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 -20:sc= 0.136 USER MOD Single : A 1 G O5' : rot 180:sc= -0.255 USER MOD Single : A 2 G O2' : rot -13:sc= 0.195 USER MOD Single : A 3 A O2' : rot -29:sc= 0.106 USER MOD Single : A 4 G O2' : rot -71:sc= 0.471 USER MOD Single : A 5 A O2' : rot -18:sc= 0.181 USER MOD Single : A 6 G O2' : rot -67:sc= 0.526 USER MOD Single : A 7 H2U O2' : rot 22:sc= -0.74! USER MOD Single : A 8 G O2' : rot -125:sc= 1.25 USER MOD Single : A 9 G O2' : rot -136:sc= 1.2 USER MOD Single : A 10 A O2' : rot -14:sc= 0.0367 USER MOD Single : A 11 A O2' : rot 180:sc= -3.34! USER MOD Single : A 12 C O2' : rot -18:sc= 0.122 USER MOD Single : A 13 U O2' : rot -140:sc= -0.508 USER MOD Single : A 14 C O2' : rot 1:sc= 0.0966 USER MOD Single : A 15 C O2' : rot -20:sc= 0.144 USER MOD Single : A 15 C O3' : rot 180:sc= 0.142 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 24.783 17.747 19.470 1.00 0.00 O ATOM 2 C5' G A 1 24.226 17.747 18.154 1.00 0.00 C ATOM 3 C4' G A 1 23.037 18.693 18.019 1.00 0.00 C ATOM 4 O4' G A 1 21.985 18.341 18.921 1.00 0.00 O ATOM 5 C3' G A 1 23.438 20.134 18.316 1.00 0.00 C ATOM 6 O3' G A 1 23.919 20.809 17.151 1.00 0.00 O ATOM 7 C2' G A 1 22.118 20.718 18.810 1.00 0.00 C ATOM 8 O2' G A 1 21.272 21.106 17.725 1.00 0.00 O ATOM 9 C1' G A 1 21.532 19.533 19.569 1.00 0.00 C ATOM 10 N9 G A 1 21.950 19.564 20.983 1.00 0.00 N ATOM 11 C8 G A 1 22.835 18.751 21.643 1.00 0.00 C ATOM 12 N7 G A 1 23.024 19.059 22.896 1.00 0.00 N ATOM 13 C5 G A 1 22.195 20.161 23.077 1.00 0.00 C ATOM 14 C6 G A 1 21.979 20.936 24.247 1.00 0.00 C ATOM 15 O6 G A 1 22.489 20.813 25.358 1.00 0.00 O ATOM 16 N1 G A 1 21.072 21.962 24.022 1.00 0.00 N ATOM 17 C2 G A 1 20.445 22.212 22.816 1.00 0.00 C ATOM 18 N2 G A 1 19.607 23.248 22.801 1.00 0.00 N ATOM 19 N3 G A 1 20.648 21.481 21.713 1.00 0.00 N ATOM 20 C4 G A 1 21.532 20.477 21.922 1.00 0.00 C ATOM 0 H5' G A 1 23.912 16.736 17.897 1.00 0.00 H new ATOM 0 H5'' G A 1 24.996 18.033 17.438 1.00 0.00 H new ATOM 0 H4' G A 1 22.692 18.604 16.989 1.00 0.00 H new ATOM 0 H3' G A 1 24.259 20.227 19.027 1.00 0.00 H new ATOM 0 H2' G A 1 22.231 21.624 19.406 1.00 0.00 H new ATOM 0 HO2' G A 1 21.812 21.224 16.915 1.00 0.00 H new ATOM 0 HO5' G A 1 25.539 17.125 19.505 1.00 0.00 H new ATOM 0 H1' G A 1 20.443 19.572 19.560 1.00 0.00 H new ATOM 0 H8 G A 1 23.335 17.922 21.164 1.00 0.00 H new ATOM 0 H1 G A 1 20.852 22.577 24.805 1.00 0.00 H new ATOM 0 H21 G A 1 19.110 23.490 21.944 1.00 0.00 H new ATOM 0 H22 G A 1 19.463 23.799 23.647 1.00 0.00 H new ATOM 33 P G A 2 25.195 21.787 17.246 1.00 0.00 P ATOM 34 OP1 G A 2 25.501 22.294 15.890 1.00 0.00 O ATOM 35 OP2 G A 2 26.251 21.102 18.025 1.00 0.00 O ATOM 36 O5' G A 2 24.620 23.005 18.130 1.00 0.00 O ATOM 37 C5' G A 2 23.704 23.941 17.558 1.00 0.00 C ATOM 38 C4' G A 2 22.859 24.640 18.618 1.00 0.00 C ATOM 39 O4' G A 2 22.358 23.698 19.571 1.00 0.00 O ATOM 40 C3' G A 2 23.689 25.672 19.375 1.00 0.00 C ATOM 41 O3' G A 2 23.696 26.946 18.725 1.00 0.00 O ATOM 42 C2' G A 2 22.944 25.726 20.705 1.00 0.00 C ATOM 43 O2' G A 2 21.875 26.676 20.656 1.00 0.00 O ATOM 44 C1' G A 2 22.447 24.294 20.867 1.00 0.00 C ATOM 45 N9 G A 2 23.367 23.540 21.739 1.00 0.00 N ATOM 46 C8 G A 2 24.090 22.404 21.477 1.00 0.00 C ATOM 47 N7 G A 2 24.840 21.999 22.463 1.00 0.00 N ATOM 48 C5 G A 2 24.598 22.942 23.456 1.00 0.00 C ATOM 