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 -20:sc= 0.0191 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00235 USER MOD Single : A 2 G O2' : rot -22:sc= 0.0455 USER MOD Single : A 3 C O2' : rot 180:sc= 0 USER MOD Single : A 4 G O2' : rot 180:sc= -0.266 USER MOD Single : A 5 C O2' : rot -25:sc= 0.0774 USER MOD Single : A 6 A O2' : rot -17:sc= -0.354 USER MOD Single : A 7 U O2' : rot 15:sc= 0.0572 USER MOD Single : A 8 C O2' : rot 180:sc= -1.1 USER MOD Single : A 9 G O2' : rot 14:sc= 0.229 USER MOD Single : A 10 G O2' : rot 180:sc= -0.549 USER MOD Single : A 11 C O2' : rot -17:sc= 0.0404 USER MOD Single : A 12 G O2' : rot -19:sc= 0.0357 USER MOD Single : A 13 C O2' : rot 180:sc= -0.0745 USER MOD Single : A 14 C O2' : rot -19:sc= 0.11 USER MOD Single : A 14 C O3' : rot 180:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 7.121 -8.911 -9.372 1.00 0.00 O ATOM 2 C5' G A 1 8.190 -9.831 -9.265 1.00 0.00 C ATOM 3 C4' G A 1 9.213 -9.378 -8.221 1.00 0.00 C ATOM 4 O4' G A 1 9.887 -8.196 -8.625 1.00 0.00 O ATOM 5 C3' G A 1 8.593 -9.062 -6.863 1.00 0.00 C ATOM 6 O3' G A 1 8.296 -10.221 -6.106 1.00 0.00 O ATOM 7 C2' G A 1 9.728 -8.254 -6.262 1.00 0.00 C ATOM 8 O2' G A 1 10.815 -9.090 -5.895 1.00 0.00 O ATOM 9 C1' G A 1 10.163 -7.417 -7.467 1.00 0.00 C ATOM 10 N9 G A 1 9.385 -6.160 -7.505 1.00 0.00 N ATOM 11 C8 G A 1 8.285 -5.850 -8.261 1.00 0.00 C ATOM 12 N7 G A 1 7.825 -4.645 -8.055 1.00 0.00 N ATOM 13 C5 G A 1 8.687 -4.115 -7.097 1.00 0.00 C ATOM 14 C6 G A 1 8.695 -2.832 -6.469 1.00 0.00 C ATOM 15 O6 G A 1 7.933 -1.884 -6.640 1.00 0.00 O ATOM 16 N1 G A 1 9.730 -2.712 -5.553 1.00 0.00 N ATOM 17 C2 G A 1 10.638 -3.701 -5.258 1.00 0.00 C ATOM 18 N2 G A 1 11.552 -3.420 -4.332 1.00 0.00 N ATOM 19 N3 G A 1 10.638 -4.902 -5.843 1.00 0.00 N ATOM 20 C4 G A 1 9.642 -5.038 -6.753 1.00 0.00 C ATOM 0 H5' G A 1 8.679 -9.938 -10.233 1.00 0.00 H new ATOM 0 H5'' G A 1 7.802 -10.813 -8.994 1.00 0.00 H new ATOM 0 H4' G A 1 9.895 -10.224 -8.134 1.00 0.00 H new ATOM 0 H3' G A 1 7.627 -8.558 -6.905 1.00 0.00 H new ATOM 0 H2' G A 1 9.437 -7.700 -5.370 1.00 0.00 H new ATOM 0 HO2' G A 1 10.501 -10.014 -5.807 1.00 0.00 H new ATOM 0 HO5' G A 1 6.485 -9.226 -10.047 1.00 0.00 H new ATOM 0 H1' G A 1 11.221 -7.160 -7.412 1.00 0.00 H new ATOM 0 H8 G A 1 7.839 -6.539 -8.963 1.00 0.00 H new ATOM 0 H1 G A 1 9.824 -1.823 -5.062 1.00 0.00 H new ATOM 0 H21 G A 1 12.249 -4.119 -4.075 1.00 0.00 H new ATOM 0 H22 G A 1 11.555 -2.506 -3.879 1.00 0.00 H new ATOM 33 P G A 2 7.209 -10.153 -4.919 1.00 0.00 P ATOM 34 OP1 G A 2 6.004 -9.484 -5.461 1.00 0.00 O ATOM 35 OP2 G A 2 7.081 -11.507 -4.329 1.00 0.00 O ATOM 36 O5' G A 2 7.854 -9.175 -3.817 1.00 0.00 O ATOM 37 C5' G A 2 8.967 -9.590 -3.048 1.00 0.00 C ATOM 38 C4' G A 2 9.377 -8.509 -2.049 1.00 0.00 C ATOM 39 O4' G A 2 9.823 -7.327 -2.698 1.00 0.00 O ATOM 40 C3' G A 2 8.236 -8.080 -1.141 1.00 0.00 C ATOM 41 O3' G A 2 7.935 -9.009 -0.118 1.00 0.00 O ATOM 42 C2' G A 2 8.802 -6.769 -0.622 1.00 0.00 C ATOM 43 O2' G A 2 9.794 -6.998 0.367 1.00 0.00 