USER MOD reduce.3.24.130724 H: found=0, std=0, add=167, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 167 hydrogens (12 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 -25:sc= 0.153 USER MOD Single : A 1 G O5' : rot 4:sc= 0.379! USER MOD Single : A 2 G O2' : rot -114:sc= 0.175 USER MOD Single : A 3 A O2' : rot 180:sc= -1.51! USER MOD Single : A 4 G O2' : rot -21:sc= 0.168 USER MOD Single : A 5 A O2' : rot -12:sc= -0.215 USER MOD Single : A 6 G O2' : rot -69:sc= 0.348 USER MOD Single : A 7 H2U O2' : rot 180:sc= 0 USER MOD Single : A 8 G O2' : rot -13:sc= 0.184 USER MOD Single : A 9 G O2' : rot -47:sc= 1.36 USER MOD Single : A 10 A O2' : rot -11:sc= -1.56! USER MOD Single : A 11 A O2' : rot -148:sc= -1.97! USER MOD Single : A 12 C O2' : rot -18:sc= 0.175 USER MOD Single : A 13 U O2' : rot -170:sc= -1.74! USER MOD Single : A 14 C O2' : rot -112:sc= 0.302 USER MOD Single : A 15 C O2' : rot -18:sc= 0.13 USER MOD Single : A 15 C O3' : rot 180:sc= 0.168 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 24.406 18.063 19.781 1.00 0.00 O ATOM 2 C5' G A 1 23.759 17.838 18.526 1.00 0.00 C ATOM 3 C4' G A 1 22.583 18.788 18.316 1.00 0.00 C ATOM 4 O4' G A 1 21.579 18.584 19.313 1.00 0.00 O ATOM 5 C3' G A 1 23.039 20.242 18.395 1.00 0.00 C ATOM 6 O3' G A 1 23.423 20.744 17.112 1.00 0.00 O ATOM 7 C2' G A 1 21.791 20.930 18.936 1.00 0.00 C ATOM 8 O2' G A 1 20.874 21.257 17.888 1.00 0.00 O ATOM 9 C1' G A 1 21.217 19.857 19.855 1.00 0.00 C ATOM 10 N9 G A 1 21.730 19.998 21.232 1.00 0.00 N ATOM 11 C8 G A 1 22.614 19.198 21.907 1.00 0.00 C ATOM 12 N7 G A 1 22.890 19.594 23.117 1.00 0.00 N ATOM 13 C5 G A 1 22.126 20.748 23.255 1.00 0.00 C ATOM 14 C6 G A 1 22.005 21.624 24.365 1.00 0.00 C ATOM 15 O6 G A 1 22.548 21.541 25.465 1.00 0.00 O ATOM 16 N1 G A 1 21.134 22.672 24.103 1.00 0.00 N ATOM 17 C2 G A 1 20.457 22.857 22.914 1.00 0.00 C ATOM 18 N2 G A 1 19.671 23.932 22.839 1.00 0.00 N ATOM 19 N3 G A 1 20.567 22.031 21.866 1.00 0.00 N ATOM 20 C4 G A 1 21.416 21.005 22.112 1.00 0.00 C ATOM 0 H5' G A 1 23.407 16.808 18.478 1.00 0.00 H new ATOM 0 H5'' G A 1 24.479 17.967 17.718 1.00 0.00 H new ATOM 0 H4' G A 1 22.174 18.579 17.328 1.00 0.00 H new ATOM 0 H3' G A 1 23.923 20.399 19.013 1.00 0.00 H new ATOM 0 H2' G A 1 21.995 21.879 19.433 1.00 0.00 H new ATOM 0 HO2' G A 1 21.362 21.351 17.044 1.00 0.00 H new ATOM 0 HO5' G A 1 23.921 18.754 20.280 1.00 0.00 H new ATOM 0 H1' G A 1 20.133 19.958 19.909 1.00 0.00 H new ATOM 0 H8 G A 1 23.047 18.310 21.471 1.00 0.00 H new ATOM 0 H1 G A 1 20.983 23.357 24.844 1.00 0.00 H new ATOM 0 H21 G A 1 19.146 24.121 21.985 1.00 0.00 H new ATOM 0 H22 G A 1 19.595 24.565 23.635 1.00 0.00 H new ATOM 33 P G A 2 24.795 21.567 16.938 1.00 0.00 P ATOM 34 OP1 G A 2 24.945 21.945 15.515 1.00 0.00 O ATOM 35 OP2 G A 2 25.882 20.817 17.605 1.00 0.00 O ATOM 36 O5' G A 2 24.495 22.899 17.793 1.00 0.00 O ATOM 37 C5' G A 2 23.697 23.950 17.243 1.00 0.00 C ATOM 38 C4' G A 2 23.070 24.827 18.322 1.00 0.00 C ATOM 39 O4' G A 2 22.459 24.022 19.332 1.00 0.00 O ATOM 40 C3' G A 2 24.124 25.693 19.004 1.00 0.00 C ATOM 41 O3' G A 2 24.351 26.931 18.324 1.00 0.00 O ATOM 42 C2' G A 2 23.500 25.914 20.377 1.00 0.00 C ATOM 43 O2' G A 2 22.635 27.052 20.397 1.00 0.00 O ATOM 44 C1' G A 2 22.729 24.618 20.604 1.00 0.00 C ATOM 45 N9 G A 2 23.525 23.734 21.476 1.00 0.00 N ATOM 46 C8 G A 2 24.152 22.550 21.185 1.00 