49 C6 G A 2 25.139 23.037 24.765 1.00 0.00 C ATOM 50 O6 G A 2 25.938 22.288 25.322 1.00 0.00 O ATOM 51 N1 G A 2 24.642 24.140 25.446 1.00 0.00 N ATOM 52 C2 G A 2 23.725 25.040 24.938 1.00 0.00 C ATOM 53 N2 G A 2 23.351 26.030 25.748 1.00 0.00 N ATOM 54 N3 G A 2 23.214 24.951 23.704 1.00 0.00 N ATOM 55 C4 G A 2 23.698 23.881 23.028 1.00 0.00 C ATOM 0 H5' G A 2 23.049 23.424 16.856 1.00 0.00 H new ATOM 0 H5'' G A 2 24.258 24.686 16.987 1.00 0.00 H new ATOM 0 H4' G A 2 22.032 25.127 18.101 1.00 0.00 H new ATOM 0 H3' G A 2 24.745 25.415 19.456 1.00 0.00 H new ATOM 0 H2' G A 2 23.558 26.052 21.545 1.00 0.00 H new ATOM 0 HO2' G A 2 21.973 27.238 19.859 1.00 0.00 H new ATOM 0 H1' G A 2 21.463 24.282 21.335 1.00 0.00 H new ATOM 0 H8 G A 2 24.042 21.887 20.530 1.00 0.00 H new ATOM 0 H1 G A 2 24.980 24.298 26.395 1.00 0.00 H new ATOM 0 H21 G A 2 22.676 26.724 25.427 1.00 0.00 H new ATOM 0 H22 G A 2 23.739 26.093 26.689 1.00 0.00 H new ATOM 67 P A A 3 24.861 28.015 19.029 1.00 0.00 P ATOM 68 OP1 A A 3 24.911 28.983 17.911 1.00 0.00 O ATOM 69 OP2 A A 3 26.096 27.285 19.396 1.00 0.00 O ATOM 70 O5' A A 3 24.313 28.773 20.341 1.00 0.00 O ATOM 71 C5' A A 3 23.426 29.888 20.231 1.00 0.00 C ATOM 72 C4' A A 3 23.130 30.538 21.577 1.00 0.00 C ATOM 73 O4' A A 3 22.620 29.583 22.512 1.00 0.00 O ATOM 74 C3' A A 3 24.378 31.162 22.193 1.00 0.00 C ATOM 75 O3' A A 3 24.571 32.512 21.763 1.00 0.00 O ATOM 76 C2' A A 3 24.045 31.089 23.680 1.00 0.00 C ATOM 77 O2' A A 3 23.166 32.144 24.079 1.00 0.00 O ATOM 78 C1' A A 3 23.346 29.735 23.735 1.00 0.00 C ATOM 79 N9 A A 3 24.340 28.656 23.889 1.00 0.00 N ATOM 80 C8 A A 3 24.719 27.696 22.986 1.00 0.00 C ATOM 81 N7 A A 3 25.636 26.878 23.422 1.00 0.00 N ATOM 82 C5 A A 3 25.888 27.333 24.712 1.00 0.00 C ATOM 83 C6 A A 3 26.759 26.911 25.728 1.00 0.00 C ATOM 84 N6 A A 3 27.577 25.866 25.598 1.00 0.00 N ATOM 85 N1 A A 3 26.749 27.593 26.881 1.00 0.00 N ATOM 86 C2 A A 3 25.942 28.629 27.040 1.00 0.00 C ATOM 87 N3 A A 3 25.079 29.119 26.164 1.00 0.00 N ATOM 88 C4 A A 3 25.103 28.417 25.006 1.00 0.00 C ATOM 0 H5' A A 3 22.491 29.560 19.777 1.00 0.00 H new ATOM 0 H5'' A A 3 23.862 30.630 19.562 1.00 0.00 H new ATOM 0 H4' A A 3 22.389 31.312 21.380 1.00 0.00 H new ATOM 0 H3' A A 3 25.305 30.661 21.915 1.00 0.00 H new ATOM 0 H2' A A 3 24.904 31.192 24.343 1.00 0.00 H new ATOM 0 HO2' A A 3 23.314 32.927 23.508 1.00 0.00 H new ATOM 0 H1' A A 3 22.669 29.681 24.588 1.00 0.00 H new ATOM 0 H8 A A 3 24.293 27.624 21.996 1.00 0.00 H new ATOM 0 H61 A A 3 28.191 25.600 26.368 1.00 0.00 H new ATOM 0 H62 A A 3 27.588 25.332 24.729 1.00 0.00 H new ATOM 0 H2 A A 3 25.993 29.133 27.994 1.00 0.00 H new ATOM 100 P G A 4 26.055 33.106 21.575 1.00 0.00 P ATOM 101 OP1 G A 4 25.948 34.512 21.124 1.00 0.00 O ATOM 102 OP2 G A 4 26.826 32.144 20.757 1.00 0.00 O ATOM 103 O5' G A 4 26.620 33.103 23.082 1.00 0.00 O ATOM 104 C5' G A 4 26.194 34.099 24.016 1.00 0.00 C ATOM 105 C4' G A 4 26.839 33.936 25.388 1.00 0.00 C ATOM 106 O4' G A 4 26.529 32.659 25.950 1.00 0.00 O ATOM 107 C3' G A 4 28.358 34.028 25.294 1.00 0.00 C ATOM 108 O3' G A 4 28.828 35.377 25.343 1.00 0.00 O ATOM 109 C2' G A 4 28.782 33.237 26.528 1.00 0.00 C ATOM 110 O2' G A 4 28.787 34.058 27.699 1.00 0.00 O ATOM 111 C1' G A 4 27.705 32.159 26.592 1.00 0.00 C ATOM 112 N9 G A 4 28.173 30.924 25.935 1.00 0.00 N ATOM 113 C8 G A 4 27.969 30.500 