 C A 3 5.815 -5.584 0.713 1.00 0.00 H new ATOM 98 P G A 4 3.530 -6.566 5.156 1.00 0.00 P ATOM 99 OP1 G A 4 2.918 -7.137 3.934 1.00 0.00 O ATOM 100 OP2 G A 4 3.362 -7.268 6.452 1.00 0.00 O ATOM 101 O5' G A 4 2.970 -5.064 5.319 1.00 0.00 O ATOM 102 C5' G A 4 3.285 -4.295 6.458 1.00 0.00 C ATOM 103 C4' G A 4 2.790 -2.857 6.296 1.00 0.00 C ATOM 104 O4' G A 4 3.410 -2.220 5.187 1.00 0.00 O ATOM 105 C3' G A 4 1.287 -2.744 6.072 1.00 0.00 C ATOM 106 O3' G A 4 0.539 -2.864 7.270 1.00 0.00 O ATOM 107 C2' G A 4 1.248 -1.328 5.511 1.00 0.00 C ATOM 108 O2' G A 4 1.453 -0.365 6.531 1.00 0.00 O ATOM 109 C1' G A 4 2.484 -1.306 4.614 1.00 0.00 C ATOM 110 N9 G A 4 2.123 -1.714 3.238 1.00 0.00 N ATOM 111 C8 G A 4 2.283 -2.927 2.618 1.00 0.00 C ATOM 112 N7 G A 4 1.859 -2.947 1.386 1.00 0.00 N ATOM 113 C5 G A 4 1.387 -1.659 1.169 1.00 0.00 C ATOM 114 C6 G A 4 0.797 -1.088 0.001 1.00 0.00 C ATOM 115 O6 G A 4 0.583 -1.612 -1.089 1.00 0.00 O ATOM 116 N1 G A 4 0.443 0.244 0.203 1.00 0.00 N ATOM 117 C2 G A 4 0.627 0.931 1.380 1.00 0.00 C ATOM 118 N2 G A 4 0.223 2.196 1.397 1.00 0.00 N ATOM 119 N3 G A 4 1.174 0.400 2.479 1.00 0.00 N ATOM 120 C4 G A 4 1.534 -0.895 2.300 1.00 0.00 C ATOM 0 H5' G A 4 4.363 -4.297 6.617 1.00 0.00 H new ATOM 0 H5'' G A 4 2.831 -4.743 7.342 1.00 0.00 H new ATOM 0 H4' G A 4 3.050 -2.377 7.239 1.00 0.00 H new ATOM 0 H3' G A 4 0.851 -3.520 5.443 1.00 0.00 H new ATOM 0 H2' G A 4 0.299 -1.100 5.026 1.00 0.00 H new ATOM 0 HO2' G A 4 1.254 -0.765 7.403 1.00 0.00 H new ATOM 0 H1' G A 4 2.914 -0.307 4.549 1.00 0.00 H new ATOM 0 H8 G A 4 2.720 -3.786 3.106 1.00 0.00 H new ATOM 0 H1 G A 4 0.017 0.745 -0.577 1.00 0.00 H new ATOM 0 H21 G A 4 0.334 2.755 2.243 1.00 0.00 H new ATOM 0 H22 G A 4 -0.198 2.608 0.564 1.00 0.00 H new ATOM 132 P C A 5 -1.025 -3.292 7.240 1.00 0.00 P ATOM 133 OP1 C A 5 -1.523 -3.272 8.635 1.00 0.00 O ATOM 134 OP2 C A 5 -1.139 -4.536 6.453 1.00 0.00 O ATOM 135 O5' C A 5 -1.755 -2.114 6.422 1.00 0.00 O ATOM 136 C5' C A 5 -1.904 -0.810 6.955 1.00 0.00 C ATOM 137 C4' C A 5 -2.585 0.100 5.935 1.00 0.00 C ATOM 138 O4' C A 5 -1.846 0.126 4.721 1.00 0.00 O ATOM 139 C3' C A 5 -3.996 -0.324 5.568 1.00 0.00 C ATOM 140 O3' C A 5 -4.968 0.098 6.507 1.00 0.00 O ATOM 141 C2' C A 5 -4.169 0.332 4.202 1.00 0.00 C ATOM 142 O2' C A 5 -4.620 1.665 4.334 1.00 0.00 O ATOM 