USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 153 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= -0.0633 USER MOD Single : A 2 G O2' : rot -18:sc= 0.118 USER MOD Single : A 3 C O2' : rot -71:sc= 0.475 USER MOD Single : A 4 A O2' : rot -117:sc= 0.392 USER MOD Single : A 5 C O2' : rot -18:sc= 0.119 USER MOD Single : A 6 U O2' : rot -170:sc= 1.23 USER MOD Single : A 7 U O2' : rot -105:sc= 0.304 USER MOD Single : A 8 C O2' : rot 12:sc= 0.27 USER MOD Single : A 9 G O2' : rot -18:sc= 0.107 USER MOD Single : A 10 G O2' : rot -30:sc= 0.0883 USER MOD Single : A 11 U O2' : rot -23:sc= 0.214 USER MOD Single : A 12 G O2' : rot -26:sc= 0.159 USER MOD Single : A 13 C O2' : rot -18:sc= 0.185 USER MOD Single : A 14 C O2' : rot -17:sc= 0.378 USER MOD Single : A 14 C O3' : rot 180:sc= 0.256 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 G A 1 -8.901 -5.167 9.912 1.00 10.00 O ATOM 2 P G A 1 -10.306 -5.869 10.174 1.00 10.00 P ATOM 3 OP1 G A 1 -11.104 -5.003 11.076 1.00 10.00 O ATOM 4 OP2 G A 1 -10.061 -7.277 10.561 1.00 10.00 O ATOM 5 O5' G A 1 -10.988 -5.865 8.736 1.00 10.00 O ATOM 6 C5' G A 1 -11.332 -7.093 8.097 1.00 10.00 C ATOM 7 C4' G A 1 -11.908 -6.840 6.721 1.00 10.00 C ATOM 8 O4' G A 1 -12.712 -5.622 6.730 1.00 10.00 O ATOM 9 C3' G A 1 -10.899 -6.614 5.600 1.00 10.00 C ATOM 10 O3' G A 1 -10.390 -7.848 5.093 1.00 10.00 O ATOM 11 C2' G A 1 -11.766 -5.900 4.574 1.00 10.00 C ATOM 12 O2' G A 1 -12.652 -6.787 3.920 1.00 10.00 O ATOM 13 C1' G A 1 -12.559 -4.966 5.481 1.00 10.00 C ATOM 14 N9 G A 1 -11.897 -3.676 5.664 1.00 10.00 N ATOM 15 C8 G A 1 -11.186 -3.220 6.749 1.00 10.00 C ATOM 16 N7 G A 1 -10.713 -2.012 6.584 1.00 10.00 N ATOM 17 C5 G A 1 -11.139 -1.648 5.313 1.00 10.00 C ATOM 18 C6 G A 1 -10.936 -0.445 4.577 1.00 10.00 C ATOM 19 O6 G A 1 -10.336 0.583 4.927 1.00 10.00 O ATOM 20 N1 G A 1 -11.541 -0.498 3.324 1.00 10.00 N ATOM 21 C2 G A 1 -12.251 -1.575 2.847 1.00 10.00 C ATOM 22 N2 G A 1 -12.773 -1.454 1.625 1.00 10.00 N ATOM 23 N3 G A 1 -12.449 -2.694 3.522 1.00 10.00 N ATOM 24 C4 G A 1 -11.869 -2.663 4.737 1.00 10.00 C ATOM 0 H5' G A 1 -12.056 -7.634 8.705 1.00 10.00 H new ATOM 0 H5'' G A 1 -10.448 -7.726 8.015 1.00 10.00 H new ATOM 0 H4' G A 1 -12.461 -7.757 6.518 1.00 10.00 H new ATOM 0 H3' G A 1 -10.009 -6.061 5.900 1.00 10.00 H new ATOM 0 H2' G A 1 -11.196 -5.422 3.777 1.00 10.00 H new ATOM 0 HO2' G A 1 -13.192 -6.290 3.270 1.00 10.00 H new ATOM 0 H1' G A 1 -13.525 -4.751 5.023 1.00 10.00 H new ATOM 0 H8 G A 1 -11.034 -3.801 7.647 1.00 10.00 H new ATOM 0 H1 G A 1 -11.451 0.318 2.718 1.00 10.00 H new ATOM 0 H21 G A 1 -13.309 -2.222 1.221 1.00 10.00 H new ATOM 0 H22 G A 1 -12.636 -0.594 1.095 1.00 10.00 H new ATOM 37 P G A 2 -8.859 -8.006 4.608 1.00 10.00 P ATOM 38 OP1 G A 2 -8.405 -9.366 4.973 1.00 10.00 O ATOM 39 OP2 G A 2 -8.090 -6.841 5.102 1.00 10.00 O ATOM 40 O5' G A 2 -8.906 -7.922 3.017 1.00 10.00 O ATOM 41 C5' G A 2 -10.026 -8.429 2.308 1.00 10.00 C ATOM 42 C4' G A 2 -10.189 -7.788 0.947 1.00 10.00 C ATOM 43 O4' G A 2 -10.862 -6.521 1.132 1.00 10.00 O ATOM 44 C3' G A 2 -8.930 -7.450 0.155 1.00 10.00 C ATOM 45 O3' G A 2 -8.525 -8.559 -0.641 1.00 10.00 O ATOM 46 C2' G A 2 -9.408 -6.287 -0.712 1.00 10.00 C ATOM 47 O2' G A 2 -10.184 -6.741 -1.806 1.00 10.00 O ATOM 48 C1' G A 2 -10.301 -5.542 0.280 1.00 10.00 C ATOM 49 N9 G A 2 -9.601 -4.583 1.130 1.00 10.00 N ATOM 50 C8 G A 2 -9.229 -4.784 2.434 1.00 10.00 C ATOM 51 N7 G A 2 -8.666 -3.738 2.977 1.00 10.00 N ATOM 52 C5 G A 2 -8.662 -2.785 1.967 1.00 10.00 C ATOM 53 C6 G A 2 -8.179 -1.444 1.963 1.00 10.00 C ATOM 54 O6 G A 2 -7.643 -0.815 2.888 1.00 10.00 O ATOM 55 N1 G A 2 -8.367 -0.827 0.730 1.00 10.00 N ATOM 56 C2 G A 2 -8.955 -1.432 -0.361 1.00 10.00 C ATOM 57 N2 G A 2 -9.065 -0.687 -1.473 1.00 10.00 N ATOM 58 N3 G A 2 -9.407 -2.678 -0.369 1.00 10.00 N ATOM 59 C4 G A 2 -9.232 -3.293 0.817 1.00 10.00 C ATOM 0 H5' G A 2 -10.929 -8.262 2.895 1.00 10.00 H new ATOM 0 H5'' G A 2 -9.918 -9.507 2.188 1.00 10.00 H new ATOM 0 H4' G A 2 -10.717 -8.549 0.373 1.00 10.00 H new ATOM 0 H3' G A 2 -8.064 -7.208 0.771 1.00 10.00 H new ATOM 0 H2' G A 2 -8.600 -5.701 -1.150 1.00 10.00 H new ATOM 0 HO2' G A 2 -10.023 -7.697 -1.947 1.00 10.00 H new ATOM 0 H1' G A 2 -11.026 -4.973 -0.302 1.00 10.00 H new ATOM 0 H8 G A 2 -9.386 -5.714 2.960 1.00 10.00 H new ATOM 0 H1 G A 2 -8.049 0.137 0.626 1.00 10.00 H new ATOM 0 H21 G A 2 -9.492 -1.082 -2.311 1.00 10.00 H new ATOM 0 H22 G A 2 -8.722 0.274 -1.479 1.00 10.00 H new ATOM 71 P C A 3 -7.036 -8.634 -1.241 1.00 10.00 P ATOM 72 OP1 C A 3 -6.953 -9.877 -2.048 1.00 10.00 O ATOM 73 OP2 C A 3 -6.071 -8.422 -0.137 1.00 10.00 O ATOM 74 O5' C A 3 -6.948 -7.396 -2.236 1.00 10.00 O ATOM 75 C5' C A 3 -7.083 -7.575 -3.643 1.00 10.00 C ATOM 76 C4' C A 3 -6.794 -6.281 -4.366 1.00 10.00 C ATOM 77 O4' C A 3 -7.297 -5.171 -3.577 1.00 10.00 O ATOM 78 C3' C A 3 -5.319 -5.967 -4.580 1.00 10.00 C ATOM 79 O3' C A 3 -4.859 -6.553 -5.793 1.00 10.00 O ATOM 80 C2' C A 3 -5.289 -4.442 -4.653 1.00 10.00 C ATOM 81 O2' C A 3 -5.523 -3.992 -5.972 1.00 10.00 O ATOM 82 C1' C A 3 -6.469 -4.038 -3.762 1.00 10.00 C ATOM 83 N1 C A 3 -6.077 -3.516 -2.438 1.00 10.00 N ATOM 84 C2 C A 3 -5.708 -2.175 -2.336 1.00 10.00 C ATOM 85 O2 C A 3 -5.652 -1.486 -3.364 1.00 10.00 O ATOM 86 N3 C A 3 -5.415 -1.656 -1.121 1.00 10.00 N ATOM 87 C4 C A 3 -5.473 -2.423 -0.031 1.00 10.00 C ATOM 88 N4 C A 3 -5.196 -1.856 1.145 1.00 10.00 N ATOM 89 C5 C A 3 -5.835 -3.796 -0.102 1.00 10.00 C ATOM 90 C6 C A 3 -6.119 -4.296 -1.313 1.00 10.00 C ATOM 0 H5' C A 3 -8.092 -7.913 -3.878 1.00 10.00 H new ATOM 0 H5'' C A 3 -6.399 -8.351 -3.985 1.00 10.00 H new ATOM 0 H4' C A 3 -7.269 -6.407 -5.339 1.00 10.00 H new ATOM 0 H3' C A 3 -4.673 -6.360 -3.795 1.00 10.00 H new ATOM 0 H2' C A 3 -4.330 -4.024 -4.347 1.00 10.00 H new ATOM 0 HO2' C A 3 -4.743 -4.195 -6.530 1.00 10.00 H new ATOM 0 H1' C A 3 -6.985 -3.225 -4.273 1.00 10.00 H new ATOM 0 H41 C A 3 -5.230 -2.412 2.000 1.00 10.00 H new ATOM 0 H42 C A 3 -4.950 -0.867 1.189 1.00 10.00 H new ATOM 0 H5 C A 3 -5.879 -4.412 0.784 1.00 10.00 H new ATOM 0 H6 C A 3 -6.387 -5.338 -1.404 1.00 10.00 H new ATOM 102 P A A 4 -3.292 -6.601 -6.139 