USER MOD reduce.3.24.130724 H: found=0, std=0, add=183, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 183 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 U O2' : rot 180:sc= -2.25! USER MOD Single : A 1 U O5' : rot 180:sc= -0.252 USER MOD Single : A 2 G O2' : rot 180:sc= -2.86! USER MOD Single : A 3 A O2' : rot 180:sc= -2.33! USER MOD Single : A 4 G O2' : rot -151:sc= -1.85! USER MOD Single : A 5 C O2' : rot -151:sc= -1.83! USER MOD Single : A 6 U O2' : rot -142:sc= 0.0661 USER MOD Single : A 7 C O2' : rot -148:sc= 0.711 USER MOD Single : A 8 A O2' : rot -8:sc= -0.596 USER MOD Single : A 9 G O2' : rot -71:sc= -0.366 USER MOD Single : A 10 U O2' : rot -0:sc= 0.149 USER MOD Single : A 11 U O2' : rot 55:sc= -3.72! USER MOD Single : A 12 U O2' : rot -83:sc= -1.74! USER MOD Single : A 13 G O2' : rot 180:sc= -0.928 USER MOD Single : A 14 C O2' : rot -135:sc= 1.05 USER MOD Single : A 15 U O2' : rot -19:sc= -2.85! USER MOD Single : A 16 C O2' : rot -113:sc= 0.465 USER MOD Single : A 17 A O2' : rot -31:sc= 0.17 USER MOD Single : A 17 A O3' : rot 180:sc= 0.18 USER MOD ----------------------------------------------------------------- ATOM 1 O5' U A 1 17.935 29.120 16.585 1.00 0.36 O ATOM 2 C5' U A 1 17.430 30.321 17.160 1.00 0.33 C ATOM 3 C4' U A 1 16.621 30.060 18.428 1.00 0.27 C ATOM 4 O4' U A 1 15.391 29.417 18.129 1.00 0.33 O ATOM 5 C3' U A 1 17.385 29.178 19.400 1.00 0.21 C ATOM 6 O3' U A 1 18.252 29.965 20.225 1.00 0.22 O ATOM 7 C2' U A 1 16.240 28.538 20.181 1.00 0.25 C ATOM 8 O2' U A 1 15.821 29.362 21.274 1.00 0.30 O ATOM 9 C1' U A 1 15.150 28.427 19.125 1.00 0.29 C ATOM 10 N1 U A 1 15.125 27.085 18.508 1.00 0.31 N ATOM 11 C2 U A 1 14.443 26.087 19.178 1.00 0.37 C ATOM 12 O2 U A 1 13.918 26.272 20.272 1.00 0.46 O ATOM 13 N3 U A 1 14.374 24.864 18.545 1.00 0.43 N ATOM 14 C4 U A 1 14.923 24.548 17.314 1.00 0.47 C ATOM 15 O4 U A 1 14.798 23.420 16.839 1.00 0.58 O ATOM 16 C5 U A 1 15.629 25.647 16.684 1.00 0.45 C ATOM 17 C6 U A 1 15.710 26.857 17.286 1.00 0.37 C ATOM 0 H5' U A 1 16.803 30.835 16.431 1.00 0.33 H new ATOM 0 H5'' U A 1 18.261 30.987 17.392 1.00 0.33 H new ATOM 0 H4' U A 1 16.433 31.034 18.881 1.00 0.27 H new ATOM 0 H3' U A 1 18.051 28.447 18.940 1.00 0.21 H new ATOM 0 H2' U A 1 16.508 27.585 20.638 1.00 0.25 H new ATOM 0 HO2' U A 1 15.086 28.923 21.752 1.00 0.30 H new ATOM 0 HO5' U A 1 18.444 29.334 15.776 1.00 0.36 H new ATOM 0 H1' U A 1 14.180 28.584 19.597 1.00 0.29 H new ATOM 0 H3 U A 1 13.870 24.121 19.030 1.00 0.43 H new ATOM 0 H5 U A 1 16.096 25.498 15.722 1.00 0.45 H new ATOM 0 H6 U A 1 16.244 27.658 16.797 1.00 0.37 H new ATOM 29 P G A 2 19.644 29.364 20.765 1.00 0.22 P ATOM 30 OP1 G A 2 20.428 30.475 21.344 1.00 0.32 O ATOM 31 OP2 G A 2 20.247 28.530 19.711 1.00 0.28 O ATOM 32 O5' G A 2 19.150 28.418 21.963 1.00 0.25 O ATOM 33 C5' G A 2 18.267 28.920 22.963 1.00 0.25 C ATOM 34 C4' G A 2 17.677 