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 180:sc= -0.045 USER MOD Single : A 1 G O5' : rot -23:sc= -0.946! USER MOD Single : A 2 G O2' : rot -22:sc= 0.194 USER MOD Single : A 3 A O2' : rot -160:sc= -2.01! USER MOD Single : A 4 G O2' : rot -70:sc= 0.912 USER MOD Single : A 5 A O2' : rot -13:sc= 0.18 USER MOD Single : A 6 G O2' : rot -66:sc= 0.749 USER MOD Single : A 7 H2U O2' : rot 180:sc= 0 USER MOD Single : A 8 G O2' : rot -12:sc= 0.258 USER MOD Single : A 9 G O2' : rot -57:sc= 0.632 USER MOD Single : A 10 A O2' : rot -8:sc= 0.259 USER MOD Single : A 11 A O2' : rot 180:sc= -2.32! USER MOD Single : A 12 C O2' : rot -17:sc= 0.148 USER MOD Single : A 13 U O2' : rot 180:sc= -1.61! USER MOD Single : A 14 C O2' : rot 180:sc= -1.12 USER MOD Single : A 15 C O2' : rot -25:sc= 0.168 USER MOD Single : A 15 C O3' : rot 180:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 23.393 17.520 19.855 1.00 0.00 O ATOM 2 C5' G A 1 22.971 17.670 18.497 1.00 0.00 C ATOM 3 C4' G A 1 22.043 18.865 18.307 1.00 0.00 C ATOM 4 O4' G A 1 20.893 18.754 19.149 1.00 0.00 O ATOM 5 C3' G A 1 22.746 20.173 18.655 1.00 0.00 C ATOM 6 O3' G A 1 23.448 20.729 17.541 1.00 0.00 O ATOM 7 C2' G A 1 21.560 21.037 19.074 1.00 0.00 C ATOM 8 O2' G A 1 20.873 21.571 17.940 1.00 0.00 O ATOM 9 C1' G A 1 20.716 20.007 19.816 1.00 0.00 C ATOM 10 N9 G A 1 21.143 19.913 21.225 1.00 0.00 N ATOM 11 C8 G A 1 21.912 18.949 21.824 1.00 0.00 C ATOM 12 N7 G A 1 22.172 19.168 23.083 1.00 0.00 N ATOM 13 C5 G A 1 21.524 20.372 23.338 1.00 0.00 C ATOM 14 C6 G A 1 21.449 21.113 24.546 1.00 0.00 C ATOM 15 O6 G A 1 21.965 20.856 25.631 1.00 0.00 O ATOM 16 N1 G A 1 20.695 22.268 24.389 1.00 0.00 N ATOM 17 C2 G A 1 20.089 22.662 23.212 1.00 0.00 C ATOM 18 N2 G A 1 19.409 23.808 23.250 1.00 0.00 N ATOM 19 N3 G A 1 20.158 21.963 22.072 1.00 0.00 N ATOM 20 C4 G A 1 20.890 20.833 22.214 1.00 0.00 C ATOM 0 H5' G A 1 22.461 16.762 18.175 1.00 0.00 H new ATOM 0 H5'' G A 1 23.846 17.787 17.858 1.00 0.00 H new ATOM 0 H4' G A 1 21.748 18.869 17.258 1.00 0.00 H new ATOM 0 H3' G A 1 23.521 20.072 19.415 1.00 0.00 H new ATOM 0 H2' G A 1 21.820 21.917 19.663 1.00 0.00 H new ATOM 0 HO2' G A 1 20.118 22.118 18.243 1.00 0.00 H new ATOM 0 HO5' G A 1 23.323 18.382 20.316 1.00 0.00 H new ATOM 0 H1' G A 1 19.664 20.294 19.814 1.00 0.00 H new ATOM 0 H8 G A 1 22.273 18.079 21.296 1.00 0.00 H new ATOM 0 H1 G A 1 20.580 22.871 25.204 1.00 0.00 H new ATOM 0 H21 G A 1 18.940 24.151 22.412 1.00 0.00 H new ATOM 0 H22 G A 1 19.358 24.342 24.117 1.00 0.00 H new ATOM 33 P G A 2 24.802 21.570 17.773 1.00 0.00 P ATOM 34 OP1 G A 2 25.361 21.939 16.453 1.00 0.00 O ATOM 35 OP2 G A 2 25.649 20.842 18.744 1.00 0.00 O ATOM 36 O5' G A 2 24.259 22.907 18.487 1.00 0.00 O ATOM 37 C5' G A 2 23.345 23.780 17.818 1.00 0.00 C ATOM 38 C4' G A 2 22.571 24.660 18.794 1.00 0.00 C ATOM 39 O4' G A 2 21.969 23.863 19.817 1.00 0.00 O ATOM 40 C3' G A 2 23.504 25.666 19.457 1.00 0.00 C ATOM 41 O3' G A 2 23.552 26.903 18.740 1.00 0.00 O ATOM 42 C2' G A 2 22.868 25.836 20.833 1.00 0.00 C ATOM 43 O2' G A 2 21.887 26.876 20.833 1.00 0.00 O ATOM 44 C1' G A 2 22.247 24.465 21.083 1.00 0.00 C ATOM 45 N9 G A 2 23.162 23.629 21.884 1.00 0.00 N ATOM 46 C8 G A 2 23.757 22.437 21.564 1.00 0.00 C ATOM 47 N7 G A 2 24.549 21.964 22.485 1.00 0.00 N ATOM 48 C5 G A 2 24.473 22.917 23.496 1.00 0.00 C ATOM 49 C6 G A 