USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 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 -18:sc= 0.0302 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0228 USER MOD Single : A 2 G O2' : rot -21:sc= 0.00831 USER MOD Single : A 3 C O2' : rot -21:sc= 0.0922 USER MOD Single : A 4 G O2' : rot 180:sc= -0.0176 USER MOD Single : A 5 G O2' : rot -28:sc= 0.336 USER MOD Single : A 6 U O2' : rot 149:sc= 1.33 USER MOD Single : A 7 G O2' : rot -17:sc= 0.156 USER MOD Single : A 8 A O2' : rot -27:sc= 0.185 USER MOD Single : A 9 A O2' : rot -16:sc= 0.228 USER MOD Single : A 10 A O2' : rot -25:sc= 0.152 USER MOD Single : A 11 U O2' : rot -23:sc= 0.173 USER MOD Single : A 12 G O2' : rot -103:sc= 0.256 USER MOD Single : A 13 C O2' : rot -14:sc= 0.119 USER MOD Single : A 14 C O2' : rot -19:sc= 0.267 USER MOD Single : A 14 C O3' : rot 180:sc= 0.219 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 14.130 -10.778 -9.342 1.00 10.00 O ATOM 2 C5' G A 1 13.836 -11.637 -10.435 1.00 10.00 C ATOM 3 C4' G A 1 12.779 -12.692 -10.083 1.00 10.00 C ATOM 4 O4' G A 1 13.176 -13.522 -9.000 1.00 10.00 O ATOM 5 C3' G A 1 11.426 -12.086 -9.720 1.00 10.00 C ATOM 6 O3' G A 1 10.702 -11.727 -10.887 1.00 10.00 O ATOM 7 C2' G A 1 10.810 -13.230 -8.907 1.00 10.00 C ATOM 8 O2' G A 1 10.262 -14.264 -9.718 1.00 10.00 O ATOM 9 C1' G A 1 12.046 -13.758 -8.166 1.00 10.00 C ATOM 10 N9 G A 1 12.241 -13.079 -6.858 1.00 10.00 N ATOM 11 C8 G A 1 13.197 -12.162 -6.485 1.00 10.00 C ATOM 12 N7 G A 1 13.243 -11.916 -5.207 1.00 10.00 N ATOM 13 C5 G A 1 12.209 -12.696 -4.686 1.00 10.00 C ATOM 14 C6 G A 1 11.797 -12.941 -3.329 1.00 10.00 C ATOM 15 O6 G A 1 12.348 -12.627 -2.275 1.00 10.00 O ATOM 16 N1 G A 1 10.657 -13.710 -3.248 1.00 10.00 N ATOM 17 C2 G A 1 10.084 -14.329 -4.308 1.00 10.00 C ATOM 18 N2 G A 1 9.088 -15.125 -4.045 1.00 10.00 N ATOM 19 N3 G A 1 10.514 -14.248 -5.569 1.00 10.00 N ATOM 20 C4 G A 1 11.564 -13.378 -5.697 1.00 10.00 C ATOM 0 H5' G A 1 14.750 -12.136 -10.757 1.00 10.00 H new ATOM 0 H5'' G A 1 13.484 -11.041 -11.277 1.00 10.00 H new ATOM 0 H4' G A 1 12.682 -13.283 -10.993 1.00 10.00 H new ATOM 0 H3' G A 1 11.453 -11.149 -9.163 1.00 10.00 H new ATOM 0 H2' G A 1 9.979 -12.903 -8.283 1.00 10.00 H new ATOM 0 HO2' G A 1 10.121 -13.926 -10.627 1.00 10.00 H new ATOM 0 HO5' G A 1 14.809 -10.125 -9.613 1.00 10.00 H new ATOM 0 H1' G A 1 11.915 -14.820 -7.959 1.00 10.00 H new ATOM 0 H8 G A 1 13.856 -11.685 -7.195 1.00 10.00 H new ATOM 0 H1 G A 1 10.218 -13.820 -2.334 1.00 10.00 H new ATOM 0 H21 G A 1 8.616 -15.619 -4.802 1.00 10.00 H new ATOM 0 H22 G A 1 8.779 -15.254 -3.081 1.00 10.00 H new ATOM 33 P G A 2 10.075 -10.266 -11.071 1.00 10.00 P ATOM 34 OP1 G A 2 9.541 -10.175 -12.448 1.00 10.00 O ATOM 35 OP2 G A 2 11.052 -9.261 -10.614 1.00 10.00 O ATOM 36 O5' G A 2 8.849 -10.265 -10.052 1.00 10.00 O ATOM 37 C5' G A 2 7.745 -11.112 -10.310 1.00 10.00 C ATOM 38 C4' G A 2 6.963 -11.489 -9.056 1.00 10.00 C ATOM 39 O4' G A 2 7.724 -12.280 -8.144 1.00 10.00 O ATOM 40 C3' G A 2 6.404 -10.333 -8.229 1.00 10.00 C ATOM 41 O3' G A 2 5.298 -9.692 -8.842 1.00 10.00 O ATOM 42 C2' G