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 -18:sc= 0.088 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00825 USER MOD Single : A 2 G O2' : rot -20:sc= 0.05 USER MOD Single : A 3 C O2' : rot -19:sc= 0.0374 USER MOD Single : A 4 G O2' : rot 180:sc= -0.301 USER MOD Single : A 5 C O2' : rot 180:sc= -0.115 USER MOD Single : A 6 A O2' : rot 180:sc= -0.609 USER MOD Single : A 7 U O2' : rot 29:sc= 0.0901 USER MOD Single : A 8 C O2' : rot 180:sc= 0 USER MOD Single : A 9 G O2' : rot 16:sc= 0.16 USER MOD Single : A 10 G O2' : rot -11:sc= 0.101 USER MOD Single : A 11 C O2' : rot -21:sc= -0.0248 USER MOD Single : A 12 G O2' : rot -26:sc= 0.0582 USER MOD Single : A 13 C O2' : rot -21:sc= 0.0469 USER MOD Single : A 14 C O2' : rot -16:sc= 0.119 USER MOD Single : A 14 C O3' : rot 180:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 7.037 -7.802 -9.293 1.00 0.00 O ATOM 2 C5' G A 1 8.159 -8.660 -9.298 1.00 0.00 C ATOM 3 C4' G A 1 9.170 -8.251 -8.231 1.00 0.00 C ATOM 4 O4' G A 1 9.776 -7.004 -8.525 1.00 0.00 O ATOM 5 C3' G A 1 8.563 -8.114 -6.840 1.00 0.00 C ATOM 6 O3' G A 1 8.369 -9.346 -6.176 1.00 0.00 O ATOM 7 C2' G A 1 9.648 -7.287 -6.173 1.00 0.00 C ATOM 8 O2' G A 1 10.772 -8.082 -5.843 1.00 0.00 O ATOM 9 C1' G A 1 10.058 -6.341 -7.298 1.00 0.00 C ATOM 10 N9 G A 1 9.281 -5.087 -7.219 1.00 0.00 N ATOM 11 C8 G A 1 8.093 -4.774 -7.823 1.00 0.00 C ATOM 12 N7 G A 1 7.663 -3.567 -7.561 1.00 0.00 N ATOM 13 C5 G A 1 8.637 -3.045 -6.710 1.00 0.00 C ATOM 14 C6 G A 1 8.746 -1.756 -6.109 1.00 0.00 C ATOM 15 O6 G A 1 7.982 -0.795 -6.202 1.00 0.00 O ATOM 16 N1 G A 1 9.888 -1.642 -5.329 1.00 0.00 N ATOM 17 C2 G A 1 10.828 -2.632 -5.163 1.00 0.00 C ATOM 18 N2 G A 1 11.865 -2.352 -4.377 1.00 0.00 N ATOM 19 N3 G A 1 10.751 -3.835 -5.739 1.00 0.00 N ATOM 20 C4 G A 1 9.629 -3.973 -6.494 1.00 0.00 C ATOM 0 H5' G A 1 8.633 -8.638 -10.279 1.00 0.00 H new ATOM 0 H5'' G A 1 7.836 -9.686 -9.123 1.00 0.00 H new ATOM 0 H4' G A 1 9.900 -9.060 -8.238 1.00 0.00 H new ATOM 0 H3' G A 1 7.561 -7.685 -6.836 1.00 0.00 H new ATOM 0 H2' G A 1 9.308 -6.813 -5.252 1.00 0.00 H new ATOM 0 HO2' G A 1 10.515 -9.028 -5.842 1.00 0.00 H new ATOM 0 HO5' G A 1 6.406 -8.085 -9.987 1.00 0.00 H new ATOM 0 H1' G A 1 11.116 -6.088 -7.222 1.00 0.00 H new ATOM 0 H8 G A 1 7.558 -5.463 -8.460 1.00 0.00 H new ATOM 0 H1 G A 1 10.042 -0.759 -4.843 1.00 0.00 H new ATOM 0 H21 G A 1 12.590 -3.052 -4.221 1.00 0.00 H new ATOM 0 H22 G A 1 11.934 -1.437 -3.931 1.00 0.00 H new ATOM 33 P G A 2 7.340 -9.459 -4.946 1.00 0.00 P ATOM 34 OP1 G A 2 6.126 -8.683 -5.280 1.00 0.00 O ATOM 35 OP2 G A 2 7.210 -10.891 -4.592 1.00 0.00 O ATOM 36 O5' G A 2 8.099 -8.712 -3.741 1.00 0.00 O ATOM 37 C5' G A 2 9.198 -9.302 -3.081 1.00 0.00 C ATOM 38 C4' G A 2 9.671 -8.380 -1.959 1.00 0.00 C ATOM 39 O4' G A 2 10.184 -7.146 -2.450 1.00 0.00 O ATOM 40 C3' G A 2 8.543 -8.026 -0.998 1.00 0.00 C ATOM 41 O3' G A 2 8.244 -9.064 -0.085 1.00 0.00 O ATOM 42 C2' G A 2 9.140 -6.783 -0.349 1.00 0.00 C ATOM 43 O2' G A 2 10.134 -7.132 0.601 1.00 0.00 O