0.00 C ATOM 47 N7 G A 2 24.846 22.049 22.168 1.00 0.00 N ATOM 48 C5 G A 2 24.664 22.974 23.191 1.00 0.00 C ATOM 49 C6 G A 2 25.180 22.968 24.513 1.00 0.00 C ATOM 50 O6 G A 2 25.898 22.128 25.050 1.00 0.00 O ATOM 51 N1 G A 2 24.765 24.082 25.230 1.00 0.00 N ATOM 52 C2 G A 2 23.942 25.076 24.738 1.00 0.00 C ATOM 53 N2 G A 2 23.626 26.058 25.582 1.00 0.00 N ATOM 54 N3 G A 2 23.453 25.083 23.492 1.00 0.00 N ATOM 55 C4 G A 2 23.858 24.003 22.782 1.00 0.00 C ATOM 0 H5' G A 2 22.909 23.519 16.625 1.00 0.00 H new ATOM 0 H5'' G A 2 24.314 24.567 16.589 1.00 0.00 H new ATOM 0 H4' G A 2 22.327 25.455 17.830 1.00 0.00 H new ATOM 0 H3' G A 2 25.110 25.230 19.027 1.00 0.00 H new ATOM 0 H2' G A 2 24.237 26.123 21.152 1.00 0.00 H new ATOM 0 HO2' G A 2 23.015 27.741 20.981 1.00 0.00 H new ATOM 0 H1' G A 2 21.777 24.803 21.101 1.00 0.00 H new ATOM 0 H8 G A 2 24.077 22.071 20.220 1.00 0.00 H new ATOM 0 H1 G A 2 25.092 24.173 26.192 1.00 0.00 H new ATOM 0 H21 G A 2 23.021 26.820 25.275 1.00 0.00 H new ATOM 0 H22 G A 2 23.989 26.048 26.535 1.00 0.00 H new ATOM 67 P A A 3 25.617 27.858 18.682 1.00 0.00 P ATOM 68 OP1 A A 3 25.814 28.837 17.590 1.00 0.00 O ATOM 69 OP2 A A 3 26.748 26.987 19.070 1.00 0.00 O ATOM 70 O5' A A 3 25.111 28.648 19.990 1.00 0.00 O ATOM 71 C5' A A 3 24.374 29.868 19.864 1.00 0.00 C ATOM 72 C4' A A 3 24.067 30.501 21.216 1.00 0.00 C ATOM 73 O4' A A 3 23.436 29.559 22.089 1.00 0.00 O ATOM 74 C3' A A 3 25.330 30.996 21.912 1.00 0.00 C ATOM 75 O3' A A 3 25.703 32.315 21.505 1.00 0.00 O ATOM 76 C2' A A 3 24.884 30.948 23.369 1.00 0.00 C ATOM 77 O2' A A 3 24.084 32.082 23.713 1.00 0.00 O ATOM 78 C1' A A 3 24.078 29.654 23.362 1.00 0.00 C ATOM 79 N9 A A 3 24.980 28.505 23.569 1.00 0.00 N ATOM 80 C8 A A 3 25.411 27.569 22.665 1.00 0.00 C ATOM 81 N7 A A 3 26.230 26.677 23.149 1.00 0.00 N ATOM 82 C5 A A 3 26.348 27.055 24.482 1.00 0.00 C ATOM 83 C6 A A 3 27.073 26.527 25.562 1.00 0.00 C ATOM 84 N6 A A 3 27.837 25.440 25.460 1.00 0.00 N ATOM 85 N1 A A 3 26.969 27.149 26.744 1.00 0.00 N ATOM 86 C2 A A 3 26.206 28.222 26.873 1.00 0.00 C ATOM 87 N3 A A 3 25.478 28.810 25.936 1.00 0.00 N ATOM 88 C4 A A 3 25.595 28.167 24.751 1.00 0.00 C ATOM 0 H5' A A 3 23.440 29.673 19.336 1.00 0.00 H new ATOM 0 H5'' A A 3 24.942 30.572 19.256 1.00 0.00 H new ATOM 0 H4' A A 3 23.405 31.343 21.014 1.00 0.00 H new ATOM 0 H3' A A 3 26.221 30.409 21.690 1.00 0.00 H new ATOM 0 H2' A A 3 25.692 30.973 24.100 1.00 0.00 H new ATOM 0 HO2' A A 3 23.814 32.019 24.653 1.00 0.00 H new ATOM 0 H1' A A 3 23.337 29.650 24.162 1.00 0.00 H new ATOM 0 H8 A A 3 25.097 27.570 21.632 1.00 0.00 H new ATOM 0 H61 A A 3 28.345 25.095 26.275 1.00 0.00 H new ATOM 0 H62 A A 3 27.914 24.953 24.567 1.00 0.00 H new ATOM 0 H2 A A 3 26.173 28.670 27.855 1.00 0.00 H new ATOM 100 P G A 4 27.187 32.865 21.802 1.00 0.00 P ATOM 101 OP1 G A 4 27.235 34.296 21.430 1.00 0.00 O ATOM 102 OP2 G A 4 28.164 31.928 21.203 1.00 0.00 O ATOM 103 O5' G A 4 27.279 32.732 23.405 1.00 0.00 O ATOM 104 C5' G A 4 26.654 33.693 24.260 1.00 0.00 C ATOM 105 C4' G A 4 27.205 33.623 25.680 1.00 0.00 C ATOM 106 O4' G A 4 26.900 32.366 26.292 1.00 0.00 O ATOM 107 C3' G A 4 28.720 33.792 25.685 1.00 0.00 C ATOM 108 O3' G A 4 29.097 35.167 25.793 1.00 0.00 O ATOM 109 C2' G A 4 29.125 32.991 26.917 1.00 0.00 C ATOM 110 O2' G A 4 29.077 33.781 28.108 1.00 0.00 O ATOM 111 C1' G A 4 28.077 31.883 26.945 