143 C1' C A 5 -2.744 0.403 3.655 1.00 0.00 C ATOM 144 N1 C A 5 -2.587 -0.566 2.543 1.00 0.00 N ATOM 145 C2 C A 5 -3.203 -0.248 1.338 1.00 0.00 C ATOM 146 O2 C A 5 -3.842 0.795 1.217 1.00 0.00 O ATOM 147 N3 C A 5 -3.089 -1.104 0.294 1.00 0.00 N ATOM 148 C4 C A 5 -2.364 -2.214 0.409 1.00 0.00 C ATOM 149 N4 C A 5 -2.277 -3.022 -0.645 1.00 0.00 N ATOM 150 C5 C A 5 -1.692 -2.544 1.627 1.00 0.00 C ATOM 151 C6 C A 5 -1.865 -1.720 2.685 1.00 0.00 C ATOM 0 H5' C A 5 -0.928 -0.404 7.221 1.00 0.00 H new ATOM 0 H5'' C A 5 -2.494 -0.848 7.871 1.00 0.00 H new ATOM 0 H4' C A 5 -2.627 1.074 6.422 1.00 0.00 H new ATOM 0 H3' C A 5 -4.135 -1.405 5.558 1.00 0.00 H new ATOM 0 H2' C A 5 -4.881 -0.216 3.584 1.00 0.00 H new ATOM 0 HO2' C A 5 -4.619 2.099 3.456 1.00 0.00 H new ATOM 0 H1' C A 5 -2.528 1.395 3.258 1.00 0.00 H new ATOM 0 H41 C A 5 -1.728 -3.880 -0.586 1.00 0.00 H new ATOM 0 H42 C A 5 -2.759 -2.783 -1.512 1.00 0.00 H new ATOM 0 H5 C A 5 -1.067 -3.422 1.700 1.00 0.00 H new ATOM 0 H6 C A 5 -1.433 -1.973 3.642 1.00 0.00 H new ATOM 163 P A A 6 -6.450 -0.552 6.537 1.00 0.00 P ATOM 164 OP1 A A 6 -6.294 -2.022 6.514 1.00 0.00 O ATOM 165 OP2 A A 6 -7.202 0.076 7.648 1.00 0.00 O ATOM 166 O5' A A 6 -7.136 -0.120 5.154 1.00 0.00 O ATOM 167 C5' A A 6 -7.599 1.200 4.941 1.00 0.00 C ATOM 168 C4' A A 6 -7.901 1.393 3.454 1.00 0.00 C ATOM 169 O4' A A 6 -6.897 0.778 2.660 1.00 0.00 O ATOM 170 C3' A A 6 -9.189 0.731 2.992 1.00 0.00 C ATOM 171 O3' A A 6 -10.367 1.430 3.365 1.00 0.00 O ATOM 172 C2' A A 6 -8.953 0.713 1.484 1.00 0.00 C ATOM 173 O2' A A 6 -9.291 1.961 0.916 1.00 0.00 O ATOM 174 C1' A A 6 -7.432 0.581 1.371 1.00 0.00 C ATOM 175 N9 A A 6 -7.045 -0.746 0.886 1.00 0.00 N ATOM 176 C8 A A 6 -6.544 -1.802 1.599 1.00 0.00 C ATOM 177 N7 A A 6 -6.257 -2.848 0.870 1.00 0.00 N ATOM 178 C5 A A 6 -6.609 -2.452 -0.428 1.00 0.00 C ATOM 179 C6 A A 6 -6.565 -3.077 -1.693 1.00 0.00 C ATOM 180 N6 A A 6 -6.095 -4.307 -1.890 1.00 0.00 N ATOM 181 N1 A A 6 -7.016 -2.398 -2.756 1.00 0.00 N ATOM 182 C2 A A 6 -7.482 -1.169 -2.584 1.00 0.00 C ATOM 183 N3 A A 6 -7.562 -0.457 -1.466 1.00 0.00 N ATOM 184 C4 A A 6 -7.110 -1.177 -0.413 1.00 0.00 C ATOM 0 H5' A A 6 -6.848 1.919 5.268 1.00 0.00 H new ATOM 0 H5'' A A 6 -8.495 1.384 5.533 1.00 0.00 H new ATOM 0 H4' A A 6 -7.963 2.475 3.335 1.00 0.00 H new ATOM 0 