1.00 10.00 P ATOM 103 OP1 A A 4 -3.110 -7.479 -7.318 1.00 10.00 O ATOM 104 OP2 A A 4 -2.560 -6.904 -4.888 1.00 10.00 O ATOM 105 O5' A A 4 -2.937 -5.111 -6.567 1.00 10.00 O ATOM 106 C5' A A 4 -2.385 -4.837 -7.852 1.00 10.00 C ATOM 107 C4' A A 4 -1.630 -3.530 -7.837 1.00 10.00 C ATOM 108 O4' A A 4 -2.182 -2.658 -6.816 1.00 10.00 O ATOM 109 C3' A A 4 -0.149 -3.618 -7.501 1.00 10.00 C ATOM 110 O3' A A 4 0.605 -3.909 -8.674 1.00 10.00 O ATOM 111 C2' A A 4 0.144 -2.225 -6.969 1.00 10.00 C ATOM 112 O2' A A 4 0.356 -1.321 -8.031 1.00 10.00 O ATOM 113 C1' A A 4 -1.147 -1.889 -6.229 1.00 10.00 C ATOM 114 N9 A A 4 -1.108 -2.187 -4.797 1.00 10.00 N ATOM 115 C8 A A 4 -1.433 -3.362 -4.161 1.00 10.00 C ATOM 116 N7 A A 4 -1.272 -3.322 -2.861 1.00 10.00 N ATOM 117 C5 A A 4 -0.810 -2.036 -2.623 1.00 10.00 C ATOM 118 C6 A A 4 -0.445 -1.371 -1.441 1.00 10.00 C ATOM 119 N6 A A 4 -0.493 -1.933 -0.232 1.00 10.00 N ATOM 120 N1 A A 4 -0.028 -0.091 -1.549 1.00 10.00 N ATOM 121 C2 A A 4 0.018 0.472 -2.766 1.00 10.00 C ATOM 122 N3 A A 4 -0.293 -0.054 -3.951 1.00 10.00 N ATOM 123 C4 A A 4 -0.704 -1.326 -3.806 1.00 10.00 C ATOM 0 H5' A A 4 -3.182 -4.795 -8.595 1.00 10.00 H new ATOM 0 H5'' A A 4 -1.717 -5.646 -8.147 1.00 10.00 H new ATOM 0 H4' A A 4 -1.734 -3.169 -8.860 1.00 10.00 H new ATOM 0 H3' A A 4 0.108 -4.405 -6.792 1.00 10.00 H new ATOM 0 H2' A A 4 1.038 -2.169 -6.348 1.00 10.00 H new ATOM 0 HO2' A A 4 1.272 -0.976 -7.989 1.00 10.00 H new ATOM 0 H1' A A 4 -1.305 -0.814 -6.317 1.00 10.00 H new ATOM 0 H8 A A 4 -1.788 -4.237 -4.685 1.00 10.00 H new ATOM 0 H61 A A 4 -0.214 -1.398 0.591 1.00 10.00 H new ATOM 0 H62 A A 4 -0.808 -2.898 -0.130 1.00 10.00 H new ATOM 0 H2 A A 4 0.355 1.498 -2.789 1.00 10.00 H new ATOM 135 P C A 5 2.046 -4.596 -8.546 1.00 10.00 P ATOM 136 OP1 C A 5 2.580 -4.760 -9.921 1.00 10.00 O ATOM 137 OP2 C A 5 1.934 -5.771 -7.652 1.00 10.00 O ATOM 138 O5' C A 5 2.900 -3.480 -7.807 1.00 10.00 O ATOM 139 C5' C A 5 3.696 -2.555 -8.537 1.00 10.00 C ATOM 140 C4' C A 5 3.932 -1.324 -7.704 1.00 10.00 C ATOM 141 O4' C A 5 2.870 -1.227 -6.724 1.00 10.00 O ATOM 142 C3' C A 5 5.195 -1.319 -6.861 1.00 10.00 C ATOM 143 O3' C A 5 6.314 -0.883 -7.625 1.00 10.00 O ATOM 144 C2' C A 5 4.836 -0.305 -5.783 1.00 10.00 C ATOM 145 O2' C A 5 4.931 1.018 -6.272 1.00 10.00 O ATOM 146 C1' C A 5 3.367 -0.657 -5.531 1.00 10.00 C ATOM 147 N1 C A 5 3.189 -1.591 -4.404 1.00 10.00 N ATOM 148 C2 C A 5 3.439 -1.113 -3.118 1.00 10.00 C ATOM 149 O2 C A 5 3.791 0.066 -2.977 1.00 10.00 O ATOM 150 N3 C A 5 3.290 -1.936 -2.057 1.00 10.00 N ATOM 151 C4 C A 5 2.899 -3.195 -2.241 1.00 10.00 C ATOM 152 N4 C A 5 2.754 -3.961 -1.156 1.00 10.00 N ATOM 153 C5 C A 5 2.632 -3.716 -3.541 1.00 10.00 C ATOM 154 C6 C A 5 2.795 -2.890 -4.589 1.00 10.00 C ATOM 0 H5' C A 5 3.197 -2.286 -9.468 1.00 10.00 H new ATOM 0 H5'' C A 5 4.648 -3.012 -8.806 1.00 10.00 H new ATOM 0 H4' C A 5 3.995 -0.518 -8.435 1.00 10.00 H new ATOM 0 H3' C A 5 5.479 -2.297 -6.473 1.00 10.00 H new ATOM 0 H2' C A 5 5.483 -0.345 -4.907 1.00 10.00 H new ATOM 0 HO2' C A 5 5.473 1.027 -7.088 1.00 10.00 H