1.00 0.00 C ATOM 112 N9 G A 4 28.587 30.665 26.288 1.00 0.00 N ATOM 113 C8 G A 4 28.390 30.227 25.004 1.00 0.00 C ATOM 114 N7 G A 4 28.970 29.091 24.729 1.00 0.00 N ATOM 115 C5 G A 4 29.600 28.755 25.923 1.00 0.00 C ATOM 116 C6 G A 4 30.389 27.617 26.232 1.00 0.00 C ATOM 117 O6 G A 4 30.683 26.671 25.505 1.00 0.00 O ATOM 118 N1 G A 4 30.839 27.648 27.545 1.00 0.00 N ATOM 119 C2 G A 4 30.561 28.653 28.450 1.00 0.00 C ATOM 120 N2 G A 4 31.086 28.507 29.666 1.00 0.00 N ATOM 121 N3 G A 4 29.814 29.727 28.162 1.00 0.00 N ATOM 122 C4 G A 4 29.372 29.707 26.882 1.00 0.00 C ATOM 0 H5' G A 4 25.578 33.520 24.278 1.00 0.00 H new ATOM 0 H5'' G A 4 26.809 34.694 23.858 1.00 0.00 H new ATOM 0 H4' G A 4 26.735 34.431 26.240 1.00 0.00 H new ATOM 0 H3' G A 4 29.203 33.453 24.769 1.00 0.00 H new ATOM 0 H2' G A 4 30.151 32.625 26.872 1.00 0.00 H new ATOM 0 HO2' G A 4 29.124 34.731 27.872 1.00 0.00 H new ATOM 0 H1' G A 4 27.842 31.616 27.975 1.00 0.00 H new ATOM 0 H8 G A 4 27.804 30.776 24.281 1.00 0.00 H new ATOM 0 H1 G A 4 31.418 26.871 27.865 1.00 0.00 H new ATOM 0 H21 G A 4 30.919 29.214 30.382 1.00 0.00 H new ATOM 0 H22 G A 4 31.655 27.688 29.881 1.00 0.00 H new ATOM 134 P A A 5 30.602 35.631 25.457 1.00 0.00 P ATOM 135 OP1 A A 5 30.651 37.111 25.459 1.00 0.00 O ATOM 136 OP2 A A 5 31.055 34.892 24.257 1.00 0.00 O ATOM 137 O5' A A 5 31.404 35.083 26.741 1.00 0.00 O ATOM 138 C5' A A 5 32.745 34.603 26.617 1.00 0.00 C ATOM 139 C4' A A 5 33.198 33.845 27.862 1.00 0.00 C ATOM 140 O4' A A 5 32.348 32.715 28.077 1.00 0.00 O ATOM 141 C3' A A 5 34.632 33.346 27.715 1.00 0.00 C ATOM 142 O3' A A 5 35.580 34.296 28.209 1.00 0.00 O ATOM 143 C2' A A 5 34.605 32.080 28.565 1.00 0.00 C ATOM 144 O2' A A 5 34.863 32.363 29.942 1.00 0.00 O ATOM 145 C1' A A 5 33.178 31.584 28.354 1.00 0.00 C ATOM 146 N9 A A 5 33.142 30.622 27.237 1.00 0.00 N ATOM 147 C8 A A 5 32.410 30.668 26.079 1.00 0.00 C ATOM 148 N7 A A 5 32.601 29.658 25.277 1.00 0.00 N ATOM 149 C5 A A 5 33.535 28.884 25.957 1.00 0.00 C ATOM 150 C6 A A 5 34.168 27.668 25.652 1.00 0.00 C ATOM 151 N6 A A 5 33.951 26.995 24.522 1.00 0.00 N ATOM 152 N1 A A 5 35.037 27.186 26.548 1.00 0.00 N ATOM 153 C2 A A 5 35.278 27.839 27.674 1.00 0.00 C ATOM 154 N3 A A 5 34.747 28.985 28.071 1.00 0.00 N ATOM 155 C4 A A 5 33.872 29.460 27.154 1.00 0.00 C ATOM 0 H5' A A 5 33.416 35.444 26.440 1.00 0.00 H new ATOM 0 H5'' A A 5 32.817 33.949 25.748 1.00 0.00 H new ATOM 0 H4' A A 5 33.144 34.533 28.706 1.00 0.00 H new ATOM 0 H3' A A 5 34.937 33.179 26.682 1.00 0.00 H new ATOM 0 H2' A A 5 35.368 31.353 28.288 1.00 0.00 H new ATOM 0 HO2' A A 5 35.201 33.279 30.030 1.00 0.00 H new ATOM 0 H1' A A 5 32.815 31.075 29.247 1.00 0.00 H new ATOM 0 H8 A A 5 31.730 31.475 25.850 1.00 0.00 H new ATOM 0 H61 A A 5 34.438 26.115 24.351 1.00 0.00 H new ATOM 0 H62 A A 5 33.298 27.360 23.829 1.00 0.00 H new ATOM 0 H2 A A 5 35.990 27.384 28.347 1.00 0.00 H new ATOM 167 P G A 6 37.095 34.319 27.667 1.00 0.00 P ATOM 168 OP1 G A 6 37.917 35.159 28.566 1.00 0.00 O ATOM 169 OP2 G A 6 37.068 34.617 26.218 1.00 0.00 O ATOM 170 O5' G A 6 37.562 32.789 27.855 1.00 0.00 O ATOM 171 C5' G A 6 38.049 32.318 29.115 1.00 0.00 C ATOM 172 C4' G A 6 38.684 30.938 28.983 1.00 0.00 C ATOM 173 O4' G A 6 37.722 29.986 28.523 1.00 0.00 O ATOM 174 C3' G A 6 39.846 30.968 27.994 1.00 0.00 C ATOM 175 O3' G A 6 41.091 31.193 28.661 1.00 0.00 O ATOM 