A 2 6.024 -11.133 -6.977 1.00 10.00 C ATOM 43 O2' G A 2 4.870 -11.938 -7.197 1.00 10.00 O ATOM 44 C1' G A 2 7.250 -12.036 -6.817 1.00 10.00 C ATOM 45 N9 G A 2 8.271 -11.348 -5.986 1.00 10.00 N ATOM 46 C8 G A 2 9.434 -10.721 -6.361 1.00 10.00 C ATOM 47 N7 G A 2 10.093 -10.171 -5.377 1.00 10.00 N ATOM 48 C5 G A 2 9.307 -10.465 -4.250 1.00 10.00 C ATOM 49 C6 G A 2 9.473 -10.167 -2.851 1.00 10.00 C ATOM 50 O6 G A 2 10.391 -9.568 -2.294 1.00 10.00 O ATOM 51 N1 G A 2 8.447 -10.644 -2.057 1.00 10.00 N ATOM 52 C2 G A 2 7.381 -11.333 -2.531 1.00 10.00 C ATOM 53 N2 G A 2 6.462 -11.681 -1.671 1.00 10.00 N ATOM 54 N3 G A 2 7.197 -11.655 -3.811 1.00 10.00 N ATOM 55 C4 G A 2 8.192 -11.188 -4.624 1.00 10.00 C ATOM 0 H5' G A 2 8.100 -12.022 -10.795 1.00 10.00 H new ATOM 0 H5'' G A 2 7.074 -10.618 -11.012 1.00 10.00 H new ATOM 0 H4' G A 2 6.131 -12.040 -9.495 1.00 10.00 H new ATOM 0 H3' G A 2 7.078 -9.492 -8.069 1.00 10.00 H new ATOM 0 H2' G A 2 5.788 -10.505 -6.118 1.00 10.00 H new ATOM 0 HO2' G A 2 4.359 -11.578 -7.952 1.00 10.00 H new ATOM 0 H1' G A 2 7.018 -12.975 -6.314 1.00 10.00 H new ATOM 0 H8 G A 2 9.775 -10.686 -7.385 1.00 10.00 H new ATOM 0 H1 G A 2 8.495 -10.467 -1.054 1.00 10.00 H new ATOM 0 H21 G A 2 5.642 -12.201 -1.983 1.00 10.00 H new ATOM 0 H22 G A 2 6.564 -11.433 -0.687 1.00 10.00 H new ATOM 67 P C A 3 4.859 -8.231 -8.390 1.00 10.00 P ATOM 68 OP1 C A 3 3.632 -7.906 -9.143 1.00 10.00 O ATOM 69 OP2 C A 3 6.063 -7.380 -8.519 1.00 10.00 O ATOM 70 O5' C A 3 4.451 -8.373 -6.862 1.00 10.00 O ATOM 71 C5' C A 3 3.256 -9.023 -6.440 1.00 10.00 C ATOM 72 C4' C A 3 3.187 -9.044 -4.912 1.00 10.00 C ATOM 73 O4' C A 3 4.371 -9.618 -4.362 1.00 10.00 O ATOM 74 C3' C A 3 3.042 -7.651 -4.304 1.00 10.00 C ATOM 75 O3' C A 3 1.698 -7.221 -4.249 1.00 10.00 O ATOM 76 C2' C A 3 3.581 -7.912 -2.903 1.00 10.00 C ATOM 77 O2' C A 3 2.645 -8.558 -2.055 1.00 10.00 O ATOM 78 C1' C A 3 4.721 -8.893 -3.178 1.00 10.00 C ATOM 79 N1 C A 3 6.039 -8.167 -3.253 1.00 10.00 N ATOM 80 C2 C A 3 6.586 -7.787 -2.040 1.00 10.00 C ATOM 81 O2 C A 3 5.950 -7.938 -0.980 1.00 10.00 O ATOM 82 N3 C A 3 7.819 -7.233 -1.981 1.00 10.00 N ATOM 83 C4 C A 3 8.474 -7.025 -3.070 1.00 10.00 C ATOM 84 N4 C A 3 9.648 -6.468 -2.925 1.00 10.00 N ATOM 85 C5 C A 3 7.925 -7.299 -4.356 1.00 10.00 C ATOM 86 C6 C A 3 6.688 -7.891 -4.417 1.00 10.00 C ATOM 0 H5' C A 3 3.229 -10.041 -6.828 1.00 10.00 H new ATOM 0 H5'' C A 3 2.387 -8.504 -6.845 1.00 10.00 H new ATOM 0 H4' C A 3 2.305 -9.636 -4.669 1.00 10.00 H new ATOM 0 H3' C A 3 3.548 -6.867 -4.868 1.00 10.00 H new ATOM 0 H2' C A 3 3.850 -6.983 -2.400 1.00 10.00 H new ATOM 0 HO2' C A 3 1.739 -8.420 -2.402 1.00 10.00 H new ATOM 0 H1' C A 3 4.855 -9.610 -2.368 1.00 10.00 H new ATOM 0 H41 C A 3 10.224 -6.273 -3.744 1.00 10.00 H new ATOM 0 H42 C A 3 9.987 -6.229 -1.993 1.00 10.00 H new ATOM 0 H5 C A 3 8.466 -7.048 -5.256 1.00 10.00 H new ATOM 0 H6 C A 3 6.239 -8.133 -5.369 1.00 10.00 H new ATOM 98 P G A 4 1.331 -5.685 -4.273 1.00 10.00 P ATOM 99 OP1 G A 4 -0.143 -5.634 -4.167 1.00 10.00 O ATOM 100 OP2 G A 4 1.986 -5.098 -5.459 1.00 10.00 O ATOM 101 O5' G A 4 1.986 -5.019 -2.973 1.00 10.00 O ATOM 102 C5' G A 4 1.470 -5.163 -1.655 1.00 10.00 C ATOM 103 C4' G A 4 2.477 -4.620 -0.618 1.00 10.00 C ATOM 104 O4' G A 4 3.753 -5.247 -0.748 1.00 10.00 O ATOM 105 C3' G A 4 2.714 -3.115 -0.749 1.00 10.00 C ATOM 106 O3' G A 4 1.727 -2.332 -0.084 1.00 10.00 O ATOM 107 C2' G A 4 4.128 -2.962 -0.173 1.00 10.00 C ATOM 108 O2' G A 4 4.170 -2.877 1.244 1.00 10.00 O ATOM 109 C1' G A 4 4.790 -4.276 -0.585 1.00 10.00 C ATOM 110 N9 G A 4 5.574 -4.109 -1.832 1.00 10.00 N ATOM 111 C8 G A 4 5.199 -4.307 -3.135 1.00 10.00 C ATOM 112 N7 G A 4 6.119 -4.019 -4.019 1.00 10.00 N ATOM 113 C5 G A 4 7.222 -3.649 -3.237 1.00 10.00 C ATOM 114 C6 G A 4 8.574 -3.289 -3.584 1.00 10.00 C ATOM 115 O6 G A 4 9.111 -3.244 -4.692 1.00 10.00 O ATOM 116 N1 G A 4 9.353 -2.969 -2.491 1.00 10.00 N ATOM 117 C2 G A 4 8.909 -3.036 -1.214 1.00 10.00 C ATOM 118 N2 G A 4 9.779 -2.813 -0.279 1.00 10.00 N ATOM 119 N3 G A 4 7.682 -3.392 -0.842 1.00 10.00 N ATOM 120 C4 G A 4 6.879 -3.684 -1.900 1.00 10.00 C ATOM 0 H5' G A 4 1.261 -6.213 -1.453 1.00 10.00 H new ATOM 0 H5'' G A 4 0.525 -4.628 -1.568 1.00 10.00 H new ATOM 0 H4' G A 4 2.025 -4.840 0.349 1.00 10.00 H new ATOM 0 H3' G A 4 2.633 -2.746 -1.771 1.00 10.00 H new ATOM 0 H2' G A 4 4.595 -2.045 -0.532 1.00 10.00 H new ATOM 0 HO2' G A 4 5.100 -2.782 1.539 1.00 10.00 H new ATOM 0 H1' G A 4 5.493 -4.604 0.181 1.00 10.00 H new ATOM 0 H8 G A 4 4.221 -4.672 -3.410 1.00 10.00 H new ATOM 0 H1 G A 4 10.313 -2.666 -2.654 1.00 10.00 H new ATOM 0 H21 G A 4 9.496 -2.851 0.700 1.00 10.00 H new ATOM 0 H22 G A 4 10.746 -2.599 -0.523 1.00 10.00 H new ATOM 132 P G A 5 1.610 -0.777 -0.385 1.00 10.00 P ATOM 133 OP1 G A 5 0.419 -0.275 0.343 1.00 10.00 O ATOM 134 OP2 G A 5 1.677 -0.615 -1.851 1.00 10.00 O ATOM 135 O5' G A 5 2.899 -0.090 0.243 1.00 10.00 O ATOM 136 C5' G A 5 3.083 0.111 1.633 1.00 10.00 C ATOM 137 C4' G A 5 4.468 0.734 1.877 1.00 10.00 C ATOM 138 O4' G A 5 5.544 -0.034 1.327 1.00 10.00 O ATOM 139 C3' G A 5 4.553 2.143 1.293 1.00 10.00 C ATOM 140 O3' G A 5 4.020 3.084 2.213 1.00 10.00 O ATOM 141 C2' G A 5 6.065 2.282 1.106 1.00 10.00 C ATOM 142 O2' G A 5 6.690 2.622 2.339 1.00 10.00 O ATOM 143 C1' G A 5 6.476 0.860 0.704 1.00 10.00 C ATOM 144 N9 G A 5 6.504 0.635 -0.768 1.00 10.00 N ATOM 145 C8 G A 5 5.465 0.417 -1.639 1.00 10.00 C ATOM 146 N7 G A 5 5.813 0.295 -2.890 1.00 10.00 N ATOM 147 C5 G A 5 7.206 0.406 -2.855 1.00 10.00 C ATOM 148 C6 G A 5 8.190 0.332 -3.902 1.00 10.00 C ATOM 149 O6 G A 5 8.019 0.221 -5.117 1.00 10.00 O ATOM 150 N1 G A 5 9.490 0.360 -3.440 1.00 10.00 N ATOM 151 C2 G A 5 9.809 0.425 -2.121 1.00 10.00 C ATOM 152 N2 G A 5 11.039 0.168 -1.774 1.00 10.00 N ATOM 153 N3 G A 5 8.930 0.539 -1.127 1.00 10.00 N ATOM 154 C4 G A 5 7.635 0.540 -1.552 1.00 10.00 C ATOM 0 H5' G A 5 2.999 -0.837 2.164 1.00 10.00 H new ATOM 0 H5'' G A 5 2.303 0.765 2.024 1.00 10.00 H new ATOM 0 H4' G A 5 4.577 0.756 2.961 1.00 10.00 H new ATOM 0 H3' G A 5 3.990 2.314 0.375 1.00 10.00 H new ATOM 0 H2' G A 5 6.343 3.053 0.387 1.00 10.00 H new ATOM 0 HO2' G A 5 6.056 3.111 2.903 1.00 10.00 H new ATOM 0 H1' G A 5 7.500 0.686 1.036 1.00 