new ATOM 0 H1' C A 5 2.822 0.246 -5.257 1.00 10.00 H new ATOM 0 H41 C A 5 2.456 -4.932 -1.253 1.00 10.00 H new ATOM 0 H42 C A 5 2.941 -3.575 -0.231 1.00 10.00 H new ATOM 0 H5 C A 5 2.310 -4.738 -3.679 1.00 10.00 H new ATOM 0 H6 C A 5 2.613 -3.255 -5.589 1.00 10.00 H new ATOM 166 P U A 6 7.729 -1.634 -7.514 1.00 10.00 P ATOM 167 OP1 U A 6 8.679 -0.955 -8.427 1.00 10.00 O ATOM 168 OP2 U A 6 7.488 -3.086 -7.671 1.00 10.00 O ATOM 169 O5' U A 6 8.211 -1.367 -6.023 1.00 10.00 O ATOM 170 C5' U A 6 9.327 -0.515 -5.780 1.00 10.00 C ATOM 171 C4' U A 6 9.551 -0.327 -4.299 1.00 10.00 C ATOM 172 O4' U A 6 8.298 -0.467 -3.579 1.00 10.00 O ATOM 173 C3' U A 6 10.451 -1.350 -3.628 1.00 10.00 C ATOM 174 O3' U A 6 11.826 -1.069 -3.885 1.00 10.00 O ATOM 175 C2' U A 6 10.081 -1.149 -2.165 1.00 10.00 C ATOM 176 O2' U A 6 10.674 0.019 -1.632 1.00 10.00 O ATOM 177 C1' U A 6 8.566 -0.947 -2.272 1.00 10.00 C ATOM 178 N1 U A 6 7.786 -2.174 -2.038 1.00 10.00 N ATOM 179 C2 U A 6 7.667 -2.623 -0.732 1.00 10.00 C ATOM 180 O2 U A 6 8.164 -2.039 0.217 1.00 10.00 O ATOM 181 N3 U A 6 6.930 -3.769 -0.571 1.00 10.00 N ATOM 182 C4 U A 6 6.310 -4.506 -1.555 1.00 10.00 C ATOM 183 O4 U A 6 5.680 -5.519 -1.245 1.00 10.00 O ATOM 184 C5 U A 6 6.475 -3.986 -2.877 1.00 10.00 C ATOM 185 C6 U A 6 7.190 -2.866 -3.075 1.00 10.00 C ATOM 0 H5' U A 6 9.160 0.453 -6.252 1.00 10.00 H new ATOM 0 H5'' U A 6 10.221 -0.941 -6.235 1.00 10.00 H new ATOM 0 H4' U A 6 10.013 0.659 -4.251 1.00 10.00 H new ATOM 0 H3' U A 6 10.320 -2.375 -3.975 1.00 10.00 H new ATOM 0 H2' U A 6 10.404 -1.965 -1.519 1.00 10.00 H new ATOM 0 HO2' U A 6 10.555 0.031 -0.659 1.00 10.00 H new ATOM 0 H1' U A 6 8.263 -0.245 -1.495 1.00 10.00 H new ATOM 0 H3 U A 6 6.830 -4.113 0.384 1.00 10.00 H new ATOM 0 H5 U A 6 6.024 -4.494 -3.717 1.00 10.00 H new ATOM 0 H6 U A 6 7.303 -2.493 -4.082 1.00 10.00 H new ATOM 196 P U A 7 12.954 -2.165 -3.560 1.00 10.00 P ATOM 197 OP1 U A 7 14.043 -2.020 -4.556 1.00 10.00 O ATOM 198 OP2 U A 7 12.282 -3.480 -3.415 1.00 10.00 O ATOM 199 O5' U A 7 13.518 -1.736 -2.135 1.00 10.00 O ATOM 200 C5' U A 7 14.812 -2.148 -1.697 1.00 10.00 C ATOM 201 C4' U A 7 15.408 -1.099 -0.790 1.00 10.00 C ATOM 202 O4' U A 7 15.423 0.169 -1.502 1.00 10.00 O ATOM 203 C3' U A 7 14.639 -0.845 0.506 1.00 10.00 C ATOM 204 O3' U A 7 15.515 -0.669 1.613 1.00 10.00 O ATOM 205 C2' U A 7 13.857 0.432 0.226 1.00 10.00 C ATOM 206 O2' U A 7 13.657 1.202 1.396 1.00 10.00 O ATOM 207 C1' U A 7 14.836 1.161 -0.688 1.00 10.00 C ATOM 208 N1 U A 7 14.198 2.164 -1.553 1.00 10.00 N ATOM 209 C2 U A 7 14.482 3.500 -1.331 1.00 10.00 C ATOM 210 O2 U A 7 15.228 3.887 -0.445 1.00 10.00 O ATOM 211 N3 U A 7 13.861 4.375 -2.182 1.00 10.00 N ATOM 212 C4 U A 7 13.000 4.063 -3.208 1.00 10.00 C ATOM 213 O4 U A 7 12.513 4.969 -3.887 1.00 10.00 O ATOM 214 C5 U A 7 12.753 2.663 -3.371 1.00 10.00 C ATOM 215 C6 U A 7 13.343 1.781 -2.560 1.00 10.00 C ATOM 0 H5' U A 7 15.462 -2.309 -2.557 1.00 10.00 H new ATOM 0 H5'' U A 7 14.741 -3.099 -1.169 1.00 10.00 H new ATOM 0 H4' U A 7 16.393 -1.480 -0.521 1.00 10.00 H new ATOM 0 H3' U A 