176 C2' G A 6 39.780 29.584 27.357 1.00 0.00 C ATOM 177 O2' G A 6 40.577 28.628 28.062 1.00 0.00 O ATOM 178 C1' G A 6 38.296 29.242 27.446 1.00 0.00 C ATOM 179 N9 G A 6 37.611 29.558 26.178 1.00 0.00 N ATOM 180 C8 G A 6 36.906 30.685 25.844 1.00 0.00 C ATOM 181 N7 G A 6 36.398 30.670 24.643 1.00 0.00 N ATOM 182 C5 G A 6 36.796 29.435 24.144 1.00 0.00 C ATOM 183 C6 G A 6 36.537 28.853 22.875 1.00 0.00 C ATOM 184 O6 G A 6 35.886 29.312 21.939 1.00 0.00 O ATOM 185 N1 G A 6 37.117 27.598 22.762 1.00 0.00 N ATOM 186 C2 G A 6 37.855 26.976 23.751 1.00 0.00 C ATOM 187 N2 G A 6 38.344 25.769 23.469 1.00 0.00 N ATOM 188 N3 G A 6 38.099 27.524 24.948 1.00 0.00 N ATOM 189 C4 G A 6 37.539 28.750 25.070 1.00 0.00 C ATOM 0 H5' G A 6 37.229 32.276 29.832 1.00 0.00 H new ATOM 0 H5'' G A 6 38.782 33.022 29.510 1.00 0.00 H new ATOM 0 H4' G A 6 39.050 30.649 29.968 1.00 0.00 H new ATOM 0 H3' G A 6 39.777 31.775 27.264 1.00 0.00 H new ATOM 0 H2' G A 6 40.171 29.568 26.340 1.00 0.00 H new ATOM 0 HO2' G A 6 41.526 28.841 27.942 1.00 0.00 H new ATOM 0 H1' G A 6 38.177 28.174 27.629 1.00 0.00 H new ATOM 0 H8 G A 6 36.781 31.518 26.520 1.00 0.00 H new ATOM 0 H1 G A 6 36.989 27.097 21.883 1.00 0.00 H new ATOM 0 H21 G A 6 38.896 25.267 24.165 1.00 0.00 H new ATOM 0 H22 G A 6 38.167 25.347 22.557 1.00 0.00 H new HETATM 201 P H2U A 7 42.402 31.604 27.825 1.00 0.00 P HETATM 202 OP1 H2U A 7 43.522 31.815 28.769 1.00 0.00 O HETATM 203 OP2 H2U A 7 42.033 32.694 26.893 1.00 0.00 O HETATM 204 O5' H2U A 7 42.687 30.267 26.974 1.00 0.00 O HETATM 205 C5' H2U A 7 43.276 30.345 25.672 1.00 0.00 C HETATM 206 C4' H2U A 7 42.670 29.344 24.696 1.00 0.00 C HETATM 207 O4' H2U A 7 41.253 29.514 24.600 1.00 0.00 O HETATM 208 C3' H2U A 7 43.262 29.510 23.300 1.00 0.00 C HETATM 209 O3' H2U A 7 43.367 28.259 22.614 1.00 0.00 O HETATM 210 C1' H2U A 7 40.949 30.022 23.298 1.00 0.00 C HETATM 211 C2' H2U A 7 42.253 30.427 22.619 1.00 0.00 C HETATM 212 O2' H2U A 7 42.196 30.195 21.209 1.00 0.00 O HETATM 213 N1 H2U A 7 40.026 31.170 23.388 1.00 0.00 N HETATM 214 C2 H2U A 7 39.039 31.287 22.426 1.00 0.00 C HETATM 215 O2 H2U A 7 38.791 30.390 21.625 1.00 0.00 O HETATM 216 N3 H2U A 7 38.391 32.514 22.366 1.00 0.00 N HETATM 217 C4 H2U A 7 38.687 33.604 23.174 1.00 0.00 C HETATM 218 O4 H2U A 7 37.966 34.598 23.194 1.00 0.00 O HETATM 219 C5 H2U A 7 39.940 33.546 24.008 1.00 0.00 C HETATM 220 C6 H2U A 7 40.151 32.117 24.497 1.00 0.00 C HETATM 0 HO2' H2U A 7 41.538 30.799 20.804 1.00 0.00 H new HETATM 0 H5'' H2U A 7 43.148 31.354 25.279 1.00 0.00 H new HETATM 0 HN3 H2U A 7 37.644 32.622 21.679 1.00 0.00 H new HETATM 0 H62 H2U A 7 39.420 31.879 25.270 1.00 0.00 H new HETATM 0 H61 H2U A 7 41.137 32.024 24.952 1.00 0.00 H new HETATM 0 H52 H2U A 7 40.798 33.872 23.420 1.00 0.00 H new HETATM 0 H51 H2U A 7 39.858 34.225 24.857 1.00 0.00 H new HETATM 0 H5' H2U A 7 44.348 30.167 25.751 1.00 0.00 H new HETATM 0 H4' H2U A 7 42.900 28.350 25.080 1.00 0.00 H new HETATM 0 H3' H2U A 7 44.277 29.907 23.312 1.00 0.00 H new HETATM 0 H2' H2U A 7 42.493 31.486 22.716 1.00 0.00 H new HETATM 0 H1' H2U A 7 40.453 29.251 22.708 1.00 0.00 H new ATOM 233 P G A 8 44.578 27.967 21.595 1.00 0.00 P ATOM 234 OP1 G A 8 45.198 29.259 21.226 1.00 0.00 O ATOM 235 OP2 G A 8 44.101 27.072 20.518 1.00 0.00 O ATOM 236 O5' G A 8 45.613 27.145 22.514 1.00 0.00 O ATOM 237 C5' G A 8 46.691 26.412 21.926 1.00 