ATOM 44 C1' G A 2 9.830 -6.113 -1.537 1.00 0.00 C ATOM 45 N9 G A 2 8.927 -5.149 -2.202 1.00 0.00 N ATOM 46 C8 G A 2 8.021 -5.378 -3.209 1.00 0.00 C ATOM 47 N7 G A 2 7.375 -4.310 -3.592 1.00 0.00 N ATOM 48 C5 G A 2 7.883 -3.301 -2.773 1.00 0.00 C ATOM 49 C6 G A 2 7.567 -1.911 -2.734 1.00 0.00 C ATOM 50 O6 G A 2 6.772 -1.291 -3.435 1.00 0.00 O ATOM 51 N1 G A 2 8.286 -1.237 -1.759 1.00 0.00 N ATOM 52 C2 G A 2 9.215 -1.825 -0.936 1.00 0.00 C ATOM 53 N2 G A 2 9.815 -1.027 -0.053 1.00 0.00 N ATOM 54 N3 G A 2 9.538 -3.119 -0.978 1.00 0.00 N ATOM 55 C4 G A 2 8.832 -3.803 -1.919 1.00 0.00 C ATOM 0 H5' G A 2 10.009 -9.478 -3.788 1.00 0.00 H new ATOM 0 H5'' G A 2 8.914 -10.272 -2.674 1.00 0.00 H new ATOM 0 H4' G A 2 10.454 -8.942 -1.450 1.00 0.00 H new ATOM 0 H3' G A 2 7.570 -7.867 -1.463 1.00 0.00 H new ATOM 0 H2' G A 2 8.399 -6.176 0.171 1.00 0.00 H new ATOM 0 HO2' G A 2 10.007 -8.063 0.881 1.00 0.00 H new ATOM 0 H1' G A 2 10.707 -5.561 -1.199 1.00 0.00 H new ATOM 0 H8 G A 2 7.858 -6.353 -3.644 1.00 0.00 H new ATOM 0 H1 G A 2 8.114 -0.238 -1.645 1.00 0.00 H new ATOM 0 H21 G A 2 10.514 -1.407 0.585 1.00 0.00 H new ATOM 0 H22 G A 2 9.575 -0.036 -0.015 1.00 0.00 H new ATOM 67 P C A 3 6.794 -9.154 0.613 1.00 0.00 P ATOM 68 OP1 C A 3 5.769 -9.077 -0.450 1.00 0.00 O ATOM 69 OP2 C A 3 6.800 -10.319 1.528 1.00 0.00 O ATOM 70 O5' C A 3 6.675 -7.814 1.505 1.00 0.00 O ATOM 71 C5' C A 3 7.405 -7.661 2.704 1.00 0.00 C ATOM 72 C4' C A 3 7.171 -6.268 3.297 1.00 0.00 C ATOM 73 O4' C A 3 7.683 -5.239 2.454 1.00 0.00 O ATOM 74 C3' C A 3 5.692 -5.941 3.501 1.00 0.00 C ATOM 75 O3' C A 3 5.113 -6.557 4.639 1.00 0.00 O ATOM 76 C2' C A 3 5.809 -4.430 3.651 1.00 0.00 C ATOM 77 O2' C A 3 6.345 -4.071 4.911 1.00 0.00 O ATOM 78 C1' C A 3 6.855 -4.089 2.597 1.00 0.00 C ATOM 79 N1 C A 3 6.186 -3.740 1.323 1.00 0.00 N ATOM 80 C2 C A 3 5.964 -2.396 1.058 1.00 0.00 C ATOM 81 O2 C A 3 6.331 -1.533 1.857 1.00 0.00 O ATOM 82 N3 C A 3 5.340 -2.048 -0.092 1.00 0.00 N ATOM 83 C4 C A 3 4.939 -2.989 -0.945 1.00 0.00 C ATOM 84 N4 C A 3 4.306 -2.611 -2.051 1.00 0.00 N ATOM 85 C5 C A 3 5.173 -4.377 -0.699 1.00 0.00 C ATOM 86 C6 C A 3 5.800 -4.717 0.451 1.00 0.00 C ATOM 0 H5' C A 3 8.468 -7.808 2.511 1.00 0.00 H new ATOM 0 H5'' C A 3 7.103 -8.424 3.421 1.00 0.00 H new ATOM 0 H4' C A 3 7.688 -6.298 4.256 1.00 0.00 H new ATOM 0 H3' C A 3 5.035 -6.296 2.707 1.00 0.00 H new ATOM 0 H2' C A 3 4.846 -3.929 3.554 1.00 0.00 H new ATOM 0 HO2' C A 3 6.251 -4.823 5.533 1.00 0.00 H new ATOM 0 H1' C A 3 7.457 -3.229 2.888 1.00 0.00 H new ATOM 0 H41 C A 3 3.988 -3.311 -2.721 1.00 0.00 H new ATOM 0 H42 C A 3 4.138 -1.621 -2.229 1.00 0.00 H new ATOM 0 H5 C A 3 4.860 -5.130 -1.407 1.00 0.00 H new ATOM 0 H6 C A 3 5.994 -5.755 0.678 1.00 0.00 H new ATOM 98 P G A 4 3.517 -6.717 4.768 1.00 0.00 P ATOM 99 OP1 G A 4 3.007 -7.232 3.478 1.00 0.00 O ATOM 100 OP2 G A 4 3.226 -7.462 6.013 1.00 0.00 O ATOM 101 O5' G A 4 2.981 -5.207 4.936 1.00 0.00 O ATOM 102 C5' G A 4 3.219 -4.469 6.119 1.00 0.00 C ATOM 103 C4' G A 4 2.764 -3.019 5.936 1.00 