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 180:sc= -0.0752 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -17:sc= 0.0556 USER MOD Single : A 3 C O2' : rot -20:sc= 0.0483 USER MOD Single : A 4 G O2' : rot 180:sc= -0.0977 USER MOD Single : A 5 C O2' : rot -14:sc= -0.186 USER MOD Single : A 6 A O2' : rot -12:sc= -0.453 USER MOD Single : A 7 U O2' : rot 16:sc= 0.0639 USER MOD Single : A 8 C O2' : rot 180:sc= -0.935 USER MOD Single : A 9 G O2' : rot 17:sc= 0.236 USER MOD Single : A 10 G O2' : rot 180:sc= -0.553 USER MOD Single : A 11 C O2' : rot -24:sc= 0.0357 USER MOD Single : A 12 G O2' : rot -21:sc= 0.0732 USER MOD Single : A 13 C O2' : rot 180:sc= -0.0137 USER MOD Single : A 14 C O2' : rot -18:sc= 0.114 USER MOD Single : A 14 C O3' : rot 180:sc= 0.137 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.763 -8.059 -9.410 1.00 0.00 O ATOM 2 C5' G A 1 7.833 -8.987 -9.384 1.00 0.00 C ATOM 3 C4' G A 1 8.828 -8.651 -8.265 1.00 0.00 C ATOM 4 O4' G A 1 9.509 -7.428 -8.512 1.00 0.00 O ATOM 5 C3' G A 1 8.189 -8.494 -6.888 1.00 0.00 C ATOM 6 O3' G A 1 7.896 -9.727 -6.258 1.00 0.00 O ATOM 7 C2' G A 1 9.294 -7.723 -6.173 1.00 0.00 C ATOM 8 O2' G A 1 10.383 -8.561 -5.829 1.00 0.00 O ATOM 9 C1' G A 1 9.750 -6.777 -7.276 1.00 0.00 C ATOM 10 N9 G A 1 8.994 -5.510 -7.219 1.00 0.00 N ATOM 11 C8 G A 1 7.785 -5.191 -7.786 1.00 0.00 C ATOM 12 N7 G A 1 7.402 -3.961 -7.563 1.00 0.00 N ATOM 13 C5 G A 1 8.421 -3.434 -6.770 1.00 0.00 C ATOM 14 C6 G A 1 8.568 -2.132 -6.203 1.00 0.00 C ATOM 15 O6 G A 1 7.805 -1.173 -6.292 1.00 0.00 O ATOM 16 N1 G A 1 9.744 -2.015 -5.475 1.00 0.00 N ATOM 17 C2 G A 1 10.669 -3.013 -5.318 1.00 0.00 C ATOM 18 N2 G A 1 11.745 -2.716 -4.593 1.00 0.00 N ATOM 19 N3 G A 1 10.546 -4.237 -5.846 1.00 0.00 N ATOM 20 C4 G A 1 9.398 -4.378 -6.554 1.00 0.00 C ATOM 0 H5' G A 1 8.347 -8.982 -10.345 1.00 0.00 H new ATOM 0 H5'' G A 1 7.442 -9.994 -9.237 1.00 0.00 H new ATOM 0 H4' G A 1 9.504 -9.506 -8.264 1.00 0.00 H new ATOM 0 H3' G A 1 7.214 -8.006 -6.900 1.00 0.00 H new ATOM 0 H2' G A 1 8.958 -7.259 -5.246 1.00 0.00 H new ATOM 0 HO2' G A 1 11.072 -8.032 -5.374 1.00 0.00 H new ATOM 0 HO5' G A 1 6.144 -8.294 -10.132 1.00 0.00 H new ATOM 0 H1' G A 1 10.807 -6.538 -7.159 1.00 0.00 H new ATOM 0 H8 G A 1 7.203 -5.893 -8.364 1.00 0.00 H new ATOM 0 H1 G A 1 9.933 -1.120 -5.024 1.00 0.00 H new ATOM 0 H21 G A 1 12.468 -3.419 -4.442 1.00 0.00 H new ATOM 0 H22 G A 1 11.846 -1.785 -4.189 1.00 0.00 H new ATOM 33 P G A 2 6.823 -9.800 -5.051 1.00 0.00 P ATOM 34 OP1 G A 2 5.623 -9.023 -5.443 1.00 0.00 O ATOM 35 OP2 G A 2 6.674 -11.216 -4.643 1.00 0.00 O ATOM 36 O5' G A 2 7.523 -9.003 -3.847 1.00 0.00 O ATOM 37 C5' G A 2 8.640 -9.537 -3.164 1.00 0.00 C ATOM 38 C4' G A 2 9.136 -8.539 -2.117 1.00 0.00 C ATOM 39 O4' G A 2 9.607 -7.334 -2.698 1.00 0.00 O ATOM 40 C3' G A 2 8.050 -8.139 -1.127 1.00 0.00 C ATOM 41 O3' G A 2 7.791 -9.115 -0.133 1.00 0.00 O ATOM 42 C2' G A 2 8.666 -6.860 -0.569 1.00 0.00 C ATOM 43 O2' G A 2 9.686 -7.166 0.364 1.00 0.00 O ATOM 44 C1' G A 2 9.325 -6.264 -1.806 1.00 0.00 C ATOM 45 N9 G A 2 8.406 -5.300 -2.446 1.00 0.00 N ATOM 46 C8 G A 2 7.441 -5.531 -3.390 1.00 0.00 C ATOM 47 N7 G A 2 6.801 -4.456 -3.761 1.00 0.00 N ATOM 48 C5 G A 2 7.378 -3.437 -3.000 1.00 0.00 C ATOM 49 C6 G A 2 7.091 -2.042 -2.953 1.00 0.00 C ATOM 50 O6 G A 2 6.269 -1.403 -3.605 1.00 0.00 O ATOM 51 N1 G A 2 7.880 -1.380 -2.030 1.00 0.00 N ATOM 52 C2 G A 2 8.850 -1.976 -1.264 1.00 0.00 C ATOM 53 N2 G A 2 9.527 -1.183 -0.435 1.00 0.00 N ATOM 54 N3 G A 2 9.141 -3.280 -1.306 1.00 0.00 N ATOM 55 C4 G A 2 8.361 -3.951 -2.193 1.00 0.00 C ATOM 0 H5' G A 2 9.438 -9.761 -3.872 1.00 0.00 H new ATOM 0 H5'' G A 2 8.368 -10.477 -2.683 1.00 0.00 H new ATOM 0 H4' G A 2 9.944 -9.065 -1.608 1.00 0.00 H new ATOM 0 H3' G A 2 7.061 -8.019 -1.569 1.00 0.00 H new ATOM 0 H2' G A 2 7.942 -6.219 -0.067 1.00 0.00 H new ATOM 0 HO2' G A 2 9.599 -8.100 0.649 1.00 0.00 H new ATOM 0 H1' G A 2 10.242 -5.738 -1.540 1.00 0.00 H new ATOM 0 H8 G A 2 7.229 -6.512 -3.790 1.00 0.00 H new ATOM 0 H1 G A 2 7.730 -0.378 -1.910 1.00 0.00 H new ATOM 0 H21 G A 2 10.260 -1.572 0.158 1.00 0.00 H new ATOM 0 H22 G A 2 9.313 -0.187 -0.394 1.00 0.00 H new ATOM 67 P C A 3 6.360 -9.164 0.609 1.00 0.00 P ATOM 68 OP1 C A 3 5.309 -9.058 -0.430 1.00 0.00 O ATOM 69 OP2 C A 3 6.367 -10.326 1.527 1.00 0.00 O ATOM 70 O5' C A 3 6.314 -7.818 1.497 1.00 0.00 O ATOM 71 C5' C A 3 7.134 -7.673 2.640 1.00 0.00 C ATOM 72 C4' C A 3 6.956 -6.284 3.248 1.00 0.00 C ATOM 73 O4' C A 3 7.440 -5.270 2.381 1.00 0.00 O ATOM 74 C3' C A 3 5.504 -5.923 3.521 1.00 0.00 C ATOM 75 O3' C A 3 4.966 -6.528 4.680 1.00 0.00 O ATOM 76 C2' C A 3 5.649 -4.417 3.683 1.00 0.00 C ATOM 77 O2' C A 3 6.264 -4.104 4.915 1.00 0.00 O ATOM 78 C1' C A 3 6.643 -4.104 2.577 1.00 0.00 C ATOM 79 N1 C A 3 5.912 -3.743 1.342 1.00 0.00 N ATOM 80 C2 C A 3 5.652 -2.394 1.128 1.00 0.00 C ATOM 81 O2 C A 3 6.028 -1.535 1.933 1.00 0.00 O ATOM 82 N3 C A 3 4.969 -2.031 0.014 1.00 0.00 N ATOM 83 C4 C A 3 4.568 -2.962 -0.853 1.00 0.00 C ATOM 84 N4 C A 3 3.893 -2.564 -1.931 1.00 0.00 N ATOM 85 C5 C A 3 4.837 -4.352 -0.654 1.00 0.00 C ATOM 86 C6 C A 3 5.513 -4.707 0.457 1.00 0.00 C ATOM 0 H5' C A 3 8.178 -7.827 2.369 1.00 0.00 H new ATOM 0 H5'' C A 3 6.880 -8.435 3.377 1.00 0.00 H new ATOM 0 H4' C A 3 7.516 -6.331 4.182 1.00 0.00 H new ATOM 0 H3' C A 3 4.812 -6.259 2.749 1.00 0.00 H new ATOM 0 H2' C A 3 4.701 -3.881 3.647 1.00 0.00 H new ATOM 0 HO2' C A 3 6.170 -4.862 5.529 1.00 0.00 H new ATOM 0 H1' C A 3 7.280 -3.260 2.841 1.00 0.00 H new ATOM 0 H41 C A 3 3.572 -3.250 -2.614 1.00 0.00 H new ATOM 0 H42 C A 3 3.698 -1.573 -2.073 1.00 0.00 H new ATOM 0 H5 C A 3 4.510 -5.092 -1.369 1.00 0.00 H new ATOM 0 H6 C A 3 5.738 -5.746 0.647 1.00 0.00 H new ATOM 98 P G A 4 3.367 -6.642 4.870 1.00 0.00 P ATOM 99 OP1 G A 4 2.799 -7.222 3.632 1.00 0.00 O ATOM 100 OP2 G A 4 3.111 -7.299 6.174 1.00 0.00 O ATOM 101 O5' G A 4 2.860 -5.119 4.983 1.00 0.00 O ATOM 102 C5' G A 4 3.132 -4.357 6.143 1.00 0.00 C ATOM 103 C4' G A 4 2.660 -2.919 5.957 1.00 0.00 C ATOM 104 