0.00 C ATOM 238 C4' G A 8 47.311 25.410 22.893 1.00 0.00 C ATOM 239 O4' G A 8 47.801 26.087 24.054 1.00 0.00 O ATOM 240 C3' G A 8 46.273 24.384 23.335 1.00 0.00 C ATOM 241 O3' G A 8 46.285 23.208 22.523 1.00 0.00 O ATOM 242 C2' G A 8 46.703 24.074 24.765 1.00 0.00 C ATOM 243 O2' G A 8 47.638 22.992 24.803 1.00 0.00 O ATOM 244 C1' G A 8 47.355 25.378 25.213 1.00 0.00 C ATOM 245 N9 G A 8 46.404 26.193 25.992 1.00 0.00 N ATOM 246 C8 G A 8 45.496 27.120 25.550 1.00 0.00 C ATOM 247 N7 G A 8 44.780 27.669 26.492 1.00 0.00 N ATOM 248 C5 G A 8 45.243 27.051 27.648 1.00 0.00 C ATOM 249 C6 G A 8 44.838 27.236 28.995 1.00 0.00 C ATOM 250 O6 G A 8 43.975 27.990 29.439 1.00 0.00 O ATOM 251 N1 G A 8 45.559 26.427 29.863 1.00 0.00 N ATOM 252 C2 G A 8 46.549 25.543 29.482 1.00 0.00 C ATOM 253 N2 G A 8 47.142 24.852 30.454 1.00 0.00 N ATOM 254 N3 G A 8 46.930 25.365 28.211 1.00 0.00 N ATOM 255 C4 G A 8 46.237 26.153 27.356 1.00 0.00 C ATOM 0 H5' G A 8 47.458 27.109 21.588 1.00 0.00 H new ATOM 0 H5'' G A 8 46.329 25.884 21.044 1.00 0.00 H new ATOM 0 H4' G A 8 48.130 24.907 22.379 1.00 0.00 H new ATOM 0 H3' G A 8 45.252 24.756 23.251 1.00 0.00 H new ATOM 0 H2' G A 8 45.877 23.762 25.403 1.00 0.00 H new ATOM 0 HO2' G A 8 47.646 22.536 23.936 1.00 0.00 H new ATOM 0 H1' G A 8 48.206 25.161 25.858 1.00 0.00 H new ATOM 0 H8 G A 8 45.383 27.375 24.507 1.00 0.00 H new ATOM 0 H1 G A 8 45.341 26.490 30.857 1.00 0.00 H new ATOM 0 H21 G A 8 47.880 24.185 30.228 1.00 0.00 H new ATOM 0 H22 G A 8 46.858 24.990 31.424 1.00 0.00 H new ATOM 267 P G A 9 45.681 23.217 21.031 1.00 0.00 P ATOM 268 OP1 G A 9 46.806 23.223 20.069 1.00 0.00 O ATOM 269 OP2 G A 9 44.647 24.272 20.931 1.00 0.00 O ATOM 270 O5' G A 9 44.956 21.782 20.958 1.00 0.00 O ATOM 271 C5' G A 9 43.689 21.576 21.588 1.00 0.00 C ATOM 272 C4' G A 9 43.511 20.151 22.100 1.00 0.00 C ATOM 273 O4' G A 9 44.527 19.848 23.060 1.00 0.00 O ATOM 274 C3' G A 9 42.135 19.981 22.735 1.00 0.00 C ATOM 275 O3' G A 9 41.263 19.204 21.909 1.00 0.00 O ATOM 276 C2' G A 9 42.412 19.272 24.057 1.00 0.00 C ATOM 277 O2' G A 9 42.043 17.892 23.993 1.00 0.00 O ATOM 278 C1' G A 9 43.910 19.441 24.284 1.00 0.00 C ATOM 279 N9 G A 9 44.176 20.433 25.342 1.00 0.00 N ATOM 280 C8 G A 9 44.260 21.798 25.237 1.00 0.00 C ATOM 281 N7 G A 9 44.523 22.411 26.358 1.00 0.00 N ATOM 282 C5 G A 9 44.616 21.372 27.278 1.00 0.00 C ATOM 283 C6 G A 9 44.880 21.420 28.672 1.00 0.00 C ATOM 284 O6 G A 9 45.116 22.402 29.373 1.00 0.00 O ATOM 285 N1 G A 9 44.882 20.153 29.236 1.00 0.00 N ATOM 286 C2 G A 9 44.656 18.979 28.544 1.00 0.00 C ATOM 287 N2 G A 9 44.686 17.851 29.254 1.00 0.00 N ATOM 288 N3 G A 9 44.411 18.930 27.229 1.00 0.00 N ATOM 289 C4 G A 9 44.405 20.163 26.670 1.00 0.00 C ATOM 0 H5' G A 9 42.894 21.805 20.879 1.00 0.00 H new ATOM 0 H5'' G A 9 43.584 22.272 22.420 1.00 0.00 H new ATOM 0 H4' G A 9 43.595 19.465 21.257 1.00 0.00 H new ATOM 0 H3' G A 9 41.629 20.937 22.871 1.00 0.00 H new ATOM 0 H2' G A 9 41.828 19.691 24.877 1.00 0.00 H new ATOM 0 HO2' G A 9 41.153 17.810 23.590 1.00 0.00 H new ATOM 0 H1' G A 9 44.328 18.488 24.608 1.00 0.00 H new ATOM 0 H8 G A 9 44.120 22.322 24.303 1.00 0.00 H new ATOM 0 H1 G A 9 45.064 20.083 30.237 1.00 0.00 H new ATOM 0 H21 G A 9 44.526 16.955 28.794 1.00 0.00 H new ATOM 0 H22 G A 9 44.869 17.884 30.257 1.00 0.00 H new ATOM 301 P A A 10 40.057 19.890 21.093 1.00 0.00 P ATOM 302 