24.647 1.00 0.00 C ATOM 114 N7 G A 4 28.546 29.369 24.351 1.00 0.00 N ATOM 115 C5 G A 4 29.182 29.014 25.536 1.00 0.00 C ATOM 116 C6 G A 4 29.974 27.873 25.824 1.00 0.00 C ATOM 117 O6 G A 4 30.259 26.931 25.088 1.00 0.00 O ATOM 118 N1 G A 4 30.434 27.886 27.134 1.00 0.00 N ATOM 119 C2 G A 4 30.161 28.880 28.053 1.00 0.00 C ATOM 120 N2 G A 4 30.676 28.727 29.273 1.00 0.00 N ATOM 121 N3 G A 4 29.412 29.958 27.785 1.00 0.00 N ATOM 122 C4 G A 4 28.961 29.955 26.508 1.00 0.00 C ATOM 0 H5' G A 4 25.110 34.052 24.121 1.00 0.00 H new ATOM 0 H5'' G A 4 26.434 35.087 23.622 1.00 0.00 H new ATOM 0 H4' G A 4 26.446 34.737 26.015 1.00 0.00 H new ATOM 0 H3' G A 4 28.762 33.649 24.355 1.00 0.00 H new ATOM 0 H2' G A 4 29.795 32.839 26.474 1.00 0.00 H new ATOM 0 HO2' G A 4 29.531 34.694 27.650 1.00 0.00 H new ATOM 0 H1' G A 4 27.482 31.916 27.631 1.00 0.00 H new ATOM 0 H8 G A 4 27.378 31.058 23.935 1.00 0.00 H new ATOM 0 H1 G A 4 31.015 27.105 27.439 1.00 0.00 H new ATOM 0 H21 G A 4 30.506 29.432 29.991 1.00 0.00 H new ATOM 0 H22 G A 4 31.241 27.905 29.489 1.00 0.00 H new ATOM 134 P A A 5 30.379 35.727 25.089 1.00 0.00 P ATOM 135 OP1 A A 5 30.511 37.196 24.979 1.00 0.00 O ATOM 136 OP2 A A 5 30.883 34.876 23.987 1.00 0.00 O ATOM 137 O5' A A 5 31.069 35.258 26.466 1.00 0.00 O ATOM 138 C5' A A 5 32.413 34.770 26.487 1.00 0.00 C ATOM 139 C4' A A 5 32.740 34.060 27.796 1.00 0.00 C ATOM 140 O4' A A 5 31.878 32.930 27.958 1.00 0.00 O ATOM 141 C3' A A 5 34.182 33.565 27.810 1.00 0.00 C ATOM 142 O3' A A 5 35.073 34.515 28.400 1.00 0.00 O ATOM 143 C2' A A 5 34.080 32.299 28.653 1.00 0.00 C ATOM 144 O2' A A 5 34.212 32.578 30.049 1.00 0.00 O ATOM 145 C1' A A 5 32.677 31.801 28.320 1.00 0.00 C ATOM 146 N9 A A 5 32.715 30.817 27.221 1.00 0.00 N ATOM 147 C8 A A 5 32.072 30.847 26.011 1.00 0.00 C ATOM 148 N7 A A 5 32.308 29.817 25.246 1.00 0.00 N ATOM 149 C5 A A 5 33.175 29.047 26.013 1.00 0.00 C ATOM 150 C6 A A 5 33.812 27.815 25.788 1.00 0.00 C ATOM 151 N6 A A 5 33.654 27.111 24.667 1.00 0.00 N ATOM 152 N1 A A 5 34.604 27.343 26.758 1.00 0.00 N ATOM 153 C2 A A 5 34.774 28.021 27.882 1.00 0.00 C ATOM 154 N3 A A 5 34.228 29.181 28.210 1.00 0.00 N ATOM 155 C4 A A 5 33.432 29.646 27.218 1.00 0.00 C ATOM 0 H5' A A 5 33.103 35.601 26.343 1.00 0.00 H new ATOM 0 H5'' A A 5 32.563 34.083 25.654 1.00 0.00 H new ATOM 0 H4' A A 5 32.598 34.775 28.607 1.00 0.00 H new ATOM 0 H3' A A 5 34.588 33.400 26.812 1.00 0.00 H new ATOM 0 H2' A A 5 34.867 31.575 28.441 1.00 0.00 H new ATOM 0 HO2' A A 5 34.626 33.458 30.169 1.00 0.00 H new ATOM 0 H1' A A 5 32.247 31.301 29.188 1.00 0.00 H new ATOM 0 H8 A A 5 31.423 31.658 25.715 1.00 0.00 H new ATOM 0 H61 A A 5 34.139 26.221 24.551 1.00 0.00 H new ATOM 0 H62 A A 5 33.048 27.462 23.925 1.00 0.00 H new ATOM 0 H2 A A 5 35.433 27.577 28.614 1.00 0.00 H new ATOM 167 P G A 6 35.579 35.808 27.584 1.00 0.00 P ATOM 168 OP1 G A 6 34.846 36.991 28.089 1.00 0.00 O ATOM 169 OP2 G A 6 35.544 35.505 26.135 1.00 0.00 O ATOM 170 O5' G A 6 37.120 35.904 28.041 1.00 0.00 O ATOM 171 C5' G A 6 38.150 35.261 27.284 1.00 0.00 C ATOM 172 C4' G A 6 38.586 33.931 27.889 1.00 0.00 C ATOM 173 O4' G A 6 37.477 33.034 28.007 1.00 0.00 O ATOM 174 C3' G A 6 39.646 33.269 27.016 1.00 0.00 C ATOM 175 O3' G A 6 40.966 33.619 27.440 1.00 0.00 O ATOM 176 C2' G A 6 39.358 31.783 27.209 1.00 0.00 C ATOM 177 O2' G A 6 40.054 31.258 