27.798 23.789 1.00 0.22 C ATOM 35 O4' G A 2 16.863 26.945 22.989 1.00 0.26 O ATOM 36 C3' G A 2 18.793 26.944 24.377 1.00 0.20 C ATOM 37 O3' G A 2 19.283 27.478 25.601 1.00 0.22 O ATOM 38 C2' G A 2 18.080 25.609 24.557 1.00 0.21 C ATOM 39 O2' G A 2 17.334 25.588 25.770 1.00 0.26 O ATOM 40 C1' G A 2 17.161 25.589 23.337 1.00 0.23 C ATOM 41 N9 G A 2 17.803 24.883 22.203 1.00 0.23 N ATOM 42 C8 G A 2 18.480 25.400 21.131 1.00 0.25 C ATOM 43 N7 G A 2 18.933 24.514 20.295 1.00 0.28 N ATOM 44 C5 G A 2 18.527 23.309 20.855 1.00 0.25 C ATOM 45 C6 G A 2 18.731 21.982 20.390 1.00 0.29 C ATOM 46 O6 G A 2 19.306 21.615 19.371 1.00 0.34 O ATOM 47 N1 G A 2 18.163 21.054 21.245 1.00 0.29 N ATOM 48 C2 G A 2 17.477 21.360 22.395 1.00 0.29 C ATOM 49 N2 G A 2 16.978 20.337 23.074 1.00 0.35 N ATOM 50 N3 G A 2 17.283 22.600 22.842 1.00 0.27 N ATOM 51 C4 G A 2 17.837 23.523 22.019 1.00 0.23 C ATOM 0 H5' G A 2 17.465 29.488 22.491 1.00 0.25 H new ATOM 0 H5'' G A 2 18.805 29.609 23.614 1.00 0.25 H new ATOM 0 H4' G A 2 17.076 28.254 24.576 1.00 0.22 H new ATOM 0 H3' G A 2 19.688 26.881 23.758 1.00 0.20 H new ATOM 0 H2' G A 2 18.747 24.749 24.623 1.00 0.21 H new ATOM 0 HO2' G A 2 16.884 24.722 25.863 1.00 0.26 H new ATOM 0 H1' G A 2 16.242 25.051 23.570 1.00 0.23 H new ATOM 0 H8 G A 2 18.626 26.461 20.991 1.00 0.25 H new ATOM 0 H1 G A 2 18.261 20.068 21.003 1.00 0.29 H new ATOM 0 H21 G A 2 16.459 20.502 23.936 1.00 0.35 H new ATOM 0 H22 G A 2 17.113 19.385 22.734 1.00 0.35 H new ATOM 63 P A A 3 20.823 27.230 25.999 1.00 0.24 P ATOM 64 OP1 A A 3 21.152 28.010 27.210 1.00 0.30 O ATOM 65 OP2 A A 3 21.653 27.394 24.784 1.00 0.29 O ATOM 66 O5' A A 3 20.808 25.661 26.397 1.00 0.26 O ATOM 67 C5' A A 3 19.869 25.169 27.359 1.00 0.25 C ATOM 68 C4' A A 3 20.030 23.676 27.648 1.00 0.21 C ATOM 69 O4' A A 3 19.324 22.880 26.700 1.00 0.24 O ATOM 70 C3' A A 3 21.484 23.207 27.577 1.00 0.19 C ATOM 71 O3' A A 3 22.223 23.555 28.748 1.00 0.24 O ATOM 72 C2' A A 3 21.254 21.697 27.449 1.00 0.20 C ATOM 73 O2' A A 3 20.927 21.095 28.705 1.00 0.25 O ATOM 74 C1' A A 3 20.067 21.661 26.524 1.00 0.22 C ATOM 75 N9 A A 3 20.509 21.518 25.118 1.00 0.21 N ATOM 76 C8 A A 3 20.763 22.490 24.200 1.00 0.21 C ATOM 77 N7 A A 3 21.112 22.048 23.029 1.00 0.23 N ATOM 78 C5 A A 3 21.086 20.692 23.196 1.00 0.24 C ATOM 79 C6 A A 3 21.368 19.671 22.319 1.00 0.32 C ATOM 80 N6 A A 3 21.707 19.870 21.054 1.00 0.38 N ATOM 81 N1 A A 3 21.275 18.426 22.784 1.00 0.37 N ATOM 82 C2 A A 3 20.909 18.210 24.045 1.00 0.35 C ATOM 83 N3 A A 3 20.625 19.126 24.961 1.00 0.29 N ATOM 84 C4 A A 3 20.741 20.350 24.457 1.00 0.23 C ATOM 0 H5' A A 3 18.857 25.356 26.998 1.00 0.25 H new ATOM 0 H5'' A A 3 19.984 25.727 28.288 1.00 0.25 H new ATOM 0 H4' A A 3 19.638 23.552 28.657 1.00 0.21 H new ATOM 0 H3' A A 3 22.079 23.650 26.778 1.00 0.19 H new ATOM 0 H2' A A 3 22.130 21.151 27.099 1.00 0.20 H new ATOM 0 HO2' A A 3 