O ATOM 44 C1' G A 2 9.493 -6.218 -1.869 1.00 0.00 C ATOM 45 N9 G A 2 8.590 -5.289 -2.586 1.00 0.00 N ATOM 46 C8 G A 2 7.708 -5.546 -3.608 1.00 0.00 C ATOM 47 N7 G A 2 7.048 -4.496 -4.013 1.00 0.00 N ATOM 48 C5 G A 2 7.521 -3.467 -3.198 1.00 0.00 C ATOM 49 C6 G A 2 7.172 -2.085 -3.160 1.00 0.00 C ATOM 50 O6 G A 2 6.360 -1.478 -3.856 1.00 0.00 O ATOM 51 N1 G A 2 7.882 -1.395 -2.185 1.00 0.00 N ATOM 52 C2 G A 2 8.816 -1.961 -1.351 1.00 0.00 C ATOM 53 N2 G A 2 9.399 -1.163 -0.458 1.00 0.00 N ATOM 54 N3 G A 2 9.159 -3.251 -1.387 1.00 0.00 N ATOM 55 C4 G A 2 8.474 -3.943 -2.333 1.00 0.00 C ATOM 0 H5' G A 2 9.805 -9.817 -3.707 1.00 0.00 H new ATOM 0 H5'' G A 2 8.723 -10.509 -2.515 1.00 0.00 H new ATOM 0 H4' G A 2 10.175 -8.970 -1.468 1.00 0.00 H new ATOM 0 H3' G A 2 7.269 -7.999 -1.638 1.00 0.00 H new ATOM 0 H2' G A 2 8.046 -6.124 -0.174 1.00 0.00 H new ATOM 0 HO2' G A 2 9.667 -7.888 0.758 1.00 0.00 H new ATOM 0 H1' G A 2 10.391 -5.664 -1.598 1.00 0.00 H new ATOM 0 H8 G A 2 7.573 -6.528 -4.037 1.00 0.00 H new ATOM 0 H1 G A 2 7.697 -0.397 -2.081 1.00 0.00 H new ATOM 0 H21 G A 2 10.098 -1.539 0.182 1.00 0.00 H new ATOM 0 H22 G A 2 9.146 -0.176 -0.414 1.00 0.00 H new ATOM 67 P C A 3 6.478 -9.038 0.556 1.00 0.00 P ATOM 68 OP1 C A 3 5.465 -8.958 -0.525 1.00 0.00 O ATOM 69 OP2 C A 3 6.433 -10.179 1.502 1.00 0.00 O ATOM 70 O5' C A 3 6.415 -7.668 1.408 1.00 0.00 O ATOM 71 C5' C A 3 7.171 -7.514 2.589 1.00 0.00 C ATOM 72 C4' C A 3 6.914 -6.142 3.212 1.00 0.00 C ATOM 73 O4' C A 3 7.422 -5.087 2.409 1.00 0.00 O ATOM 74 C3' C A 3 5.436 -5.817 3.409 1.00 0.00 C ATOM 75 O3' C A 3 4.822 -6.525 4.469 1.00 0.00 O ATOM 76 C2' C A 3 5.563 -4.316 3.679 1.00 0.00 C ATOM 77 O2' C A 3 6.087 -4.073 4.972 1.00 0.00 O ATOM 78 C1' C A 3 6.621 -3.933 2.637 1.00 0.00 C ATOM 79 N1 C A 3 5.957 -3.496 1.391 1.00 0.00 N ATOM 80 C2 C A 3 5.581 -2.163 1.307 1.00 0.00 C ATOM 81 O2 C A 3 5.816 -1.389 2.234 1.00 0.00 O ATOM 82 N3 C A 3 4.952 -1.722 0.189 1.00 0.00 N ATOM 83 C4 C A 3 4.700 -2.571 -0.806 1.00 0.00 C ATOM 84 N4 C A 3 4.057 -2.115 -1.880 1.00 0.00 N ATOM 85 C5 C A 3 5.090 -3.943 -0.745 1.00 0.00 C ATOM 86 C6 C A 3 5.719 -4.373 0.370 1.00 0.00 C ATOM 0 H5' C A 3 8.232 -7.626 2.366 1.00 0.00 H new ATOM 0 H5'' C A 3 6.910 -8.298 3.300 1.00 0.00 H new ATOM 0 H4' C A 3 7.419 -6.209 4.176 1.00 0.00 H new ATOM 0 H3' C A 3 4.790 -6.097 2.576 1.00 0.00 H new ATOM 0 H2' C A 3 4.618 -3.775 3.624 1.00 0.00 H new ATOM 0 HO2' C A 3 6.160 -3.107 5.119 1.00 0.00 H new ATOM 0 H1' C A 3 7.242 -3.108 2.986 1.00 0.00 H new ATOM 0 H41 C A 3 3.851 -2.744 -2.656 1.00 0.00 H new ATOM 0 H42 C A 3 3.770 -1.137 -1.926 1.00 0.00 H new ATOM 0 H5 C A 3 4.888 -4.616 -1.565 1.00 0.00 H new ATOM 0 H6 C A 3 6.032 -5.403 0.454 1.00 0.00 H new ATOM 98 P G A 4 3.219 -6.678 4.540 1.00 0.00 P ATOM 99 OP1 G A 4 2.733 -7.097 3.207 1.00 0.00 O ATOM 100 OP2 G A 4 2.882 -7.504 5.728 1.00 0.00 O ATOM 101 O5' G A 4 2.689 -5.188 4.807 1.00 0.00 O ATOM 102 C5' G A 4 2.904 -4.570 6.055 1.00 0.00 C ATOM 103 C4' G A 4 2.436 -3.117 6.010 