2 25.126 22.952 24.755 1.00 0.00 C ATOM 50 O6 G A 2 25.896 22.126 25.241 1.00 0.00 O ATOM 51 N1 G A 2 24.787 24.091 25.472 1.00 0.00 N ATOM 52 C2 G A 2 23.919 25.073 25.036 1.00 0.00 C ATOM 53 N2 G A 2 23.708 26.091 25.871 1.00 0.00 N ATOM 54 N3 G A 2 23.302 25.042 23.849 1.00 0.00 N ATOM 55 C4 G A 2 23.632 23.938 23.138 1.00 0.00 C ATOM 0 H5' G A 2 22.644 23.188 17.230 1.00 0.00 H new ATOM 0 H5'' G A 2 23.894 24.411 17.119 1.00 0.00 H new ATOM 0 H4' G A 2 21.799 25.184 18.230 1.00 0.00 H new ATOM 0 H3' G A 2 24.542 25.336 19.493 1.00 0.00 H new ATOM 0 H2' G A 2 23.577 26.132 21.607 1.00 0.00 H new ATOM 0 HO2' G A 2 22.062 27.491 20.090 1.00 0.00 H new ATOM 0 H1' G A 2 21.320 24.564 21.648 1.00 0.00 H new ATOM 0 H8 G A 2 23.584 21.931 20.626 1.00 0.00 H new ATOM 0 H1 G A 2 25.211 24.212 26.392 1.00 0.00 H new ATOM 0 H21 G A 2 23.077 26.847 25.605 1.00 0.00 H new ATOM 0 H22 G A 2 24.178 26.114 26.776 1.00 0.00 H new ATOM 67 P A A 3 24.924 27.735 18.609 1.00 0.00 P ATOM 68 OP1 A A 3 24.829 28.593 17.407 1.00 0.00 O ATOM 69 OP2 A A 3 26.062 26.798 18.741 1.00 0.00 O ATOM 70 O5' A A 3 24.889 28.676 19.915 1.00 0.00 O ATOM 71 C5' A A 3 24.172 29.913 19.896 1.00 0.00 C ATOM 72 C4' A A 3 23.985 30.508 21.288 1.00 0.00 C ATOM 73 O4' A A 3 23.393 29.553 22.173 1.00 0.00 O ATOM 74 C3' A A 3 25.310 30.956 21.896 1.00 0.00 C ATOM 75 O3' A A 3 25.636 32.295 21.514 1.00 0.00 O ATOM 76 C2' A A 3 24.999 30.834 23.384 1.00 0.00 C ATOM 77 O2' A A 3 24.261 31.957 23.873 1.00 0.00 O ATOM 78 C1' A A 3 24.143 29.573 23.390 1.00 0.00 C ATOM 79 N9 A A 3 24.993 28.372 23.500 1.00 0.00 N ATOM 80 C8 A A 3 25.257 27.408 22.562 1.00 0.00 C ATOM 81 N7 A A 3 26.030 26.443 22.976 1.00 0.00 N ATOM 82 C5 A A 3 26.307 26.802 24.291 1.00 0.00 C ATOM 83 C6 A A 3 27.075 26.204 25.302 1.00 0.00 C ATOM 84 N6 A A 3 27.707 25.042 25.136 1.00 0.00 N ATOM 85 N1 A A 3 27.141 26.831 26.484 1.00 0.00 N ATOM 86 C2 A A 3 26.492 27.969 26.677 1.00 0.00 C ATOM 87 N3 A A 3 25.734 28.622 25.809 1.00 0.00 N ATOM 88 C4 A A 3 25.684 27.977 24.620 1.00 0.00 C ATOM 0 H5' A A 3 23.195 29.755 19.439 1.00 0.00 H new ATOM 0 H5'' A A 3 24.705 30.627 19.269 1.00 0.00 H new ATOM 0 H4' A A 3 23.332 31.372 21.169 1.00 0.00 H new ATOM 0 H3' A A 3 26.178 30.378 21.578 1.00 0.00 H new ATOM 0 H2' A A 3 25.883 30.796 24.021 1.00 0.00 H new ATOM 0 HO2' A A 3 24.352 32.009 24.847 1.00 0.00 H new ATOM 0 H1' A A 3 23.470 29.574 24.247 1.00 0.00 H new ATOM 0 H8 A A 3 24.857 27.445 21.560 1.00 0.00 H new ATOM 0 H61 A A 3 28.254 24.645 25.900 1.00 0.00 H new ATOM 0 H62 A A 3 27.643 24.550 24.245 1.00 0.00 H new ATOM 0 H2 A A 3 26.592 28.416 27.655 1.00 0.00 H new ATOM 100 P G A 4 27.141 32.837 21.692 1.00 0.00 P ATOM 101 OP1 G A 4 27.189 34.246 21.243 1.00 0.00 O ATOM 102 OP2 G A 4 28.065 31.854 21.084 1.00 0.00 O ATOM 103 O5' G A 4 27.337 32.791 23.289 1.00 0.00 O ATOM 104 C5' G A 4 26.671 33.728 24.140 1.00 0.00 C ATOM 105 C4' G A 4 27.172 33.676 25.579 1.00 0.00 C ATOM 106 O4' G A 4 26.943 32.393 26.167 1.00 0.00 O ATOM 107 C3' G A 4 28.666 33.972 25.646 1.00 0.00 C ATOM 108 O3' G A 4 28.912 35.373 25.796 1.00 0.00 O ATOM 109 C2' G A 4 29.095 33.183 26.879 1.00 0.00 C ATOM 110 O2' G A 4 28.962 33.955 28.076 1.00 0.00 O ATOM 111 C1' G A 4 28.126 32.006 26.871 1.00 0.00 C ATOM 112 N9 G A 4 28.743 30.823 26.241 1.00 0.00 N ATOM 113 C8 G A 4 28.666 30.409 24.936 