20.787 20.133 28.580 1.00 0.25 H new ATOM 0 H1' A A 3 19.436 20.804 26.759 1.00 0.22 H new ATOM 0 H8 A A 3 20.681 23.543 24.426 1.00 0.21 H new ATOM 0 H61 A A 3 21.906 19.074 20.448 1.00 0.38 H new ATOM 0 H62 A A 3 21.769 20.819 20.686 1.00 0.38 H new ATOM 0 H2 A A 3 20.835 17.178 24.356 1.00 0.35 H new ATOM 96 P G A 4 23.810 23.677 28.640 1.00 0.28 P ATOM 97 OP1 G A 4 24.333 24.093 29.949 1.00 0.40 O ATOM 98 OP2 G A 4 24.131 24.489 27.443 1.00 0.30 O ATOM 99 O5' G A 4 24.249 22.151 28.372 1.00 0.28 O ATOM 100 C5' G A 4 23.789 21.122 29.249 1.00 0.28 C ATOM 101 C4' G A 4 23.866 19.743 28.605 1.00 0.26 C ATOM 102 O4' G A 4 23.052 19.639 27.436 1.00 0.29 O ATOM 103 C3' G A 4 25.283 19.413 28.173 1.00 0.24 C ATOM 104 O3' G A 4 26.088 19.001 29.280 1.00 0.25 O ATOM 105 C2' G A 4 24.998 18.283 27.196 1.00 0.27 C ATOM 106 O2' G A 4 24.724 17.054 27.883 1.00 0.35 O ATOM 107 C1' G A 4 23.755 18.825 26.492 1.00 0.26 C ATOM 108 N9 G A 4 24.153 19.599 25.294 1.00 0.24 N ATOM 109 C8 G A 4 24.284 20.945 25.142 1.00 0.25 C ATOM 110 N7 G A 4 24.690 21.333 23.973 1.00 0.27 N ATOM 111 C5 G A 4 24.837 20.139 23.280 1.00 0.24 C ATOM 112 C6 G A 4 25.267 19.916 21.949 1.00 0.27 C ATOM 113 O6 G A 4 25.600 20.739 21.103 1.00 0.34 O ATOM 114 N1 G A 4 25.299 18.564 21.649 1.00 0.26 N ATOM 115 C2 G A 4 24.948 17.553 22.516 1.00 0.25 C ATOM 116 N2 G A 4 25.042 16.309 22.056 1.00 0.29 N ATOM 117 N3 G A 4 24.552 17.756 23.770 1.00 0.25 N ATOM 118 C4 G A 4 24.519 19.067 24.083 1.00 0.23 C ATOM 0 H5' G A 4 22.759 21.328 29.541 1.00 0.28 H new ATOM 0 H5'' G A 4 24.386 21.130 30.161 1.00 0.28 H new ATOM 0 H4' G A 4 23.514 19.052 29.370 1.00 0.26 H new ATOM 0 H3' G A 4 25.851 20.241 27.749 1.00 0.24 H new ATOM 0 H2' G A 4 25.824 18.039 26.528 1.00 0.27 H new ATOM 0 HO2' G A 4 24.994 16.298 27.321 1.00 0.35 H new ATOM 0 H1' G A 4 23.107 18.018 26.151 1.00 0.26 H new ATOM 0 H8 G A 4 24.065 21.641 25.938 1.00 0.25 H new ATOM 0 H1 G A 4 25.606 18.297 20.714 1.00 0.26 H new ATOM 0 H21 G A 4 24.794 15.523 22.657 1.00 0.29 H new ATOM 0 H22 G A 4 25.362 16.141 21.102 1.00 0.29 H new ATOM 130 P C A 5 27.668 19.333 29.335 1.00 0.27 P ATOM 131 OP1 C A 5 28.166 19.004 30.684 1.00 0.34 O ATOM 132 OP2 C A 5 27.890 20.696 28.798 1.00 0.32 O ATOM 133 O5' C A 5 28.280 18.266 28.292 1.00 0.29 O ATOM 134 C5' C A 5 27.824 16.913 28.300 1.00 0.31 C ATOM 135 C4' C A 5 28.424 16.100 27.160 1.00 0.27 C ATOM 136 O4' C A 5 27.873 16.504 25.911 1.00 0.27 O ATOM 137 C3' C A 5 29.913 16.313 27.074 1.00 0.26 C ATOM 138 O3' C A 5 30.657 15.496 27.988 1.00 0.27 O ATOM 139 C2' C A 5 30.171 15.916 25.630 1.00 0.29 C ATOM 140 O2' C A 5 30.310 14.492 25.497 1.00 0.35 O ATOM 141 C1' C A 5 28.917 16.435 24.940 1.00 0.26 C ATOM 142 N1 C A 5 29.200 17.751 24.328 1.00 0.26 N ATOM 143 C2 C A 5 30.085 17.771 23.270 1.00 0.32 C ATOM 144 O2 C A 5 30.630 16.734 22.908 1.00 0.36 O ATOM 145 N3 C A 5 30.363 