28.342 1.00 0.00 O ATOM 178 C1' G A 6 37.851 31.778 27.435 1.00 0.00 C ATOM 179 N9 G A 6 37.131 31.550 26.168 1.00 0.00 N ATOM 180 C8 G A 6 36.513 32.466 25.357 1.00 0.00 C ATOM 181 N7 G A 6 35.955 31.956 24.294 1.00 0.00 N ATOM 182 C5 G A 6 36.223 30.597 24.410 1.00 0.00 C ATOM 183 C6 G A 6 35.864 29.531 23.544 1.00 0.00 C ATOM 184 O6 G A 6 35.236 29.586 22.488 1.00 0.00 O ATOM 185 N1 G A 6 36.325 28.311 24.016 1.00 0.00 N ATOM 186 C2 G A 6 37.045 28.137 25.182 1.00 0.00 C ATOM 187 N2 G A 6 37.407 26.889 25.479 1.00 0.00 N ATOM 188 N3 G A 6 37.386 29.142 25.998 1.00 0.00 N ATOM 189 C4 G A 6 36.941 30.339 25.548 1.00 0.00 C ATOM 0 H5' G A 6 39.012 35.924 27.216 1.00 0.00 H new ATOM 0 H5'' G A 6 37.796 35.093 26.267 1.00 0.00 H new ATOM 0 H4' G A 6 38.993 34.141 28.878 1.00 0.00 H new ATOM 0 H3' G A 6 39.605 33.578 25.972 1.00 0.00 H new ATOM 0 H2' G A 6 39.680 31.163 26.372 1.00 0.00 H new ATOM 0 HO2' G A 6 41.018 31.265 28.166 1.00 0.00 H new ATOM 0 H1' G A 6 37.584 30.967 28.112 1.00 0.00 H new ATOM 0 H8 G A 6 36.490 33.523 25.580 1.00 0.00 H new ATOM 0 H1 G A 6 36.117 27.481 23.461 1.00 0.00 H new ATOM 0 H21 G A 6 37.940 26.701 26.328 1.00 0.00 H new ATOM 0 H22 G A 6 37.151 26.122 24.857 1.00 0.00 H new HETATM 201 P H2U A 7 42.253 33.256 26.544 1.00 0.00 P HETATM 202 OP1 H2U A 7 43.405 34.035 27.049 1.00 0.00 O HETATM 203 OP2 H2U A 7 41.882 33.364 25.116 1.00 0.00 O HETATM 204 O5' H2U A 7 42.494 31.702 26.891 1.00 0.00 O HETATM 205 C5' H2U A 7 43.417 30.927 26.121 1.00 0.00 C HETATM 206 C4' H2U A 7 43.554 29.509 26.665 1.00 0.00 C HETATM 207 O4' H2U A 7 42.291 28.842 26.645 1.00 0.00 O HETATM 208 C3' H2U A 7 44.539 28.700 25.828 1.00 0.00 C HETATM 209 O3' H2U A 7 45.276 27.786 26.644 1.00 0.00 O HETATM 210 C1' H2U A 7 42.382 27.746 25.730 1.00 0.00 C HETATM 211 C2' H2U A 7 43.612 27.973 24.860 1.00 0.00 C HETATM 212 O2' H2U A 7 44.183 26.745 24.399 1.00 0.00 O HETATM 213 N1 H2U A 7 41.162 27.625 24.912 1.00 0.00 N HETATM 214 C2 H2U A 7 40.667 26.358 24.657 1.00 0.00 C HETATM 215 O2 H2U A 7 41.095 25.362 25.237 1.00 0.00 O HETATM 216 N3 H2U A 7 39.697 26.269 23.669 1.00 0.00 N HETATM 217 C4 H2U A 7 39.211 27.342 22.935 1.00 0.00 C HETATM 218 O4 H2U A 7 38.209 27.229 22.233 1.00 0.00 O HETATM 219 C5 H2U A 7 39.971 28.641 23.007 1.00 0.00 C HETATM 220 C6 H2U A 7 40.493 28.833 24.427 1.00 0.00 C HETATM 0 HO2' H2U A 7 44.865 26.442 25.035 1.00 0.00 H new HETATM 0 H5'' H2U A 7 43.083 30.888 25.084 1.00 0.00 H new HETATM 0 HN3 H2U A 7 39.312 25.346 23.467 1.00 0.00 H new HETATM 0 H62 H2U A 7 39.666 29.085 25.091 1.00 0.00 H new HETATM 0 H61 H2U A 7 41.188 29.672 24.451 1.00 0.00 H new HETATM 0 H52 H2U A 7 40.800 28.632 22.299 1.00 0.00 H new HETATM 0 H51 H2U A 7 39.323 29.472 22.728 1.00 0.00 H new HETATM 0 H5' H2U A 7 44.392 31.414 26.124 1.00 0.00 H new HETATM 0 H4' H2U A 7 43.919 29.584 27.689 1.00 0.00 H new HETATM 0 H3' H2U A 7 45.299 29.302 25.329 1.00 0.00 H new HETATM 0 H2' H2U A 7 43.405 28.524 23.943 1.00 0.00 H new HETATM 0 H1' H2U A 7 42.477 26.808 26.278 1.00 0.00 H new ATOM 233 P G A 8 46.801 27.416 26.282 1.00 0.00 P ATOM 234 OP1 G A 8 47.272 26.380 27.228 1.00 0.00 O ATOM 235 OP2 G A 8 47.577 28.667 26.136 1.00 0.00 O ATOM 236 O5' G A 8 46.653 26.749 24.824 1.00 0.00 O ATOM 237 C5' G A 8 47.796 26.210 24.155 1.00 0.00 C ATOM 238 C4' G A 8 47.758 24.686 24.101 1.00 0.00 C ATOM 