1.00 0.00 C ATOM 104 O4' G A 4 3.116 -2.387 5.004 1.00 0.00 O ATOM 105 C3' G A 4 0.952 -2.954 5.702 1.00 0.00 C ATOM 106 O3' G A 4 0.118 -3.210 6.816 1.00 0.00 O ATOM 107 C2' G A 4 0.954 -1.477 5.318 1.00 0.00 C ATOM 108 O2' G A 4 1.099 -0.647 6.454 1.00 0.00 O ATOM 109 C1' G A 4 2.240 -1.389 4.499 1.00 0.00 C ATOM 110 N9 G A 4 1.930 -1.639 3.078 1.00 0.00 N ATOM 111 C8 G A 4 2.054 -2.790 2.341 1.00 0.00 C ATOM 112 N7 G A 4 1.646 -2.673 1.106 1.00 0.00 N ATOM 113 C5 G A 4 1.246 -1.345 1.002 1.00 0.00 C ATOM 114 C6 G A 4 0.704 -0.636 -0.114 1.00 0.00 C ATOM 115 O6 G A 4 0.480 -1.055 -1.247 1.00 0.00 O ATOM 116 N1 G A 4 0.416 0.681 0.203 1.00 0.00 N ATOM 117 C2 G A 4 0.635 1.251 1.435 1.00 0.00 C ATOM 118 N2 G A 4 0.303 2.535 1.573 1.00 0.00 N ATOM 119 N3 G A 4 1.150 0.597 2.482 1.00 0.00 N ATOM 120 C4 G A 4 1.429 -0.701 2.202 1.00 0.00 C ATOM 0 H5' G A 4 3.962 -4.611 6.312 1.00 0.00 H new ATOM 0 H5'' G A 4 2.365 -5.109 6.834 1.00 0.00 H new ATOM 0 H4' G A 4 2.648 -2.743 7.012 1.00 0.00 H new ATOM 0 H3' G A 4 0.561 -3.644 4.954 1.00 0.00 H new ATOM 0 H2' G A 4 0.039 -1.163 4.815 1.00 0.00 H new ATOM 0 HO2' G A 4 1.098 0.292 6.175 1.00 0.00 H new ATOM 0 H1' G A 4 2.701 -0.404 4.574 1.00 0.00 H new ATOM 0 H8 G A 4 2.453 -3.709 2.745 1.00 0.00 H new ATOM 0 H1 G A 4 0.014 1.268 -0.527 1.00 0.00 H new ATOM 0 H21 G A 4 0.445 3.005 2.467 1.00 0.00 H new ATOM 0 H22 G A 4 -0.093 3.047 0.785 1.00 0.00 H new ATOM 132 P C A 5 -1.453 -3.510 6.627 1.00 0.00 P ATOM 133 OP1 C A 5 -2.043 -3.758 7.967 1.00 0.00 O ATOM 134 OP2 C A 5 -1.603 -4.529 5.562 1.00 0.00 O ATOM 135 O5' C A 5 -2.059 -2.125 6.064 1.00 0.00 O ATOM 136 C5' C A 5 -2.126 -0.982 6.894 1.00 0.00 C ATOM 137 C4' C A 5 -2.633 0.234 6.106 1.00 0.00 C ATOM 138 O4' C A 5 -1.810 0.557 4.995 1.00 0.00 O ATOM 139 C3' C A 5 -4.030 0.031 5.531 1.00 0.00 C ATOM 140 O3' C A 5 -5.075 0.178 6.475 1.00 0.00 O ATOM 141 C2' C A 5 -4.043 1.119 4.481 1.00 0.00 C ATOM 142 O2' C A 5 -4.215 2.387 5.084 1.00 0.00 O ATOM 143 C1' C A 5 -2.622 1.046 3.939 1.00 0.00 C ATOM 144 N1 C A 5 -2.584 0.152 2.757 1.00 0.00 N ATOM 145 C2 C A 5 -2.994 0.689 1.540 1.00 0.00 C ATOM 146 O2 C A 5 -3.376 1.855 1.466 1.00 0.00 O ATOM 147 N3 C A 5 -2.966 -0.095 0.432 1.00 0.00 N ATOM 148 C4 C A 5 -2.563 -1.358 0.528 1.00 0.00 C ATOM 149 N4 C A 5 -2.566 -2.086 -0.580 1.00 0.00 N ATOM 150 C5 C A 5 -2.139 -1.933 1.766 1.00 0.00 C ATOM 151 C6 C A 5 -2.163 -1.145 2.866 1.00 0.00 C ATOM 0 H5' C A 5 -1.140 -0.768 7.307 1.00 0.00 H new ATOM 0 H5'' C A 5 -2.789 -1.177 7.737 1.00 0.00 H new ATOM 0 H4' C A 5 -2.625 1.034 6.847 1.00 0.00 H new ATOM 0 H3' C A 5 -4.209 -0.979 5.162 1.00 0.00 H new ATOM 0 H2' C A 5 -4.835 0.995 3.743 1.00 0.00 H new ATOM 0 HO2' C A 5 -4.671 2.281 5.945 1.00 0.00 H new ATOM 0 H1' C A 5 -2.259 2.020 3.611 1.00 0.00 H new ATOM 0 H41 C A 5 -2.264 -3.060 -0.551 1.00 0.00 H new ATOM 0 H42 C A 5 -2.870 -1.672 -1.461 1.00 0.00 H new ATOM 0 H5 C A 5 -1.811 -2.960 1.822 1.00 0.00 H new ATOM 0 H6 C A 5 -1.852 -1.537 3.823 1.00 0.00 H new ATOM 163 P