7 13.999 -1.686 0.774 1.00 10.00 H new ATOM 0 H2' U A 7 12.861 0.251 -0.178 1.00 10.00 H new ATOM 0 HO2' U A 7 12.726 1.114 1.690 1.00 10.00 H new ATOM 0 H1' U A 7 15.554 1.703 -0.073 1.00 10.00 H new ATOM 0 H3 U A 7 14.058 5.365 -2.039 1.00 10.00 H new ATOM 0 H5 U A 7 12.089 2.319 -4.150 1.00 10.00 H new ATOM 0 H6 U A 7 13.141 0.729 -2.700 1.00 10.00 H new ATOM 226 P C A 8 15.672 -1.825 2.712 1.00 10.00 P ATOM 227 OP1 C A 8 16.297 -1.217 3.912 1.00 10.00 O ATOM 228 OP2 C A 8 16.339 -2.970 2.049 1.00 10.00 O ATOM 229 O5' C A 8 14.188 -2.264 3.082 1.00 10.00 O ATOM 230 C5' C A 8 13.503 -1.702 4.201 1.00 10.00 C ATOM 231 C4' C A 8 12.413 -2.636 4.685 1.00 10.00 C ATOM 232 O4' C A 8 11.474 -2.861 3.599 1.00 10.00 O ATOM 233 C3' C A 8 12.871 -4.023 5.130 1.00 10.00 C ATOM 234 O3' C A 8 12.160 -4.472 6.281 1.00 10.00 O ATOM 235 C2' C A 8 12.558 -4.912 3.934 1.00 10.00 C ATOM 236 O2' C A 8 12.268 -6.235 4.344 1.00 10.00 O ATOM 237 C1' C A 8 11.293 -4.248 3.404 1.00 10.00 C ATOM 238 N1 C A 8 11.070 -4.464 1.966 1.00 10.00 N ATOM 239 C2 C A 8 10.038 -5.300 1.520 1.00 10.00 C ATOM 240 O2 C A 8 9.319 -5.874 2.348 1.00 10.00 O ATOM 241 N3 C A 8 9.855 -5.461 0.184 1.00 10.00 N ATOM 242 C4 C A 8 10.655 -4.829 -0.681 1.00 10.00 C ATOM 243 N4 C A 8 10.437 -4.969 -1.984 1.00 10.00 N ATOM 244 C5 C A 8 11.710 -3.987 -0.249 1.00 10.00 C ATOM 245 C6 C A 8 11.877 -3.829 1.065 1.00 10.00 C ATOM 0 H5' C A 8 13.069 -0.741 3.923 1.00 10.00 H new ATOM 0 H5'' C A 8 14.210 -1.511 5.008 1.00 10.00 H new ATOM 0 H4' C A 8 11.993 -2.134 5.557 1.00 10.00 H new ATOM 0 H3' C A 8 13.924 -4.033 5.412 1.00 10.00 H new ATOM 0 H2' C A 8 13.375 -4.995 3.217 1.00 10.00 H new ATOM 0 HO2' C A 8 12.139 -6.256 5.315 1.00 10.00 H new ATOM 0 H1' C A 8 10.436 -4.673 3.926 1.00 10.00 H new ATOM 0 H41 C A 8 11.039 -4.493 -2.656 1.00 10.00 H new ATOM 0 H42 C A 8 9.668 -5.553 -2.313 1.00 10.00 H new ATOM 0 H5 C A 8 12.356 -3.491 -0.958 1.00 10.00 H new ATOM 0 H6 C A 8 12.667 -3.186 1.424 1.00 10.00 H new ATOM 257 P G A 9 12.726 -4.170 7.754 1.00 10.00 P ATOM 258 OP1 G A 9 14.208 -4.200 7.708 1.00 10.00 O ATOM 259 OP2 G A 9 12.020 -5.059 8.703 1.00 10.00 O ATOM 260 O5' G A 9 12.272 -2.675 8.054 1.00 10.00 O ATOM 261 C5' G A 9 10.894 -2.299 8.072 1.00 10.00 C ATOM 262 C4' G A 9 10.792 -0.793 8.079 1.00 10.00 C ATOM 263 O4' G A 9 11.620 -0.255 7.018 1.00 10.00 O ATOM 264 C3' G A 9 9.431 -0.178 7.787 1.00 10.00 C ATOM 265 O3' G A 9 8.561 -0.232 8.913 1.00 10.00 O ATOM 266 C2' G A 9 9.828 1.255 7.450 1.00 10.00 C ATOM 267 O2' G A 9 10.059 2.022 8.617 1.00 10.00 O ATOM 268 C1' G A 9 11.154 1.044 6.720 1.00 10.00 C ATOM 269 N9 G A 9 11.059 1.216 5.270 1.00 10.00 N ATOM 270 C8 G A 9 11.680 2.203 4.555 1.00 10.00 C ATOM 271 N7 G A 9 11.436 2.153 3.276 1.00 10.00 N ATOM 272 C5 G A 9 10.595 1.057 3.138 1.00 10.00 C ATOM 273 C6 G A 9 9.999 0.506 1.976 1.00 10.00 C ATOM 274 O6 G A 9 10.099 0.898 0.805 1.00 10.00 O ATOM 275 N1 G A 9 9.219 -0.609 2.265 1.00 10.00 N ATOM 276 C2 G A 9 9.034 -1.119 3.531 1.00 10.00 C ATOM 277 N2 G A 9 8.235 -2.187 3.639 1.00 10.00 N ATOM 