O4' G A 4 3.334 -2.281 4.878 1.00 0.00 O ATOM 105 C3' G A 4 1.171 -2.766 5.662 1.00 0.00 C ATOM 106 O3' G A 4 0.352 -2.970 6.802 1.00 0.00 O ATOM 107 C2' G A 4 1.183 -1.324 5.171 1.00 0.00 C ATOM 108 O2' G A 4 1.360 -0.414 6.242 1.00 0.00 O ATOM 109 C1' G A 4 2.453 -1.314 4.322 1.00 0.00 C ATOM 110 N9 G A 4 2.092 -1.628 2.926 1.00 0.00 N ATOM 111 C8 G A 4 2.229 -2.796 2.219 1.00 0.00 C ATOM 112 N7 G A 4 1.797 -2.717 0.991 1.00 0.00 N ATOM 113 C5 G A 4 1.344 -1.410 0.866 1.00 0.00 C ATOM 114 C6 G A 4 0.762 -0.748 -0.248 1.00 0.00 C ATOM 115 O6 G A 4 0.562 -1.192 -1.378 1.00 0.00 O ATOM 116 N1 G A 4 0.402 0.555 0.050 1.00 0.00 N ATOM 117 C2 G A 4 0.601 1.155 1.271 1.00 0.00 C ATOM 118 N2 G A 4 0.186 2.418 1.385 1.00 0.00 N ATOM 119 N3 G A 4 1.175 0.548 2.315 1.00 0.00 N ATOM 120 C4 G A 4 1.517 -0.736 2.048 1.00 0.00 C ATOM 0 H5' G A 4 4.202 -4.371 6.353 1.00 0.00 H new ATOM 0 H5'' G A 4 2.633 -4.802 7.004 1.00 0.00 H new ATOM 0 H4' G A 4 2.884 -2.461 6.920 1.00 0.00 H new ATOM 0 H3' G A 4 0.751 -3.491 4.965 1.00 0.00 H new ATOM 0 H2' G A 4 0.262 -1.035 4.664 1.00 0.00 H new ATOM 0 HO2' G A 4 1.365 0.503 5.895 1.00 0.00 H new ATOM 0 H1' G A 4 2.946 -0.342 4.321 1.00 0.00 H new ATOM 0 H8 G A 4 2.654 -3.695 2.640 1.00 0.00 H new ATOM 0 H1 G A 4 -0.040 1.107 -0.685 1.00 0.00 H new ATOM 0 H21 G A 4 0.306 2.917 2.267 1.00 0.00 H new ATOM 0 H22 G A 4 -0.251 2.885 0.590 1.00 0.00 H new ATOM 132 P C A 5 -1.218 -3.301 6.654 1.00 0.00 P ATOM 133 OP1 C A 5 -1.770 -3.501 8.012 1.00 0.00 O ATOM 134 OP2 C A 5 -1.370 -4.371 5.647 1.00 0.00 O ATOM 135 O5' C A 5 -1.838 -1.949 6.037 1.00 0.00 O ATOM 136 C5' C A 5 -1.915 -0.774 6.808 1.00 0.00 C ATOM 137 C4' C A 5 -2.504 0.382 5.977 1.00 0.00 C ATOM 138 O4' C A 5 -1.719 0.685 4.829 1.00 0.00 O ATOM 139 C3' C A 5 -3.914 0.097 5.461 1.00 0.00 C ATOM 140 O3' C A 5 -4.926 0.252 6.436 1.00 0.00 O ATOM 141 C2' C A 5 -3.999 1.139 4.350 1.00 0.00 C ATOM 142 O2' C A 5 -4.237 2.432 4.882 1.00 0.00 O ATOM 143 C1' C A 5 -2.582 1.126 3.789 1.00 0.00 C ATOM 144 N1 C A 5 -2.525 0.222 2.619 1.00 0.00 N ATOM 145 C2 C A 5 -2.972 0.723 1.400 1.00 0.00 C ATOM 146 O2 C A 5 -3.375 1.882 1.313 1.00 0.00 O ATOM 147 N3 C A 5 -2.954 -0.083 0.311 1.00 0.00 N ATOM 148 C4 C A 5 -2.493 -1.328 0.407 1.00 0.00 C ATOM 149 N4 C A 5 -2.490 -2.078 -0.687 1.00 0.00 N ATOM 150 C5 C A 5 -2.010 -1.857 1.645 1.00 0.00 C ATOM 151 C6 C A 5 -2.048 -1.053 2.739 1.00 0.00 C ATOM 0 H5' C A 5 -0.922 -0.502 7.167 1.00 0.00 H new ATOM 0 H5'' C A 5 -2.535 -0.950 7.687 1.00 0.00 H new ATOM 0 H4' C A 5 -2.517 1.218 6.676 1.00 0.00 H new ATOM 0 H3' C A 5 -4.073 -0.934 5.146 1.00 0.00 H new ATOM 0 H2' C A 5 -4.794 0.925 3.635 1.00 0.00 H new ATOM 0 HO2' C A 5 -4.515 2.354 5.819 1.00 0.00 H new ATOM 0 H1' C A 5 -2.274 2.116 3.454 1.00 0.00 H new ATOM 0 H41 C A 5 -2.143 -3.036 -0.647 1.00 0.00 H new ATOM 0 H42 C A 5 -2.834 -1.696 -1.568 1.00 0.00 H new ATOM 0 H5 C A 5 -1.627 -2.865 1.708 1.00 0.00 H new ATOM 0 H6 C A 5 -1.704 -1.418 3.695 1.00 0.00 H new ATOM 163 P A A 6 -6.396 -0.391 