239 O4' G A 8 47.771 24.143 25.424 1.00 0.00 O ATOM 240 C3' G A 8 46.506 24.213 23.373 1.00 0.00 C ATOM 241 O3' G A 8 46.820 23.842 22.028 1.00 0.00 O ATOM 242 C2' G A 8 46.048 23.014 24.196 1.00 0.00 C ATOM 243 O2' G A 8 46.551 21.792 23.649 1.00 0.00 O ATOM 244 C1' G A 8 46.634 23.289 25.577 1.00 0.00 C ATOM 245 N9 G A 8 45.649 23.917 26.478 1.00 0.00 N ATOM 246 C8 G A 8 44.633 24.789 26.188 1.00 0.00 C ATOM 247 N7 G A 8 43.962 25.206 27.227 1.00 0.00 N ATOM 248 C5 G A 8 44.584 24.556 28.288 1.00 0.00 C ATOM 249 C6 G A 8 44.291 24.615 29.675 1.00 0.00 C ATOM 250 O6 G A 8 43.429 25.280 30.243 1.00 0.00 O ATOM 251 N1 G A 8 45.148 23.811 30.414 1.00 0.00 N ATOM 252 C2 G A 8 46.165 23.042 29.884 1.00 0.00 C ATOM 253 N2 G A 8 46.893 22.332 30.745 1.00 0.00 N ATOM 254 N3 G A 8 46.443 22.987 28.575 1.00 0.00 N ATOM 255 C4 G A 8 45.612 23.767 27.844 1.00 0.00 C ATOM 0 H5' G A 8 48.702 26.532 24.668 1.00 0.00 H new ATOM 0 H5'' G A 8 47.844 26.608 23.141 1.00 0.00 H new ATOM 0 H4' G A 8 48.639 24.340 23.561 1.00 0.00 H new ATOM 0 H3' G A 8 45.734 24.979 23.293 1.00 0.00 H new ATOM 0 H2' G A 8 44.964 22.897 24.214 1.00 0.00 H new ATOM 0 HO2' G A 8 45.806 21.179 23.477 1.00 0.00 H new ATOM 0 H1' G A 8 46.923 22.340 26.029 1.00 0.00 H new ATOM 0 H8 G A 8 44.406 25.106 25.181 1.00 0.00 H new ATOM 0 H1 G A 8 45.016 23.786 31.425 1.00 0.00 H new ATOM 0 H21 G A 8 47.657 21.747 30.406 1.00 0.00 H new ATOM 0 H22 G A 8 46.687 22.374 31.743 1.00 0.00 H new ATOM 267 P G A 9 45.837 24.203 20.805 1.00 0.00 P ATOM 268 OP1 G A 9 46.664 24.545 19.627 1.00 0.00 O ATOM 269 OP2 G A 9 44.822 25.170 21.281 1.00 0.00 O ATOM 270 O5' G A 9 45.113 22.793 20.525 1.00 0.00 O ATOM 271 C5' G A 9 43.774 22.549 20.965 1.00 0.00 C ATOM 272 C4' G A 9 43.576 21.119 21.456 1.00 0.00 C ATOM 273 O4' G A 9 44.256 20.914 22.697 1.00 0.00 O ATOM 274 C3' G A 9 42.091 20.838 21.656 1.00 0.00 C ATOM 275 O3' G A 9 41.516 20.225 20.499 1.00 0.00 O ATOM 276 C2' G A 9 42.077 19.893 22.854 1.00 0.00 C ATOM 277 O2' G A 9 41.967 18.527 22.448 1.00 0.00 O ATOM 278 C1' G A 9 43.403 20.156 23.560 1.00 0.00 C ATOM 279 N9 G A 9 43.187 20.869 24.833 1.00 0.00 N ATOM 280 C8 G A 9 42.590 22.084 25.053 1.00 0.00 C ATOM 281 N7 G A 9 42.549 22.444 26.305 1.00 0.00 N ATOM 282 C5 G A 9 43.165 21.387 26.966 1.00 0.00 C ATOM 283 C6 G A 9 43.419 21.213 28.351 1.00 0.00 C ATOM 284 O6 G A 9 43.109 21.948 29.285 1.00 0.00 O ATOM 285 N1 G A 9 44.077 20.017 28.603 1.00 0.00 N ATOM 286 C2 G A 9 44.442 19.098 27.639 1.00 0.00 C ATOM 287 N2 G A 9 45.079 18.009 28.071 1.00 0.00 N ATOM 288 N3 G A 9 44.197 19.256 26.332 1.00 0.00 N ATOM 289 C4 G A 9 43.560 20.422 26.077 1.00 0.00 C ATOM 0 H5' G A 9 43.083 22.748 20.146 1.00 0.00 H new ATOM 0 H5'' G A 9 43.526 23.244 21.767 1.00 0.00 H new ATOM 0 H4' G A 9 43.985 20.443 20.705 1.00 0.00 H new ATOM 0 H3' G A 9 41.503 21.741 21.818 1.00 0.00 H new ATOM 0 H2' G A 9 41.219 20.068 23.503 1.00 0.00 H new ATOM 0 HO2' G A 9 41.313 18.069 23.016 1.00 0.00 H new ATOM 0 H1' G A 9 43.879 19.203 23.790 1.00 0.00 H new ATOM 0 H8 G A 9 42.188 22.691 24.256 1.00 0.00 H new ATOM 0 H1 G A 9 44.308 19.801 29.573 1.00 0.00 H new ATOM 0 H21 G A 9 45.374 17.294 27.407 1.00 0.00 H new ATOM 0 H22 G A 9 45.271 17.891 29.066 1.00 0.00 H new ATOM 301 P A A 10 39.932 20.285 20.218 1.00 0.00 P ATOM 302 OP1 A A 10 39.715 20.258 18.754 1.00 0.00 O ATOM 