H3' A A 6 -9.372 -0.245 3.441 1.00 0.00 H new ATOM 0 H2' A A 6 -9.531 -0.068 0.990 1.00 0.00 H new ATOM 0 HO2' A A 6 -8.594 2.616 1.128 1.00 0.00 H new ATOM 0 H1' A A 6 -7.054 1.316 0.660 1.00 0.00 H new ATOM 0 H8 A A 6 -6.399 -1.773 2.669 1.00 0.00 H new ATOM 0 H61 A A 6 -6.089 -4.706 -2.829 1.00 0.00 H new ATOM 0 H62 A A 6 -5.741 -4.850 -1.102 1.00 0.00 H new ATOM 0 H2 A A 6 -7.847 -0.680 -3.475 1.00 0.00 H new ATOM 196 P U A 7 -11.815 0.729 3.334 1.00 0.00 P ATOM 197 OP1 U A 7 -11.701 -0.559 4.060 1.00 0.00 O ATOM 198 OP2 U A 7 -12.829 1.715 3.770 1.00 0.00 O ATOM 199 O5' U A 7 -12.084 0.387 1.783 1.00 0.00 O ATOM 200 C5' U A 7 -12.376 1.406 0.845 1.00 0.00 C ATOM 201 C4' U A 7 -12.511 0.807 -0.565 1.00 0.00 C ATOM 202 O4' U A 7 -11.392 -0.030 -0.831 1.00 0.00 O ATOM 203 C3' U A 7 -13.778 -0.053 -0.661 1.00 0.00 C ATOM 204 O3' U A 7 -14.404 0.004 -1.936 1.00 0.00 O ATOM 205 C2' U A 7 -13.214 -1.436 -0.369 1.00 0.00 C ATOM 206 O2' U A 7 -14.062 -2.483 -0.814 1.00 0.00 O ATOM 207 C1' U A 7 -11.874 -1.328 -1.103 1.00 0.00 C ATOM 208 N1 U A 7 -10.933 -2.358 -0.621 1.00 0.00 N ATOM 209 C2 U A 7 -10.376 -3.211 -1.559 1.00 0.00 C ATOM 210 O2 U A 7 -10.646 -3.150 -2.755 1.00 0.00 O ATOM 211 N3 U A 7 -9.486 -4.157 -1.073 1.00 0.00 N ATOM 212 C4 U A 7 -9.121 -4.302 0.243 1.00 0.00 C ATOM 213 O4 U A 7 -8.321 -5.178 0.571 1.00 0.00 O ATOM 214 C5 U A 7 -9.736 -3.374 1.160 1.00 0.00 C ATOM 215 C6 U A 7 -10.630 -2.450 0.717 1.00 0.00 C ATOM 0 H5' U A 7 -11.586 2.157 0.855 1.00 0.00 H new ATOM 0 H5'' U A 7 -13.300 1.912 1.123 1.00 0.00 H new ATOM 0 H4' U A 7 -12.563 1.625 -1.284 1.00 0.00 H new ATOM 0 H3' U A 7 -14.571 0.270 0.013 1.00 0.00 H new ATOM 0 H2' U A 7 -13.114 -1.694 0.685 1.00 0.00 H new ATOM 0 HO2' U A 7 -14.635 -2.155 -1.538 1.00 0.00 H new ATOM 0 H1' U A 7 -11.986 -1.491 -2.175 1.00 0.00 H new ATOM 0 H3 U A 7 -9.068 -4.797 -1.748 1.00 0.00 H new ATOM 0 H5 U A 7 -9.484 -3.413 2.209 1.00 0.00 H new ATOM 0 H6 U A 7 -11.106 -1.784 1.421 1.00 0.00 H new ATOM 226 P C A 8 -15.018 1.383 -2.492 1.00 0.00 P ATOM 227 OP1 C A 8 -15.084 2.350 -1.378 1.00 0.00 O ATOM 228 OP2 C A 8 -16.242 1.069 -3.252 1.00 0.00 O ATOM 229 O5' C A 8 -13.900 1.888 -3.536 1.00 0.00 O ATOM 230 C5' C A 8 -13.924 1.431 -4.881 1.00 0.00 C ATOM 231 C4' C A 8 -12.862 2.125 -5.738 1.00 0.00 C ATOM 232 