1.00 0.00 C ATOM 114 N7 G A 4 29.310 29.304 24.682 1.00 0.00 N ATOM 115 C5 G A 4 29.856 28.965 25.916 1.00 0.00 C ATOM 116 C6 G A 4 30.665 27.851 26.261 1.00 0.00 C ATOM 117 O6 G A 4 31.036 26.931 25.536 1.00 0.00 O ATOM 118 N1 G A 4 31.013 27.868 27.605 1.00 0.00 N ATOM 119 C2 G A 4 30.624 28.837 28.509 1.00 0.00 C ATOM 120 N2 G A 4 31.048 28.685 29.763 1.00 0.00 N ATOM 121 N3 G A 4 29.860 29.888 28.185 1.00 0.00 N ATOM 122 C4 G A 4 29.518 29.883 26.875 1.00 0.00 C ATOM 0 H5' G A 4 25.600 33.528 24.125 1.00 0.00 H new ATOM 0 H5'' G A 4 26.813 34.735 23.746 1.00 0.00 H new ATOM 0 H4' G A 4 26.616 34.433 26.132 1.00 0.00 H new ATOM 0 H3' G A 4 29.212 33.694 24.745 1.00 0.00 H new ATOM 0 H2' G A 4 30.144 32.887 26.855 1.00 0.00 H new ATOM 0 HO2' G A 4 29.634 34.668 28.082 1.00 0.00 H new ATOM 0 H1' G A 4 27.872 31.736 27.896 1.00 0.00 H new ATOM 0 H8 G A 4 28.118 30.953 24.181 1.00 0.00 H new ATOM 0 H1 G A 4 31.600 27.108 27.950 1.00 0.00 H new ATOM 0 H21 G A 4 30.792 29.370 30.474 1.00 0.00 H new ATOM 0 H22 G A 4 31.629 27.884 30.011 1.00 0.00 H new ATOM 134 P A A 5 30.409 35.946 25.945 1.00 0.00 P ATOM 135 OP1 A A 5 30.761 35.955 27.382 1.00 0.00 O ATOM 136 OP2 A A 5 30.500 37.209 25.179 1.00 0.00 O ATOM 137 O5' A A 5 31.298 34.826 25.205 1.00 0.00 O ATOM 138 C5' A A 5 32.658 34.581 25.571 1.00 0.00 C ATOM 139 C4' A A 5 32.789 34.013 26.980 1.00 0.00 C ATOM 140 O4' A A 5 31.913 32.896 27.151 1.00 0.00 O ATOM 141 C3' A A 5 34.221 33.560 27.247 1.00 0.00 C ATOM 142 O3' A A 5 34.967 34.538 27.976 1.00 0.00 O ATOM 143 C2' A A 5 34.027 32.296 28.078 1.00 0.00 C ATOM 144 O2' A A 5 33.966 32.586 29.476 1.00 0.00 O ATOM 145 C1' A A 5 32.691 31.769 27.564 1.00 0.00 C ATOM 146 N9 A A 5 32.881 30.839 26.435 1.00 0.00 N ATOM 147 C8 A A 5 32.353 30.909 25.171 1.00 0.00 C ATOM 148 N7 A A 5 32.701 29.927 24.387 1.00 0.00 N ATOM 149 C5 A A 5 33.524 29.148 25.193 1.00 0.00 C ATOM 150 C6 A A 5 34.231 27.955 24.971 1.00 0.00 C ATOM 151 N6 A A 5 34.220 27.297 23.813 1.00 0.00 N ATOM 152 N1 A A 5 34.950 27.469 25.991 1.00 0.00 N ATOM 153 C2 A A 5 34.984 28.094 27.158 1.00 0.00 C ATOM 154 N3 A A 5 34.360 29.214 27.487 1.00 0.00 N ATOM 155 C4 A A 5 33.640 29.694 26.445 1.00 0.00 C ATOM 0 H5' A A 5 33.222 35.511 25.503 1.00 0.00 H new ATOM 0 H5'' A A 5 33.103 33.886 24.859 1.00 0.00 H new ATOM 0 H4' A A 5 32.521 34.801 27.683 1.00 0.00 H new ATOM 0 H3' A A 5 34.788 33.401 26.330 1.00 0.00 H new ATOM 0 H2' A A 5 34.847 31.585 27.978 1.00 0.00 H new ATOM 0 HO2' A A 5 34.273 33.503 29.634 1.00 0.00 H new ATOM 0 H1' A A 5 32.184 31.215 28.354 1.00 0.00 H new ATOM 0 H8 A A 5 31.703 31.711 24.852 1.00 0.00 H new ATOM 0 H61 A A 5 34.754 26.434 23.712 1.00 0.00 H new ATOM 0 H62 A A 5 33.677 27.656 23.028 1.00 0.00 H new ATOM 0 H2 A A 5 35.589 27.639 27.928 1.00 0.00 H new ATOM 167 P G A 6 36.534 34.763 27.679 1.00 0.00 P ATOM 168 OP1 G A 6 37.113 35.555 28.787 1.00 0.00 O ATOM 169 OP2 G A 6 36.693 35.244 26.288 1.00 0.00 O ATOM 170 O5' G A 6 37.111 33.263 27.774 1.00 0.00 O ATOM 171 C5' G A 6 37.559 32.730 29.023 1.00 0.00 C ATOM 172 C4' G A 6 38.292 31.405 28.851 1.00 0.00 C ATOM 173 O4' G A 6 37.409 30.402 28.341 1.00 0.00 O ATOM 174 C3' G A 6 39.455 31.566 27.877 1.00 0.00 C ATOM 175 O3' G A 6 40.676 31.879 28.551 1.00 0.00 O ATOM 176 C2' G A 6 39.512 30.194 27.213 1.00 0.00 C ATOM 177 O2' G A 6 40.341 29.286 27.943 