10.00 H new ATOM 0 H8 G A 5 4.438 0.352 -1.313 1.00 10.00 H new ATOM 0 H1 G A 5 10.248 0.330 -4.122 1.00 10.00 H new ATOM 0 H21 G A 5 11.311 0.208 -0.792 1.00 10.00 H new ATOM 0 H22 G A 5 11.730 -0.073 -2.485 1.00 10.00 H new ATOM 166 P U A 6 3.314 4.407 1.707 1.00 10.00 P ATOM 167 OP1 U A 6 2.795 5.108 2.902 1.00 10.00 O ATOM 168 OP2 U A 6 2.372 4.069 0.627 1.00 10.00 O ATOM 169 O5' U A 6 4.485 5.266 1.081 1.00 10.00 O ATOM 170 C5' U A 6 5.378 6.017 1.879 1.00 10.00 C ATOM 171 C4' U A 6 6.517 6.533 0.998 1.00 10.00 C ATOM 172 O4' U A 6 7.276 5.433 0.493 1.00 10.00 O ATOM 173 C3' U A 6 6.063 7.348 -0.219 1.00 10.00 C ATOM 174 O3' U A 6 5.693 8.703 0.027 1.00 10.00 O ATOM 175 C2' U A 6 7.337 7.215 -1.044 1.00 10.00 C ATOM 176 O2' U A 6 8.324 8.156 -0.621 1.00 10.00 O ATOM 177 C1' U A 6 7.824 5.791 -0.776 1.00 10.00 C ATOM 178 N1 U A 6 7.375 4.897 -1.889 1.00 10.00 N ATOM 179 C2 U A 6 8.234 4.711 -2.985 1.00 10.00 C ATOM 180 O2 U A 6 9.379 5.143 -3.027 1.00 10.00 O ATOM 181 N3 U A 6 7.745 4.015 -4.070 1.00 10.00 N ATOM 182 C4 U A 6 6.451 3.574 -4.206 1.00 10.00 C ATOM 183 O4 U A 6 6.064 3.096 -5.266 1.00 10.00 O ATOM 184 C5 U A 6 5.628 3.758 -3.030 1.00 10.00 C ATOM 185 C6 U A 6 6.092 4.402 -1.928 1.00 10.00 C ATOM 0 H5' U A 6 5.775 5.399 2.684 1.00 10.00 H new ATOM 0 H5'' U A 6 4.855 6.852 2.346 1.00 10.00 H new ATOM 0 H4' U A 6 7.097 7.188 1.648 1.00 10.00 H new ATOM 0 H3' U A 6 5.135 6.996 -0.670 1.00 10.00 H new ATOM 0 H2' U A 6 7.156 7.408 -2.101 1.00 10.00 H new ATOM 0 HO2' U A 6 9.217 7.779 -0.763 1.00 10.00 H new ATOM 0 H1' U A 6 8.910 5.701 -0.743 1.00 10.00 H new ATOM 0 H3 U A 6 8.394 3.812 -4.830 1.00 10.00 H new ATOM 0 H5 U A 6 4.619 3.373 -3.029 1.00 10.00 H new ATOM 0 H6 U A 6 5.446 4.527 -1.072 1.00 10.00 H new ATOM 196 P G A 7 5.023 9.600 -1.113 1.00 10.00 P ATOM 197 OP1 G A 7 4.732 10.922 -0.514 1.00 10.00 O ATOM 198 OP2 G A 7 3.889 8.853 -1.698 1.00 10.00 O ATOM 199 O5' G A 7 6.067 9.900 -2.293 1.00 10.00 O ATOM 200 C5' G A 7 5.632 10.620 -3.445 1.00 10.00 C ATOM 201 C4' G A 7 6.715 10.958 -4.487 1.00 10.00 C ATOM 202 O4' G A 7 7.654 11.940 -4.045 1.00 10.00 O ATOM 203 C3' G A 7 7.531 9.754 -4.946 1.00 10.00 C ATOM 204 O3' G A 7 6.953 8.970 -5.970 1.00 10.00 O ATOM 205 C2' G A 7 8.817 10.387 -5.434 1.00 10.00 C ATOM 206 O2' G A 7 8.693 10.819 -6.784 1.00 10.00 O ATOM 207 C1' G A 7 8.964 11.571 -4.490 1.00 10.00 C ATOM 208 N9 G A 7 9.784 11.215 -3.313 1.00 10.00 N ATOM 209 C8 G A 7 9.350 10.874 -2.059 1.00 10.00 C ATOM 210 N7 G A 7 10.296 10.849 -1.160 1.00 10.00 N ATOM 211 C5 G A 7 11.465 11.041 -1.904 1.00 10.00 C ATOM 212 C6 G A 7 12.854 11.015 -1.521 1.00 10.00 C ATOM 213 O6 G A 7 13.353 10.919 -0.401 1.00 10.00 O ATOM 214 N1 G A 7 13.719 11.103 -2.593 1.00 10.00 N ATOM 215 C2 G A 7 13.313 11.315 -3.869 1.00 10.00 C ATOM 216 N2 G A 7 14.251 11.416 -4.768 1.00 10.00 N ATOM 217 N3 G A 7 12.043 11.431 -4.262 1.00 10.00 N ATOM 218 C4 G A 7 11.159 11.242 -3.234 1.00 10.00 C ATOM 0 H5' G A 7 5.174 11.552 -3.113 1.00 10.00 H new ATOM 0 H5'' G A 7 4.853 10.039 -3.938 1.00 10.00 H new ATOM 0 H4' G A 7 6.123 11.347 -5.316 1.00 10.00 H new