O4' C A 8 -12.993 3.538 -5.614 1.00 0.00 O ATOM 233 C3' C A 8 -11.446 1.760 -5.314 1.00 0.00 C ATOM 234 O3' C A 8 -10.951 0.615 -5.981 1.00 0.00 O ATOM 235 C2' C A 8 -10.731 3.057 -5.666 1.00 0.00 C ATOM 236 O2' C A 8 -10.475 3.242 -7.038 1.00 0.00 O ATOM 237 C1' C A 8 -11.752 4.082 -5.196 1.00 0.00 C ATOM 238 N1 C A 8 -11.756 4.292 -3.721 1.00 0.00 N ATOM 239 C2 C A 8 -12.648 5.247 -3.230 1.00 0.00 C ATOM 240 O2 C A 8 -13.387 5.865 -3.998 1.00 0.00 O ATOM 241 N3 C A 8 -12.690 5.487 -1.898 1.00 0.00 N ATOM 242 C4 C A 8 -11.882 4.820 -1.074 1.00 0.00 C ATOM 243 N4 C A 8 -11.960 5.087 0.227 1.00 0.00 N ATOM 244 C5 C A 8 -10.957 3.838 -1.549 1.00 0.00 C ATOM 245 C6 C A 8 -10.918 3.598 -2.880 1.00 0.00 C ATOM 0 H5' C A 8 -14.910 1.612 -5.308 1.00 0.00 H new ATOM 0 H5'' C A 8 -13.760 0.354 -4.901 1.00 0.00 H new ATOM 0 H4' C A 8 -13.022 1.794 -6.764 1.00 0.00 H new ATOM 0 H3' C A 8 -11.329 1.460 -4.273 1.00 0.00 H new ATOM 0 H2' C A 8 -9.739 3.105 -5.217 1.00 0.00 H new ATOM 0 HO2' C A 8 -10.016 4.098 -7.173 1.00 0.00 H new ATOM 0 H1' C A 8 -11.530 5.065 -5.610 1.00 0.00 H new ATOM 0 H41 C A 8 -11.356 4.595 0.886 1.00 0.00 H new ATOM 0 H42 C A 8 -12.623 5.784 0.566 1.00 0.00 H new ATOM 0 H5 C A 8 -10.311 3.305 -0.867 1.00 0.00 H new ATOM 0 H6 C A 8 -10.233 2.865 -3.280 1.00 0.00 H new ATOM 257 P G A 9 -9.484 0.026 -5.671 1.00 0.00 P ATOM 258 OP1 G A 9 -9.643 -1.328 -5.094 1.00 0.00 O ATOM 259 OP2 G A 9 -8.696 1.049 -4.946 1.00 0.00 O ATOM 260 O5' G A 9 -8.853 -0.139 -7.141 1.00 0.00 O ATOM 261 C5' G A 9 -8.901 0.928 -8.053 1.00 0.00 C ATOM 262 C4' G A 9 -8.202 0.531 -9.353 1.00 0.00 C ATOM 263 O4' G A 9 -8.971 -0.462 -10.003 1.00 0.00 O ATOM 264 C3' G A 9 -8.163 1.710 -10.320 1.00 0.00 C ATOM 265 O3' G A 9 -7.271 1.417 -11.379 1.00 0.00 O ATOM 266 C2' G A 9 -9.598 1.677 -10.821 1.00 0.00 C ATOM 267 O2' G A 9 -9.729 2.365 -12.051 1.00 0.00 O ATOM 268 C1' G A 9 -9.839 0.172 -10.937 1.00 0.00 C ATOM 269 N9 G A 9 -11.260 -0.201 -10.726 1.00 0.00 N ATOM 270 C8 G A 9 -12.322 0.578 -10.335 1.00 0.00 C ATOM 271 N7 G A 9 -13.456 -0.060 -10.258 1.00 0.00 N ATOM 272 C5 G A 9 -13.130 -1.368 -10.622 1.00 0.00 C ATOM 273 C6 G A 9 -13.959 -2.525 -10.731 1.00 0.00 C ATOM 274 O6 G A 9 -15.165 -2.633 -10.515 1.00 0.00 O ATOM 275 N1 G A 9 -13.238 -3.637 -11.142 1.00 0.00 N ATOM 276 C2 