0.00 C ATOM 104 O4' G A 4 3.447 -2.416 4.840 1.00 0.00 O ATOM 105 C3' G A 4 1.279 -2.844 5.645 1.00 0.00 C ATOM 106 O3' G A 4 0.456 -2.935 6.793 1.00 0.00 O ATOM 107 C2' G A 4 1.311 -1.433 5.081 1.00 0.00 C ATOM 108 O2' G A 4 1.465 -0.460 6.095 1.00 0.00 O ATOM 109 C1' G A 4 2.589 -1.455 4.247 1.00 0.00 C ATOM 110 N9 G A 4 2.235 -1.835 2.869 1.00 0.00 N ATOM 111 C8 G A 4 2.369 -3.040 2.220 1.00 0.00 C ATOM 112 N7 G A 4 1.956 -3.016 0.986 1.00 0.00 N ATOM 113 C5 G A 4 1.498 -1.718 0.802 1.00 0.00 C ATOM 114 C6 G A 4 0.916 -1.110 -0.343 1.00 0.00 C ATOM 115 O6 G A 4 0.707 -1.600 -1.450 1.00 0.00 O ATOM 116 N1 G A 4 0.563 0.208 -0.108 1.00 0.00 N ATOM 117 C2 G A 4 0.744 0.866 1.082 1.00 0.00 C ATOM 118 N2 G A 4 0.320 2.126 1.140 1.00 0.00 N ATOM 119 N3 G A 4 1.318 0.314 2.157 1.00 0.00 N ATOM 120 C4 G A 4 1.659 -0.986 1.953 1.00 0.00 C ATOM 0 H5' G A 4 4.280 -4.497 6.367 1.00 0.00 H new ATOM 0 H5'' G A 4 2.685 -4.923 6.954 1.00 0.00 H new ATOM 0 H4' G A 4 2.990 -2.552 6.895 1.00 0.00 H new ATOM 0 H3' G A 4 0.854 -3.612 4.998 1.00 0.00 H new ATOM 0 H2' G A 4 0.396 -1.181 4.545 1.00 0.00 H new ATOM 0 HO2' G A 4 1.482 0.433 5.692 1.00 0.00 H new ATOM 0 H1' G A 4 3.086 -0.486 4.217 1.00 0.00 H new ATOM 0 H8 G A 4 2.778 -3.922 2.690 1.00 0.00 H new ATOM 0 H1 G A 4 0.137 0.728 -0.876 1.00 0.00 H new ATOM 0 H21 G A 4 0.430 2.662 2.001 1.00 0.00 H new ATOM 0 H22 G A 4 -0.115 2.556 0.324 1.00 0.00 H new ATOM 132 P C A 5 -1.115 -3.258 6.674 1.00 0.00 P ATOM 133 OP1 C A 5 -1.657 -3.351 8.048 1.00 0.00 O ATOM 134 OP2 C A 5 -1.279 -4.400 5.746 1.00 0.00 O ATOM 135 O5' C A 5 -1.735 -1.945 5.969 1.00 0.00 O ATOM 136 C5' C A 5 -1.769 -0.712 6.657 1.00 0.00 C ATOM 137 C4' C A 5 -2.360 0.391 5.777 1.00 0.00 C ATOM 138 O4' C A 5 -1.596 0.596 4.601 1.00 0.00 O ATOM 139 C3' C A 5 -3.776 0.084 5.312 1.00 0.00 C ATOM 140 O3' C A 5 -4.764 0.331 6.289 1.00 0.00 O ATOM 141 C2' C A 5 -3.882 1.040 4.125 1.00 0.00 C ATOM 142 O2' C A 5 -4.076 2.373 4.548 1.00 0.00 O ATOM 143 C1' C A 5 -2.474 0.952 3.537 1.00 0.00 C ATOM 144 N1 C A 5 -2.430 -0.057 2.448 1.00 0.00 N ATOM 145 C2 C A 5 -2.906 0.328 1.203 1.00 0.00 C ATOM 146 O2 C A 5 -3.345 1.457 1.023 1.00 0.00 O ATOM 147 N3 C A 5 -2.877 -0.565 0.186 1.00 0.00 N ATOM 148 C4 C A 5 -2.396 -1.788 0.381 1.00 0.00 C ATOM 149 N4 C A 5 -2.381 -2.634 -0.646 1.00 0.00 N ATOM 150 C5 C A 5 -1.890 -2.206 1.656 1.00 0.00 C ATOM 151 C6 C A 5 -1.933 -1.310 2.672 1.00 0.00 C ATOM 0 H5' C A 5 -0.761 -0.435 6.965 1.00 0.00 H new ATOM 0 H5'' C A 5 -2.363 -0.815 7.565 1.00 0.00 H new ATOM 0 H4' C A 5 -2.354 1.276 6.414 1.00 0.00 H new ATOM 0 H3' C A 5 -3.945 -0.968 5.080 1.00 0.00 H new ATOM 0 H2' C A 5 -4.706 0.788 3.457 1.00 0.00 H new ATOM 0 HO2' C A 5 -4.138 2.959 3.765 1.00 0.00 H new ATOM 0 H1' C A 5 -2.173 1.905 3.102 1.00 0.00 H new ATOM 0 H41 C A 5 -2.017 -3.579 -0.523 1.00 0.00 H new ATOM 0 H42 C A 5 -2.734 -2.338 -1.556 1.00 0.00 H new ATOM 0 H5 C A 5 -1.489 -3.198 1.801 1.00 0.00 H new ATOM 0 H6 C A 5 -1.576 -1.585 3.654 1.00 0.00 H new ATOM 163 P A A 