ATOM 0 H3' G A 7 7.635 9.039 -4.129 1.00 10.00 H new ATOM 0 H2' G A 7 9.672 9.711 -5.428 1.00 10.00 H new ATOM 0 HO2' G A 7 7.914 10.389 -7.195 1.00 10.00 H new ATOM 0 H1' G A 7 9.456 12.391 -5.014 1.00 10.00 H new ATOM 0 H8 G A 7 8.318 10.646 -1.835 1.00 10.00 H new ATOM 0 H1 G A 7 14.718 11.003 -2.415 1.00 10.00 H new ATOM 0 H21 G A 7 14.006 11.576 -5.745 1.00 10.00 H new ATOM 0 H22 G A 7 15.230 11.335 -4.494 1.00 10.00 H new ATOM 230 P A A 8 7.195 7.404 -5.991 1.00 10.00 P ATOM 231 OP1 A A 8 6.765 6.936 -7.325 1.00 10.00 O ATOM 232 OP2 A A 8 6.593 6.846 -4.768 1.00 10.00 O ATOM 233 O5' A A 8 8.783 7.252 -5.919 1.00 10.00 O ATOM 234 C5' A A 8 9.571 7.315 -7.095 1.00 10.00 C ATOM 235 C4' A A 8 11.065 7.283 -6.781 1.00 10.00 C ATOM 236 O4' A A 8 11.457 8.367 -5.952 1.00 10.00 O ATOM 237 C3' A A 8 11.513 5.995 -6.100 1.00 10.00 C ATOM 238 O3' A A 8 11.756 4.994 -7.067 1.00 10.00 O ATOM 239 C2' A A 8 12.817 6.472 -5.447 1.00 10.00 C ATOM 240 O2' A A 8 13.888 6.469 -6.382 1.00 10.00 O ATOM 241 C1' A A 8 12.445 7.897 -5.048 1.00 10.00 C ATOM 242 N9 A A 8 11.983 7.856 -3.647 1.00 10.00 N ATOM 243 C8 A A 8 10.721 7.756 -3.117 1.00 10.00 C ATOM 244 N7 A A 8 10.711 7.669 -1.810 1.00 10.00 N ATOM 245 C5 A A 8 12.066 7.678 -1.462 1.00 10.00 C ATOM 246 C6 A A 8 12.807 7.576 -0.258 1.00 10.00 C ATOM 247 N6 A A 8 12.287 7.429 0.946 1.00 10.00 N ATOM 248 N1 A A 8 14.144 7.573 -0.274 1.00 10.00 N ATOM 249 C2 A A 8 14.743 7.679 -1.453 1.00 10.00 C ATOM 250 N3 A A 8 14.198 7.761 -2.656 1.00 10.00 N ATOM 251 C4 A A 8 12.839 7.770 -2.584 1.00 10.00 C ATOM 0 H5' A A 8 9.334 8.228 -7.642 1.00 10.00 H new ATOM 0 H5'' A A 8 9.319 6.478 -7.746 1.00 10.00 H new ATOM 0 H4' A A 8 11.548 7.355 -7.756 1.00 10.00 H new ATOM 0 H3' A A 8 10.797 5.555 -5.406 1.00 10.00 H new ATOM 0 H2' A A 8 13.159 5.848 -4.621 1.00 10.00 H new ATOM 0 HO2' A A 8 13.716 5.796 -7.074 1.00 10.00 H new ATOM 0 H1' A A 8 13.285 8.589 -5.104 1.00 10.00 H new ATOM 0 H8 A A 8 9.824 7.750 -3.719 1.00 10.00 H new ATOM 0 H61 A A 8 12.897 7.364 1.761 1.00 10.00 H new ATOM 0 H62 A A 8 11.275 7.381 1.062 1.00 10.00 H new ATOM 0 H2 A A 8 15.822 7.701 -1.427 1.00 10.00 H new ATOM 263 P A A 9 11.751 3.473 -6.661 1.00 10.00 P ATOM 264 OP1 A A 9 12.331 2.743 -7.807 1.00 10.00 O ATOM 265 OP2 A A 9 10.435 3.108 -6.115 1.00 10.00 O ATOM 266 O5' A A 9 12.846 3.474 -5.514 1.00 10.00 O ATOM 267 C5' A A 9 12.730 2.636 -4.388 1.00 10.00 C ATOM 268 C4' A A 9 13.787 3.090 -3.382 1.00 10.00 C ATOM 269 O4' A A 9 13.449 4.292 -2.686 1.00 10.00 O ATOM 270 C3' A A 9 14.068 2.014 -2.345 1.00 10.00 C ATOM 271 O3' A A 9 15.101 1.132 -2.766 1.00 10.00 O ATOM 272 C2' A A 9 14.521 2.857 -1.159 1.00 10.00 C ATOM 273 O2' A A 9 15.919 3.112 -1.249 1.00 10.00 O ATOM 274 C1' A A 9 13.731 4.148 -1.298 1.00 10.00 C ATOM 275 N9 A A 9 12.484 4.028 -0.512 1.00 10.00 N ATOM 276 C8 A A 9 11.224 3.835 -0.991 1.00 10.00 C ATOM 277 N7 A A 9 10.311 3.694 -0.071 1.00 10.00 N ATOM 278 C5 A A 9 11.037 3.772 1.120 1.00 10.00 C ATOM 279 C6 A A 9 10.715 3.665 2.495 1.00 10.00 C ATOM 280 N6 A A 9 9.512 3.450 2.988 1.00 10.00 N ATOM 281 N1 A A 9 11.666 3.775 