1.00 0.00 O ATOM 178 C1' G A 6 38.051 29.759 27.236 1.00 0.00 C ATOM 179 N9 G A 6 37.374 30.111 25.974 1.00 0.00 N ATOM 180 C8 G A 6 36.720 31.269 25.643 1.00 0.00 C ATOM 181 N7 G A 6 36.223 31.284 24.438 1.00 0.00 N ATOM 182 C5 G A 6 36.578 30.037 23.934 1.00 0.00 C ATOM 183 C6 G A 6 36.311 29.476 22.658 1.00 0.00 C ATOM 184 O6 G A 6 35.713 29.987 21.713 1.00 0.00 O ATOM 185 N1 G A 6 36.834 28.196 22.543 1.00 0.00 N ATOM 186 C2 G A 6 37.533 27.534 23.534 1.00 0.00 C ATOM 187 N2 G A 6 37.954 26.305 23.234 1.00 0.00 N ATOM 188 N3 G A 6 37.784 28.060 24.739 1.00 0.00 N ATOM 189 C4 G A 6 37.278 29.310 24.861 1.00 0.00 C ATOM 0 H5' G A 6 36.704 32.588 29.684 1.00 0.00 H new ATOM 0 H5'' G A 6 38.220 33.449 29.507 1.00 0.00 H new ATOM 0 H4' G A 6 38.665 31.101 29.829 1.00 0.00 H new ATOM 0 H3' G A 6 39.320 32.387 27.173 1.00 0.00 H new ATOM 0 H2' G A 6 39.945 30.216 26.213 1.00 0.00 H new ATOM 0 HO2' G A 6 41.271 29.592 27.908 1.00 0.00 H new ATOM 0 H1' G A 6 37.995 28.676 27.346 1.00 0.00 H new ATOM 0 H8 G A 6 36.624 32.101 26.325 1.00 0.00 H new ATOM 0 H1 G A 6 36.692 27.706 21.660 1.00 0.00 H new ATOM 0 H21 G A 6 38.476 25.763 23.922 1.00 0.00 H new ATOM 0 H22 G A 6 37.754 25.907 22.316 1.00 0.00 H new HETATM 201 P H2U A 7 41.988 32.300 27.717 1.00 0.00 P HETATM 202 OP1 H2U A 7 43.044 32.698 28.675 1.00 0.00 O HETATM 203 OP2 H2U A 7 41.597 33.248 26.651 1.00 0.00 O HETATM 204 O5' H2U A 7 42.410 30.904 27.033 1.00 0.00 O HETATM 205 C5' H2U A 7 43.017 30.864 25.740 1.00 0.00 C HETATM 206 C4' H2U A 7 42.483 29.714 24.892 1.00 0.00 C HETATM 207 O4' H2U A 7 41.077 29.867 24.676 1.00 0.00 O HETATM 208 C3' H2U A 7 43.170 29.668 23.532 1.00 0.00 C HETATM 209 O3' H2U A 7 43.291 28.327 23.051 1.00 0.00 O HETATM 210 C1' H2U A 7 40.866 30.104 23.282 1.00 0.00 C HETATM 211 C2' H2U A 7 42.210 30.476 22.665 1.00 0.00 C HETATM 212 O2' H2U A 7 42.297 30.096 21.289 1.00 0.00 O HETATM 213 N1 H2U A 7 39.873 31.173 23.069 1.00 0.00 N HETATM 214 C2 H2U A 7 38.993 31.034 22.011 1.00 0.00 C HETATM 215 O2 H2U A 7 38.907 29.992 21.364 1.00 0.00 O HETATM 216 N3 H2U A 7 38.237 32.155 21.699 1.00 0.00 N HETATM 217 C4 H2U A 7 38.321 33.379 22.347 1.00 0.00 C HETATM 218 O4 H2U A 7 37.486 34.261 22.154 1.00 0.00 O HETATM 219 C5 H2U A 7 39.487 33.605 23.274 1.00 0.00 C HETATM 220 C6 H2U A 7 39.807 32.302 23.999 1.00 0.00 C HETATM 0 HO2' H2U A 7 41.668 30.631 20.761 1.00 0.00 H new HETATM 0 H5'' H2U A 7 42.836 31.808 25.226 1.00 0.00 H new HETATM 0 HN3 H2U A 7 37.568 32.073 20.934 1.00 0.00 H new HETATM 0 H62 H2U A 7 39.046 32.108 24.755 1.00 0.00 H new HETATM 0 H61 H2U A 7 40.758 32.400 24.522 1.00 0.00 H new HETATM 0 H52 H2U A 7 40.356 33.945 22.710 1.00 0.00 H new HETATM 0 H51 H2U A 7 39.249 34.388 23.994 1.00 0.00 H new HETATM 0 H5' H2U A 7 44.097 30.762 25.850 1.00 0.00 H new HETATM 0 H4' H2U A 7 42.685 28.790 25.434 1.00 0.00 H new HETATM 0 H3' H2U A 7 44.189 30.055 23.545 1.00 0.00 H new HETATM 0 H2' H2U A 7 42.407 31.548 22.654 1.00 0.00 H new HETATM 0 H1' H2U A 7 40.469 29.207 22.806 1.00 0.00 H new ATOM 233 P G A 8 44.543 27.870 22.147 1.00 0.00 P ATOM 234 OP1 G A 8 45.208 29.082 21.620 1.00 0.00 O ATOM 235 OP2 G A 8 44.077 26.837 21.194 1.00 0.00 O ATOM 236 O5' G A 8 45.512 27.171 23.226 1.00 0.00 O ATOM 237 C5' G A 8 46.692 26.466 22.830 1.00 0.00 C ATOM 238 C4' G A 8 47.164 25.494 23.906 1.00 0.00 C ATOM 239 