A A 6 -6.527 -0.469 6.226 1.00 0.00 P ATOM 164 OP1 A A 6 -6.346 -1.906 5.936 1.00 0.00 O ATOM 165 OP2 A A 6 -7.419 -0.050 7.328 1.00 0.00 O ATOM 166 O5' A A 6 -7.039 0.228 4.864 1.00 0.00 O ATOM 167 C5' A A 6 -7.512 1.564 4.847 1.00 0.00 C ATOM 168 C4' A A 6 -7.874 1.961 3.419 1.00 0.00 C ATOM 169 O4' A A 6 -6.779 1.728 2.546 1.00 0.00 O ATOM 170 C3' A A 6 -9.045 1.140 2.881 1.00 0.00 C ATOM 171 O3' A A 6 -10.300 1.701 3.200 1.00 0.00 O ATOM 172 C2' A A 6 -8.767 1.179 1.380 1.00 0.00 C ATOM 173 O2' A A 6 -9.205 2.413 0.858 1.00 0.00 O ATOM 174 C1' A A 6 -7.247 1.207 1.305 1.00 0.00 C ATOM 175 N9 A A 6 -6.709 -0.144 1.060 1.00 0.00 N ATOM 176 C8 A A 6 -6.187 -1.058 1.947 1.00 0.00 C ATOM 177 N7 A A 6 -5.813 -2.176 1.391 1.00 0.00 N ATOM 178 C5 A A 6 -6.098 -1.990 0.041 1.00 0.00 C ATOM 179 C6 A A 6 -5.928 -2.788 -1.106 1.00 0.00 C ATOM 180 N6 A A 6 -5.412 -4.019 -1.077 1.00 0.00 N ATOM 181 N1 A A 6 -6.306 -2.293 -2.292 1.00 0.00 N ATOM 182 C2 A A 6 -6.818 -1.071 -2.347 1.00 0.00 C ATOM 183 N3 A A 6 -7.033 -0.218 -1.355 1.00 0.00 N ATOM 184 C4 A A 6 -6.640 -0.751 -0.170 1.00 0.00 C ATOM 0 H5' A A 6 -6.748 2.236 5.239 1.00 0.00 H new ATOM 0 H5'' A A 6 -8.384 1.660 5.494 1.00 0.00 H new ATOM 0 H4' A A 6 -8.140 3.017 3.453 1.00 0.00 H new ATOM 0 H3' A A 6 -9.107 0.137 3.304 1.00 0.00 H new ATOM 0 H2' A A 6 -9.246 0.357 0.847 1.00 0.00 H new ATOM 0 HO2' A A 6 -9.812 2.841 1.497 1.00 0.00 H new ATOM 0 H1' A A 6 -6.912 1.832 0.477 1.00 0.00 H new ATOM 0 H8 A A 6 -6.096 -0.866 3.006 1.00 0.00 H new ATOM 0 H61 A A 6 -5.313 -4.551 -1.942 1.00 0.00 H new ATOM 0 H62 A A 6 -5.117 -4.428 -0.190 1.00 0.00 H new ATOM 0 H2 A A 6 -7.097 -0.724 -3.331 1.00 0.00 H new ATOM 196 P U A 7 -11.649 0.819 3.188 1.00 0.00 P ATOM 197 OP1 U A 7 -11.440 -0.323 4.109 1.00 0.00 O ATOM 198 OP2 U A 7 -12.790 1.736 3.417 1.00 0.00 O ATOM 199 O5' U A 7 -11.773 0.237 1.689 1.00 0.00 O ATOM 200 C5' U A 7 -12.155 1.055 0.600 1.00 0.00 C ATOM 201 C4' U A 7 -12.183 0.254 -0.702 1.00 0.00 C ATOM 202 O4' U A 7 -10.952 -0.438 -0.846 1.00 0.00 O ATOM 203 C3' U A 7 -13.311 -0.781 -0.674 1.00 0.00 C ATOM 204 O3' U A 7 -13.928 -0.948 -1.945 1.00 0.00 O ATOM 205 C2' U A 7 -12.569 -2.023 -0.211 1.00 0.00 C ATOM 206 O2' U A 7 -13.224 -3.234 -0.551 1.00 0.00 O ATOM 207 C1' U A 7 -11.232 -1.828 -0.917 1.00 0.00 C ATOM 208 N1 U A 7 -10.197 -2.665 -0.268 1.00 0.00 N ATOM 209 C2 U A 7 -9.616 -3.682 -1.014 1.00 0.00 C ATOM 210 O2 U A 7 -9.912 -3.893 -2.190 1.00 0.00 O ATOM 211 N3 U A 7 -8.671 -4.448 -0.345 1.00 0.00 N ATOM 212 C4 U A 7 -8.283 -4.282 0.965 1.00 0.00 C ATOM 213 O4 U A 7 -7.453 -5.041 1.477 1.00 0.00 O ATOM 214 C5 U A 7 -8.907 -3.181 1.661 1.00 0.00 C ATOM 215 C6 U A 7 -9.837 -2.418 1.039 1.00 0.00 C ATOM 0 H5' U A 7 -11.458 1.888 0.504 1.00 0.00 H new ATOM 0 H5'' U A 7 -13.139 1.483 0.789 1.00 0.00 H new ATOM 0 H4' U A 7 -12.343 0.944 -1.531 1.00 0.00 H new ATOM 0 H3' U A 7 -14.148 -0.507 -0.032 1.00 0.00 H new ATOM 0 H2' U A 7 -12.490 -2.121 0.872 1.00 0.00 H new ATOM 0 HO2' U A 7 -13.912 -3.056 -1.226 