6 -6.240 -0.307 6.165 1.00 0.00 P ATOM 164 OP1 A A 6 -6.084 -1.759 5.913 1.00 0.00 O ATOM 165 OP2 A A 6 -7.038 0.146 7.328 1.00 0.00 O ATOM 166 O5' A A 6 -6.861 0.360 4.835 1.00 0.00 O ATOM 167 C5' A A 6 -7.266 1.712 4.815 1.00 0.00 C ATOM 168 C4' A A 6 -7.660 2.064 3.384 1.00 0.00 C ATOM 169 O4' A A 6 -6.648 1.642 2.489 1.00 0.00 O ATOM 170 C3' A A 6 -8.938 1.366 2.942 1.00 0.00 C ATOM 171 O3' A A 6 -10.113 2.055 3.340 1.00 0.00 O ATOM 172 C2' A A 6 -8.756 1.339 1.426 1.00 0.00 C ATOM 173 O2' A A 6 -9.181 2.550 0.830 1.00 0.00 O ATOM 174 C1' A A 6 -7.239 1.277 1.258 1.00 0.00 C ATOM 175 N9 A A 6 -6.778 -0.057 0.850 1.00 0.00 N ATOM 176 C8 A A 6 -6.169 -1.037 1.594 1.00 0.00 C ATOM 177 N7 A A 6 -5.881 -2.115 0.911 1.00 0.00 N ATOM 178 C5 A A 6 -6.333 -1.821 -0.377 1.00 0.00 C ATOM 179 C6 A A 6 -6.362 -2.544 -1.582 1.00 0.00 C ATOM 180 N6 A A 6 -5.875 -3.785 -1.700 1.00 0.00 N ATOM 181 N1 A A 6 -6.906 -1.972 -2.663 1.00 0.00 N ATOM 182 C2 A A 6 -7.392 -0.741 -2.553 1.00 0.00 C ATOM 183 N3 A A 6 -7.425 0.048 -1.492 1.00 0.00 N ATOM 184 C4 A A 6 -6.880 -0.567 -0.418 1.00 0.00 C ATOM 0 H5' A A 6 -6.457 2.357 5.157 1.00 0.00 H new ATOM 0 H5'' A A 6 -8.106 1.868 5.491 1.00 0.00 H new ATOM 0 H4' A A 6 -7.806 3.144 3.367 1.00 0.00 H new ATOM 0 H3' A A 6 -9.077 0.382 3.390 1.00 0.00 H new ATOM 0 H2' A A 6 -9.318 0.522 0.973 1.00 0.00 H new ATOM 0 HO2' A A 6 -9.050 2.501 -0.140 1.00 0.00 H new ATOM 0 H1' A A 6 -6.944 1.964 0.465 1.00 0.00 H new ATOM 0 H8 A A 6 -5.948 -0.928 2.646 1.00 0.00 H new ATOM 0 H61 A A 6 -5.920 -4.267 -2.598 1.00 0.00 H new ATOM 0 H62 A A 6 -5.459 -4.248 -0.892 1.00 0.00 H new ATOM 0 H2 A A 6 -7.819 -0.327 -3.454 1.00 0.00 H new ATOM 196 P U A 7 -11.534 1.289 3.453 1.00 0.00 P ATOM 197 OP1 U A 7 -11.339 0.100 4.304 1.00 0.00 O ATOM 198 OP2 U A 7 -12.564 2.287 3.830 1.00 0.00 O ATOM 199 O5' U A 7 -11.853 0.756 1.963 1.00 0.00 O ATOM 200 C5' U A 7 -12.230 1.632 0.925 1.00 0.00 C ATOM 201 C4' U A 7 -12.367 0.880 -0.413 1.00 0.00 C ATOM 202 O4' U A 7 -11.172 0.130 -0.638 1.00 0.00 O ATOM 203 C3' U A 7 -13.536 -0.119 -0.391 1.00 0.00 C ATOM 204 O3' U A 7 -14.188 -0.194 -1.644 1.00 0.00 O ATOM 205 C2' U A 7 -12.830 -1.413 -0.038 1.00 0.00 C ATOM 206 O2' U A 7 -13.556 -2.568 -0.442 1.00 0.00 O ATOM 207 C1' U A 7 -11.507 -1.241 -0.765 1.00 0.00 C ATOM 208 N1 U A 7 -10.483 -2.143 -0.177 1.00 0.00 N ATOM 209 C2 U A 7 -9.911 -3.105 -1.008 1.00 0.00 C ATOM 210 O2 U A 7 -10.204 -3.212 -2.200 1.00 0.00 O ATOM 211 N3 U A 7 -8.990 -3.936 -0.416 1.00 0.00 N ATOM 212 C4 U A 7 -8.594 -3.900 0.906 1.00 0.00 C ATOM 213 O4 U A 7 -7.765 -4.713 1.327 1.00 0.00 O ATOM 214 C5 U A 7 -9.216 -2.863 1.705 1.00 0.00 C ATOM 215 C6 U A 7 -10.130 -2.023 1.149 1.00 0.00 C ATOM 0 H5' U A 7 -11.488 2.424 0.826 1.00 0.00 H new ATOM 0 H5'' U A 7 -13.177 2.111 1.175 1.00 0.00 H new ATOM 0 H4' U A 7 -12.545 1.619 -1.194 1.00 0.00 H new ATOM 0 H3' U A 7 -14.332 0.149 0.304 1.00 0.00 H new ATOM 0 H2' U A 7 -12.717 -1.580 1.033 1.00 0.00 H new ATOM 0 HO2' U A 7 -14.094 -2.356 -1.233 1.00 