6.220 1.00 0.00 P ATOM 164 OP1 A A 6 -6.229 -1.842 5.961 1.00 0.00 O ATOM 165 OP2 A A 6 -7.252 0.044 7.348 1.00 0.00 O ATOM 166 O5' A A 6 -6.973 0.285 4.883 1.00 0.00 O ATOM 167 C5' A A 6 -7.410 1.628 4.841 1.00 0.00 C ATOM 168 C4' A A 6 -7.784 1.999 3.405 1.00 0.00 C ATOM 169 O4' A A 6 -6.694 1.743 2.528 1.00 0.00 O ATOM 170 C3' A A 6 -8.952 1.174 2.898 1.00 0.00 C ATOM 171 O3' A A 6 -10.213 1.721 3.252 1.00 0.00 O ATOM 172 C2' A A 6 -8.710 1.211 1.395 1.00 0.00 C ATOM 173 O2' A A 6 -9.194 2.438 0.892 1.00 0.00 O ATOM 174 C1' A A 6 -7.189 1.257 1.290 1.00 0.00 C ATOM 175 N9 A A 6 -6.633 -0.083 1.004 1.00 0.00 N ATOM 176 C8 A A 6 -6.077 -1.002 1.859 1.00 0.00 C ATOM 177 N7 A A 6 -5.676 -2.103 1.272 1.00 0.00 N ATOM 178 C5 A A 6 -6.003 -1.899 -0.071 1.00 0.00 C ATOM 179 C6 A A 6 -5.869 -2.690 -1.226 1.00 0.00 C ATOM 180 N6 A A 6 -5.338 -3.910 -1.240 1.00 0.00 N ATOM 181 N1 A A 6 -6.295 -2.198 -2.395 1.00 0.00 N ATOM 182 C2 A A 6 -6.833 -0.984 -2.412 1.00 0.00 C ATOM 183 N3 A A 6 -7.025 -0.141 -1.406 1.00 0.00 N ATOM 184 C4 A A 6 -6.584 -0.671 -0.242 1.00 0.00 C ATOM 0 H5' A A 6 -6.624 2.289 5.205 1.00 0.00 H new ATOM 0 H5'' A A 6 -8.269 1.763 5.498 1.00 0.00 H new ATOM 0 H4' A A 6 -8.048 3.057 3.418 1.00 0.00 H new ATOM 0 H3' A A 6 -8.994 0.171 3.322 1.00 0.00 H new ATOM 0 H2' A A 6 -9.179 0.383 0.863 1.00 0.00 H new ATOM 0 HO2' A A 6 -9.740 2.879 1.576 1.00 0.00 H new ATOM 0 H1' A A 6 -6.890 1.909 0.469 1.00 0.00 H new ATOM 0 H8 A A 6 -5.979 -0.833 2.921 1.00 0.00 H new ATOM 0 H61 A A 6 -5.272 -4.428 -2.116 1.00 0.00 H new ATOM 0 H62 A A 6 -4.997 -4.327 -0.374 1.00 0.00 H new ATOM 0 H2 A A 6 -7.160 -0.634 -3.380 1.00 0.00 H new ATOM 196 P U A 7 -11.554 0.817 3.259 1.00 0.00 P ATOM 197 OP1 U A 7 -11.306 -0.357 4.124 1.00 0.00 O ATOM 198 OP2 U A 7 -12.710 1.696 3.551 1.00 0.00 O ATOM 199 O5' U A 7 -11.704 0.294 1.744 1.00 0.00 O ATOM 200 C5' U A 7 -12.124 1.144 0.700 1.00 0.00 C ATOM 201 C4' U A 7 -12.160 0.368 -0.613 1.00 0.00 C ATOM 202 O4' U A 7 -10.918 -0.299 -0.798 1.00 0.00 O ATOM 203 C3' U A 7 -13.263 -0.696 -0.604 1.00 0.00 C ATOM 204 O3' U A 7 -13.896 -0.831 -1.865 1.00 0.00 O ATOM 205 C2' U A 7 -12.490 -1.938 -0.206 1.00 0.00 C ATOM 206 O2' U A 7 -13.127 -3.139 -0.585 1.00 0.00 O ATOM 207 C1' U A 7 -11.173 -1.688 -0.926 1.00 0.00 C ATOM 208 N1 U A 7 -10.121 -2.525 -0.304 1.00 0.00 N ATOM 209 C2 U A 7 -9.545 -3.519 -1.087 1.00 0.00 C ATOM 210 O2 U A 7 -9.859 -3.715 -2.264 1.00 0.00 O ATOM 211 N3 U A 7 -8.592 -4.291 -0.455 1.00 0.00 N ATOM 212 C4 U A 7 -8.168 -4.158 0.849 1.00 0.00 C ATOM 213 O4 U A 7 -7.315 -4.915 1.324 1.00 0.00 O ATOM 214 C5 U A 7 -8.798 -3.086 1.589 1.00 0.00 C ATOM 215 C6 U A 7 -9.748 -2.314 0.999 1.00 0.00 C ATOM 0 H5' U A 7 -11.445 1.992 0.614 1.00 0.00 H new ATOM 0 H5'' U A 7 -13.112 1.548 0.922 1.00 0.00 H new ATOM 0 H4' U A 7 -12.353 1.081 -1.415 1.00 0.00 H new ATOM 0 H3' U A 7 -14.091 -0.463 0.065 1.00 0.00 H new ATOM 0 H2' U A 7 -12.387 -2.080 0.870 1.00 0.00 H new ATOM 0 HO2' U A 7 -13.819 -2.946 -1.252 1.00 0.00 H new