3.433 1.00 10.00 N ATOM 282 C2 A A 9 12.913 3.946 3.021 1.00 10.00 C ATOM 283 N3 A A 9 13.376 4.078 1.780 1.00 10.00 N ATOM 284 C4 A A 9 12.366 3.979 0.861 1.00 10.00 C ATOM 0 H5' A A 9 12.885 1.593 -4.666 1.00 10.00 H new ATOM 0 H5'' A A 9 11.732 2.706 -3.956 1.00 10.00 H new ATOM 0 H4' A A 9 14.671 3.285 -3.989 1.00 10.00 H new ATOM 0 H3' A A 9 13.217 1.364 -2.142 1.00 10.00 H new ATOM 0 H2' A A 9 14.352 2.368 -0.200 1.00 10.00 H new ATOM 0 HO2' A A 9 16.324 2.492 -1.890 1.00 10.00 H new ATOM 0 H1' A A 9 14.277 5.016 -0.929 1.00 10.00 H new ATOM 0 H8 A A 9 10.999 3.801 -2.047 1.00 10.00 H new ATOM 0 H61 A A 9 9.378 3.388 3.997 1.00 10.00 H new ATOM 0 H62 A A 9 8.715 3.346 2.360 1.00 10.00 H new ATOM 0 H2 A A 9 13.659 3.984 3.801 1.00 10.00 H new ATOM 296 P A A 10 15.040 -0.417 -2.387 1.00 10.00 P ATOM 297 OP1 A A 10 16.262 -1.064 -2.908 1.00 10.00 O ATOM 298 OP2 A A 10 13.700 -0.930 -2.717 1.00 10.00 O ATOM 299 O5' A A 10 15.176 -0.394 -0.806 1.00 10.00 O ATOM 300 C5' A A 10 16.419 -0.148 -0.183 1.00 10.00 C ATOM 301 C4' A A 10 16.251 -0.051 1.330 1.00 10.00 C ATOM 302 O4' A A 10 15.328 0.974 1.696 1.00 10.00 O ATOM 303 C3' A A 10 15.786 -1.358 1.973 1.00 10.00 C ATOM 304 O3' A A 10 16.885 -2.214 2.243 1.00 10.00 O ATOM 305 C2' A A 10 15.188 -0.799 3.266 1.00 10.00 C ATOM 306 O2' A A 10 16.213 -0.518 4.218 1.00 10.00 O ATOM 307 C1' A A 10 14.547 0.506 2.789 1.00 10.00 C ATOM 308 N9 A A 10 13.138 0.258 2.403 1.00 10.00 N ATOM 309 C8 A A 10 12.603 0.074 1.152 1.00 10.00 C ATOM 310 N7 A A 10 11.334 -0.216 1.156 1.00 10.00 N ATOM 311 C5 A A 10 10.992 -0.197 2.511 1.00 10.00 C ATOM 312 C6 A A 10 9.800 -0.410 3.246 1.00 10.00 C ATOM 313 N6 A A 10 8.639 -0.712 2.705 1.00 10.00 N ATOM 314 N1 A A 10 9.794 -0.349 4.583 1.00 10.00 N ATOM 315 C2 A A 10 10.940 -0.069 5.186 1.00 10.00 C ATOM 316 N3 A A 10 12.136 0.158 4.645 1.00 10.00 N ATOM 317 C4 A A 10 12.087 0.088 3.281 1.00 10.00 C ATOM 0 H5' A A 10 16.847 0.778 -0.567 1.00 10.00 H new ATOM 0 H5'' A A 10 17.118 -0.948 -0.426 1.00 10.00 H new ATOM 0 H4' A A 10 17.247 0.186 1.703 1.00 10.00 H new ATOM 0 H3' A A 10 15.110 -1.964 1.369 1.00 10.00 H new ATOM 0 H2' A A 10 14.497 -1.485 3.756 1.00 10.00 H new ATOM 0 HO2' A A 10 16.992 -1.085 4.037 1.00 10.00 H new ATOM 0 H1' A A 10 14.528 1.262 3.574 1.00 10.00 H new ATOM 0 H8 A A 10 13.183 0.162 0.245 1.00 10.00 H new ATOM 0 H61 A A 10 7.821 -0.852 3.298 1.00 10.00 H new ATOM 0 H62 A A 10 8.557 -0.807 1.693 1.00 10.00 H new ATOM 0 H2 A A 10 10.899 -0.018 6.264 1.00 10.00 H new ATOM 329 P U A 11 16.722 -3.794 2.304 1.00 10.00 P ATOM 330 OP1 U A 11 18.062 -4.354 2.597 1.00 10.00 O ATOM 331 OP2 U A 11 16.009 -4.209 1.083 1.00 10.00 O ATOM 332 O5' U A 11 15.779 -4.063 3.566 1.00 10.00 O ATOM 333 C5' U A 11 16.257 -3.908 4.892 1.00 10.00 C ATOM 334 C4' U A 11 15.106 -3.967 5.905 1.00 10.00 C ATOM 335 O4' U A 11 14.121 -2.985 5.606 1.00 10.00 O ATOM 336 C3' U A 11 14.397 -5.321 5.989 1.00 10.00 C ATOM 337 O3' U A 11 15.059 -6.194 6.888 1.00 10.00 O ATOM 338 C2' U A 11 13.053 -4.880 6.579 1.00 10.00 C ATOM 339 O2' U A 11 13.087 -4.771 7.999 1.00 10.00 O ATOM 340 C1' U