18.966 22.687 1.00 0.40 N ATOM 146 C4 C A 5 29.788 20.094 23.126 1.00 0.40 C ATOM 147 N4 C A 5 30.099 21.249 22.542 1.00 0.51 N ATOM 148 C5 C A 5 28.872 20.074 24.225 1.00 0.36 C ATOM 149 C6 C A 5 28.606 18.888 24.788 1.00 0.31 C ATOM 0 H5' C A 5 26.737 16.897 28.223 1.00 0.31 H new ATOM 0 H5'' C A 5 28.083 16.449 29.252 1.00 0.31 H new ATOM 0 H4' C A 5 28.198 15.053 27.363 1.00 0.27 H new ATOM 0 H3' C A 5 30.224 17.323 27.340 1.00 0.26 H new ATOM 0 H2' C A 5 31.095 16.317 25.213 1.00 0.29 H new ATOM 0 HO2' C A 5 30.899 14.290 24.740 1.00 0.35 H new ATOM 0 H1' C A 5 28.601 15.769 24.137 1.00 0.26 H new ATOM 0 H41 C A 5 29.669 22.116 22.865 1.00 0.51 H new ATOM 0 H42 C A 5 30.767 21.267 21.771 1.00 0.51 H new ATOM 0 H5 C A 5 28.412 20.982 24.587 1.00 0.36 H new ATOM 0 H6 C A 5 27.914 18.832 25.615 1.00 0.31 H new ATOM 161 P U A 6 32.234 15.779 28.180 1.00 0.27 P ATOM 162 OP1 U A 6 32.774 14.828 29.177 1.00 0.31 O ATOM 163 OP2 U A 6 32.409 17.230 28.403 1.00 0.35 O ATOM 164 O5' U A 6 32.827 15.416 26.720 1.00 0.24 O ATOM 165 C5' U A 6 33.039 14.055 26.337 1.00 0.27 C ATOM 166 C4' U A 6 33.845 13.925 25.051 1.00 0.23 C ATOM 167 O4' U A 6 33.178 14.548 23.961 1.00 0.24 O ATOM 168 C3' U A 6 35.212 14.557 25.214 1.00 0.25 C ATOM 169 O3' U A 6 36.166 13.587 25.641 1.00 0.28 O ATOM 170 C2' U A 6 35.511 15.063 23.806 1.00 0.27 C ATOM 171 O2' U A 6 36.212 14.084 23.029 1.00 0.37 O ATOM 172 C1' U A 6 34.119 15.335 23.242 1.00 0.23 C ATOM 173 N1 U A 6 33.783 16.763 23.369 1.00 0.22 N ATOM 174 C2 U A 6 33.949 17.570 22.259 1.00 0.24 C ATOM 175 O2 U A 6 34.348 17.140 21.181 1.00 0.29 O ATOM 176 N3 U A 6 33.623 18.900 22.430 1.00 0.26 N ATOM 177 C4 U A 6 33.149 19.486 23.589 1.00 0.29 C ATOM 178 O4 U A 6 32.867 20.680 23.611 1.00 0.35 O ATOM 179 C5 U A 6 33.009 18.572 24.696 1.00 0.29 C ATOM 180 C6 U A 6 33.322 17.264 24.557 1.00 0.26 C ATOM 0 H5' U A 6 32.075 13.564 26.208 1.00 0.27 H new ATOM 0 H5'' U A 6 33.558 13.532 27.141 1.00 0.27 H new ATOM 0 H4' U A 6 33.953 12.861 24.842 1.00 0.23 H new ATOM 0 H3' U A 6 35.251 15.345 25.966 1.00 0.25 H new ATOM 0 H2' U A 6 36.159 15.939 23.794 1.00 0.27 H new ATOM 0 HO2' U A 6 36.880 14.530 22.467 1.00 0.37 H new ATOM 0 H1' U A 6 34.095 15.073 22.184 1.00 0.23 H new ATOM 0 H3 U A 6 33.744 19.511 21.622 1.00 0.26 H new ATOM 0 H5 U A 6 32.650 18.937 25.647 1.00 0.29 H new ATOM 0 H6 U A 6 33.206 16.600 25.401 1.00 0.26 H new ATOM 191 P C A 7 37.455 14.019 26.492 1.00 0.27 P ATOM 192 OP1 C A 7 38.104 12.797 27.016 1.00 0.32 O ATOM 193 OP2 C A 7 37.064 15.088 27.435 1.00 0.31 O ATOM 194 O5' C A 7 38.414 14.671 25.358 1.00 0.32 O ATOM 195 C5' C A 7 38.879 13.897 24.244 1.00 0.33 C ATOM 196 C4' C A 7 39.331 14.774 23.105 1.00 0.31 C ATOM 197 O4' C A 7 38.272 15.623 22.703 1.00 0.34 O ATOM 198 C3' C A 7 40.505 15.622 23.562 1.00 0.25 C ATOM 199 O3' C A 7 41.757 15.004 23.187 1.00 0.26 O ATOM 200 C2' C