O4' G A 8 47.433 26.196 25.122 1.00 0.00 O ATOM 240 C3' G A 8 46.109 24.426 24.177 1.00 0.00 C ATOM 241 O3' G A 8 46.397 23.222 23.462 1.00 0.00 O ATOM 242 C2' G A 8 46.217 24.203 25.682 1.00 0.00 C ATOM 243 O2' G A 8 47.133 23.151 25.999 1.00 0.00 O ATOM 244 C1' G A 8 46.733 25.547 26.187 1.00 0.00 C ATOM 245 N9 G A 8 45.620 26.388 26.666 1.00 0.00 N ATOM 246 C8 G A 8 44.817 27.239 25.952 1.00 0.00 C ATOM 247 N7 G A 8 43.920 27.860 26.665 1.00 0.00 N ATOM 248 C5 G A 8 44.149 27.384 27.951 1.00 0.00 C ATOM 249 C6 G A 8 43.480 27.704 29.161 1.00 0.00 C ATOM 250 O6 G A 8 42.540 28.478 29.329 1.00 0.00 O ATOM 251 N1 G A 8 44.013 27.012 30.239 1.00 0.00 N ATOM 252 C2 G A 8 45.061 26.116 30.163 1.00 0.00 C ATOM 253 N2 G A 8 45.436 25.544 31.307 1.00 0.00 N ATOM 254 N3 G A 8 45.695 25.813 29.023 1.00 0.00 N ATOM 255 C4 G A 8 45.183 26.484 27.965 1.00 0.00 C ATOM 0 H5' G A 8 47.486 27.181 22.613 1.00 0.00 H new ATOM 0 H5'' G A 8 46.495 25.919 21.908 1.00 0.00 H new ATOM 0 H4' G A 8 48.074 25.015 23.545 1.00 0.00 H new ATOM 0 H3' G A 8 45.111 24.725 23.857 1.00 0.00 H new ATOM 0 H2' G A 8 45.273 23.899 26.134 1.00 0.00 H new ATOM 0 HO2' G A 8 47.363 22.661 25.182 1.00 0.00 H new ATOM 0 H1' G A 8 47.408 25.387 27.027 1.00 0.00 H new ATOM 0 H8 G A 8 44.919 27.383 24.887 1.00 0.00 H new ATOM 0 H1 G A 8 43.600 27.178 31.157 1.00 0.00 H new ATOM 0 H21 G A 8 46.205 24.873 31.314 1.00 0.00 H new ATOM 0 H22 G A 8 44.954 25.777 32.175 1.00 0.00 H new ATOM 267 P G A 9 46.108 23.105 21.883 1.00 0.00 P ATOM 268 OP1 G A 9 47.398 23.124 21.158 1.00 0.00 O ATOM 269 OP2 G A 9 45.062 24.088 21.522 1.00 0.00 O ATOM 270 O5' G A 9 45.485 21.624 21.776 1.00 0.00 O ATOM 271 C5' G A 9 44.220 21.328 22.374 1.00 0.00 C ATOM 272 C4' G A 9 44.112 19.871 22.810 1.00 0.00 C ATOM 273 O4' G A 9 45.052 19.610 23.856 1.00 0.00 O ATOM 274 C3' G A 9 42.706 19.566 23.315 1.00 0.00 C ATOM 275 O3' G A 9 41.952 18.878 22.313 1.00 0.00 O ATOM 276 C2' G A 9 42.932 18.685 24.539 1.00 0.00 C ATOM 277 O2' G A 9 42.723 17.305 24.227 1.00 0.00 O ATOM 278 C1' G A 9 44.382 18.948 24.932 1.00 0.00 C ATOM 279 N9 G A 9 44.450 19.762 26.160 1.00 0.00 N ATOM 280 C8 G A 9 44.160 21.091 26.335 1.00 0.00 C ATOM 281 N7 G A 9 44.340 21.526 27.551 1.00 0.00 N ATOM 282 C5 G A 9 44.781 20.398 28.234 1.00 0.00 C ATOM 283 C6 G A 9 45.139 20.250 29.599 1.00 0.00 C ATOM 284 O6 G A 9 45.111 21.097 30.490 1.00 0.00 O ATOM 285 N1 G A 9 45.533 18.951 29.889 1.00 0.00 N ATOM 286 C2 G A 9 45.576 17.914 28.979 1.00 0.00 C ATOM 287 N2 G A 9 45.997 16.738 29.444 1.00 0.00 N ATOM 288 N3 G A 9 45.233 18.051 27.692 1.00 0.00 N ATOM 289 C4 G A 9 44.850 19.316 27.397 1.00 0.00 C ATOM 0 H5' G A 9 43.424 21.552 21.664 1.00 0.00 H new ATOM 0 H5'' G A 9 44.069 21.975 23.238 1.00 0.00 H new ATOM 0 H4' G A 9 44.327 19.236 21.950 1.00 0.00 H new ATOM 0 H3' G A 9 42.138 20.465 23.555 1.00 0.00 H new ATOM 0 H2' G A 9 42.237 18.912 25.347 1.00 0.00 H new ATOM 0 HO2' G A 9 41.816 17.183 23.875 1.00 0.00 H new ATOM 0 H1' G A 9 44.875 17.997 25.132 1.00 0.00 H new ATOM 0 H8 G A 9 43.812 21.724 25.533 1.00 0.00 H new ATOM 0 H1 G A 9 45.812 18.747 30.849 1.00 0.00 H new ATOM 0 H21 G A 9 46.051 15.933 28.820 1.00 0.00 H new ATOM 0 H22 G A 9 46.265 16.643 30.424 1.00 0.00 H new ATOM 301 P A A 10 41.134 19.698 21.195 1.00 0.00 P ATOM 302 OP1 A A 10 41.963 19.806 19.975 1.00 0.00 O ATOM 303 