G A 9 -11.889 -3.642 -11.401 1.00 0.00 C ATOM 277 N2 G A 9 -11.353 -4.798 -11.784 1.00 0.00 N ATOM 278 N3 G A 9 -11.102 -2.566 -11.290 1.00 0.00 N ATOM 279 C4 G A 9 -11.787 -1.463 -10.897 1.00 0.00 C ATOM 0 H5' G A 9 -8.419 1.807 -7.624 1.00 0.00 H new ATOM 0 H5'' G A 9 -9.937 1.199 -8.255 1.00 0.00 H new ATOM 0 H4' G A 9 -7.197 0.191 -9.103 1.00 0.00 H new ATOM 0 H3' G A 9 -7.841 2.662 -9.898 1.00 0.00 H new ATOM 0 H2' G A 9 -10.323 2.175 -10.178 1.00 0.00 H new ATOM 0 HO2' G A 9 -8.856 2.413 -12.494 1.00 0.00 H new ATOM 0 H1' G A 9 -9.618 -0.162 -11.951 1.00 0.00 H new ATOM 0 H8 G A 9 -12.225 1.630 -10.110 1.00 0.00 H new ATOM 0 H1 G A 9 -13.746 -4.514 -11.260 1.00 0.00 H new ATOM 0 H21 G A 9 -10.355 -4.855 -11.988 1.00 0.00 H new ATOM 0 H22 G A 9 -11.940 -5.627 -11.873 1.00 0.00 H new ATOM 291 P G A 10 -5.739 1.916 -11.304 1.00 0.00 P ATOM 292 OP1 G A 10 -4.993 1.261 -12.405 1.00 0.00 O ATOM 293 OP2 G A 10 -5.759 3.396 -11.216 1.00 0.00 O ATOM 294 O5' G A 10 -5.249 1.286 -9.905 1.00 0.00 O ATOM 295 C5' G A 10 -4.281 1.928 -9.100 1.00 0.00 C ATOM 296 C4' G A 10 -4.842 3.168 -8.405 1.00 0.00 C ATOM 297 O4' G A 10 -5.957 2.877 -7.558 1.00 0.00 O ATOM 298 C3' G A 10 -3.721 3.750 -7.551 1.00 0.00 C ATOM 299 O3' G A 10 -3.293 4.982 -8.107 1.00 0.00 O ATOM 300 C2' G A 10 -4.385 3.941 -6.188 1.00 0.00 C ATOM 301 O2' G A 10 -4.869 5.255 -6.003 1.00 0.00 O ATOM 302 C1' G A 10 -5.569 2.977 -6.195 1.00 0.00 C ATOM 303 N9 G A 10 -5.214 1.640 -5.663 1.00 0.00 N ATOM 304 C8 G A 10 -5.179 0.451 -6.348 1.00 0.00 C ATOM 305 N7 G A 10 -4.802 -0.571 -5.625 1.00 0.00 N ATOM 306 C5 G A 10 -4.574 -0.022 -4.366 1.00 0.00 C ATOM 307 C6 G A 10 -4.119 -0.635 -3.162 1.00 0.00 C ATOM 308 O6 G A 10 -3.792 -1.808 -2.965 1.00 0.00 O ATOM 309 N1 G A 10 -4.059 0.275 -2.113 1.00 0.00 N ATOM 310 C2 G A 10 -4.380 1.610 -2.208 1.00 0.00 C ATOM 311 N2 G A 10 -4.280 2.329 -1.090 1.00 0.00 N ATOM 312 N3 G A 10 -4.771 2.204 -3.340 1.00 0.00 N ATOM 313 C4 G A 10 -4.847 1.330 -4.376 1.00 0.00 C ATOM 0 H5' G A 10 -3.429 2.213 -9.717 1.00 0.00 H new ATOM 0 H5'' G A 10 -3.912 1.228 -8.350 1.00 0.00 H new ATOM 0 H4' G A 10 -5.195 3.861 -9.169 1.00 0.00 H new ATOM 0 H3' G A 10 -2.832 3.123 -7.489 1.00 0.00 H new ATOM 0 H2' G A 10 -3.669 3.759 -5.386 1.00 0.00 H new ATOM 0 HO2' G A 10 -4.827 5.742 -6.852 1.00 