1.00 0.00 H new ATOM 0 H1' U A 7 -11.253 -2.142 -1.961 1.00 0.00 H new ATOM 0 H3 U A 7 -8.225 -5.200 -0.871 1.00 0.00 H new ATOM 0 H5 U A 7 -8.631 -2.965 2.682 1.00 0.00 H new ATOM 0 H6 U A 7 -10.303 -1.604 1.575 1.00 0.00 H new ATOM 226 P C A 8 -14.767 0.252 -2.619 1.00 0.00 P ATOM 227 OP1 C A 8 -14.967 1.305 -1.598 1.00 0.00 O ATOM 228 OP2 C A 8 -15.938 -0.332 -3.305 1.00 0.00 O ATOM 229 O5' C A 8 -13.765 0.821 -3.741 1.00 0.00 O ATOM 230 C5' C A 8 -13.852 0.379 -5.078 1.00 0.00 C ATOM 231 C4' C A 8 -12.830 1.107 -5.950 1.00 0.00 C ATOM 232 O4' C A 8 -13.042 2.516 -5.882 1.00 0.00 O ATOM 233 C3' C A 8 -11.409 0.835 -5.479 1.00 0.00 C ATOM 234 O3' C A 8 -10.852 -0.356 -6.015 1.00 0.00 O ATOM 235 C2' C A 8 -10.760 2.147 -5.933 1.00 0.00 C ATOM 236 O2' C A 8 -10.528 2.220 -7.325 1.00 0.00 O ATOM 237 C1' C A 8 -11.818 3.168 -5.554 1.00 0.00 C ATOM 238 N1 C A 8 -11.804 3.552 -4.116 1.00 0.00 N ATOM 239 C2 C A 8 -12.684 4.555 -3.728 1.00 0.00 C ATOM 240 O2 C A 8 -13.417 5.099 -4.549 1.00 0.00 O ATOM 241 N3 C A 8 -12.729 4.934 -2.427 1.00 0.00 N ATOM 242 C4 C A 8 -11.911 4.373 -1.535 1.00 0.00 C ATOM 243 N4 C A 8 -11.962 4.770 -0.271 1.00 0.00 N ATOM 244 C5 C A 8 -10.985 3.350 -1.917 1.00 0.00 C ATOM 245 C6 C A 8 -10.961 2.962 -3.209 1.00 0.00 C ATOM 0 H5' C A 8 -14.857 0.556 -5.461 1.00 0.00 H new ATOM 0 H5'' C A 8 -13.678 -0.696 -5.124 1.00 0.00 H new ATOM 0 H4' C A 8 -12.958 0.742 -6.969 1.00 0.00 H new ATOM 0 H3' C A 8 -11.281 0.623 -4.417 1.00 0.00 H new ATOM 0 H2' C A 8 -9.777 2.283 -5.482 1.00 0.00 H new ATOM 0 HO2' C A 8 -10.115 3.082 -7.543 1.00 0.00 H new ATOM 0 H1' C A 8 -11.653 4.109 -6.079 1.00 0.00 H new ATOM 0 H41 C A 8 -11.342 4.349 0.421 1.00 0.00 H new ATOM 0 H42 C A 8 -12.621 5.496 0.009 1.00 0.00 H new ATOM 0 H5 C A 8 -10.324 2.901 -1.191 1.00 0.00 H new ATOM 0 H6 C A 8 -10.279 2.188 -3.529 1.00 0.00 H new ATOM 257 P G A 9 -9.423 -0.893 -5.505 1.00 0.00 P ATOM 258 OP1 G A 9 -9.595 -2.276 -5.009 1.00 0.00 O ATOM 259 OP2 G A 9 -8.829 0.138 -4.627 1.00 0.00 O ATOM 260 O5' G A 9 -8.563 -0.965 -6.857 1.00 0.00 O ATOM 261 C5' G A 9 -8.534 0.158 -7.704 1.00 0.00 C ATOM 262 C4' G A 9 -7.562 -0.025 -8.869 1.00 0.00 C ATOM 263 O4' G A 9 -8.132 -0.883 -9.845 1.00 0.00 O ATOM 264 C3' G A 9 -7.439 1.305 -9.602 1.00 0.00 C ATOM 265 O3' G A 9 -6.379 1.309 -10.532 1.00 0.00 O ATOM 266 C2' G A 9 -8.772 1.345 -10.331 1.00 0.00 C ATOM 267 O2' G A 9 -8.680 2.080 -11.534 1.00 0.00 O ATOM 268 C1' G A 9 -9.080 -0.133 -10.587 1.00 0.00 C ATOM 269 N9 G A 9 -10.474 -0.474 -10.215 1.00 0.00 N ATOM 270 C8 G A 9 -11.562 0.356 -10.137 1.00 0.00 C ATOM 271 N7 G A 9 -12.659 -0.252 -9.785 1.00 0.00 N ATOM 272 C5 G A 9 -12.273 -1.579 -9.617 1.00 0.00 C ATOM 273 C6 G A 9 -13.049 -2.715 -9.251 1.00 0.00 C ATOM 274 O6 G A 9 -14.254 -2.782 -8.992 1.00 0.00 O ATOM 275 N1 G A 9 -12.279 -3.868 -9.196 1.00 0.00 N ATOM 276 C2 G A 9 -10.939 -3.928 -9.481 1.00 0.00 C ATOM 277 N2 G A 9 -10.351 -5.116 -9.378 1.00 0.00 N ATOM 278 N3 G A 9 -10.212 -2.873 -9.851 1.00 0.00 N ATOM 279 C4 G A 