A 7 40.269 16.959 22.846 1.00 0.30 C ATOM 201 O2' C A 7 41.073 17.051 21.670 1.00 0.36 O ATOM 202 C1' C A 7 38.783 16.928 22.483 1.00 0.31 C ATOM 203 N1 C A 7 37.997 17.926 23.243 1.00 0.30 N ATOM 204 C2 C A 7 37.577 19.057 22.557 1.00 0.35 C ATOM 205 O2 C A 7 37.898 19.222 21.386 1.00 0.42 O ATOM 206 N3 C A 7 36.795 19.958 23.205 1.00 0.37 N ATOM 207 C4 C A 7 36.439 19.774 24.475 1.00 0.34 C ATOM 208 N4 C A 7 35.663 20.679 25.065 1.00 0.39 N ATOM 209 C5 C A 7 36.873 18.615 25.197 1.00 0.31 C ATOM 210 C6 C A 7 37.651 17.723 24.549 1.00 0.30 C ATOM 0 H5' C A 7 38.082 13.238 23.901 1.00 0.33 H new ATOM 0 H5'' C A 7 39.704 13.260 24.563 1.00 0.33 H new ATOM 0 H4' C A 7 39.630 14.147 22.265 1.00 0.31 H new ATOM 0 H3' C A 7 40.569 15.743 24.643 1.00 0.25 H new ATOM 0 H2' C A 7 40.533 17.818 23.463 1.00 0.30 H new ATOM 0 HO2' C A 7 41.318 17.987 21.513 1.00 0.36 H new ATOM 0 H1' C A 7 38.690 17.190 21.429 1.00 0.31 H new ATOM 0 H41 C A 7 35.381 20.553 26.037 1.00 0.39 H new ATOM 0 H42 C A 7 35.350 21.499 24.545 1.00 0.39 H new ATOM 0 H5 C A 7 36.587 18.460 26.227 1.00 0.31 H new ATOM 0 H6 C A 7 38.003 16.843 25.066 1.00 0.30 H new ATOM 222 P A A 8 42.980 14.860 24.239 1.00 0.30 P ATOM 223 OP1 A A 8 43.772 13.674 23.865 1.00 0.51 O ATOM 224 OP2 A A 8 42.428 14.962 25.607 1.00 0.39 O ATOM 225 O5' A A 8 43.857 16.180 23.933 1.00 0.30 O ATOM 226 C5' A A 8 44.935 16.550 24.793 1.00 0.31 C ATOM 227 C4' A A 8 45.622 17.837 24.323 1.00 0.29 C ATOM 228 O4' A A 8 46.174 17.668 23.018 1.00 0.34 O ATOM 229 C3' A A 8 44.638 18.996 24.295 1.00 0.25 C ATOM 230 O3' A A 8 44.694 19.755 25.504 1.00 0.24 O ATOM 231 C2' A A 8 45.129 19.802 23.093 1.00 0.29 C ATOM 232 O2' A A 8 46.091 20.782 23.480 1.00 0.35 O ATOM 233 C1' A A 8 45.756 18.742 22.199 1.00 0.33 C ATOM 234 N9 A A 8 44.792 18.248 21.201 1.00 0.35 N ATOM 235 C8 A A 8 44.147 17.043 21.157 1.00 0.37 C ATOM 236 N7 A A 8 43.388 16.868 20.121 1.00 0.42 N ATOM 237 C5 A A 8 43.548 18.057 19.413 1.00 0.42 C ATOM 238 C6 A A 8 43.011 18.519 18.207 1.00 0.47 C ATOM 239 N6 A A 8 42.166 17.812 17.470 1.00 0.52 N ATOM 240 N1 A A 8 43.371 19.746 17.800 1.00 0.50 N ATOM 241 C2 A A 8 44.214 20.481 18.546 1.00 0.48 C ATOM 242 N3 A A 8 44.782 20.135 19.692 1.00 0.43 N ATOM 243 C4 A A 8 44.403 18.905 20.066 1.00 0.38 C ATOM 0 H5' A A 8 45.665 15.741 24.830 1.00 0.31 H new ATOM 0 H5'' A A 8 44.560 16.688 25.807 1.00 0.31 H new ATOM 0 H4' A A 8 46.422 18.058 25.030 1.00 0.29 H new ATOM 0 H3' A A 8 43.595 18.689 24.214 1.00 0.25 H new ATOM 0 H2' A A 8 44.332 20.361 22.603 1.00 0.29 H new ATOM 0 HO2' A A 8 46.140 20.824 24.458 1.00 0.35 H new ATOM 0 H1' A A 8 46.600 19.178 21.664 1.00 0.33 H new ATOM 0 H8 A A 8 44.261 16.294 21.927 1.00 0.37 H new ATOM 0 H61 A A 8 41.804 18.197 16.598 1.00 0.52 H new ATOM 0 H62 A A 8 41.877 16.883 17.775 1.00 0.52 H new ATOM 0 H2 A A 8 44.455 21.464 18.169 1.00 0.48 H new ATOM 255 