0.00 H new ATOM 0 H1' G A 10 -6.369 3.345 -5.552 1.00 0.00 H new ATOM 0 H8 G A 10 -5.440 0.367 -7.393 1.00 0.00 H new ATOM 0 H1 G A 10 -3.754 -0.073 -1.204 1.00 0.00 H new ATOM 0 H21 G A 10 -4.505 3.324 -1.102 1.00 0.00 H new ATOM 0 H22 G A 10 -3.978 1.884 -0.223 1.00 0.00 H new ATOM 325 P C A 11 -1.747 5.426 -8.058 1.00 0.00 P ATOM 326 OP1 C A 11 -1.598 6.671 -8.852 1.00 0.00 O ATOM 327 OP2 C A 11 -0.901 4.253 -8.379 1.00 0.00 O ATOM 328 O5' C A 11 -1.530 5.783 -6.500 1.00 0.00 O ATOM 329 C5' C A 11 -2.123 6.929 -5.934 1.00 0.00 C ATOM 330 C4' C A 11 -1.960 6.876 -4.415 1.00 0.00 C ATOM 331 O4' C A 11 -2.557 5.707 -3.876 1.00 0.00 O ATOM 332 C3' C A 11 -0.491 6.835 -4.013 1.00 0.00 C ATOM 333 O3' C A 11 0.098 8.119 -4.005 1.00 0.00 O ATOM 334 C2' C A 11 -0.578 6.197 -2.632 1.00 0.00 C ATOM 335 O2' C A 11 -0.894 7.172 -1.650 1.00 0.00 O ATOM 336 C1' C A 11 -1.790 5.261 -2.770 1.00 0.00 C ATOM 337 N1 C A 11 -1.335 3.869 -2.971 1.00 0.00 N ATOM 338 C2 C A 11 -1.049 3.110 -1.837 1.00 0.00 C ATOM 339 O2 C A 11 -1.138 3.594 -0.712 1.00 0.00 O ATOM 340 N3 C A 11 -0.667 1.820 -1.991 1.00 0.00 N ATOM 341 C4 C A 11 -0.552 1.286 -3.211 1.00 0.00 C ATOM 342 N4 C A 11 -0.176 0.016 -3.312 1.00 0.00 N ATOM 343 C5 C A 11 -0.822 2.039 -4.392 1.00 0.00 C ATOM 344 C6 C A 11 -1.216 3.323 -4.220 1.00 0.00 C ATOM 0 H5' C A 11 -3.180 6.975 -6.198 1.00 0.00 H new ATOM 0 H5'' C A 11 -1.656 7.830 -6.331 1.00 0.00 H new ATOM 0 H4' C A 11 -2.441 7.775 -4.030 1.00 0.00 H new ATOM 0 H3' C A 11 0.151 6.286 -4.702 1.00 0.00 H new ATOM 0 H2' C A 11 0.352 5.712 -2.335 1.00 0.00 H new ATOM 0 HO2' C A 11 -0.947 6.744 -0.770 1.00 0.00 H new ATOM 0 H1' C A 11 -2.398 5.281 -1.865 1.00 0.00 H new ATOM 0 H41 C A 11 -0.080 -0.416 -4.231 1.00 0.00 H new ATOM 0 H42 C A 11 0.017 -0.527 -2.470 1.00 0.00 H new ATOM 0 H5 C A 11 -0.717 1.606 -5.376 1.00 0.00 H new ATOM 0 H6 C A 11 -1.441 3.928 -5.086 1.00 0.00 H new ATOM 356 P G A 12 1.700 8.303 -4.123 1.00 0.00 P ATOM 357 OP1 G A 12 1.973 9.746 -4.285 1.00 0.00 O ATOM 358 OP2 G A 12 2.192 7.352 -5.151 1.00 0.00 O ATOM 359 O5' G A 12 2.267 7.826 -2.697 1.00 0.00 O ATOM 360 C5' G A 12 2.082 8.610 -1.539 1.00 0.00 C ATOM 361 C4' G A 12 2.884 8.025 -0.376 1.00 0.00 C ATOM 362 O4' G A 12 2.327 6.797 0.073 1.00 0.00 O ATOM 363 C3' G A 12 4.337 7.728 -0.755 1.00 