9 -10.937 -1.727 -9.882 1.00 0.00 C ATOM 0 H5' G A 9 -8.248 1.038 -7.128 1.00 0.00 H new ATOM 0 H5'' G A 9 -9.535 0.344 -8.093 1.00 0.00 H new ATOM 0 H4' G A 9 -6.622 -0.406 -8.470 1.00 0.00 H new ATOM 0 H3' G A 9 -7.233 2.149 -8.944 1.00 0.00 H new ATOM 0 H2' G A 9 -9.556 1.843 -9.761 1.00 0.00 H new ATOM 0 HO2' G A 9 -7.737 2.217 -11.763 1.00 0.00 H new ATOM 0 H1' G A 9 -9.000 -0.366 -11.649 1.00 0.00 H new ATOM 0 H8 G A 9 -11.514 1.414 -10.348 1.00 0.00 H new ATOM 0 H1 G A 9 -12.744 -4.734 -8.924 1.00 0.00 H new ATOM 0 H21 G A 9 -9.356 -5.212 -9.580 1.00 0.00 H new ATOM 0 H22 G A 9 -10.895 -5.932 -9.097 1.00 0.00 H new ATOM 291 P G A 10 -4.854 1.415 -10.050 1.00 0.00 P ATOM 292 OP1 G A 10 -4.461 0.149 -9.385 1.00 0.00 O ATOM 293 OP2 G A 10 -4.047 1.922 -11.185 1.00 0.00 O ATOM 294 O5' G A 10 -4.933 2.564 -8.917 1.00 0.00 O ATOM 295 C5' G A 10 -5.426 3.850 -9.228 1.00 0.00 C ATOM 296 C4' G A 10 -5.624 4.691 -7.971 1.00 0.00 C ATOM 297 O4' G A 10 -6.484 4.038 -7.038 1.00 0.00 O ATOM 298 C3' G A 10 -4.286 4.936 -7.264 1.00 0.00 C ATOM 299 O3' G A 10 -3.616 6.074 -7.788 1.00 0.00 O ATOM 300 C2' G A 10 -4.788 5.159 -5.845 1.00 0.00 C ATOM 301 O2' G A 10 -5.308 6.464 -5.633 1.00 0.00 O ATOM 302 C1' G A 10 -5.914 4.135 -5.743 1.00 0.00 C ATOM 303 N9 G A 10 -5.387 2.827 -5.309 1.00 0.00 N ATOM 304 C8 G A 10 -5.195 1.697 -6.065 1.00 0.00 C ATOM 305 N7 G A 10 -4.672 0.700 -5.404 1.00 0.00 N ATOM 306 C5 G A 10 -4.520 1.192 -4.113 1.00 0.00 C ATOM 307 C6 G A 10 -3.978 0.574 -2.952 1.00 0.00 C ATOM 308 O6 G A 10 -3.509 -0.557 -2.832 1.00 0.00 O ATOM 309 N1 G A 10 -4.012 1.416 -1.849 1.00 0.00 N ATOM 310 C2 G A 10 -4.507 2.699 -1.863 1.00 0.00 C ATOM 311 N2 G A 10 -4.486 3.351 -0.701 1.00 0.00 N ATOM 312 N3 G A 10 -4.994 3.296 -2.953 1.00 0.00 N ATOM 313 C4 G A 10 -4.976 2.485 -4.042 1.00 0.00 C ATOM 0 H5' G A 10 -6.373 3.759 -9.759 1.00 0.00 H new ATOM 0 H5'' G A 10 -4.731 4.355 -9.899 1.00 0.00 H new ATOM 0 H4' G A 10 -6.068 5.633 -8.294 1.00 0.00 H new ATOM 0 H3' G A 10 -3.548 4.141 -7.368 1.00 0.00 H new ATOM 0 H2' G A 10 -3.992 5.055 -5.108 1.00 0.00 H new ATOM 0 HO2' G A 10 -5.615 6.547 -4.706 1.00 0.00 H new ATOM 0 H1' G A 10 -6.658 4.439 -5.007 1.00 0.00 H new ATOM 0 H8 G A 10 -5.453 1.638 -7.112 1.00 0.00 H new ATOM 0 H1 G A 10 -3.644 1.058 -0.967 1.00 0.00 H new ATOM 0 H21 G A 10 -4.839 4.306 -0.646 1.00 0.00 H new ATOM 0 H22 G A 10 -4.117 2.895 0.133 1.00 0.00 H new ATOM 325 P C A 11 -2.029 6.300 -7.575 1.00 0.00 P ATOM 326 OP1 C A 11 -1.644 7.548 -8.278 1.00 0.00 O ATOM 327 OP2 C A 11 -1.346 5.027 -7.904 1.00 0.00 O ATOM 328 O5' C A 11 -1.879 6.540 -5.998 1.00 0.00 O ATOM 329 C5' C A 11 -2.380 7.704 -5.370 1.00 0.00 C ATOM 330 C4' C A 11 -2.204 7.574 -3.860 1.00 0.00 C ATOM 331 O4' C A 11 -2.846 6.417 -3.357 1.00 0.00 O ATOM 332 C3' C A 11 -0.747 7.432 -3.448 1.00 0.00 C ATOM 333 O3' C A 11 -0.055 8.664 -3.460 1.00 0.00 O ATOM 334 C2' C A 11 -0.899 6.829 -2.056 1.00 0.00 C ATOM 335 O2' C A 11 -1.317 7.814 -1.128 1.00 0.00 O ATOM 336 C1' C A 11 -2.073 5.881 -2.287 1.00 0.00 C ATOM 337 N1 C A 11 -1.565 4.521 -2.617 1.00 0.00 N ATOM 338 C2 C A 11 -1.108 3.728 -1.575 1.00 0.00 C ATOM 339 O2 C A 11 -1.114 4.140 -0.416 1.00 0.00 O ATOM 340 N3 C A 11 -0.653 2.479 -1.849 1.00 0.00 N ATOM 341 C4 C A 11 -0.638 2.028 -3.099 1.00 0.00 C ATOM 342 N4 C A 11 -0.187 0.799 -3.319 1.00 0.00 N ATOM 343 C5 C A 11 -1.090 2.823 -4.195 1.00 0.00 C ATOM 344 C6 C A 11 -1.548 4.059 -3.902 1.00 0.00 C ATOM 0 H5' C A 11 -3.433 7.839 -5.615 1.00 0.00 H new ATOM 0 H5'' C A 11 -1.852 8.585 -5.735 1.00 0.00 H new ATOM 0 H4' C A 11 -2.636 8.490 -3.457 1.00 0.00 H new ATOM 0 H3' C A 11 -0.142 6.826 -4.122 1.00 0.00 H new ATOM 0 H2' C A 11 0.017 6.383 -1.668 1.00 0.00 H new ATOM 0 HO2' C A 11 -1.156 8.705 -1.502 1.00 0.00 H new ATOM 0 H1' C A 11 -2.691 5.790 -1.393 1.00 0.00 H new ATOM 0 H41 C A 11 -0.164 0.427 -4.268 1.00 0.00 H new ATOM 0 H42 C A 11 0.136 0.227 -2.539 1.00 0.00 H new ATOM 0 H5 C A 11 -1.067 2.454 -5.210 1.00 0.00 H new ATOM 0 H6 C A 11 -1.907 4.694 -4.698 1.00 0.00 H new ATOM 356 P G A 12 1.534 8.700 -3.685 1.00 0.00 P ATOM 357 OP1 G A 12 1.940 10.117 -3.827 1.00 0.00 O ATOM 358 OP2 G A 12 1.861 7.736 -4.757 1.00 0.00 O ATOM 359 O5' G A 12 2.154 8.142 -2.306 1.00 0.00 O ATOM 360 C5' G A 12 2.106 8.906 -1.120 1.00 0.00 C ATOM 361 C4' G A 12 2.958 8.247 -0.037 1.00 0.00 C ATOM 362 O4' G A 12 2.386 7.045 0.434 1.00 0.00 O ATOM 363 C3' G A 12 4.347 7.883 -0.556 1.00 0.00 C ATOM 364 O3' G A 12 5.234 8.979 -0.590 1.00 0.00 O ATOM 365 C2' G A 12 4.755 6.851 0.491 1.00 0.00 C ATOM 366 O2' G A 12 5.131 7.474 1.709 1.00 0.00 O ATOM 367 C1' G A 12 3.430 6.124 0.721 1.00 0.00 C ATOM 368 N9 G A 12 3.302 4.950 -0.169 1.00 0.00 N ATOM 369 C8 G A 12 2.848 4.891 -1.460 1.00 0.00 C ATOM 370 N7 G A 12 2.816 3.683 -1.959 1.00 0.00 N ATOM 371 C5 G A 12 3.317 2.884 -0.932 1.00 0.00 C ATOM 372 C6 G A 12 3.544 1.474 -0.887 1.00 0.00 C ATOM 373 O6 G A 12 3.315 0.623 -1.743 1.00 0.00 O ATOM 374 N1 G A 12 4.102 1.085 0.319 1.00 0.00 N ATOM 375 C2 G A 12 4.401 1.928 1.362 1.00 0.00 C ATOM 376 N2 G A 12 4.944 1.372 2.443 1.00 0.00 N ATOM 377 N3 G A 12 4.176 3.245 1.332 1.00 0.00 N ATOM 378 C4 G A 12 3.635 3.656 0.158 1.00 0.00 C ATOM 0 H5' G A 12 1.075 8.996 -0.778 1.00 0.00 H new ATOM 0 H5'' G A 12 2.467 9.916 -1.314 1.00 0.00 H new ATOM 0 H4' G A 12 3.018 8.984 0.764 1.00 0.00 H new ATOM 0 H3' G A 12 4.361 7.534 -1.588 1.00 0.00 H new ATOM 0 H2' G A 12 5.596 6.232 0.179 1.00 0.00 H new ATOM 0 HO2' G A 12 5.342 8.417 1.543 1.00 0.00 H new ATOM 0 H1' G A 12 3.381 5.769 1.750 1.00 0.00 H new ATOM 0 H8 G A 12 2.543 5.765 -2.016 1.00 0.00 H new ATOM 0 H1 G A 12 4.307 0.094 0.443 1.00 0.00 H new ATOM 0 H21 G A 12 5.186 1.951 3.247 1.00 0.00 H new ATOM 0 H22 G A 12 5.118 0.367 2.467 1.00 0.00 H new ATOM 390 P C A 13 6.477 8.994 -1.617 1.00 0.00 P ATOM 391 OP1 C A 13 7.245 10.244 -1.390 1.00 0.00 O ATOM 392 OP2 C A 13 5.961 8.705 -2.971 1.00 0.00 O ATOM 393 O5' C A 13 7.395 7.750 -1.150 1.00 0.00 O ATOM 394 C5' C A 13 8.140 7.804 0.048 1.00 0.00 C ATOM 395 C4' C