OP1 A A 10 40.529 20.188 19.722 1.00 0.00 O ATOM 303 OP2 A A 10 39.481 20.980 21.911 1.00 0.00 O ATOM 304 O5' A A 10 38.984 18.693 21.009 1.00 0.00 O ATOM 305 C5' A A 10 37.909 18.617 21.950 1.00 0.00 C ATOM 306 C4' A A 10 38.258 17.760 23.161 1.00 0.00 C ATOM 307 O4' A A 10 39.439 18.254 23.799 1.00 0.00 O ATOM 308 C3' A A 10 37.119 17.755 24.176 1.00 0.00 C ATOM 309 O3' A A 10 36.255 16.630 23.997 1.00 0.00 O ATOM 310 C2' A A 10 37.857 17.674 25.509 1.00 0.00 C ATOM 311 O2' A A 10 38.004 16.320 25.944 1.00 0.00 O ATOM 312 C1' A A 10 39.206 18.318 25.209 1.00 0.00 C ATOM 313 N9 A A 10 39.229 19.716 25.679 1.00 0.00 N ATOM 314 C8 A A 10 39.917 20.260 26.734 1.00 0.00 C ATOM 315 N7 A A 10 39.752 21.545 26.888 1.00 0.00 N ATOM 316 C5 A A 10 38.882 21.877 25.855 1.00 0.00 C ATOM 317 C6 A A 10 38.295 23.085 25.446 1.00 0.00 C ATOM 318 N6 A A 10 38.501 24.246 26.068 1.00 0.00 N ATOM 319 N1 A A 10 37.482 23.054 24.382 1.00 0.00 N ATOM 320 C2 A A 10 37.248 21.917 23.747 1.00 0.00 C ATOM 321 N3 A A 10 37.739 20.721 24.036 1.00 0.00 N ATOM 322 C4 A A 10 38.557 20.772 25.113 1.00 0.00 C ATOM 0 H5' A A 10 37.028 18.205 21.458 1.00 0.00 H new ATOM 0 H5'' A A 10 37.648 19.622 22.282 1.00 0.00 H new ATOM 0 H4' A A 10 38.426 16.744 22.805 1.00 0.00 H new ATOM 0 H3' A A 10 36.468 18.625 24.090 1.00 0.00 H new ATOM 0 H2' A A 10 37.324 18.172 26.319 1.00 0.00 H new ATOM 0 HO2' A A 10 37.444 15.736 25.391 1.00 0.00 H new ATOM 0 H1' A A 10 39.995 17.781 25.735 1.00 0.00 H new ATOM 0 H8 A A 10 40.546 19.671 27.386 1.00 0.00 H new ATOM 0 H61 A A 10 38.048 25.094 25.728 1.00 0.00 H new ATOM 0 H62 A A 10 39.111 24.286 26.884 1.00 0.00 H new ATOM 0 H2 A A 10 36.582 21.970 22.898 1.00 0.00 H new ATOM 334 P A A 11 34.681 16.725 24.318 1.00 0.00 P ATOM 335 OP1 A A 11 34.162 15.347 24.463 1.00 0.00 O ATOM 336 OP2 A A 11 34.054 17.627 23.326 1.00 0.00 O ATOM 337 O5' A A 11 34.649 17.448 25.756 1.00 0.00 O ATOM 338 C5' A A 11 35.163 16.806 26.925 1.00 0.00 C ATOM 339 C4' A A 11 35.538 17.810 28.009 1.00 0.00 C ATOM 340 O4' A A 11 36.452 18.786 27.505 1.00 0.00 O ATOM 341 C3' A A 11 34.304 18.541 28.528 1.00 0.00 C ATOM 342 O3' A A 11 33.744 17.882 29.668 1.00 0.00 O ATOM 343 C2' A A 11 34.880 19.904 28.895 1.00 0.00 C ATOM 344 O2' A A 11 35.470 19.890 30.198 1.00 0.00 O ATOM 345 C1' A A 11 35.942 20.086 27.816 1.00 0.00 C ATOM 346 N9 A A 11 35.363 20.710 26.612 1.00 0.00 N ATOM 347 C8 A A 11 34.841 20.106 25.497 1.00 0.00 C ATOM 348 N7 A A 11 34.377 20.927 24.597 1.00 0.00 N ATOM 349 C5 A A 11 34.613 22.177 25.161 1.00 0.00 C ATOM 350 C6 A A 11 34.358 23.485 24.719 1.00 0.00 C ATOM 351 N6 A A 11 33.786 23.762 23.547 1.00 0.00 N ATOM 352 N1 A A 11 34.721 24.493 25.523 1.00 0.00 N ATOM 353 C2 A A 11 35.304 24.245 26.686 1.00 0.00 C ATOM 354 N3 A A 11 35.592 23.063 27.209 1.00 0.00 N ATOM 355 C4 A A 11 35.215 22.058 26.385 1.00 0.00 C ATOM 0 H5' A A 11 36.040 16.216 26.659 1.00 0.00 H new ATOM 0 H5'' A A 11 34.418 16.112 27.315 1.00 0.00 H new ATOM 0 H4' A A 11 36.003 17.247 28.818 1.00 0.00 H new ATOM 0 H3' A A 11 33.485 18.588 27.810 1.00 0.00 H new ATOM 0 H2' A A 11 34.137 20.701 28.933 1.00 0.00 H new ATOM 0 HO2' A A 11 35.367 20.772 30.613 1.00 0.00 H new ATOM 0 H1' A A 11 36.737 20.742 28.170 1.00 0.00 H new ATOM 0 H8 A A 11 34.816 19.033 25.374 1.00 0.00 H new ATOM 0 H61 A A 11 33.624 24.732 23.275 1.00 0.00 H new ATOM 0 H62 A A 