ATOM 0 H1' U A 7 -11.199 -1.957 -1.982 1.00 0.00 H new ATOM 0 H3 U A 7 -8.160 -5.032 -1.007 1.00 0.00 H new ATOM 0 H5 U A 7 -8.512 -2.899 2.614 1.00 0.00 H new ATOM 0 H6 U A 7 -10.216 -1.522 1.565 1.00 0.00 H new ATOM 226 P C A 8 -14.793 0.359 -2.490 1.00 0.00 P ATOM 227 OP1 C A 8 -14.982 1.400 -1.456 1.00 0.00 O ATOM 228 OP2 C A 8 -15.983 -0.236 -3.141 1.00 0.00 O ATOM 229 O5' C A 8 -13.836 0.969 -3.632 1.00 0.00 O ATOM 230 C5' C A 8 -13.890 0.469 -4.957 1.00 0.00 C ATOM 231 C4' C A 8 -12.885 1.203 -5.854 1.00 0.00 C ATOM 232 O4' C A 8 -13.107 2.608 -5.785 1.00 0.00 O ATOM 233 C3' C A 8 -11.458 0.948 -5.417 1.00 0.00 C ATOM 234 O3' C A 8 -10.942 -0.263 -5.930 1.00 0.00 O ATOM 235 C2' C A 8 -10.806 2.234 -5.933 1.00 0.00 C ATOM 236 O2' C A 8 -10.592 2.276 -7.334 1.00 0.00 O ATOM 237 C1' C A 8 -11.865 3.266 -5.556 1.00 0.00 C ATOM 238 N1 C A 8 -11.776 3.704 -4.136 1.00 0.00 N ATOM 239 C2 C A 8 -12.616 4.750 -3.750 1.00 0.00 C ATOM 240 O2 C A 8 -13.385 5.266 -4.563 1.00 0.00 O ATOM 241 N3 C A 8 -12.578 5.195 -2.471 1.00 0.00 N ATOM 242 C4 C A 8 -11.741 4.639 -1.600 1.00 0.00 C ATOM 243 N4 C A 8 -11.726 5.118 -0.358 1.00 0.00 N ATOM 244 C5 C A 8 -10.878 3.568 -1.966 1.00 0.00 C ATOM 245 C6 C A 8 -10.914 3.125 -3.240 1.00 0.00 C ATOM 0 H5' C A 8 -14.897 0.590 -5.356 1.00 0.00 H new ATOM 0 H5'' C A 8 -13.673 -0.599 -4.957 1.00 0.00 H new ATOM 0 H4' C A 8 -13.030 0.829 -6.868 1.00 0.00 H new ATOM 0 H3' C A 8 -11.295 0.785 -4.352 1.00 0.00 H new ATOM 0 H2' C A 8 -9.808 2.372 -5.517 1.00 0.00 H new ATOM 0 HO2' C A 8 -10.175 3.129 -7.576 1.00 0.00 H new ATOM 0 H1' C A 8 -11.738 4.175 -6.144 1.00 0.00 H new ATOM 0 H41 C A 8 -11.096 4.715 0.336 1.00 0.00 H new ATOM 0 H42 C A 8 -12.344 5.888 -0.101 1.00 0.00 H new ATOM 0 H5 C A 8 -10.212 3.122 -1.243 1.00 0.00 H new ATOM 0 H6 C A 8 -10.267 2.319 -3.553 1.00 0.00 H new ATOM 257 P G A 9 -9.491 -0.801 -5.493 1.00 0.00 P ATOM 258 OP1 G A 9 -9.650 -2.156 -4.908 1.00 0.00 O ATOM 259 OP2 G A 9 -8.821 0.265 -4.712 1.00 0.00 O ATOM 260 O5' G A 9 -8.718 -0.964 -6.889 1.00 0.00 O ATOM 261 C5' G A 9 -8.695 0.115 -7.789 1.00 0.00 C ATOM 262 C4' G A 9 -7.793 -0.161 -8.997 1.00 0.00 C ATOM 263 O4' G A 9 -8.405 -1.087 -9.881 1.00 0.00 O ATOM 264 C3' G A 9 -7.716 1.120 -9.813 1.00 0.00 C ATOM 265 O3' G A 9 -6.667 1.108 -10.771 1.00 0.00 O ATOM 266 C2' G A 9 -9.079 1.097 -10.498 1.00 0.00 C ATOM 267 O2' G A 9 -9.038 1.716 -11.767 1.00 0.00 O ATOM 268 C1' G A 9 -9.416 -0.395 -10.604 1.00 0.00 C ATOM 269 N9 G A 9 -10.763 -0.702 -10.077 1.00 0.00 N ATOM 270 C8 G A 9 -11.851 0.131 -9.998 1.00 0.00 C ATOM 271 N7 G A 9 -12.908 -0.417 -9.467 1.00 0.00 N ATOM 272 C5 G A 9 -12.500 -1.719 -9.182 1.00 0.00 C ATOM 273 C6 G A 9 -13.225 -2.801 -8.602 1.00 0.00 C ATOM 274 O6 G A 9 -14.386 -2.820 -8.204 1.00 0.00 O ATOM 275 N1 G A 9 -12.458 -3.951 -8.504 1.00 0.00 N ATOM 276 C2 G A 9 -11.150 -4.044 -8.910 1.00 0.00 C ATOM 277 N2 G A 9 -10.553 -5.228 -8.754 1.00 0.00 N ATOM 278 N3 G A 9 -10.453 -3.036 -9.445 1.00 0.00 N ATOM 279 C4 G A 9 -11.189 -1.902 -9.557 1.00 0.00 C ATOM 0 H5' G A 9 -8.346 1.009 -7.273 1.00 0.00 H new ATOM 0 H5'' G A 9 -9.708 0.321 -8.133 1.00 0.00 H new ATOM 0 H4' G A 9 -6.834 -0.527 -8.630 1.00 0.00 H new ATOM 0 H3' G A 9 -7.506 2.005 -9.213 1.00 0.00 H new ATOM 0 H2' G A 9 -9.833 1.655 -9.942 1.00 0.00 H new ATOM 0 HO2' G A 9 -8.107 1.797 -12.062 1.00 0.00 H new ATOM 0 H1' G A 9 -9.438 -0.707 -11.648 1.00 0.00 H new ATOM 0 H8 G A 9 -11.833 1.153 -10.346 1.00 0.00 H new ATOM 0 H1 G A 9 -12.894 -4.782 -8.104 1.00 0.00 H new ATOM 0 H21 G A 9 -9.582 -5.351 -9.039 1.00 0.00 H new ATOM 0 H22 G A 9 -11.068 -6.010 -8.349 1.00 0.00 H new ATOM 291 P G A 10 -5.130 1.196 -10.309 1.00 0.00 P ATOM 292 OP1 G A 10 -4.754 -0.084 -9.664 1.00 0.00 O ATOM 293 OP2 G A 10 -4.335 1.710 -11.449 1.00 0.00 O ATOM 294 O5' G A 10 -5.187 2.332 -9.168 1.00 0.00 O ATOM 295 C5' G A 10 -5.607 3.639 -9.462 1.00 0.00 C ATOM 296 C4' G A 10 -5.784 4.456 -8.189 1.00 0.00 C ATOM 297 O4' G A 10 -6.654 3.797 -7.266 1.00 0.00 O ATOM 298 C3' G A 10 -4.450 4.663 -7.481 1.00 0.00 C ATOM 299 O3' G A 10 -3.740 5.762 -8.026 1.00 0.00 O ATOM 300 C2' G A 10 -4.980 4.924 -6.074 1.00 0.00 C ATOM 301 O2' G A 10 -5.508 6.225 -5.898 1.00 0.00 O ATOM 302 C1' G A 10 -6.095 3.890 -5.959 1.00 0.00 C ATOM 303 N9 G A 10 -5.537 2.594 -5.520 1.00 0.00 N ATOM 304 C8 G A 10 -5.316 1.469 -6.272 1.00 0.00 C ATOM 305 N7 G A 10 -4.766 0.494 -5.609 1.00 0.00 N ATOM 306 C5 G A 10 -4.615 1.000 -4.320 1.00 0.00 C ATOM 307 C6 G A 10 -4.054 0.395 -3.153 1.00 0.00 C ATOM 308 O6 G A 10 -3.555 -0.723 -3.031 1.00 0.00 O ATOM 309 N1 G A 10 -4.113 1.236 -2.053 1.00 0.00 N ATOM 310 C2 G A 10 -4.646 2.505 -2.069 1.00 0.00 C ATOM 311 N2 G A 10 -4.623 3.175 -0.917 1.00 0.00 N ATOM 312 N3 G A 10 -5.170 3.080 -3.153 1.00 0.00 N ATOM 313 C4 G A 10 -5.115 2.274 -4.244 1.00 0.00 C ATOM 0 H5' G A 10 -6.548 3.607 -10.011 1.00 0.00 H new ATOM 0 H5'' G A 10 -4.876 4.123 -10.110 1.00 0.00 H new ATOM 0 H4' G A 10 -6.209 5.413 -8.493 1.00 0.00 H new ATOM 0 H3' G A 10 -3.727 3.851 -7.554 1.00 0.00 H new ATOM 0 H2' G A 10 -4.193 4.851 -5.323 1.00 0.00 H new ATOM 0 HO2' G A 10 -5.830 6.325 -4.978 1.00 0.00 H new ATOM 0 H1' G A 10 -6.851 4.169 -5.225 1.00 0.00 H new ATOM 0 H8 G A 10 -5.575 1.399 -7.318 1.00 0.00 H new ATOM 0 H1 G A 10 -3.735 0.891 -1.171 1.00 0.00 H new ATOM 0 H21 G A 10 -5.004 4.120 -0.869 1.00 0.00 H new ATOM 0 H22 G A 10 -4.224 2.743 -0.084 1.00 0.00 H new ATOM 325 P C A 11 -2.163 5.943 -7.790 1.00 0.00 P ATOM 326 OP1 C A 11 -1.725 7.172 -8.493 1.00 0.00 O ATOM 327 OP2 C A 11 -1.500 4.658 -8.104 1.00 0.00 O ATOM 328 O5' C A 11 -2.027 6.191 -6.205 1.00 0.00 O ATOM 329 C5' C A 11 -2.522 7.364 -5.607 1.00 0.00 C ATOM 330 C4' C A 11 -2.369 7.259 -4.088 1.00 0.00 C ATOM 331 O4' C A 11 -3.052 6.122 -3.571 1.00 0.00 O ATOM 332 C3' C A 11 -0.920 7.098 -3.648 1.00 0.00 C ATOM 333 O3' C A 11 -0.195 8.310 -3.651 1.00 0.00 O ATOM 334 C2' C A 11 -1.122 6.518 -2.250 1.00 0.00 C ATOM 335 O2' C A 11 -1.526 7.507 -1.330 1.00 0.00 O ATOM 336 C1' C A 11 -2.303 5.575 -2.494 