P G A 9 43.363 20.431 26.125 1.00 0.22 P ATOM 256 OP1 G A 9 43.750 21.319 27.229 1.00 0.34 O ATOM 257 OP2 G A 9 42.365 19.359 26.371 1.00 0.34 O ATOM 258 O5' G A 9 42.847 21.326 24.898 1.00 0.26 O ATOM 259 C5' G A 9 43.535 22.516 24.524 1.00 0.26 C ATOM 260 C4' G A 9 42.860 23.188 23.372 1.00 0.25 C ATOM 261 O4' G A 9 43.122 22.514 22.169 1.00 0.26 O ATOM 262 C3' G A 9 41.363 23.163 23.573 1.00 0.24 C ATOM 263 O3' G A 9 40.907 24.203 24.438 1.00 0.26 O ATOM 264 C2' G A 9 40.877 23.378 22.142 1.00 0.24 C ATOM 265 O2' G A 9 40.787 24.772 21.837 1.00 0.30 O ATOM 266 C1' G A 9 41.986 22.706 21.328 1.00 0.24 C ATOM 267 N9 G A 9 41.499 21.437 20.755 1.00 0.25 N ATOM 268 C8 G A 9 41.282 20.233 21.373 1.00 0.27 C ATOM 269 N7 G A 9 40.736 19.322 20.622 1.00 0.30 N ATOM 270 C5 G A 9 40.579 19.951 19.404 1.00 0.29 C ATOM 271 C6 G A 9 40.022 19.465 18.193 1.00 0.33 C ATOM 272 O6 G A 9 39.515 18.382 17.945 1.00 0.37 O ATOM 273 N1 G A 9 40.047 20.435 17.206 1.00 0.33 N ATOM 274 C2 G A 9 40.551 21.710 17.343 1.00 0.32 C ATOM 275 N2 G A 9 40.498 22.482 16.260 1.00 0.36 N ATOM 276 N3 G A 9 41.068 22.184 18.480 1.00 0.28 N ATOM 277 C4 G A 9 41.047 21.258 19.472 1.00 0.26 C ATOM 0 H5' G A 9 44.564 22.276 24.257 1.00 0.26 H new ATOM 0 H5'' G A 9 43.577 23.198 25.373 1.00 0.26 H new ATOM 0 H4' G A 9 43.240 24.208 23.322 1.00 0.25 H new ATOM 0 H3' G A 9 41.000 22.253 24.050 1.00 0.24 H new ATOM 0 H2' G A 9 39.882 22.977 21.947 1.00 0.24 H new ATOM 0 HO2' G A 9 40.038 25.167 22.330 1.00 0.30 H new ATOM 0 H1' G A 9 42.280 23.340 20.492 1.00 0.24 H new ATOM 0 H8 G A 9 41.544 20.054 22.405 1.00 0.27 H new ATOM 0 H1 G A 9 39.658 20.184 16.297 1.00 0.33 H new ATOM 0 H21 G A 9 40.855 23.437 16.296 1.00 0.36 H new ATOM 0 H22 G A 9 40.100 22.119 15.394 1.00 0.36 H new ATOM 289 P U A 10 39.382 24.155 24.951 1.00 0.26 P ATOM 290 OP1 U A 10 39.213 25.137 26.047 1.00 0.30 O ATOM 291 OP2 U A 10 39.022 22.745 25.192 1.00 0.29 O ATOM 292 O5' U A 10 38.553 24.661 23.659 1.00 0.29 O ATOM 293 C5' U A 10 37.647 23.771 22.992 1.00 0.27 C ATOM 294 C4' U A 10 36.217 24.289 22.992 1.00 0.24 C ATOM 295 O4' U A 10 35.793 24.587 24.324 1.00 0.26 O ATOM 296 C3' U A 10 36.087 25.550 22.139 1.00 0.21 C ATOM 297 O3' U A 10 35.688 25.243 20.795 1.00 0.23 O ATOM 298 C2' U A 10 34.985 26.310 22.880 1.00 0.24 C ATOM 299 O2' U A 10 33.682 25.926 22.404 1.00 0.31 O ATOM 300 C1' U A 10 35.194 25.877 24.333 1.00 0.25 C ATOM 301 N1 U A 10 36.041 26.848 25.064 1.00 0.26 N ATOM 302 C2 U A 10 35.390 27.745 25.889 1.00 0.31 C ATOM 303 O2 U A 10 34.166 27.754 26.010 1.00 0.39 O ATOM 304 N3 U A 10 36.192 28.621 26.588 1.00 0.34 N ATOM 305 C4 U A 10 37.575 28.681 26.539 1.00 0.33 C ATOM 306 O4 U A 10 38.187 29.484 27.231 1.00 0.40 O ATOM 307 C5 U A 10 38.182 27.716 25.655 1.00 0.33 C ATOM 308 C6 U A 10 37.415 26.841 24.953 1.00 0.29 C ATOM 0 H5' U A 10 37.677 22.796 23.478 1.00 0.27 H new