278 N3 G A 9 9.585 -0.614 4.623 1.00 10.00 N ATOM 279 C4 G A 9 10.350 0.464 4.359 1.00 10.00 C ATOM 0 H5' G A 9 10.403 -2.713 8.953 1.00 10.00 H new ATOM 0 H5'' G A 9 10.382 -2.706 7.200 1.00 10.00 H new ATOM 0 H4' G A 9 11.074 -0.548 9.103 1.00 10.00 H new ATOM 0 H3' G A 9 8.872 -0.690 7.004 1.00 10.00 H new ATOM 0 H2' G A 9 9.062 1.788 6.886 1.00 10.00 H new ATOM 0 HO2' G A 9 9.645 1.579 9.387 1.00 10.00 H new ATOM 0 H1' G A 9 11.848 1.809 7.068 1.00 10.00 H new ATOM 0 H8 G A 9 12.312 2.952 5.008 1.00 10.00 H new ATOM 0 H1 G A 9 8.754 -1.080 1.489 1.00 10.00 H new ATOM 0 H21 G A 9 8.063 -2.605 4.553 1.00 10.00 H new ATOM 0 H22 G A 9 7.798 -2.583 2.807 1.00 10.00 H new ATOM 291 P G A 10 6.971 -0.267 8.678 1.00 10.00 P ATOM 292 OP1 G A 10 6.321 0.356 9.856 1.00 10.00 O ATOM 293 OP2 G A 10 6.608 -1.652 8.294 1.00 10.00 O ATOM 294 O5' G A 10 6.721 0.677 7.419 1.00 10.00 O ATOM 295 C5' G A 10 6.540 2.074 7.597 1.00 10.00 C ATOM 296 C4' G A 10 6.590 2.844 6.297 1.00 10.00 C ATOM 297 O4' G A 10 7.199 2.019 5.266 1.00 10.00 O ATOM 298 C3' G A 10 5.247 3.239 5.695 1.00 10.00 C ATOM 299 O3' G A 10 4.805 4.469 6.262 1.00 10.00 O ATOM 300 C2' G A 10 5.601 3.402 4.226 1.00 10.00 C ATOM 301 O2' G A 10 6.337 4.587 4.015 1.00 10.00 O ATOM 302 C1' G A 10 6.504 2.185 4.042 1.00 10.00 C ATOM 303 N9 G A 10 5.760 0.964 3.761 1.00 10.00 N ATOM 304 C8 G A 10 5.376 0.011 4.666 1.00 10.00 C ATOM 305 N7 G A 10 4.753 -0.999 4.117 1.00 10.00 N ATOM 306 C5 G A 10 4.710 -0.682 2.764 1.00 10.00 C ATOM 307 C6 G A 10 4.155 -1.393 1.652 1.00 10.00 C ATOM 308 O6 G A 10 3.591 -2.502 1.641 1.00 10.00 O ATOM 309 N1 G A 10 4.329 -0.702 0.454 1.00 10.00 N ATOM 310 C2 G A 10 4.965 0.519 0.344 1.00 10.00 C ATOM 311 N2 G A 10 5.038 1.060 -0.883 1.00 10.00 N ATOM 312 N3 G A 10 5.486 1.181 1.363 1.00 10.00 N ATOM 313 C4 G A 10 5.323 0.529 2.532 1.00 10.00 C ATOM 0 H5' G A 10 7.311 2.453 8.268 1.00 10.00 H new ATOM 0 H5'' G A 10 5.580 2.252 8.082 1.00 10.00 H new ATOM 0 H4' G A 10 7.138 3.747 6.567 1.00 10.00 H new ATOM 0 H3' G A 10 4.441 2.526 5.869 1.00 10.00 H new ATOM 0 H2' G A 10 4.748 3.465 3.551 1.00 10.00 H new ATOM 0 HO2' G A 10 6.073 5.259 4.678 1.00 10.00 H new ATOM 0 H1' G A 10 7.163 2.355 3.190 1.00 10.00 H new ATOM 0 H8 G A 10 5.568 0.086 5.726 1.00 10.00 H new ATOM 0 H1 G A 10 3.962 -1.126 -0.398 1.00 10.00 H new ATOM 0 H21 G A 10 5.498 1.961 -1.017 1.00 10.00 H new ATOM 0 H22 G A 10 4.634 0.570 -1.681 1.00 10.00 H new ATOM 325 P U A 11 3.270 4.920 6.155 1.00 10.00 P ATOM 326 OP1 U A 11 3.132 6.237 6.823 1.00 10.00 O ATOM 327 OP2 U A 11 2.434 3.783 6.605 1.00 10.00 O ATOM 328 O5' U A 11 3.021 5.131 4.597 1.00 10.00 O ATOM 329 C5' U A 11 3.302 6.368 3.947 1.00 10.00 C ATOM 330 C4' U A 11 2.876 6.307 2.497 1.00 10.00 C ATOM 331 O4' U A 11 3.207 5.002 1.953 1.00 10.00 O ATOM 332 C3' U A 11 1.381 6.459 2.257 1.00 10.00 C ATOM 333 O3' U A 11 1.027 7.831 2.114 1.00 10.00 O ATOM 334 C2' U A 11 1.146 5.696 0.958 1.00 10.00 C ATOM 335 O2' U A 11 1.344 6.527 -0.169 1.00 10.00 O ATOM 336 C1' U A 11 2.234 4.620 0.998 1.00 10.00 C ATOM 337 N1 U