303 OP2 A A 10 39.361 21.402 21.003 1.00 0.00 O ATOM 304 O5' A A 10 39.419 18.886 20.828 1.00 0.00 O ATOM 305 C5' A A 10 38.325 18.841 21.748 1.00 0.00 C ATOM 306 C4' A A 10 38.570 17.855 22.884 1.00 0.00 C ATOM 307 O4' A A 10 39.724 18.220 23.647 1.00 0.00 O ATOM 308 C3' A A 10 37.371 17.804 23.824 1.00 0.00 C ATOM 309 O3' A A 10 36.443 16.779 23.453 1.00 0.00 O ATOM 310 C2' A A 10 38.019 17.496 25.169 1.00 0.00 C ATOM 311 O2' A A 10 38.112 16.084 25.380 1.00 0.00 O ATOM 312 C1' A A 10 39.398 18.133 25.036 1.00 0.00 C ATOM 313 N9 A A 10 39.432 19.470 25.658 1.00 0.00 N ATOM 314 C8 A A 10 39.883 19.826 26.904 1.00 0.00 C ATOM 315 N7 A A 10 39.778 21.097 27.174 1.00 0.00 N ATOM 316 C5 A A 10 39.213 21.622 26.015 1.00 0.00 C ATOM 317 C6 A A 10 38.831 22.920 25.643 1.00 0.00 C ATOM 318 N6 A A 10 38.970 23.969 26.453 1.00 0.00 N ATOM 319 N1 A A 10 38.301 23.086 24.424 1.00 0.00 N ATOM 320 C2 A A 10 38.148 22.052 23.611 1.00 0.00 C ATOM 321 N3 A A 10 38.463 20.788 23.849 1.00 0.00 N ATOM 322 C4 A A 10 38.996 20.640 25.085 1.00 0.00 C ATOM 0 H5' A A 10 37.416 18.561 21.216 1.00 0.00 H new ATOM 0 H5'' A A 10 38.159 19.836 22.162 1.00 0.00 H new ATOM 0 H4' A A 10 38.728 16.877 22.429 1.00 0.00 H new ATOM 0 H3' A A 10 36.785 18.723 23.817 1.00 0.00 H new ATOM 0 H2' A A 10 37.455 17.876 26.021 1.00 0.00 H new ATOM 0 HO2' A A 10 37.544 15.618 24.731 1.00 0.00 H new ATOM 0 H1' A A 10 40.131 17.516 25.556 1.00 0.00 H new ATOM 0 H8 A A 10 40.291 19.112 27.604 1.00 0.00 H new ATOM 0 H61 A A 10 38.679 24.896 26.142 1.00 0.00 H new ATOM 0 H62 A A 10 39.367 23.845 27.384 1.00 0.00 H new ATOM 0 H2 A A 10 37.717 22.264 22.644 1.00 0.00 H new ATOM 334 P A A 11 34.854 17.008 23.571 1.00 0.00 P ATOM 335 OP1 A A 11 34.207 15.684 23.703 1.00 0.00 O ATOM 336 OP2 A A 11 34.429 17.908 22.475 1.00 0.00 O ATOM 337 O5' A A 11 34.699 17.797 24.966 1.00 0.00 O ATOM 338 C5' A A 11 34.992 17.154 26.210 1.00 0.00 C ATOM 339 C4' A A 11 35.294 18.157 27.319 1.00 0.00 C ATOM 340 O4' A A 11 36.330 19.056 26.919 1.00 0.00 O ATOM 341 C3' A A 11 34.055 18.975 27.667 1.00 0.00 C ATOM 342 O3' A A 11 33.324 18.388 28.746 1.00 0.00 O ATOM 343 C2' A A 11 34.655 20.321 28.058 1.00 0.00 C ATOM 344 O2' A A 11 35.008 20.347 29.443 1.00 0.00 O ATOM 345 C1' A A 11 35.883 20.394 27.157 1.00 0.00 C ATOM 346 N9 A A 11 35.565 21.069 25.885 1.00 0.00 N ATOM 347 C8 A A 11 35.231 20.515 24.676 1.00 0.00 C ATOM 348 N7 A A 11 34.995 21.378 23.729 1.00 0.00 N ATOM 349 C5 A A 11 35.184 22.604 24.358 1.00 0.00 C ATOM 350 C6 A A 11 35.088 23.932 23.912 1.00 0.00 C ATOM 351 N6 A A 11 34.773 24.275 22.663 1.00 0.00 N ATOM 352 N1 A A 11 35.344 24.899 24.802 1.00 0.00 N ATOM 353 C2 A A 11 35.673 24.598 26.049 1.00 0.00 C ATOM 354 N3 A A 11 35.794 23.393 26.583 1.00 0.00 N ATOM 355 C4 A A 11 35.533 22.427 25.671 1.00 0.00 C ATOM 0 H5' A A 11 35.846 16.489 26.081 1.00 0.00 H new ATOM 0 H5'' A A 11 34.146 16.533 26.504 1.00 0.00 H new ATOM 0 H4' A A 11 35.614 17.588 28.192 1.00 0.00 H new ATOM 0 H3' A A 11 33.333 19.042 26.853 1.00 0.00 H new ATOM 0 H2' A A 11 33.975 21.164 27.933 1.00 0.00 H new ATOM 0 HO2' A A 11 35.391 21.221 29.667 1.00 0.00 H new ATOM 0 H1' A A 11 36.667 20.976 27.642 1.00 0.00 H new ATOM 0 H8 A A 11 35.169 19.448 24.521 1.00 0.00 H new ATOM 0 H61 A A 11 34.720 25.260 22.403 1.00 0.00 H new ATOM 0 H62 A A 11 34.585 23.553 21.968 1.00 