1.00 0.00 C ATOM 337 N1 C A 11 -1.790 4.218 -2.811 1.00 0.00 N ATOM 338 C2 C A 11 -1.318 3.453 -1.758 1.00 0.00 C ATOM 339 O2 C A 11 -1.319 3.888 -0.609 1.00 0.00 O ATOM 340 N3 C A 11 -0.848 2.205 -2.016 1.00 0.00 N ATOM 341 C4 C A 11 -0.831 1.726 -3.258 1.00 0.00 C ATOM 342 N4 C A 11 -0.344 0.499 -3.452 1.00 0.00 N ATOM 343 C5 C A 11 -1.314 2.497 -4.363 1.00 0.00 C ATOM 344 C6 C A 11 -1.782 3.730 -4.090 1.00 0.00 C ATOM 0 H5' C A 11 -3.570 7.506 -5.870 1.00 0.00 H new ATOM 0 H5'' C A 11 -1.980 8.233 -5.980 1.00 0.00 H new ATOM 0 H4' C A 11 -2.784 8.192 -3.708 1.00 0.00 H new ATOM 0 H3' C A 11 -0.315 6.479 -4.310 1.00 0.00 H new ATOM 0 H2' C A 11 -0.220 6.065 -1.839 1.00 0.00 H new ATOM 0 HO2' C A 11 -1.233 8.387 -1.646 1.00 0.00 H new ATOM 0 H1' C A 11 -2.941 5.481 -1.616 1.00 0.00 H new ATOM 0 H41 C A 11 -0.317 0.104 -4.392 1.00 0.00 H new ATOM 0 H42 C A 11 0.002 -0.044 -2.660 1.00 0.00 H new ATOM 0 H5 C A 11 -1.304 2.108 -5.370 1.00 0.00 H new ATOM 0 H6 C A 11 -2.158 4.345 -4.895 1.00 0.00 H new ATOM 356 P G A 12 1.408 8.302 -3.752 1.00 0.00 P ATOM 357 OP1 G A 12 1.873 9.708 -3.875 1.00 0.00 O ATOM 358 OP2 G A 12 1.797 7.310 -4.789 1.00 0.00 O ATOM 359 O5' G A 12 1.916 7.735 -2.325 1.00 0.00 O ATOM 360 C5' G A 12 1.807 8.520 -1.153 1.00 0.00 C ATOM 361 C4' G A 12 2.576 7.843 -0.017 1.00 0.00 C ATOM 362 O4' G A 12 2.009 6.600 0.380 1.00 0.00 O ATOM 363 C3' G A 12 4.017 7.539 -0.398 1.00 0.00 C ATOM 364 O3' G A 12 4.863 8.673 -0.335 1.00 0.00 O ATOM 365 C2' G A 12 4.366 6.497 0.657 1.00 0.00 C ATOM 366 O2' G A 12 4.595 7.102 1.916 1.00 0.00 O ATOM 367 C1' G A 12 3.060 5.706 0.735 1.00 0.00 C ATOM 368 N9 G A 12 3.070 4.555 -0.183 1.00 0.00 N ATOM 369 C8 G A 12 2.680 4.491 -1.495 1.00 0.00 C ATOM 370 N7 G A 12 2.758 3.296 -2.012 1.00 0.00 N ATOM 371 C5 G A 12 3.277 2.518 -0.974 1.00 0.00 C ATOM 372 C6 G A 12 3.617 1.129 -0.952 1.00 0.00 C ATOM 373 O6 G A 12 3.474 0.286 -1.834 1.00 0.00 O ATOM 374 N1 G A 12 4.177 0.759 0.258 1.00 0.00 N ATOM 375 C2 G A 12 4.348 1.598 1.334 1.00 0.00 C ATOM 376 N2 G A 12 4.895 1.057 2.420 1.00 0.00 N ATOM 377 N3 G A 12 4.004 2.887 1.333 1.00 0.00 N ATOM 378 C4 G A 12 3.489 3.289 0.142 1.00 0.00 C ATOM 0 H5' G A 12 0.759 8.639 -0.878 1.00 0.00 H new ATOM 0 H5'' G A 12 2.205 9.519 -1.332 1.00 0.00 H new ATOM 0 H4' G A 12 2.523 8.564 0.799 1.00 0.00 H new ATOM 0 H3' G A 12 4.143 7.209 -1.429 1.00 0.00 H new ATOM 0 H2' G A 12 5.260 5.921 0.417 1.00 0.00 H new ATOM 0 HO2' G A 12 4.814 8.049 1.789 1.00 0.00 H new ATOM 0 H1' G A 12 2.926 5.310 1.742 1.00 0.00 H new ATOM 0 H8 G A 12 2.339 5.352 -2.051 1.00 0.00 H new ATOM 0 H1 G A 12 4.486 -0.208 0.359 1.00 0.00 H new ATOM 0 H21 G A 12 5.048 1.627 3.252 1.00 0.00 H new ATOM 0 H22 G A 12 5.161 0.072 2.420 1.00 0.00 H new ATOM 390 P C A 13 6.147 8.786 -1.306 1.00 0.00 P ATOM 391 OP1 C A 13 6.812 10.082 -1.031 1.00 0.00 O ATOM 392 OP2 C A 13 5.717 8.460 -2.686 1.00 0.00 O ATOM 393 O5' C A 13 7.126 7.615 -0.792 1.00 0.00 O ATOM 394 C5' C A 13 7.820 7.724 0.436 1.00 0.00 C ATOM 395 C4' C