ATOM 0 H5'' U A 10 37.977 23.625 21.964 1.00 0.27 H new ATOM 0 H4' U A 10 35.586 23.506 22.570 1.00 0.24 H new ATOM 0 H3' U A 10 37.019 26.104 22.031 1.00 0.21 H new ATOM 0 H2' U A 10 35.035 27.390 22.741 1.00 0.24 H new ATOM 0 HO2' U A 10 33.777 25.258 21.693 1.00 0.31 H new ATOM 0 H1' U A 10 34.235 25.842 24.851 1.00 0.25 H new ATOM 0 H3 U A 10 35.723 29.289 27.200 1.00 0.34 H new ATOM 0 H5 U A 10 39.257 27.689 25.550 1.00 0.33 H new ATOM 0 H6 U A 10 37.890 26.127 24.296 1.00 0.29 H new ATOM 319 P U A 11 35.350 26.422 19.738 1.00 0.28 P ATOM 320 OP1 U A 11 35.699 27.727 20.349 1.00 0.38 O ATOM 321 OP2 U A 11 33.980 26.202 19.244 1.00 0.41 O ATOM 322 O5' U A 11 36.394 26.126 18.545 1.00 0.28 O ATOM 323 C5' U A 11 36.855 27.175 17.681 1.00 0.30 C ATOM 324 C4' U A 11 37.171 26.670 16.263 1.00 0.27 C ATOM 325 O4' U A 11 38.214 25.703 16.319 1.00 0.30 O ATOM 326 C3' U A 11 35.980 25.972 15.615 1.00 0.25 C ATOM 327 O3' U A 11 36.160 25.873 14.197 1.00 0.24 O ATOM 328 C2' U A 11 36.085 24.601 16.292 1.00 0.33 C ATOM 329 O2' U A 11 35.429 23.561 15.558 1.00 0.45 O ATOM 330 C1' U A 11 37.607 24.405 16.322 1.00 0.33 C ATOM 331 N1 U A 11 37.970 23.680 17.544 1.00 0.33 N ATOM 332 C2 U A 11 37.654 22.339 17.615 1.00 0.33 C ATOM 333 O2 U A 11 37.203 21.715 16.658 1.00 0.37 O ATOM 334 N3 U A 11 37.913 21.724 18.818 1.00 0.33 N ATOM 335 C4 U A 11 38.457 22.327 19.937 1.00 0.34 C ATOM 336 O4 U A 11 38.628 21.687 20.967 1.00 0.39 O ATOM 337 C5 U A 11 38.766 23.725 19.769 1.00 0.34 C ATOM 338 C6 U A 11 38.516 24.346 18.603 1.00 0.34 C ATOM 0 H5' U A 11 37.749 27.629 18.110 1.00 0.30 H new ATOM 0 H5'' U A 11 36.096 27.956 17.625 1.00 0.30 H new ATOM 0 H4' U A 11 37.447 27.549 15.680 1.00 0.27 H new ATOM 0 H3' U A 11 35.018 26.471 15.736 1.00 0.25 H new ATOM 0 H2' U A 11 35.600 24.559 17.267 1.00 0.33 H new ATOM 0 HO2' U A 11 35.782 23.533 14.644 1.00 0.45 H new ATOM 0 H1' U A 11 37.948 23.832 15.460 1.00 0.33 H new ATOM 0 H3 U A 11 37.683 20.733 18.891 1.00 0.33 H new ATOM 0 H5 U A 11 39.202 24.279 20.587 1.00 0.34 H new ATOM 0 H6 U A 11 38.752 25.395 18.502 1.00 0.34 H new ATOM 349 P U A 12 34.918 25.542 13.231 1.00 0.21 P ATOM 350 OP1 U A 12 35.245 25.950 11.863 1.00 0.31 O ATOM 351 OP2 U A 12 33.695 26.071 13.858 1.00 0.25 O ATOM 352 O5' U A 12 34.867 23.938 13.293 1.00 0.22 O ATOM 353 C5' U A 12 33.617 23.301 13.507 1.00 0.23 C ATOM 354 C4' U A 12 33.717 21.797 13.675 1.00 0.21 C ATOM 355 O4' U A 12 34.511 21.421 14.795 1.00 0.23 O ATOM 356 C3' U A 12 32.322 21.257 13.869 1.00 0.21 C ATOM 357 O3' U A 12 32.025 20.290 12.907 1.00 0.25 O ATOM 358 C2' U A 12 32.318 20.666 15.275 1.00 0.25 C ATOM 359 O2' U A 12 31.561 19.463 15.345 1.00 0.34 O ATOM 360 C1' U A 12 33.797 20.423 15.522 1.00 0.23 C ATOM 361 N1 U A 12 34.071 20.498 16.973 1.00 0.24 N ATOM 362 C2 U A 12 33.803 19.363 17.739 1.00 0.23 C ATOM 363 O2 U A 12 33.423 18.314 17.233 1.00 