OP2 A A 10 40.616 20.937 21.817 1.00 0.00 O ATOM 304 O5' A A 10 39.904 18.711 20.865 1.00 0.00 O ATOM 305 C5' A A 10 38.770 18.618 21.731 1.00 0.00 C ATOM 306 C4' A A 10 38.928 17.519 22.776 1.00 0.00 C ATOM 307 O4' A A 10 39.974 17.857 23.690 1.00 0.00 O ATOM 308 C3' A A 10 37.634 17.330 23.560 1.00 0.00 C ATOM 309 O3' A A 10 36.864 16.249 23.027 1.00 0.00 O ATOM 310 C2' A A 10 38.120 17.019 24.972 1.00 0.00 C ATOM 311 O2' A A 10 38.193 15.610 25.207 1.00 0.00 O ATOM 312 C1' A A 10 39.501 17.662 25.026 1.00 0.00 C ATOM 313 N9 A A 10 39.461 18.945 25.752 1.00 0.00 N ATOM 314 C8 A A 10 39.834 19.225 27.042 1.00 0.00 C ATOM 315 N7 A A 10 39.719 20.479 27.382 1.00 0.00 N ATOM 316 C5 A A 10 39.230 21.073 26.223 1.00 0.00 C ATOM 317 C6 A A 10 38.888 22.396 25.900 1.00 0.00 C ATOM 318 N6 A A 10 38.998 23.396 26.775 1.00 0.00 N ATOM 319 N1 A A 10 38.437 22.638 24.663 1.00 0.00 N ATOM 320 C2 A A 10 38.324 21.655 23.784 1.00 0.00 C ATOM 321 N3 A A 10 38.612 20.375 23.968 1.00 0.00 N ATOM 322 C4 A A 10 39.067 20.151 25.223 1.00 0.00 C ATOM 0 H5' A A 10 37.877 18.425 21.137 1.00 0.00 H new ATOM 0 H5'' A A 10 38.619 19.574 22.232 1.00 0.00 H new ATOM 0 H4' A A 10 39.173 16.593 22.256 1.00 0.00 H new ATOM 0 H3' A A 10 36.979 18.200 23.520 1.00 0.00 H new ATOM 0 H2' A A 10 37.445 17.399 25.739 1.00 0.00 H new ATOM 0 HO2' A A 10 37.790 15.131 24.453 1.00 0.00 H new ATOM 0 H1' A A 10 40.181 17.002 25.565 1.00 0.00 H new ATOM 0 H8 A A 10 40.194 18.467 27.722 1.00 0.00 H new ATOM 0 H61 A A 10 38.739 24.344 26.501 1.00 0.00 H new ATOM 0 H62 A A 10 39.341 23.213 27.718 1.00 0.00 H new ATOM 0 H2 A A 10 37.955 21.927 22.806 1.00 0.00 H new ATOM 334 P A A 11 35.286 16.123 23.322 1.00 0.00 P ATOM 335 OP1 A A 11 34.836 14.780 22.895 1.00 0.00 O ATOM 336 OP2 A A 11 34.617 17.318 22.761 1.00 0.00 O ATOM 337 O5' A A 11 35.224 16.186 24.929 1.00 0.00 O ATOM 338 C5' A A 11 34.256 17.003 25.593 1.00 0.00 C ATOM 339 C4' A A 11 34.821 17.698 26.828 1.00 0.00 C ATOM 340 O4' A A 11 36.023 18.404 26.509 1.00 0.00 O ATOM 341 C3' A A 11 33.802 18.693 27.374 1.00 0.00 C ATOM 342 O3' A A 11 33.061 18.124 28.457 1.00 0.00 O ATOM 343 C2' A A 11 34.676 19.857 27.829 1.00 0.00 C ATOM 344 O2' A A 11 35.101 19.687 29.183 1.00 0.00 O ATOM 345 C1' A A 11 35.855 19.779 26.865 1.00 0.00 C ATOM 346 N9 A A 11 35.624 20.597 25.660 1.00 0.00 N ATOM 347 C8 A A 11 35.382 20.174 24.379 1.00 0.00 C ATOM 348 N7 A A 11 35.212 21.134 23.513 1.00 0.00 N ATOM 349 C5 A A 11 35.354 22.283 24.284 1.00 0.00 C ATOM 350 C6 A A 11 35.292 23.651 23.972 1.00 0.00 C ATOM 351 N6 A A 11 35.070 24.127 22.746 1.00 0.00 N ATOM 352 N1 A A 11 35.486 24.518 24.973 1.00 0.00 N ATOM 353 C2 A A 11 35.727 24.088 26.202 1.00 0.00 C ATOM 354 N3 A A 11 35.806 22.833 26.616 1.00 0.00 N ATOM 355 C4 A A 11 35.607 21.970 25.593 1.00 0.00 C ATOM 0 H5' A A 11 33.405 16.387 25.885 1.00 0.00 H new ATOM 0 H5'' A A 11 33.882 17.754 24.897 1.00 0.00 H new ATOM 0 H4' A A 11 35.040 16.934 27.574 1.00 0.00 H new ATOM 0 H3' A A 11 33.048 18.992 26.646 1.00 0.00 H new ATOM 0 H2' A A 11 34.163 20.819 27.812 1.00 0.00 H new ATOM 0 HO2' A A 11 35.660 20.447 29.448 1.00 0.00 H new ATOM 0 H1' A A 11 36.752 20.172 27.344 1.00 0.00 H new ATOM 0 H8 A A 11 35.336 19.129 24.109 1.00 0.00 H new ATOM 0 H61 A A 11 35.037 25.134 22.588 1.00 0.00 H new ATOM 0 H62 A A 11 34.933 23.484 21.966 1.00 0.00 