0.00 C ATOM 364 O3' G A 12 5.159 8.879 -0.655 1.00 0.00 O ATOM 365 C2' G A 12 4.698 6.678 0.287 1.00 0.00 C ATOM 366 O2' G A 12 4.988 7.298 1.525 1.00 0.00 O ATOM 367 C1' G A 12 3.383 5.912 0.423 1.00 0.00 C ATOM 368 N9 G A 12 3.358 4.736 -0.471 1.00 0.00 N ATOM 369 C8 G A 12 3.078 4.670 -1.814 1.00 0.00 C ATOM 370 N7 G A 12 3.089 3.458 -2.298 1.00 0.00 N ATOM 371 C5 G A 12 3.436 2.667 -1.208 1.00 0.00 C ATOM 372 C6 G A 12 3.638 1.262 -1.124 1.00 0.00 C ATOM 373 O6 G A 12 3.494 0.415 -2.001 1.00 0.00 O ATOM 374 N1 G A 12 4.048 0.866 0.138 1.00 0.00 N ATOM 375 C2 G A 12 4.221 1.721 1.201 1.00 0.00 C ATOM 376 N2 G A 12 4.646 1.173 2.340 1.00 0.00 N ATOM 377 N3 G A 12 3.993 3.036 1.145 1.00 0.00 N ATOM 378 C4 G A 12 3.626 3.443 -0.094 1.00 0.00 C ATOM 0 H5' G A 12 1.024 8.646 -1.280 1.00 0.00 H new ATOM 0 H5'' G A 12 2.398 9.635 -1.730 1.00 0.00 H new ATOM 0 H4' G A 12 2.847 8.786 0.404 1.00 0.00 H new ATOM 0 H3' G A 12 4.473 7.403 -1.786 1.00 0.00 H new ATOM 0 H2' G A 12 5.562 6.072 0.016 1.00 0.00 H new ATOM 0 HO2' G A 12 5.182 8.247 1.378 1.00 0.00 H new ATOM 0 H1' G A 12 3.273 5.555 1.447 1.00 0.00 H new ATOM 0 H8 G A 12 2.868 5.542 -2.415 1.00 0.00 H new ATOM 0 H1 G A 12 4.234 -0.125 0.289 1.00 0.00 H new ATOM 0 H21 G A 12 4.793 1.757 3.163 1.00 0.00 H new ATOM 0 H22 G A 12 4.824 0.170 2.388 1.00 0.00 H new ATOM 390 P C A 13 6.451 9.040 -1.599 1.00 0.00 P ATOM 391 OP1 C A 13 7.062 10.359 -1.314 1.00 0.00 O ATOM 392 OP2 C A 13 6.056 8.714 -2.986 1.00 0.00 O ATOM 393 O5' C A 13 7.461 7.900 -1.079 1.00 0.00 O ATOM 394 C5' C A 13 8.173 8.042 0.127 1.00 0.00 C ATOM 395 C4' C A 13 9.110 6.851 0.328 1.00 0.00 C ATOM 396 O4' C A 13 8.395 5.659 0.605 1.00 0.00 O ATOM 397 C3' C A 13 9.960 6.560 -0.903 1.00 0.00 C ATOM 398 O3' C A 13 11.067 7.434 -1.054 1.00 0.00 O ATOM 399 C2' C A 13 10.366 5.122 -0.615 1.00 0.00 C ATOM 400 O2' C A 13 11.410 5.073 0.339 1.00 0.00 O ATOM 401 C1' C A 13 9.111 4.559 0.046 1.00 0.00 C ATOM 402 N1 C A 13 8.270 3.846 -0.940 1.00 0.00 N ATOM 403 C2 C A 13 8.368 2.460 -0.996 1.00 0.00 C ATOM 404 O2 C A 13 9.155 1.866 -0.265 1.00 0.00 O ATOM 405 N3 C A 13 7.577 1.777 -1.862 1.00 0.00 N ATOM 406 C4 C A 13 6.733 2.428 -2.667 1.00 0.00 C ATOM 407 N4 C A 13 5.969 1.719 -3.492 1.00 0.00 N ATOM 408 C5 C A 13 6.640 3.849 -2.652 1.00 0.00 C ATOM 409 C6 C A 