A 13 8.963 6.527 0.217 1.00 0.00 C ATOM 396 O4' C A 13 8.152 5.393 0.482 1.00 0.00 O ATOM 397 C3' C A 13 9.758 6.158 -1.028 1.00 0.00 C ATOM 398 O3' C A 13 10.886 6.980 -1.246 1.00 0.00 O ATOM 399 C2' C A 13 10.100 4.712 -0.701 1.00 0.00 C ATOM 400 O2' C A 13 11.158 4.647 0.238 1.00 0.00 O ATOM 401 C1' C A 13 8.812 4.243 -0.030 1.00 0.00 C ATOM 402 N1 C A 13 7.952 3.538 -1.009 1.00 0.00 N ATOM 403 C2 C A 13 7.999 2.149 -1.020 1.00 0.00 C ATOM 404 O2 C A 13 8.735 1.549 -0.238 1.00 0.00 O ATOM 405 N3 C A 13 7.225 1.467 -1.904 1.00 0.00 N ATOM 406 C4 C A 13 6.432 2.118 -2.755 1.00 0.00 C ATOM 407 N4 C A 13 5.700 1.407 -3.614 1.00 0.00 N ATOM 408 C5 C A 13 6.363 3.546 -2.766 1.00 0.00 C ATOM 409 C6 C A 13 7.135 4.214 -1.877 1.00 0.00 C ATOM 0 H5' C A 13 7.468 7.927 0.897 1.00 0.00 H new ATOM 0 H5'' C A 13 8.800 8.671 0.035 1.00 0.00 H new ATOM 0 H4' C A 13 9.625 6.759 1.052 1.00 0.00 H new ATOM 0 H3' C A 13 9.222 6.293 -1.967 1.00 0.00 H new ATOM 0 H2' C A 13 10.414 4.129 -1.567 1.00 0.00 H new ATOM 0 HO2' C A 13 11.362 3.709 0.436 1.00 0.00 H new ATOM 0 H1' C A 13 9.031 3.544 0.777 1.00 0.00 H new ATOM 0 H41 C A 13 5.085 1.882 -4.275 1.00 0.00 H new ATOM 0 H42 C A 13 5.755 0.388 -3.610 1.00 0.00 H new ATOM 0 H5 C A 13 5.720 4.071 -3.457 1.00 0.00 H new ATOM 0 H6 C A 13 7.107 5.293 -1.852 1.00 0.00 H new ATOM 421 P C A 14 11.567 7.062 -2.706 1.00 0.00 P ATOM 422 OP1 C A 14 10.483 7.223 -3.702 1.00 0.00 O ATOM 423 OP2 C A 14 12.664 8.055 -2.659 1.00 0.00 O ATOM 424 O5' C A 14 12.225 5.605 -2.923 1.00 0.00 O ATOM 425 C5' C A 14 13.361 5.206 -2.182 1.00 0.00 C ATOM 426 C4' C A 14 13.766 3.781 -2.559 1.00 0.00 C ATOM 427 O4' C A 14 12.785 2.838 -2.164 1.00 0.00 O ATOM 428 C3' C A 14 13.951 3.572 -4.057 1.00 0.00 C ATOM 429 O3' C A 14 15.180 4.077 -4.552 1.00 0.00 O ATOM 430 C2' C A 14 13.895 2.051 -4.111 1.00 0.00 C ATOM 431 O2' C A 14 15.128 1.485 -3.703 1.00 0.00 O ATOM 432 C1' C A 14 12.830 1.736 -3.059 1.00 0.00 C ATOM 433 N1 C A 14 11.515 1.543 -3.701 1.00 0.00 N ATOM 434 C2 C A 14 11.062 0.241 -3.860 1.00 0.00 C ATOM 435 O2 C A 14 11.715 -0.713 -3.439 1.00 0.00 O ATOM 436 N3 C A 14 9.880 0.032 -4.492 1.00 0.00 N ATOM 437 C4 C A 14 9.167 1.063 -4.948 1.00 0.00 C ATOM 438 N4 C A 14 8.039 0.802 -5.597 1.00 0.00 N ATOM 439 C5 C A 14 9.588 2.415 -4.759 1.00 0.00 C ATOM 440 C6 C A 14 10.770 2.606 -4.132 1.00 0.00 C ATOM 0 H5' C A 14 13.145 5.260 -1.115 1.00 0.00 H new ATOM 0 H5'' C A 14 14.188 5.890 -2.375 1.00 0.00 H new ATOM 0 H4' C A 14 14.713 3.634 -2.040 1.00 0.00 H new ATOM 0 H3' C A 14 13.220 4.094 -4.675 1.00 0.00 H new ATOM 0 H2' C A 14 13.687 1.663 -5.108 1.00 0.00 H new ATOM 0 HO2' C A 14 15.835 2.160 -3.767 1.00 0.00 H new ATOM 0 HO3' C A 14 15.238 3.910 -5.516 1.00 0.00 H new ATOM 0 H1' C A 14 13.075 0.817 -2.527 1.00 0.00 H new ATOM 0 H41 C A 14 7.470 1.567 -5.959 1.00 0.00 H new ATOM 0 H42 C A 14 7.741 -0.164 -5.734 1.00 0.00 H new ATOM 0 H5 C A 14 8.989 3.246 -5.101 1.00 0.00 H new ATOM 0 H6 C A 14 11.131 3.611 -3.969 1.00 0.00 H new TER 453 C A 14