A 11 12.847 -3.479 6.001 1.00 10.00 C ATOM 341 N1 U A 11 11.871 -3.535 4.884 1.00 10.00 N ATOM 342 C2 U A 11 10.513 -3.489 5.232 1.00 10.00 C ATOM 343 O2 U A 11 10.103 -3.242 6.368 1.00 10.00 O ATOM 344 N3 U A 11 9.608 -3.724 4.228 1.00 10.00 N ATOM 345 C4 U A 11 9.913 -3.902 2.912 1.00 10.00 C ATOM 346 O4 U A 11 8.995 -4.044 2.131 1.00 10.00 O ATOM 347 C5 U A 11 11.323 -3.892 2.604 1.00 10.00 C ATOM 348 C6 U A 11 12.260 -3.729 3.574 1.00 10.00 C ATOM 0 H5' U A 11 16.779 -2.955 4.985 1.00 10.00 H new ATOM 0 H5'' U A 11 16.982 -4.691 5.114 1.00 10.00 H new ATOM 0 H4' U A 11 15.584 -3.783 6.867 1.00 10.00 H new ATOM 0 H3' U A 11 14.345 -5.865 5.046 1.00 10.00 H new ATOM 0 H2' U A 11 12.270 -5.600 6.340 1.00 10.00 H new ATOM 0 HO2' U A 11 13.805 -5.336 8.353 1.00 10.00 H new ATOM 0 H1' U A 11 12.426 -2.794 6.737 1.00 10.00 H new ATOM 0 H3 U A 11 8.623 -3.769 4.489 1.00 10.00 H new ATOM 0 H5 U A 11 11.640 -4.017 1.579 1.00 10.00 H new ATOM 0 H6 U A 11 13.309 -3.751 3.320 1.00 10.00 H new ATOM 359 P G A 12 14.888 -7.775 6.832 1.00 10.00 P ATOM 360 OP1 G A 12 15.318 -8.265 8.161 1.00 10.00 O ATOM 361 OP2 G A 12 15.577 -8.257 5.621 1.00 10.00 O ATOM 362 O5' G A 12 13.327 -8.078 6.713 1.00 10.00 O ATOM 363 C5' G A 12 12.489 -8.146 7.852 1.00 10.00 C ATOM 364 C4' G A 12 11.011 -8.257 7.482 1.00 10.00 C ATOM 365 O4' G A 12 10.545 -7.157 6.718 1.00 10.00 O ATOM 366 C3' G A 12 10.673 -9.576 6.787 1.00 10.00 C ATOM 367 O3' G A 12 10.477 -10.533 7.827 1.00 10.00 O ATOM 368 C2' G A 12 9.426 -9.139 6.005 1.00 10.00 C ATOM 369 O2' G A 12 8.216 -9.253 6.749 1.00 10.00 O ATOM 370 C1' G A 12 9.711 -7.664 5.691 1.00 10.00 C ATOM 371 N9 G A 12 10.361 -7.487 4.368 1.00 10.00 N ATOM 372 C8 G A 12 11.685 -7.374 4.027 1.00 10.00 C ATOM 373 N7 G A 12 11.908 -7.199 2.757 1.00 10.00 N ATOM 374 C5 G A 12 10.622 -7.149 2.204 1.00 10.00 C ATOM 375 C6 G A 12 10.164 -6.931 0.854 1.00 10.00 C ATOM 376 O6 G A 12 10.826 -6.738 -0.161 1.00 10.00 O ATOM 377 N1 G A 12 8.791 -6.969 0.745 1.00 10.00 N ATOM 378 C2 G A 12 7.949 -7.163 1.787 1.00 10.00 C ATOM 379 N2 G A 12 6.676 -7.247 1.526 1.00 10.00 N ATOM 380 N3 G A 12 8.321 -7.371 3.053 1.00 10.00 N ATOM 381 C4 G A 12 9.677 -7.341 3.189 1.00 10.00 C ATOM 0 H5' G A 12 12.641 -7.258 8.465 1.00 10.00 H new ATOM 0 H5'' G A 12 12.774 -9.005 8.459 1.00 10.00 H new ATOM 0 H4' G A 12 10.481 -8.239 8.434 1.00 10.00 H new ATOM 0 H3' G A 12 11.394 -10.048 6.120 1.00 10.00 H new ATOM 0 H2' G A 12 9.269 -9.770 5.130 1.00 10.00 H new ATOM 0 HO2' G A 12 7.728 -10.052 6.459 1.00 10.00 H new ATOM 0 H1' G A 12 8.767 -7.121 5.648 1.00 10.00 H new ATOM 0 H8 G A 12 12.480 -7.426 4.756 1.00 10.00 H new ATOM 0 H1 G A 12 8.382 -6.843 -0.181 1.00 10.00 H new ATOM 0 H21 G A 12 6.009 -7.393 2.283 1.00 10.00 H new ATOM 0 H22 G A 12 6.346 -7.167 0.564 1.00 10.00 H new ATOM 393 P C A 13 10.837 -12.071 7.668 1.00 10.00 P ATOM 394 OP1 C A 13 10.674 -12.705 8.994 1.00 10.00 O ATOM 395 OP2 C A 13 12.127 -12.215 6.970 1.00 10.00 O ATOM 396 O5' C A 13 9.703 -12.642 6.728 1.00 10.00 O ATOM 397 C5' C A 13 8.382 -12.799 7.209 1.00 10.00 C ATOM 398 C4' C A 13 7.418 -12.913 