0.00 H new ATOM 0 H2 A A 11 35.865 25.433 26.707 1.00 0.00 H new ATOM 367 P C A 12 31.817 18.857 29.070 1.00 0.00 P ATOM 368 OP1 C A 12 31.224 17.898 30.028 1.00 0.00 O ATOM 369 OP2 C A 12 31.124 19.130 27.791 1.00 0.00 O ATOM 370 O5' C A 12 32.048 20.262 29.821 1.00 0.00 O ATOM 371 C5' C A 12 32.798 20.321 31.037 1.00 0.00 C ATOM 372 C4' C A 12 33.016 21.755 31.507 1.00 0.00 C ATOM 373 O4' C A 12 33.601 22.549 30.472 1.00 0.00 O ATOM 374 C3' C A 12 31.694 22.405 31.899 1.00 0.00 C ATOM 375 O3' C A 12 31.360 22.150 33.266 1.00 0.00 O ATOM 376 C2' C A 12 31.997 23.879 31.652 1.00 0.00 C ATOM 377 O2' C A 12 32.678 24.477 32.759 1.00 0.00 O ATOM 378 C1' C A 12 32.905 23.798 30.429 1.00 0.00 C ATOM 379 N1 C A 12 32.114 23.916 29.190 1.00 0.00 N ATOM 380 C2 C A 12 31.986 25.178 28.636 1.00 0.00 C ATOM 381 O2 C A 12 32.545 26.145 29.151 1.00 0.00 O ATOM 382 N3 C A 12 31.234 25.319 27.514 1.00 0.00 N ATOM 383 C4 C A 12 30.630 24.263 26.955 1.00 0.00 C ATOM 384 N4 C A 12 29.856 24.457 25.887 1.00 0.00 N ATOM 385 C5 C A 12 30.763 22.951 27.516 1.00 0.00 C ATOM 386 C6 C A 12 31.513 22.826 28.631 1.00 0.00 C ATOM 0 H5' C A 12 33.764 19.837 30.891 1.00 0.00 H new ATOM 0 H5'' C A 12 32.275 19.761 31.813 1.00 0.00 H new ATOM 0 H4' C A 12 33.683 21.709 32.368 1.00 0.00 H new ATOM 0 H3' C A 12 30.834 22.031 31.344 1.00 0.00 H new ATOM 0 H2' C A 12 31.107 24.493 31.515 1.00 0.00 H new ATOM 0 HO2' C A 12 32.564 23.916 33.555 1.00 0.00 H new ATOM 0 H1' C A 12 33.621 24.620 30.438 1.00 0.00 H new ATOM 0 H41 C A 12 29.387 23.666 25.446 1.00 0.00 H new ATOM 0 H42 C A 12 29.733 25.397 25.510 1.00 0.00 H new ATOM 0 H5 C A 12 30.282 22.096 27.064 1.00 0.00 H new ATOM 0 H6 C A 12 31.639 21.854 29.085 1.00 0.00 H new ATOM 398 P U A 13 29.864 21.719 33.677 1.00 0.00 P ATOM 399 OP1 U A 13 29.917 21.153 35.043 1.00 0.00 O ATOM 400 OP2 U A 13 29.283 20.909 32.583 1.00 0.00 O ATOM 401 O5' U A 13 29.098 23.134 33.724 1.00 0.00 O ATOM 402 C5' U A 13 29.163 23.960 34.890 1.00 0.00 C ATOM 403 C4' U A 13 28.433 25.284 34.694 1.00 0.00 C ATOM 404 O4' U A 13 29.029 26.054 33.647 1.00 0.00 O ATOM 405 C3' U A 13 26.970 25.063 34.324 1.00 0.00 C ATOM 406 O3' U A 13 26.138 24.930 35.479 1.00 0.00 O ATOM 407 C2' U A 13 26.658 26.335 33.543 1.00 0.00 C ATOM 408 O2' U A 13 26.312 27.423 34.406 1.00 0.00 O ATOM 409 C1' U A 13 27.984 26.603 32.840 1.00 0.00 C ATOM 410 N1 U A 13 27.990 26.003 31.493 1.00 0.00 N ATOM 411 C2 U A 13 27.553 26.788 30.442 1.00 0.00 C ATOM 412 O2 U A 13 27.204 27.957 30.589 1.00 0.00 O ATOM 413 N3 U A 13 27.553 26.180 29.194 1.00 0.00 N ATOM 414 C4 U A 13 27.943 24.877 28.918 1.00 0.00 C ATOM 415 O4 U A 13 27.905 24.441 27.770 1.00 0.00 O ATOM 416 C5 U A 13 28.384 24.143 30.081 1.00 0.00 C ATOM 417 C6 U A 13 28.391 24.711 31.304 1.00 0.00 C ATOM 0 H5' U A 13 30.206 24.155 35.139 1.00 0.00 H new ATOM 0 H5'' U A 13 28.728 23.428 35.736 1.00 0.00 H new ATOM 0 H4' U A 13 28.504 25.816 35.643 1.00 0.00 H new ATOM 0 H3' U A 13 26.791 24.144 33.766 1.00 0.00 H new ATOM 0 H2' U A 13 25.805 26.231 32.873 1.00 0.00 H new ATOM 0 HO2' U A 13 25.575 27.933 34.010 1.00 0.00 H new ATOM 0 H1' U A 13 28.134 27.676 32.716 1.00 0.00 H new ATOM 0 H3 U A 13 27.236 26.744 28.405 1.00 0.00 H new ATOM 0 H5 U A 13 28.714 23.121 29.969 1.00 0.00 H new ATOM 0 H6 U A 13 28.721 24.131 32.153 1.00 0.00 H new ATOM 428 P C A 14 24.796 24.043 