0.00 H new ATOM 0 H1' U A 7 -11.567 -1.511 -1.819 1.00 0.00 H new ATOM 0 H3 U A 7 -8.559 -4.645 -1.009 1.00 0.00 H new ATOM 0 H5 U A 7 -8.952 -2.757 2.747 1.00 0.00 H new ATOM 0 H6 U A 7 -10.584 -1.253 1.754 1.00 0.00 H new ATOM 226 P C A 8 -14.988 1.071 -2.249 1.00 0.00 P ATOM 227 OP1 C A 8 -15.082 2.119 -1.202 1.00 0.00 O ATOM 228 OP2 C A 8 -16.229 0.572 -2.883 1.00 0.00 O ATOM 229 O5' C A 8 -13.997 1.609 -3.411 1.00 0.00 O ATOM 230 C5' C A 8 -14.053 1.066 -4.720 1.00 0.00 C ATOM 231 C4' C A 8 -13.101 1.781 -5.677 1.00 0.00 C ATOM 232 O4' C A 8 -13.355 3.185 -5.625 1.00 0.00 O ATOM 233 C3' C A 8 -11.643 1.564 -5.303 1.00 0.00 C ATOM 234 O3' C A 8 -11.082 0.434 -5.939 1.00 0.00 O ATOM 235 C2' C A 8 -11.048 2.901 -5.743 1.00 0.00 C ATOM 236 O2' C A 8 -10.830 3.011 -7.142 1.00 0.00 O ATOM 237 C1' C A 8 -12.147 3.869 -5.310 1.00 0.00 C ATOM 238 N1 C A 8 -12.108 4.211 -3.862 1.00 0.00 N ATOM 239 C2 C A 8 -13.030 5.158 -3.430 1.00 0.00 C ATOM 240 O2 C A 8 -13.810 5.684 -4.224 1.00 0.00 O ATOM 241 N3 C A 8 -13.062 5.501 -2.117 1.00 0.00 N ATOM 242 C4 C A 8 -12.211 4.931 -1.258 1.00 0.00 C ATOM 243 N4 C A 8 -12.288 5.276 0.019 1.00 0.00 N ATOM 244 C5 C A 8 -11.236 3.975 -1.685 1.00 0.00 C ATOM 245 C6 C A 8 -11.215 3.641 -2.993 1.00 0.00 C ATOM 0 H5' C A 8 -15.072 1.140 -5.100 1.00 0.00 H new ATOM 0 H5'' C A 8 -13.802 0.006 -4.684 1.00 0.00 H new ATOM 0 H4' C A 8 -13.274 1.373 -6.673 1.00 0.00 H new ATOM 0 H3' C A 8 -11.459 1.332 -4.254 1.00 0.00 H new ATOM 0 H2' C A 8 -10.060 3.070 -5.315 1.00 0.00 H new ATOM 0 HO2' C A 8 -10.451 3.891 -7.346 1.00 0.00 H new ATOM 0 H1' C A 8 -12.036 4.827 -5.817 1.00 0.00 H new ATOM 0 H41 C A 8 -11.653 4.859 0.699 1.00 0.00 H new ATOM 0 H42 C A 8 -12.983 5.959 0.322 1.00 0.00 H new ATOM 0 H5 C A 8 -10.541 3.536 -0.985 1.00 0.00 H new ATOM 0 H6 C A 8 -10.493 2.924 -3.355 1.00 0.00 H new ATOM 257 P G A 9 -9.577 -0.027 -5.602 1.00 0.00 P ATOM 258 OP1 G A 9 -9.638 -1.293 -4.833 1.00 0.00 O ATOM 259 OP2 G A 9 -8.834 1.138 -5.053 1.00 0.00 O ATOM 260 O5' G A 9 -8.992 -0.351 -7.063 1.00 0.00 O ATOM 261 C5' G A 9 -9.165 0.573 -8.106 1.00 0.00 C ATOM 262 C4' G A 9 -8.445 0.100 -9.370 1.00 0.00 C ATOM 263 O4' G A 9 -9.011 -1.100 -9.845 1.00 0.00 O ATOM 264 C3' G A 9 -8.702 1.096 -10.499 1.00 0.00 C ATOM 265 O3' G A 9 -7.792 0.861 -11.555 1.00 0.00 O ATOM 266 C2' G A 9 -10.127 0.722 -10.886 1.00 0.00 C ATOM 267 O2' G A 9 -10.390 0.967 -12.256 1.00 0.00 O ATOM 268 C1' G A 9 -10.200 -0.768 -10.545 1.00 0.00 C ATOM 269 N9 G A 9 -11.395 -1.097 -9.731 1.00 0.00 N ATOM 270 C8 G A 9 -12.555 -0.379 -9.574 1.00 0.00 C ATOM 271 N7 G A 9 -13.428 -0.937 -8.780 1.00 0.00 N ATOM 272 C5 G A 9 -12.801 -2.115 -8.377 1.00 0.00 C ATOM 273 C6 G A 9 -13.261 -3.154 -7.512 1.00 0.00 C ATOM 274 O6 G A 9 -14.326 -3.235 -6.904 1.00 0.00 O ATOM 275 N1 G A 9 -12.333 -4.174 -7.385 1.00 0.00 N ATOM 276 C2 G A 9 -11.106 -4.201 -8.009 1.00 0.00 C ATOM 277 N2 G A 9 -10.330 -5.252 -7.763 1.00 0.00 N ATOM 278 N3 G A 9 -10.667 -3.242 -8.829 1.00 0.00 N ATOM 279 C4 G A 9 -11.569 -2.230 -8.967 1.00 0.00 C ATOM 0 H5' G A 9 -8.779 1.547 -7.804 1.00 0.00 H new ATOM 0 H5'' G A 9 -10.227 0.701 -8.313 1.00 0.00 H new ATOM 0 H4' G A 9 -7.391 -0.011 -9.117 1.00 0.00 H new ATOM 0 H3' G A 9 -8.580 2.148 -10.240 1.00 0.00 H new ATOM 0 H2' G A 9 -10.877 1.315 -10.362 1.00 0.00 H new ATOM 0 HO2' G A 9 -9.544 1.094 -12.734 1.00 0.00 H new ATOM 0 H1' G A 9 -10.289 -1.348 -11.463 1.00 0.00 H new ATOM 0 H8 G A 9 -12.730 0.567 -10.065 1.00 0.00 H new ATOM 0 H1 G A 9 -12.576 -4.963 -6.786 1.00 0.00 H new ATOM 0 H21 G A 9 -9.411 -5.321 -8.200 1.00 0.00 H new ATOM 0 H22 G A 9 -10.654 -5.989 -7.137 1.00 0.00 H new ATOM 291 P G A 10 -6.335 1.535 -11.565 1.00 0.00 P ATOM 292 OP1 G A 10 -5.589 1.013 -12.740 1.00 0.00 O ATOM 293 OP2 G A 10 -6.498 2.995 -11.404 1.00 0.00 O ATOM 294 O5' G A 10 -5.657 0.916 -10.240 1.00 0.00 O ATOM 295 C5' G A 10 -4.684 1.615 -9.490 1.00 0.00 C ATOM 296 C4' G A 10 -5.276 2.801 -8.729 1.00 0.00 C ATOM 297 O4' G A 10 -6.362 2.416 -7.886 1.00 0.00 O ATOM 298 C3' G A 10 -4.181 3.404 -7.852 1.00 0.00 C ATOM 299 O3' G A 10 -3.621 4.568 -8.442 1.00 0.00 O ATOM 300 C2' G A 10 -4.940 3.707 -6.569 1.00 0.00 C ATOM 301 O2' G A 10 -5.554 4.978 -6.590 1.00 0.00 O ATOM 302 C1' G A 10 -6.011 2.624 -6.523 1.00 0.00 C ATOM 303 N9 G A 10 -5.506 1.378 -5.907 1.00 0.00 N ATOM 304 C8 G A 10 -5.379 0.143 -6.490 1.00 0.00 C ATOM 305 N7 G A 10 -4.827 -0.754 -5.719 1.00 0.00 N ATOM 306 C5 G A 10 -4.609 -0.085 -4.519 1.00 0.00 C ATOM 307 C6 G A 10 -4.031 -0.541 -3.297 1.00 0.00 C ATOM 308 O6 G A 10 -3.559 -1.645 -3.036 1.00 0.00 O ATOM 309 N1 G A 10 -4.034 0.441 -2.317 1.00 0.00 N ATOM 310 C2 G A 10 -4.536 1.711 -2.492 1.00 0.00 C ATOM 311 N2 G A 10 -4.485 2.522 -1.434 1.00 0.00 N ATOM 312 N3 G A 10 -5.055 2.157 -3.643 1.00 0.00 N ATOM 313 C4 G A 10 -5.056 1.212 -4.615 1.00 0.00 C ATOM 0 H5' G A 10 -3.900 1.971 -10.159 1.00 0.00 H new ATOM 0 H5'' G A 10 -4.214 0.931 -8.783 1.00 0.00 H new ATOM 0 H4' G A 10 -5.653 3.515 -9.461 1.00 0.00 H new ATOM 0 H3' G A 10 -3.322 2.751 -7.699 1.00 0.00 H new ATOM 0 H2' G A 10 -4.274 3.717 -5.706 1.00 0.00 H new ATOM 0 HO2' G A 10 -5.227 5.487 -7.361 1.00 0.00 H new ATOM 0 H1' G A 10 -6.863 2.921 -5.912 1.00 0.00 H new ATOM 0 H8 G A 10 -5.707 -0.068 -7.497 1.00 0.00 H new ATOM 0 H1 G A 10 -3.638 0.207 -1.407 1.00 0.00 H new ATOM 0 H21 G A 10 -4.842 3.475 -1.504 1.00 0.00 H new ATOM 0 H22 G A 10 -4.089 2.189 -0.555 1.00 0.00 H new ATOM 325 P C A 11 -2.071 4.976 -8.243 1.00 0.00 P ATOM 326 OP1 C A 11 -1.808 6.198 -9.039 1.00 0.00 O ATOM 327 OP2 C A 11 -1.251 3.769 -8.480 1.00 0.00 O ATOM 328 O5' C A 11 -1.958 5.359 -6.684 1.00 0.00 O ATOM 329 C5' C A 11 -2.550 6.538 -6.184 1.00 0.00 C ATOM 330 C4' C A 11 -2.485 6.549 -4.656 1.00 0.00 C ATOM 331 O4' C A 11 -3.156 5.423 -4.098 1.00 0.00 O ATOM 332 C3' C A 11 -1.066 6.493 -4.115 1.00 0.00 C ATOM 333 O3' C A 11 -0.409 7.745 -4.167 1.00 0.00 O ATOM 334 C2' C A 11 -1.335 5.997 -2.697 1.00 0.00 C ATOM 335 O2' C A 11 -1.855 7.038 -1.886 1.00 0.00 O ATOM 336 C1' C A 11 -2.439 4.964 -2.961 1.00 0.00 C ATOM 337 N1 C A 11 -1.840 3.627 -3.199 1.00 0.00 N ATOM 338 C2 C A 11 -1.279 2.974 -2.109 1.00 0.00 C ATOM 339 O2 C A 11 -1.263 3.487 -0.995 1.00 0.00 O ATOM 340 N3 C A 11 -0.741 1.740 -2.290 1.00 0.00 N ATOM 341 C4 C A 11 -0.747 1.171 -3.499 1.00 0.00 C ATOM 342 N4 C A 11 -0.210 -0.040 -3.623 1.00 0.00 N ATOM 343 C5 C A 11 -1.302 1.832 -4.640 1.00 0.00 C ATOM 344 C6 C A 11 -1.835 3.056 -4.438 1.00 0.00 C ATOM 0 H5' C A 11 -3.587 6.601 -6.512 1.00 0.00 H new ATOM 0 H5'' C A 11 -2.035 7.411 -6.584 1.00 0.00 H new ATOM 0 H4' C A 11 -2.958 7.489 -4.373 1.00 0.00 H new ATOM 0 H3' C A 11 -0.383 5.861 -4.683 1.00 0.00 H new ATOM 0 H2' C A 11 -0.450 5.622 -2.182 1.00 0.00 H new ATOM 0 HO2' C A 11 -1.626 7.905 -2.280 1.00 0.00 H new ATOM 0 H1' C A 11 -3.108 4.861 -2.107 1.00 0.00 H new ATOM 0 H41 C A 11 -0.199 -0.502 -4.532 1.00 0.00 H new ATOM 0 H42 C A 11 0.190 -0.506 -2.809 1.00 0.00 H new ATOM 0 H5 C A 11 -1.295 1.373 -5.618 1.00 0.00 H new ATOM 0 H6 C A 11 -2.265 3.592 -5.271 1.00 0.00 H new ATOM 356 P G A 12 1.195 7.833 -4.136 1.00 0.00 P ATOM 357 OP1 G A 12 1.572 9.261 -4.255 1.00 0.00 O ATOM 358 OP2 G A 12 1.729 6.853 -5.109 1.00 0.00 O ATOM 359 O5' G A 12 1.620 7.338 -2.658 1.00 0.00 O ATOM 360 C5' G A 12 1.361 8.130 -1.517 1.00 0.00 C ATOM 361 C4' G A 12 2.072 7.539 -0.300 1.00 0.00 C ATOM 362 O4' G A 12 1.512 6.296 0.100 1.00 0.00 O ATOM 363 C3' G A 12 3.555 7.289 -0.555 1.00 0.00 C ATOM 364 O3' G A 12 4.331 8.466 -0.443 1.00 0.00 O ATOM 365 C2' G A 12 3.838 6.280 0.545 1.00 0.00 C ATOM 366 O2' G A 12 3.952 6.899 1.815 1.00 0.00 O ATOM 367 C1' G A 12 2.560 5.445 0.542 1.00 0.00 C ATOM 368 N9 G A 12 2.691 4.300 -0.383 1.00 0.00 N ATOM 369 C8 G A 12 2.192 4.154 -1.657 1.00 0.00 C ATOM 370 N7 G A 12 2.472 3.005 -2.206 1.00 0.00 N ATOM 371 C5 G A 12 3.195 2.331 -1.226 1.00 0.00 C ATOM 372 C6 G A 12 3.734 1.011 -1.227 1.00 0.00 C ATOM 373 O6 G A 12 3.666 0.162 -2.112 1.00 0.00 O ATOM 374 N1 G A 12 4.404 0.722 -0.055 1.00 0.00 N ATOM 375 C2 G A 12 4.522 1.579 1.011 1.00 0.00 C ATOM 376 N2 G A 12 5.189 1.128 2.073 1.00 0.00 N ATOM 377 N3 G A 12 4.010 2.813 1.034 1.00 0.00 N ATOM 378 C4 G A 12 3.354 3.121 -0.117 1.00 0.00 C ATOM 0 H5' G A 12 0.288 8.179 -1.334 1.00 0.00 H new ATOM 0 H5'' G A 12 1.702 9.151 -1.688 1.00 0.00 H new ATOM 0 H4' G A 12 1.943 8.287 0.482 1.00 0.00 H new ATOM 0 H3' G A 12 3.801 6.945 -1.560 1.00 0.00 H new ATOM 0 H2' G A 12 4.767 5.735 0.378 1.00 0.00 H new ATOM 0 HO2' G A 12 4.241 7.829 1.701 1.00 0.00 H new ATOM 0 H1' G A 12 2.360 5.050 1.538 1.00 0.00 H new ATOM 0 H8 G A 12 1.620 4.922 -2.157 1.00 0.00 H new ATOM 0 H1 G A 12 4.843 -0.195 0.025 1.00 0.00 H new ATOM 0 H21 G A 12 5.306 1.724 2.892 1.00 0.00 H new ATOM 0 H22 G A 12 5.582 0.187 2.066 1.00 0.00 H new ATOM 390 P C A 13 5.699 8.640 -1.277 1.00 0.00 P ATOM 391 OP1 C A 13 6.241 9.993 -1.006 1.00 0.00 O ATOM 392 OP2 C A 13 5.446 8.223 -2.678 1.00 0.00 O ATOM 393 O5' C A 13 6.700 7.562 -0.621 1.00 0.00 O ATOM 394 C5' C A 13 7.223 7.749 0.675 1.00 0.00 C ATOM 