11 33.511 23.004 22.922 1.00 0.00 H new ATOM 0 H2 A A 11 35.576 25.107 27.277 1.00 0.00 H new ATOM 367 P C A 12 32.231 18.187 30.125 1.00 0.00 P ATOM 368 OP1 C A 12 31.883 17.285 31.246 1.00 0.00 O ATOM 369 OP2 C A 12 31.371 18.198 28.920 1.00 0.00 O ATOM 370 O5' C A 12 32.329 19.694 30.684 1.00 0.00 O ATOM 371 C5' C A 12 33.029 19.978 31.897 1.00 0.00 C ATOM 372 C4' C A 12 32.834 21.420 32.354 1.00 0.00 C ATOM 373 O4' C A 12 33.341 22.346 31.390 1.00 0.00 O ATOM 374 C3' C A 12 31.357 21.734 32.564 1.00 0.00 C ATOM 375 O3' C A 12 30.925 21.356 33.873 1.00 0.00 O ATOM 376 C2' C A 12 31.344 23.247 32.368 1.00 0.00 C ATOM 377 O2' C A 12 31.641 23.929 33.589 1.00 0.00 O ATOM 378 C1' C A 12 32.442 23.456 31.330 1.00 0.00 C ATOM 379 N1 C A 12 31.858 23.591 29.981 1.00 0.00 N ATOM 380 C2 C A 12 31.908 24.845 29.398 1.00 0.00 C ATOM 381 O2 C A 12 32.436 25.785 29.988 1.00 0.00 O ATOM 382 N3 C A 12 31.335 25.016 28.179 1.00 0.00 N ATOM 383 C4 C A 12 30.731 23.997 27.556 1.00 0.00 C ATOM 384 N4 C A 12 30.121 24.242 26.397 1.00 0.00 N ATOM 385 C5 C A 12 30.677 22.693 28.148 1.00 0.00 C ATOM 386 C6 C A 12 31.255 22.537 29.359 1.00 0.00 C ATOM 0 H5' C A 12 34.092 19.785 31.754 1.00 0.00 H new ATOM 0 H5'' C A 12 32.685 19.302 32.679 1.00 0.00 H new ATOM 0 H4' C A 12 33.380 21.523 33.292 1.00 0.00 H new ATOM 0 H3' C A 12 30.681 21.199 31.897 1.00 0.00 H new ATOM 0 H2' C A 12 30.376 23.638 32.056 1.00 0.00 H new ATOM 0 HO2' C A 12 31.510 23.319 34.345 1.00 0.00 H new ATOM 0 H1' C A 12 32.986 24.376 31.544 1.00 0.00 H new ATOM 0 H41 C A 12 29.652 23.486 25.898 1.00 0.00 H new ATOM 0 H42 C A 12 30.123 25.185 26.009 1.00 0.00 H new ATOM 0 H5 C A 12 30.194 21.868 27.646 1.00 0.00 H new ATOM 0 H6 C A 12 31.240 21.570 29.839 1.00 0.00 H new ATOM 398 P U A 13 29.386 20.967 34.138 1.00 0.00 P ATOM 399 OP1 U A 13 29.252 20.532 35.546 1.00 0.00 O ATOM 400 OP2 U A 13 28.938 20.065 33.053 1.00 0.00 O ATOM 401 O5' U A 13 28.647 22.385 33.954 1.00 0.00 O ATOM 402 C5' U A 13 28.586 23.318 35.035 1.00 0.00 C ATOM 403 C4' U A 13 27.873 24.609 34.648 1.00 0.00 C ATOM 404 O4' U A 13 28.551 25.262 33.571 1.00 0.00 O ATOM 405 C3' U A 13 26.443 24.356 34.183 1.00 0.00 C ATOM 406 O3' U A 13 25.515 24.274 35.268 1.00 0.00 O ATOM 407 C2' U A 13 26.190 25.586 33.316 1.00 0.00 C ATOM 408 O2' U A 13 25.748 26.705 34.090 1.00 0.00 O ATOM 409 C1' U A 13 27.567 25.847 32.714 1.00 0.00 C ATOM 410 N1 U A 13 27.642 25.292 31.351 1.00 0.00 N ATOM 411 C2 U A 13 27.565 26.174 30.289 1.00 0.00 C ATOM 412 O2 U A 13 27.509 27.392 30.440 1.00 0.00 O ATOM 413 N3 U A 13 27.604 25.607 29.023 1.00 0.00 N ATOM 414 C4 U A 13 27.709 24.251 28.738 1.00 0.00 C ATOM 415 O4 U A 13 27.744 23.854 27.576 1.00 0.00 O ATOM 416 C5 U A 13 27.790 23.414 29.912 1.00 0.00 C ATOM 417 C6 U A 13 27.754 23.946 31.152 1.00 0.00 C ATOM 0 H5' U A 13 29.597 23.550 35.368 1.00 0.00 H new ATOM 0 H5'' U A 13 28.070 22.860 35.878 1.00 0.00 H new ATOM 0 H4' U A 13 27.869 25.229 35.544 1.00 0.00 H new ATOM 0 H3' U A 13 26.315 23.404 33.667 1.00 0.00 H new ATOM 0 H2' U A 13 25.404 25.434 32.576 1.00 0.00 H new ATOM 0 HO2' U A 13 25.446 27.419 33.490 1.00 0.00 H new ATOM 0 H1' U A 13 27.750 26.919 32.637 1.00 0.00 H new ATOM 0 H3 U A 13 27.551 26.244 28.228 1.00 0.00 H new ATOM 0 H5 U A 13 27.881 22.344 29.796 1.00 0.00 H new ATOM 0 H6 U A 13 27.815 23.291 32.008 1.00 0.00 H new ATOM 428 P C A 