A 11 1.716 3.288 1.344 1.00 10.00 N ATOM 338 C2 U A 11 1.211 2.517 0.313 1.00 10.00 C ATOM 339 O2 U A 11 1.146 2.914 -0.840 1.00 10.00 O ATOM 340 N3 U A 11 0.768 1.271 0.685 1.00 10.00 N ATOM 341 C4 U A 11 0.782 0.728 1.950 1.00 10.00 C ATOM 342 O4 U A 11 0.361 -0.419 2.117 1.00 10.00 O ATOM 343 C5 U A 11 1.310 1.585 2.959 1.00 10.00 C ATOM 344 C6 U A 11 1.747 2.807 2.636 1.00 10.00 C ATOM 0 H5' U A 11 4.368 6.587 4.011 1.00 10.00 H new ATOM 0 H5'' U A 11 2.779 7.180 4.453 1.00 10.00 H new ATOM 0 H4' U A 11 3.396 7.142 2.028 1.00 10.00 H new ATOM 0 H3' U A 11 0.778 6.082 3.083 1.00 10.00 H new ATOM 0 H2' U A 11 0.131 5.307 0.876 1.00 10.00 H new ATOM 0 HO2' U A 11 1.231 7.465 0.092 1.00 10.00 H new ATOM 0 H1' U A 11 2.660 4.544 -0.003 1.00 10.00 H new ATOM 0 H3 U A 11 0.387 0.684 -0.057 1.00 10.00 H new ATOM 0 H5 U A 11 1.357 1.248 3.984 1.00 10.00 H new ATOM 0 H6 U A 11 2.139 3.441 3.417 1.00 10.00 H new ATOM 355 P G A 12 -0.514 8.271 2.174 1.00 10.00 P ATOM 356 OP1 G A 12 -0.569 9.754 2.116 1.00 10.00 O ATOM 357 OP2 G A 12 -1.152 7.558 3.304 1.00 10.00 O ATOM 358 O5' G A 12 -1.132 7.710 0.819 1.00 10.00 O ATOM 359 C5' G A 12 -1.455 8.607 -0.235 1.00 10.00 C ATOM 360 C4' G A 12 -2.072 7.866 -1.396 1.00 10.00 C ATOM 361 O4' G A 12 -1.564 6.506 -1.413 1.00 10.00 O ATOM 362 C3' G A 12 -3.585 7.707 -1.339 1.00 10.00 C ATOM 363 O3' G A 12 -4.258 8.831 -1.896 1.00 10.00 O ATOM 364 C2' G A 12 -3.819 6.462 -2.184 1.00 10.00 C ATOM 365 O2' G A 12 -3.835 6.767 -3.566 1.00 10.00 O ATOM 366 C1' G A 12 -2.583 5.626 -1.851 1.00 10.00 C ATOM 367 N9 G A 12 -2.837 4.628 -0.817 1.00 10.00 N ATOM 368 C8 G A 12 -2.644 4.740 0.537 1.00 10.00 C ATOM 369 N7 G A 12 -2.996 3.669 1.196 1.00 10.00 N ATOM 370 C5 G A 12 -3.453 2.798 0.215 1.00 10.00 C ATOM 371 C6 G A 12 -3.968 1.476 0.314 1.00 10.00 C ATOM 372 O6 G A 12 -4.138 0.787 1.332 1.00 10.00 O ATOM 373 N1 G A 12 -4.309 0.959 -0.934 1.00 10.00 N ATOM 374 C2 G A 12 -4.177 1.638 -2.124 1.00 10.00 C ATOM 375 N2 G A 12 -4.572 0.994 -3.233 1.00 10.00 N ATOM 376 N3 G A 12 -3.701 2.866 -2.229 1.00 10.00 N ATOM 377 C4 G A 12 -3.361 3.380 -1.030 1.00 10.00 C ATOM 0 H5' G A 12 -0.556 9.127 -0.565 1.00 10.00 H new ATOM 0 H5'' G A 12 -2.147 9.367 0.127 1.00 10.00 H new ATOM 0 H4' G A 12 -1.814 8.469 -2.267 1.00 10.00 H new ATOM 0 H3' G A 12 -3.965 7.628 -0.321 1.00 10.00 H new ATOM 0 H2' G A 12 -4.772 5.974 -1.980 1.00 10.00 H new ATOM 0 HO2' G A 12 -4.101 7.702 -3.692 1.00 10.00 H new ATOM 0 H1' G A 12 -2.288 5.082 -2.749 1.00 10.00 H new ATOM 0 H8 G A 12 -2.242 5.624 1.010 1.00 10.00 H new ATOM 0 H1 G A 12 -4.683 0.011 -0.968 1.00 10.00 H new ATOM 0 H21 G A 12 -4.496 1.450 -4.142 1.00 10.00 H new ATOM 0 H22 G A 12 -4.948 0.048 -3.167 1.00 10.00 H new ATOM 389 P C A 13 -5.722 9.222 -1.369 1.00 10.00 P ATOM 390 OP1 C A 13 -6.176 10.419 -2.118 1.00 10.00 O ATOM 391 OP2 C A 13 -5.674 9.267 0.112 1.00 10.00 O ATOM 392 O5' C A 13 -6.631 7.991 -1.800 1.00 10.00 O ATOM 393 C5' C A 13 -7.382 8.033 -3.009 1.00 10.00 C ATOM 394 C4' C A 13 -7.919 6.663 -3.346 1.00 10.00 C ATOM 395 O4' C A 13 -7.078 