H new ATOM 0 H2 A A 11 35.876 24.849 26.954 1.00 0.00 H new ATOM 367 P C A 12 31.617 18.705 28.868 1.00 0.00 P ATOM 368 OP1 C A 12 30.942 17.725 29.749 1.00 0.00 O ATOM 369 OP2 C A 12 30.928 19.170 27.644 1.00 0.00 O ATOM 370 O5' C A 12 32.014 19.990 29.753 1.00 0.00 O ATOM 371 C5' C A 12 32.755 19.839 30.967 1.00 0.00 C ATOM 372 C4' C A 12 32.724 21.111 31.806 1.00 0.00 C ATOM 373 O4' C A 12 33.305 22.205 31.090 1.00 0.00 O ATOM 374 C3' C A 12 31.292 21.494 32.164 1.00 0.00 C ATOM 375 O3' C A 12 30.860 20.890 33.387 1.00 0.00 O ATOM 376 C2' C A 12 31.395 23.011 32.288 1.00 0.00 C ATOM 377 O2' C A 12 31.817 23.403 33.597 1.00 0.00 O ATOM 378 C1' C A 12 32.443 23.337 31.229 1.00 0.00 C ATOM 379 N1 C A 12 31.791 23.661 29.946 1.00 0.00 N ATOM 380 C2 C A 12 31.351 24.959 29.764 1.00 0.00 C ATOM 381 O2 C A 12 31.471 25.785 30.666 1.00 0.00 O ATOM 382 N3 C A 12 30.767 25.286 28.582 1.00 0.00 N ATOM 383 C4 C A 12 30.609 24.372 27.617 1.00 0.00 C ATOM 384 N4 C A 12 29.970 24.706 26.496 1.00 0.00 N ATOM 385 C5 C A 12 31.064 23.025 27.797 1.00 0.00 C ATOM 386 C6 C A 12 31.649 22.714 28.973 1.00 0.00 C ATOM 0 H5' C A 12 33.788 19.582 30.734 1.00 0.00 H new ATOM 0 H5'' C A 12 32.343 19.011 31.545 1.00 0.00 H new ATOM 0 H4' C A 12 33.294 20.910 32.713 1.00 0.00 H new ATOM 0 H3' C A 12 30.557 21.159 31.432 1.00 0.00 H new ATOM 0 H2' C A 12 30.450 23.534 32.144 1.00 0.00 H new ATOM 0 HO2' C A 12 31.695 22.655 34.218 1.00 0.00 H new ATOM 0 H1' C A 12 33.026 24.207 31.531 1.00 0.00 H new ATOM 0 H41 C A 12 29.845 24.016 25.755 1.00 0.00 H new ATOM 0 H42 C A 12 29.606 25.652 26.379 1.00 0.00 H new ATOM 0 H5 C A 12 30.943 22.285 27.020 1.00 0.00 H new ATOM 0 H6 C A 12 32.007 21.710 29.145 1.00 0.00 H new ATOM 398 P U A 13 29.317 20.478 33.591 1.00 0.00 P ATOM 399 OP1 U A 13 29.178 19.785 34.891 1.00 0.00 O ATOM 400 OP2 U A 13 28.833 19.810 32.362 1.00 0.00 O ATOM 401 O5' U A 13 28.586 21.908 33.705 1.00 0.00 O ATOM 402 C5' U A 13 28.696 22.685 34.900 1.00 0.00 C ATOM 403 C4' U A 13 28.196 24.112 34.699 1.00 0.00 C ATOM 404 O4' U A 13 28.918 24.766 33.652 1.00 0.00 O ATOM 405 C3' U A 13 26.720 24.128 34.316 1.00 0.00 C ATOM 406 O3' U A 13 25.879 24.127 35.472 1.00 0.00 O ATOM 407 C2' U A 13 26.618 25.431 33.531 1.00 0.00 C ATOM 408 O2' U A 13 26.385 26.550 34.392 1.00 0.00 O ATOM 409 C1' U A 13 27.989 25.520 32.870 1.00 0.00 C ATOM 410 N1 U A 13 27.940 25.018 31.484 1.00 0.00 N ATOM 411 C2 U A 13 27.907 25.950 30.463 1.00 0.00 C ATOM 412 O2 U A 13 27.964 27.159 30.676 1.00 0.00 O ATOM 413 N3 U A 13 27.837 25.438 29.175 1.00 0.00 N ATOM 414 C4 U A 13 27.790 24.093 28.835 1.00 0.00 C ATOM 415 O4 U A 13 27.730 23.746 27.658 1.00 0.00 O ATOM 416 C5 U A 13 27.827 23.199 29.969 1.00 0.00 C ATOM 417 C6 U A 13 27.899 23.677 31.229 1.00 0.00 C ATOM 0 H5' U A 13 29.736 22.707 35.224 1.00 0.00 H new ATOM 0 H5'' U A 13 28.124 22.209 35.697 1.00 0.00 H new ATOM 0 H4' U A 13 28.346 24.632 35.645 1.00 0.00 H new ATOM 0 H3' U A 13 26.396 23.254 33.751 1.00 0.00 H new ATOM 0 H2' U A 13 25.788 25.446 32.825 1.00 0.00 H new ATOM 0 HO2' U A 13 26.326 27.368 33.856 1.00 0.00 H new ATOM 0 H1' U A 13 28.307 26.562 32.824 1.00 0.00 H new ATOM 0 H3 U A 13 27.818 26.111 28.409 1.00 0.00 H new ATOM 0 H5 U A 13 27.797 22.132 29.806 1.00 0.00 H new ATOM 0 H6 U A 13 27.925 22.982 32.056 1.00 0.00 H new ATOM 428 P C A 14 24.372 23.569 