6.034 1.00 10.00 C ATOM 399 O4' C A 13 7.490 -11.756 5.215 1.00 10.00 O ATOM 400 C3' C A 13 7.699 -14.133 5.160 1.00 10.00 C ATOM 401 O3' C A 13 7.110 -15.292 5.761 1.00 10.00 O ATOM 402 C2' C A 13 6.996 -13.670 3.877 1.00 10.00 C ATOM 403 O2' C A 13 5.602 -13.920 3.943 1.00 10.00 O ATOM 404 C1' C A 13 7.227 -12.151 3.870 1.00 10.00 C ATOM 405 N1 C A 13 8.332 -11.737 2.961 1.00 10.00 N ATOM 406 C2 C A 13 7.991 -11.418 1.633 1.00 10.00 C ATOM 407 O2 C A 13 6.861 -11.667 1.197 1.00 10.00 O ATOM 408 N3 C A 13 8.900 -10.845 0.817 1.00 10.00 N ATOM 409 C4 C A 13 10.100 -10.568 1.274 1.00 10.00 C ATOM 410 N4 C A 13 10.930 -9.977 0.479 1.00 10.00 N ATOM 411 C5 C A 13 10.506 -10.895 2.602 1.00 10.00 C ATOM 412 C6 C A 13 9.617 -11.516 3.403 1.00 10.00 C ATOM 0 H5' C A 13 8.109 -11.949 7.835 1.00 10.00 H new ATOM 0 H5'' C A 13 8.316 -13.689 7.834 1.00 10.00 H new ATOM 0 H4' C A 13 6.424 -13.017 6.468 1.00 10.00 H new ATOM 0 H3' C A 13 8.739 -14.421 5.006 1.00 10.00 H new ATOM 0 H2' C A 13 7.373 -14.184 2.993 1.00 10.00 H new ATOM 0 HO2' C A 13 5.414 -14.530 4.687 1.00 10.00 H new ATOM 0 H1' C A 13 6.337 -11.654 3.483 1.00 10.00 H new ATOM 0 H41 C A 13 11.870 -9.747 0.802 1.00 10.00 H new ATOM 0 H42 C A 13 10.645 -9.740 -0.471 1.00 10.00 H new ATOM 0 H5 C A 13 11.497 -10.652 2.956 1.00 10.00 H new ATOM 0 H6 C A 13 9.912 -11.840 4.390 1.00 10.00 H new ATOM 424 P C A 14 7.891 -16.675 5.930 1.00 10.00 P ATOM 425 OP1 C A 14 7.094 -17.553 6.810 1.00 10.00 O ATOM 426 OP2 C A 14 9.305 -16.423 6.267 1.00 10.00 O ATOM 427 O5' C A 14 7.797 -17.312 4.478 1.00 10.00 O ATOM 428 C5' C A 14 6.538 -17.789 4.012 1.00 10.00 C ATOM 429 C4' C A 14 6.419 -17.713 2.496 1.00 10.00 C ATOM 430 O4' C A 14 6.643 -16.371 2.098 1.00 10.00 O ATOM 431 C3' C A 14 7.422 -18.581 1.739 1.00 10.00 C ATOM 432 O3' C A 14 6.951 -19.883 1.452 1.00 10.00 O ATOM 433 C2' C A 14 7.515 -17.827 0.412 1.00 10.00 C ATOM 434 O2' C A 14 6.506 -18.225 -0.508 1.00 10.00 O ATOM 435 C1' C A 14 7.268 -16.373 0.827 1.00 10.00 C ATOM 436 N1 C A 14 8.565 -15.653 0.819 1.00 10.00 N ATOM 437 C2 C A 14 8.987 -15.119 -0.392 1.00 10.00 C ATOM 438 O2 C A 14 8.317 -15.282 -1.414 1.00 10.00 O ATOM 439 N3 C A 14 10.145 -14.438 -0.486 1.00 10.00 N ATOM 440 C4 C A 14 10.878 -14.294 0.596 1.00 10.00 C ATOM 441 N4 C A 14 11.971 -13.612 0.443 1.00 10.00 N ATOM 442 C5 C A 14 10.541 -14.871 1.850 1.00 10.00 C ATOM 443 C6 C A 14 9.370 -15.551 1.930 1.00 10.00 C ATOM 0 H5' C A 14 5.739 -17.204 4.467 1.00 10.00 H new ATOM 0 H5'' C A 14 6.401 -18.821 4.334 1.00 10.00 H new ATOM 0 H4' C A 14 5.422 -18.080 2.251 1.00 10.00 H new ATOM 0 H3' C A 14 8.341 -18.720 2.308 1.00 10.00 H new ATOM 0 H2' C A 14 8.466 -18.007 -0.090 1.00 10.00 H new ATOM 0 HO2' C A 14 6.149 -19.099 -0.244 1.00 10.00 H new ATOM 0 HO3' C A 14 7.641 -20.381 0.966 1.00 10.00 H new ATOM 0 H1' C A 14 6.604 -15.857 0.133 1.00 10.00 H new ATOM 0 H41 C A 14 12.592 -13.458 1.238 1.00 10.00 H new ATOM 0 H42 C A 14 12.210 -13.230 -0.472 1.00 10.00 H new ATOM 0 H5 C A 14 11.192 -14.772 2.706 1.00 10.00 H new ATOM 0 H6 C A 14 9.071 -16.010 2.861 1.00 10.00 H new TER 456 C A 14