13 7.425 4.517 -1.777 1.00 0.00 C ATOM 0 H5' C A 13 7.477 8.112 0.963 1.00 0.00 H new ATOM 0 H5'' C A 13 8.748 8.968 0.112 1.00 0.00 H new ATOM 0 H4' C A 13 9.742 7.137 1.169 1.00 0.00 H new ATOM 0 H3' C A 13 9.440 6.707 -1.850 1.00 0.00 H new ATOM 0 H2' C A 13 10.707 4.596 -1.507 1.00 0.00 H new ATOM 0 HO2' C A 13 11.654 4.139 0.510 1.00 0.00 H new ATOM 0 H1' C A 13 9.382 3.840 0.819 1.00 0.00 H new ATOM 0 H41 C A 13 5.316 2.193 -4.117 1.00 0.00 H new ATOM 0 H42 C A 13 6.035 0.701 -3.500 1.00 0.00 H new ATOM 0 H5 C A 13 5.968 4.373 -3.315 1.00 0.00 H new ATOM 0 H6 C A 13 7.383 5.596 -1.740 1.00 0.00 H new ATOM 421 P C A 14 11.788 7.611 -2.479 1.00 0.00 P ATOM 422 OP1 C A 14 10.738 7.799 -3.506 1.00 0.00 O ATOM 423 OP2 C A 14 12.851 8.629 -2.336 1.00 0.00 O ATOM 424 O5' C A 14 12.492 6.188 -2.745 1.00 0.00 O ATOM 425 C5' C A 14 13.628 5.790 -2.001 1.00 0.00 C ATOM 426 C4' C A 14 14.037 4.372 -2.407 1.00 0.00 C ATOM 427 O4' C A 14 13.035 3.424 -2.066 1.00 0.00 O ATOM 428 C3' C A 14 14.263 4.232 -3.909 1.00 0.00 C ATOM 429 O3' C A 14 15.531 4.706 -4.332 1.00 0.00 O ATOM 430 C2' C A 14 14.144 2.720 -4.050 1.00 0.00 C ATOM 431 O2' C A 14 15.346 2.071 -3.683 1.00 0.00 O ATOM 432 C1' C A 14 13.071 2.372 -3.019 1.00 0.00 C ATOM 433 N1 C A 14 11.760 2.246 -3.698 1.00 0.00 N ATOM 434 C2 C A 14 11.284 0.961 -3.938 1.00 0.00 C ATOM 435 O2 C A 14 11.924 -0.020 -3.563 1.00 0.00 O ATOM 436 N3 C A 14 10.102 0.810 -4.591 1.00 0.00 N ATOM 437 C4 C A 14 9.410 1.879 -4.989 1.00 0.00 C ATOM 438 N4 C A 14 8.266 1.688 -5.644 1.00 0.00 N ATOM 439 C5 C A 14 9.867 3.211 -4.729 1.00 0.00 C ATOM 440 C6 C A 14 11.046 3.348 -4.080 1.00 0.00 C ATOM 0 H5' C A 14 13.407 5.824 -0.934 1.00 0.00 H new ATOM 0 H5'' C A 14 14.452 6.482 -2.178 1.00 0.00 H new ATOM 0 H4' C A 14 14.965 4.183 -1.867 1.00 0.00 H new ATOM 0 H3' C A 14 13.575 4.816 -4.521 1.00 0.00 H new ATOM 0 H2' C A 14 13.919 2.415 -5.072 1.00 0.00 H new ATOM 0 HO2' C A 14 16.100 2.686 -3.802 1.00 0.00 H new ATOM 0 HO3' C A 14 15.618 4.588 -5.301 1.00 0.00 H new ATOM 0 H1' C A 14 13.294 1.426 -2.525 1.00 0.00 H new ATOM 0 H41 C A 14 7.719 2.489 -5.959 1.00 0.00 H new ATOM 0 H42 C A 14 7.937 0.741 -5.831 1.00 0.00 H new ATOM 0 H5 C A 14 9.293 4.072 -5.039 1.00 0.00 H new ATOM 0 H6 C A 14 11.426 4.335 -3.862 1.00 0.00 H new TER 453 C A 14