5.650 -2.745 1.00 10.00 O ATOM 396 C3' C A 13 -9.296 6.342 -2.788 1.00 10.00 C ATOM 397 O3' C A 13 -10.317 6.907 -3.604 1.00 10.00 O ATOM 398 C2' C A 13 -9.317 4.822 -2.836 1.00 10.00 C ATOM 399 O2' C A 13 -9.683 4.364 -4.121 1.00 10.00 O ATOM 400 C1' C A 13 -7.851 4.476 -2.559 1.00 10.00 C ATOM 401 N1 C A 13 -7.618 3.953 -1.201 1.00 10.00 N ATOM 402 C2 C A 13 -7.886 2.602 -0.957 1.00 10.00 C ATOM 403 O2 C A 13 -8.354 1.906 -1.868 1.00 10.00 O ATOM 404 N3 C A 13 -7.648 2.090 0.272 1.00 10.00 N ATOM 405 C4 C A 13 -7.165 2.870 1.239 1.00 10.00 C ATOM 406 N4 C A 13 -6.960 2.314 2.435 1.00 10.00 N ATOM 407 C5 C A 13 -6.885 4.253 1.022 1.00 10.00 C ATOM 408 C6 C A 13 -7.129 4.749 -0.201 1.00 10.00 C ATOM 0 H5' C A 13 -6.753 8.394 -3.823 1.00 10.00 H new ATOM 0 H5'' C A 13 -8.207 8.738 -2.907 1.00 10.00 H new ATOM 0 H4' C A 13 -7.952 6.667 -4.435 1.00 10.00 H new ATOM 0 H3' C A 13 -9.476 6.744 -1.791 1.00 10.00 H new ATOM 0 H2' C A 13 -10.027 4.374 -2.141 1.00 10.00 H new ATOM 0 HO2' C A 13 -10.122 5.088 -4.614 1.00 10.00 H new ATOM 0 H1' C A 13 -7.563 3.684 -3.250 1.00 10.00 H new ATOM 0 H41 C A 13 -6.591 2.876 3.202 1.00 10.00 H new ATOM 0 H42 C A 13 -7.172 1.327 2.582 1.00 10.00 H new ATOM 0 H5 C A 13 -6.492 4.876 1.812 1.00 10.00 H new ATOM 0 H6 C A 13 -6.936 5.793 -0.399 1.00 10.00 H new ATOM 420 P C A 14 -11.662 7.487 -2.947 1.00 10.00 P ATOM 421 OP1 C A 14 -12.342 8.313 -3.971 1.00 10.00 O ATOM 422 OP2 C A 14 -11.315 8.096 -1.641 1.00 10.00 O ATOM 423 O5' C A 14 -12.547 6.195 -2.668 1.00 10.00 O ATOM 424 C5' C A 14 -13.232 5.535 -3.728 1.00 10.00 C ATOM 425 C4' C A 14 -13.612 4.137 -3.305 1.00 10.00 C ATOM 426 O4' C A 14 -12.503 3.555 -2.581 1.00 10.00 O ATOM 427 C3' C A 14 -14.783 4.047 -2.336 1.00 10.00 C ATOM 428 O3' C A 14 -16.027 3.916 -3.025 1.00 10.00 O ATOM 429 C2' C A 14 -14.507 2.782 -1.532 1.00 10.00 C ATOM 430 O2' C A 14 -15.169 1.676 -2.114 1.00 10.00 O ATOM 431 C1' C A 14 -12.989 2.608 -1.651 1.00 10.00 C ATOM 432 N1 C A 14 -12.279 2.811 -0.376 1.00 10.00 N ATOM 433 C2 C A 14 -11.992 1.703 0.425 1.00 10.00 C ATOM 434 O2 C A 14 -12.349 0.579 0.046 1.00 10.00 O ATOM 435 N3 C A 14 -11.333 1.880 1.595 1.00 10.00 N ATOM 436 C4 C A 14 -10.966 3.106 1.977 1.00 10.00 C ATOM 437 N4 C A 14 -10.339 3.232 3.150 1.00 10.00 N ATOM 438 C5 C A 14 -11.246 4.253 1.181 1.00 10.00 C ATOM 439 C6 C A 14 -11.901 4.064 0.026 1.00 10.00 C ATOM 0 H5' C A 14 -12.598 5.496 -4.613 1.00 10.00 H new ATOM 0 H5'' C A 14 -14.125 6.097 -4.000 1.00 10.00 H new ATOM 0 H4' C A 14 -13.882 3.633 -4.233 1.00 10.00 H new ATOM 0 H3' C A 14 -14.865 4.943 -1.721 1.00 10.00 H new ATOM 0 H2' C A 14 -14.853 2.848 -0.501 1.00 10.00 H new ATOM 0 HO2' C A 14 -15.867 1.996 -2.723 1.00 10.00 H new ATOM 0 HO3' C A 14 -16.757 3.859 -2.374 1.00 10.00 H new ATOM 0 H1' C A 14 -12.805 1.582 -1.969 1.00 10.00 H new ATOM 0 H41 C A 14 -10.044 4.153 3.474 1.00 10.00 H new ATOM 0 H42 C A 14 -10.155 2.407 3.721 1.00 10.00 H new ATOM 0 H5 C A 14 -10.942 5.240 1.496 1.00 10.00 H new ATOM 0 H6 C A 14 -12.134 4.914 -0.597 1.00 10.00 H new TER 452 C A 14