35.415 1.00 0.00 P ATOM 429 OP1 C A 14 24.093 24.170 36.710 1.00 0.00 O ATOM 430 OP2 C A 14 25.145 22.695 34.912 1.00 0.00 O ATOM 431 O5' C A 14 23.937 24.801 34.283 1.00 0.00 O ATOM 432 C5' C A 14 23.413 26.110 34.526 1.00 0.00 C ATOM 433 C4' C A 14 22.955 26.794 33.243 1.00 0.00 C ATOM 434 O4' C A 14 24.028 26.875 32.300 1.00 0.00 O ATOM 435 C3' C A 14 21.826 26.018 32.574 1.00 0.00 C ATOM 436 O3' C A 14 20.545 26.352 33.118 1.00 0.00 O ATOM 437 C2' C A 14 21.970 26.471 31.125 1.00 0.00 C ATOM 438 O2' C A 14 21.230 27.671 30.879 1.00 0.00 O ATOM 439 C1' C A 14 23.475 26.684 30.995 1.00 0.00 C ATOM 440 N1 C A 14 24.111 25.534 30.326 1.00 0.00 N ATOM 441 C2 C A 14 24.352 25.639 28.968 1.00 0.00 C ATOM 442 O2 C A 14 24.040 26.668 28.371 1.00 0.00 O ATOM 443 N3 C A 14 24.914 24.587 28.321 1.00 0.00 N ATOM 444 C4 C A 14 25.228 23.463 28.977 1.00 0.00 C ATOM 445 N4 C A 14 25.763 22.446 28.302 1.00 0.00 N ATOM 446 C5 C A 14 24.980 23.342 30.383 1.00 0.00 C ATOM 447 C6 C A 14 24.426 24.399 31.016 1.00 0.00 C ATOM 0 H5' C A 14 24.176 26.721 35.009 1.00 0.00 H new ATOM 0 H5'' C A 14 22.574 26.041 35.218 1.00 0.00 H new ATOM 0 H4' C A 14 22.613 27.789 33.526 1.00 0.00 H new ATOM 0 H3' C A 14 21.888 24.938 32.710 1.00 0.00 H new ATOM 0 H2' C A 14 21.578 25.758 30.400 1.00 0.00 H new ATOM 0 HO2' C A 14 20.795 27.962 31.707 1.00 0.00 H new ATOM 0 H1' C A 14 23.664 27.567 30.384 1.00 0.00 H new ATOM 0 H41 C A 14 26.007 21.583 28.788 1.00 0.00 H new ATOM 0 H42 C A 14 25.928 22.530 27.299 1.00 0.00 H new ATOM 0 H5 C A 14 25.227 22.437 30.918 1.00 0.00 H new ATOM 0 H6 C A 14 24.231 24.346 32.077 1.00 0.00 H new ATOM 459 P C A 15 19.306 25.333 32.974 1.00 0.00 P ATOM 460 OP1 C A 15 18.204 25.783 33.854 1.00 0.00 O ATOM 461 OP2 C A 15 19.825 23.955 33.118 1.00 0.00 O ATOM 462 O5' C A 15 18.872 25.560 31.441 1.00 0.00 O ATOM 463 C5' C A 15 18.119 26.713 31.056 1.00 0.00 C ATOM 464 C4' C A 15 17.707 26.672 29.589 1.00 0.00 C ATOM 465 O4' C A 15 18.852 26.722 28.734 1.00 0.00 O ATOM 466 C3' C A 15 16.930 25.401 29.261 1.00 0.00 C ATOM 467 O3' C A 15 15.528 25.549 29.500 1.00 0.00 O ATOM 468 C2' C A 15 17.240 25.224 27.778 1.00 0.00 C ATOM 469 O2' C A 15 16.346 25.975 26.951 1.00 0.00 O ATOM 470 C1' C A 15 18.663 25.763 27.691 1.00 0.00 C ATOM 471 N1 C A 15 19.645 24.670 27.827 1.00 0.00 N ATOM 472 C2 C A 15 20.151 24.107 26.669 1.00 0.00 C ATOM 473 O2 C A 15 19.791 24.529 25.573 1.00 0.00 O ATOM 474 N3 C A 15 21.063 23.107 26.782 1.00 0.00 N ATOM 475 C4 C A 15 21.472 22.678 27.982 1.00 0.00 C ATOM 476 N4 C A 15 22.385 21.709 28.057 1.00 0.00 N ATOM 477 C5 C A 15 20.956 23.258 29.186 1.00 0.00 C ATOM 478 C6 C A 15 20.045 24.246 29.061 1.00 0.00 C ATOM 0 H5' C A 15 18.712 27.609 31.240 1.00 0.00 H new ATOM 0 H5'' C A 15 17.228 26.787 31.679 1.00 0.00 H new ATOM 0 H4' C A 15 17.073 27.543 29.420 1.00 0.00 H new ATOM 0 H3' C A 15 17.209 24.546 29.876 1.00 0.00 H new ATOM 0 H2' C A 15 17.131 24.197 27.430 1.00 0.00 H new ATOM 0 HO2' C A 15 15.536 26.192 27.458 1.00 0.00 H new ATOM 0 HO3' C A 15 15.068 24.713 29.276 1.00 0.00 H new ATOM 0 H1' C A 15 18.813 26.232 26.718 1.00 0.00 H new ATOM 0 H41 C A 15 22.702 21.376 28.968 1.00 0.00 H new ATOM 0 H42 C A 15 22.766 21.300 27.204 1.00 0.00 H new ATOM 0 H5 C A 15 21.284 22.917 30.157 1.00 0.00 H new ATOM 0 H6 C A 15 19.629 24.705 29.946 1.00 0.00 H new TER 491 C A 15