A 13 8.757 6.529 0.630 1.00 0.00 C ATOM 396 O4' C A 13 8.054 5.311 0.815 1.00 0.00 O ATOM 397 C3' C A 13 9.655 6.317 -0.589 1.00 0.00 C ATOM 398 O3' C A 13 10.749 7.209 -0.646 1.00 0.00 O ATOM 399 C2' C A 13 10.062 4.866 -0.386 1.00 0.00 C ATOM 400 O2' C A 13 11.109 4.752 0.558 1.00 0.00 O ATOM 401 C1' C A 13 8.797 4.252 0.228 1.00 0.00 C ATOM 402 N1 C A 13 7.987 3.571 -0.807 1.00 0.00 N ATOM 403 C2 C A 13 8.082 2.189 -0.897 1.00 0.00 C ATOM 404 O2 C A 13 8.833 1.559 -0.151 1.00 0.00 O ATOM 405 N3 C A 13 7.336 1.538 -1.828 1.00 0.00 N ATOM 406 C4 C A 13 6.529 2.220 -2.640 1.00 0.00 C ATOM 407 N4 C A 13 5.813 1.542 -3.532 1.00 0.00 N ATOM 408 C5 C A 13 6.417 3.642 -2.568 1.00 0.00 C ATOM 409 C6 C A 13 7.166 4.276 -1.642 1.00 0.00 C ATOM 0 H5' C A 13 7.108 7.773 1.260 1.00 0.00 H new ATOM 0 H5'' C A 13 8.394 8.651 0.455 1.00 0.00 H new ATOM 0 H4' C A 13 9.340 6.772 1.519 1.00 0.00 H new ATOM 0 H3' C A 13 9.168 6.514 -1.544 1.00 0.00 H new ATOM 0 H2' C A 13 10.409 4.399 -1.308 1.00 0.00 H new ATOM 0 HO2' C A 13 11.348 3.808 0.669 1.00 0.00 H new ATOM 0 H1' C A 13 9.065 3.505 0.975 1.00 0.00 H new ATOM 0 H41 C A 13 5.187 2.038 -4.166 1.00 0.00 H new ATOM 0 H42 C A 13 5.890 0.526 -3.582 1.00 0.00 H new ATOM 0 H5 C A 13 5.759 4.188 -3.228 1.00 0.00 H new ATOM 0 H6 C A 13 7.116 5.352 -1.560 1.00 0.00 H new ATOM 421 P C A 14 11.507 7.503 -2.036 1.00 0.00 P ATOM 422 OP1 C A 14 10.466 7.695 -3.079 1.00 0.00 O ATOM 423 OP2 C A 14 12.507 8.572 -1.796 1.00 0.00 O ATOM 424 O5' C A 14 12.297 6.144 -2.377 1.00 0.00 O ATOM 425 C5' C A 14 13.419 5.746 -1.624 1.00 0.00 C ATOM 426 C4' C A 14 13.908 4.376 -2.096 1.00 0.00 C ATOM 427 O4' C A 14 12.944 3.366 -1.834 1.00 0.00 O ATOM 428 C3' C A 14 14.199 4.310 -3.595 1.00 0.00 C ATOM 429 O3' C A 14 15.449 4.869 -3.953 1.00 0.00 O ATOM 430 C2' C A 14 14.163 2.800 -3.799 1.00 0.00 C ATOM 431 O2' C A 14 15.382 2.205 -3.397 1.00 0.00 O ATOM 432 C1' C A 14 13.058 2.363 -2.835 1.00 0.00 C ATOM 433 N1 C A 14 11.772 2.206 -3.559 1.00 0.00 N ATOM 434 C2 C A 14 11.388 0.917 -3.920 1.00 0.00 C ATOM 435 O2 C A 14 12.093 -0.051 -3.645 1.00 0.00 O ATOM 436 N3 C A 14 10.219 0.740 -4.585 1.00 0.00 N ATOM 437 C4 C A 14 9.458 1.790 -4.906 1.00 0.00 C ATOM 438 N4 C A 14 8.330 1.582 -5.580 1.00 0.00 N ATOM 439 C5 C A 14 9.824 3.125 -4.544 1.00 0.00 C ATOM 440 C6 C A 14 10.984 3.283 -3.870 1.00 0.00 C ATOM 0 H5' C A 14 13.161 5.704 -0.566 1.00 0.00 H new ATOM 0 H5'' C A 14 14.217 6.482 -1.728 1.00 0.00 H new ATOM 0 H4' C A 14 14.831 4.214 -1.539 1.00 0.00 H new ATOM 0 H3' C A 14 13.505 4.883 -4.211 1.00 0.00 H new ATOM 0 H2' C A 14 14.001 2.518 -4.839 1.00 0.00 H new ATOM 0 HO2' C A 14 16.082 2.890 -3.354 1.00 0.00 H new ATOM 0 HO3' C A 14 15.575 4.794 -4.922 1.00 0.00 H new ATOM 0 H1' C A 14 13.302 1.401 -2.385 1.00 0.00 H new ATOM 0 H41 C A 14 7.735 2.371 -5.834 1.00 0.00 H new ATOM 0 H42 C A 14 8.060 0.634 -5.842 1.00 0.00 H new ATOM 0 H5 C A 14 9.200 3.969 -4.798 1.00 0.00 H new ATOM 0 H6 C A 14 11.295 4.273 -3.572 1.00 0.00 H new TER 453 C A 14