14 24.115 23.503 35.077 1.00 0.00 P ATOM 429 OP1 C A 14 23.355 23.582 36.344 1.00 0.00 O ATOM 430 OP2 C A 14 24.389 22.174 34.485 1.00 0.00 O ATOM 431 O5' C A 14 23.362 24.407 33.977 1.00 0.00 O ATOM 432 C5' C A 14 22.976 25.749 34.282 1.00 0.00 C ATOM 433 C4' C A 14 22.596 26.537 33.033 1.00 0.00 C ATOM 434 O4' C A 14 23.683 26.596 32.106 1.00 0.00 O ATOM 435 C3' C A 14 21.424 25.879 32.310 1.00 0.00 C ATOM 436 O3' C A 14 20.171 26.294 32.861 1.00 0.00 O ATOM 437 C2' C A 14 21.621 26.389 30.886 1.00 0.00 C ATOM 438 O2' C A 14 20.988 27.656 30.692 1.00 0.00 O ATOM 439 C1' C A 14 23.139 26.498 30.786 1.00 0.00 C ATOM 440 N1 C A 14 23.699 25.332 30.077 1.00 0.00 N ATOM 441 C2 C A 14 24.143 25.536 28.784 1.00 0.00 C ATOM 442 O2 C A 14 24.104 26.659 28.286 1.00 0.00 O ATOM 443 N3 C A 14 24.636 24.477 28.091 1.00 0.00 N ATOM 444 C4 C A 14 24.694 23.260 28.647 1.00 0.00 C ATOM 445 N4 C A 14 25.187 22.252 27.930 1.00 0.00 N ATOM 446 C5 C A 14 24.245 23.041 29.990 1.00 0.00 C ATOM 447 C6 C A 14 23.755 24.102 30.666 1.00 0.00 C ATOM 0 H5' C A 14 23.796 26.254 34.793 1.00 0.00 H new ATOM 0 H5'' C A 14 22.132 25.735 34.971 1.00 0.00 H new ATOM 0 H4' C A 14 22.329 27.539 33.368 1.00 0.00 H new ATOM 0 H3' C A 14 21.402 24.792 32.387 1.00 0.00 H new ATOM 0 H2' C A 14 21.182 25.742 30.126 1.00 0.00 H new ATOM 0 HO2' C A 14 20.230 27.553 30.080 1.00 0.00 H new ATOM 0 H1' C A 14 23.403 27.389 30.216 1.00 0.00 H new ATOM 0 H41 C A 14 25.240 21.317 28.334 1.00 0.00 H new ATOM 0 H42 C A 14 25.511 22.415 26.977 1.00 0.00 H new ATOM 0 H5 C A 14 24.297 22.063 30.445 1.00 0.00 H new ATOM 0 H6 C A 14 23.405 23.977 31.680 1.00 0.00 H new ATOM 459 P C A 15 18.868 25.360 32.723 1.00 0.00 P ATOM 460 OP1 C A 15 17.885 25.785 33.745 1.00 0.00 O ATOM 461 OP2 C A 15 19.305 23.946 32.694 1.00 0.00 O ATOM 462 O5' C A 15 18.314 25.749 31.263 1.00 0.00 O ATOM 463 C5' C A 15 17.729 27.031 31.014 1.00 0.00 C ATOM 464 C4' C A 15 17.412 27.250 29.537 1.00 0.00 C ATOM 465 O4' C A 15 18.616 27.278 28.766 1.00 0.00 O ATOM 466 C3' C A 15 16.515 26.148 28.984 1.00 0.00 C ATOM 467 O3' C A 15 15.129 26.448 29.164 1.00 0.00 O ATOM 468 C2' C A 15 16.920 26.145 27.513 1.00 0.00 C ATOM 469 O2' C A 15 16.221 27.148 26.771 1.00 0.00 O ATOM 470 C1' C A 15 18.408 26.467 27.607 1.00 0.00 C ATOM 471 N1 C A 15 19.210 25.232 27.706 1.00 0.00 N ATOM 472 C2 C A 15 19.835 24.774 26.561 1.00 0.00 C ATOM 473 O2 C A 15 19.706 25.381 25.500 1.00 0.00 O ATOM 474 N3 C A 15 20.574 23.637 26.638 1.00 0.00 N ATOM 475 C4 C A 15 20.696 22.974 27.795 1.00 0.00 C ATOM 476 N4 C A 15 21.426 21.858 27.834 1.00 0.00 N ATOM 477 C5 C A 15 20.052 23.439 28.988 1.00 0.00 C ATOM 478 C6 C A 15 19.321 24.570 28.894 1.00 0.00 C ATOM 0 H5' C A 15 18.410 27.810 31.356 1.00 0.00 H new ATOM 0 H5'' C A 15 16.814 27.129 31.598 1.00 0.00 H new ATOM 0 H4' C A 15 16.892 28.205 29.463 1.00 0.00 H new ATOM 0 H3' C A 15 16.635 25.183 29.477 1.00 0.00 H new ATOM 0 H2' C A 15 16.694 25.212 26.996 1.00 0.00 H new ATOM 0 HO2' C A 15 15.435 27.441 27.277 1.00 0.00 H new ATOM 0 HO3' C A 15 14.586 25.720 28.796 1.00 0.00 H new ATOM 0 H1' C A 15 18.724 26.996 26.708 1.00 0.00 H new ATOM 0 H41 C A 15 21.526 21.344 28.710 1.00 0.00 H new ATOM 0 H42 C A 15 21.884 21.518 26.988 1.00 0.00 H new ATOM 0 H5 C A 15 20.148 22.907 29.923 1.00 0.00 H new ATOM 0 H6 C A 15 18.818 24.955 29.769 1.00 0.00 H new TER 491 C A 15