395 C4' C A 13 8.207 6.626 1.033 1.00 0.00 C ATOM 396 O4' C A 13 7.536 5.384 1.193 1.00 0.00 O ATOM 397 C3' C A 13 9.275 6.401 -0.030 1.00 0.00 C ATOM 398 O3' C A 13 10.323 7.357 -0.005 1.00 0.00 O ATOM 399 C2' C A 13 9.731 4.995 0.354 1.00 0.00 C ATOM 400 O2' C A 13 10.572 5.034 1.492 1.00 0.00 O ATOM 401 C1' C A 13 8.404 4.348 0.757 1.00 0.00 C ATOM 402 N1 C A 13 7.798 3.635 -0.392 1.00 0.00 N ATOM 403 C2 C A 13 8.082 2.281 -0.548 1.00 0.00 C ATOM 404 O2 C A 13 8.838 1.700 0.233 1.00 0.00 O ATOM 405 N3 C A 13 7.514 1.604 -1.581 1.00 0.00 N ATOM 406 C4 C A 13 6.712 2.235 -2.439 1.00 0.00 C ATOM 407 N4 C A 13 6.169 1.528 -3.428 1.00 0.00 N ATOM 408 C5 C A 13 6.428 3.630 -2.315 1.00 0.00 C ATOM 409 C6 C A 13 6.985 4.286 -1.277 1.00 0.00 C ATOM 0 H5' C A 13 6.410 7.771 1.401 1.00 0.00 H new ATOM 0 H5'' C A 13 7.728 8.713 0.733 1.00 0.00 H new ATOM 0 H4' C A 13 8.674 6.955 1.961 1.00 0.00 H new ATOM 0 H3' C A 13 8.919 6.506 -1.055 1.00 0.00 H new ATOM 0 H2' C A 13 10.284 4.486 -0.436 1.00 0.00 H new ATOM 0 HO2' C A 13 10.949 5.933 1.590 1.00 0.00 H new ATOM 0 H1' C A 13 8.570 3.620 1.551 1.00 0.00 H new ATOM 0 H41 C A 13 5.551 1.983 -4.100 1.00 0.00 H new ATOM 0 H42 C A 13 6.371 0.532 -3.513 1.00 0.00 H new ATOM 0 H5 C A 13 5.792 4.139 -3.025 1.00 0.00 H new ATOM 0 H6 C A 13 6.786 5.339 -1.143 1.00 0.00 H new ATOM 421 P C A 14 11.207 7.650 -1.321 1.00 0.00 P ATOM 422 OP1 C A 14 10.280 7.874 -2.454 1.00 0.00 O ATOM 423 OP2 C A 14 12.199 8.697 -0.976 1.00 0.00 O ATOM 424 O5' C A 14 12.006 6.284 -1.592 1.00 0.00 O ATOM 425 C5' C A 14 13.053 5.874 -0.737 1.00 0.00 C ATOM 426 C4' C A 14 13.640 4.547 -1.220 1.00 0.00 C ATOM 427 O4' C A 14 12.701 3.491 -1.121 1.00 0.00 O ATOM 428 C3' C A 14 14.066 4.585 -2.685 1.00 0.00 C ATOM 429 O3' C A 14 15.329 5.192 -2.874 1.00 0.00 O ATOM 430 C2' C A 14 14.102 3.093 -3.003 1.00 0.00 C ATOM 431 O2' C A 14 15.298 2.500 -2.534 1.00 0.00 O ATOM 432 C1' C A 14 12.932 2.563 -2.175 1.00 0.00 C ATOM 433 N1 C A 14 11.727 2.447 -3.028 1.00 0.00 N ATOM 434 C2 C A 14 11.374 1.186 -3.488 1.00 0.00 C ATOM 435 O2 C A 14 12.029 0.195 -3.168 1.00 0.00 O ATOM 436 N3 C A 14 10.292 1.062 -4.303 1.00 0.00 N ATOM 437 C4 C A 14 9.577 2.134 -4.646 1.00 0.00 C ATOM 438 N4 C A 14 8.534 1.973 -5.456 1.00 0.00 N ATOM 439 C5 C A 14 9.903 3.437 -4.166 1.00 0.00 C ATOM 440 C6 C A 14 10.981 3.544 -3.360 1.00 0.00 C ATOM 0 H5' C A 14 12.680 5.766 0.281 1.00 0.00 H new ATOM 0 H5'' C A 14 13.831 6.637 -0.712 1.00 0.00 H new ATOM 0 H4' C A 14 14.503 4.382 -0.575 1.00 0.00 H new ATOM 0 H3' C A 14 13.408 5.176 -3.322 1.00 0.00 H new ATOM 0 H2' C A 14 14.047 2.884 -4.071 1.00 0.00 H new ATOM 0 HO2' C A 14 15.957 3.200 -2.342 1.00 0.00 H new ATOM 0 HO3' C A 14 15.554 5.189 -3.828 1.00 0.00 H new ATOM 0 H1' C A 14 13.158 1.576 -1.771 1.00 0.00 H new ATOM 0 H41 C A 14 7.973 2.779 -5.731 1.00 0.00 H new ATOM 0 H42 C A 14 8.295 1.043 -5.802 1.00 0.00 H new ATOM 0 H5 C A 14 9.313 4.301 -4.436 1.00 0.00 H new ATOM 0 H6 C A 14 11.259 4.512 -2.971 1.00 0.00 H new TER 453 C A 14