35.371 1.00 0.00 P ATOM 429 OP1 C A 14 23.693 23.807 36.664 1.00 0.00 O ATOM 430 OP2 C A 14 24.421 22.195 34.823 1.00 0.00 O ATOM 431 O5' C A 14 23.730 24.539 34.258 1.00 0.00 O ATOM 432 C5' C A 14 23.479 25.918 34.542 1.00 0.00 C ATOM 433 C4' C A 14 23.143 26.711 33.284 1.00 0.00 C ATOM 434 O4' C A 14 24.213 26.679 32.335 1.00 0.00 O ATOM 435 C3' C A 14 21.907 26.153 32.586 1.00 0.00 C ATOM 436 O3' C A 14 20.695 26.658 33.153 1.00 0.00 O ATOM 437 C2' C A 14 22.118 26.658 31.162 1.00 0.00 C ATOM 438 O2' C A 14 21.608 27.985 31.004 1.00 0.00 O ATOM 439 C1' C A 14 23.637 26.626 31.027 1.00 0.00 C ATOM 440 N1 C A 14 24.064 25.414 30.303 1.00 0.00 N ATOM 441 C2 C A 14 24.476 25.571 28.992 1.00 0.00 C ATOM 442 O2 C A 14 24.516 26.692 28.490 1.00 0.00 O ATOM 443 N3 C A 14 24.844 24.469 28.289 1.00 0.00 N ATOM 444 C4 C A 14 24.819 23.253 28.850 1.00 0.00 C ATOM 445 N4 C A 14 25.192 22.197 28.127 1.00 0.00 N ATOM 446 C5 C A 14 24.397 23.081 30.208 1.00 0.00 C ATOM 447 C6 C A 14 24.032 24.184 30.895 1.00 0.00 C ATOM 0 H5' C A 14 24.355 26.354 35.022 1.00 0.00 H new ATOM 0 H5'' C A 14 22.655 25.997 35.251 1.00 0.00 H new ATOM 0 H4' C A 14 22.965 27.734 33.617 1.00 0.00 H new ATOM 0 H3' C A 14 21.803 25.071 32.668 1.00 0.00 H new ATOM 0 H2' C A 14 21.602 26.066 30.406 1.00 0.00 H new ATOM 0 HO2' C A 14 21.757 28.285 30.083 1.00 0.00 H new ATOM 0 H1' C A 14 23.979 27.486 30.450 1.00 0.00 H new ATOM 0 H41 C A 14 25.178 21.265 28.541 1.00 0.00 H new ATOM 0 H42 C A 14 25.491 22.321 27.160 1.00 0.00 H new ATOM 0 H5 C A 14 24.372 22.103 30.666 1.00 0.00 H new ATOM 0 H6 C A 14 23.712 24.093 31.922 1.00 0.00 H new ATOM 459 P C A 15 19.304 25.882 32.920 1.00 0.00 P ATOM 460 OP1 C A 15 18.276 26.457 33.817 1.00 0.00 O ATOM 461 OP2 C A 15 19.578 24.429 32.982 1.00 0.00 O ATOM 462 O5' C A 15 18.930 26.272 31.404 1.00 0.00 O ATOM 463 C5' C A 15 18.619 27.624 31.058 1.00 0.00 C ATOM 464 C4' C A 15 18.354 27.803 29.567 1.00 0.00 C ATOM 465 O4' C A 15 19.543 27.585 28.803 1.00 0.00 O ATOM 466 C3' C A 15 17.288 26.825 29.084 1.00 0.00 C ATOM 467 O3' C A 15 15.976 27.378 29.225 1.00 0.00 O ATOM 468 C2' C A 15 17.685 26.634 27.624 1.00 0.00 C ATOM 469 O2' C A 15 17.132 27.657 26.792 1.00 0.00 O ATOM 470 C1' C A 15 19.204 26.740 27.700 1.00 0.00 C ATOM 471 N1 C A 15 19.822 25.410 27.863 1.00 0.00 N ATOM 472 C2 C A 15 20.371 24.817 26.741 1.00 0.00 C ATOM 473 O2 C A 15 20.340 25.403 25.661 1.00 0.00 O ATOM 474 N3 C A 15 20.960 23.601 26.871 1.00 0.00 N ATOM 475 C4 C A 15 21.010 22.988 28.060 1.00 0.00 C ATOM 476 N4 C A 15 21.604 21.798 28.151 1.00 0.00 N ATOM 477 C5 C A 15 20.446 23.594 29.230 1.00 0.00 C ATOM 478 C6 C A 15 19.859 24.801 29.084 1.00 0.00 C ATOM 0 H5' C A 15 19.444 28.270 31.356 1.00 0.00 H new ATOM 0 H5'' C A 15 17.742 27.946 31.620 1.00 0.00 H new ATOM 0 H4' C A 15 18.010 28.827 29.424 1.00 0.00 H new ATOM 0 H3' C A 15 17.244 25.891 29.645 1.00 0.00 H new ATOM 0 H2' C A 15 17.327 25.701 27.188 1.00 0.00 H new ATOM 0 HO2' C A 15 16.329 28.025 27.216 1.00 0.00 H new ATOM 0 HO3' C A 15 15.312 26.731 28.906 1.00 0.00 H new ATOM 0 H1' C A 15 19.584 27.164 26.771 1.00 0.00 H new ATOM 0 H41 C A 15 21.650 21.318 29.050 1.00 0.00 H new ATOM 0 H42 C A 15 22.012 21.367 27.322 1.00 0.00 H new ATOM 0 H5 C A 15 20.489 23.104 30.191 1.00 0.00 H new ATOM 0 H6 C A 15 19.415 25.288 29.940 1.00 0.00 H new TER 491 C A 15