0.28 O ATOM 364 N3 U A 12 33.967 19.488 19.105 1.00 0.25 N ATOM 365 C4 U A 12 34.385 20.630 19.767 1.00 0.30 C ATOM 366 O4 U A 12 34.512 20.644 20.988 1.00 0.34 O ATOM 367 C5 U A 12 34.656 21.754 18.898 1.00 0.34 C ATOM 368 C6 U A 12 34.492 21.659 17.554 1.00 0.30 C ATOM 0 H5' U A 12 32.959 23.520 12.666 1.00 0.23 H new ATOM 0 H5'' U A 12 33.151 23.726 14.396 1.00 0.23 H new ATOM 0 H4' U A 12 34.196 21.388 12.785 1.00 0.21 H new ATOM 0 H3' U A 12 31.562 22.031 13.757 1.00 0.21 H new ATOM 0 H2' U A 12 31.853 21.313 16.019 1.00 0.25 H new ATOM 0 HO2' U A 12 30.612 19.680 15.456 1.00 0.34 H new ATOM 0 H1' U A 12 34.110 19.434 15.186 1.00 0.23 H new ATOM 0 H3 U A 12 33.762 18.668 19.676 1.00 0.25 H new ATOM 0 H5 U A 12 34.995 22.686 19.326 1.00 0.34 H new ATOM 0 H6 U A 12 34.698 22.518 16.933 1.00 0.30 H new ATOM 379 P G A 13 30.488 20.099 12.490 1.00 0.27 P ATOM 380 OP1 G A 13 30.403 20.200 11.021 1.00 0.39 O ATOM 381 OP2 G A 13 29.655 20.994 13.318 1.00 0.34 O ATOM 382 O5' G A 13 30.177 18.572 12.916 1.00 0.24 O ATOM 383 C5' G A 13 30.928 17.489 12.385 1.00 0.22 C ATOM 384 C4' G A 13 30.685 16.229 13.179 1.00 0.21 C ATOM 385 O4' G A 13 31.352 16.290 14.435 1.00 0.27 O ATOM 386 C3' G A 13 29.196 16.081 13.455 1.00 0.21 C ATOM 387 O3' G A 13 28.501 15.401 12.427 1.00 0.23 O ATOM 388 C2' G A 13 29.208 15.320 14.760 1.00 0.25 C ATOM 389 O2' G A 13 29.443 13.921 14.549 1.00 0.31 O ATOM 390 C1' G A 13 30.385 15.998 15.447 1.00 0.26 C ATOM 391 N9 G A 13 29.962 17.238 16.145 1.00 0.26 N ATOM 392 C8 G A 13 29.387 18.387 15.645 1.00 0.28 C ATOM 393 N7 G A 13 29.099 19.284 16.538 1.00 0.32 N ATOM 394 C5 G A 13 29.528 18.702 17.718 1.00 0.30 C ATOM 395 C6 G A 13 29.481 19.208 19.035 1.00 0.35 C ATOM 396 O6 G A 13 29.080 20.303 19.419 1.00 0.41 O ATOM 397 N1 G A 13 30.007 18.309 19.943 1.00 0.35 N ATOM 398 C2 G A 13 30.527 17.075 19.619 1.00 0.33 C ATOM 399 N2 G A 13 31.067 16.382 20.605 1.00 0.38 N ATOM 400 N3 G A 13 30.561 16.584 18.387 1.00 0.29 N ATOM 401 C4 G A 13 30.049 17.448 17.490 1.00 0.28 C ATOM 0 H5' G A 13 31.990 17.735 12.400 1.00 0.22 H new ATOM 0 H5'' G A 13 30.653 17.326 11.343 1.00 0.22 H new ATOM 0 H4' G A 13 31.062 15.387 12.599 1.00 0.21 H new ATOM 0 H3' G A 13 28.665 17.032 13.502 1.00 0.21 H new ATOM 0 H2' G A 13 28.275 15.346 15.322 1.00 0.25 H new ATOM 0 HO2' G A 13 29.446 13.456 15.412 1.00 0.31 H new ATOM 0 H1' G A 13 30.807 15.342 16.208 1.00 0.26 H new ATOM 0 H8 G A 13 29.191 18.530 14.592 1.00 0.28 H new ATOM 0 H1 G A 13 30.011 18.579 20.927 1.00 0.35 H new ATOM 0 H21 G A 13 31.467 15.462 20.422 1.00 0.38 H new ATOM 0 H22 G A 13 31.084 16.767 21.549 1.00 0.38 H new ATOM 413 P C A 14 27.015 15.909 12.084 1.00 0.23 P ATOM 414 OP1 C A 14 26.573 15.263 10.835 1.00 0.30 O ATOM 415 OP2 C A 14 26.969 17.385 12.188 1.00 0.30 O ATOM 416 O5' C A 14 26.168 15.306 13.310 1.00 0.23 O ATOM 417 C5' C A 14 26.353 13.963 13.748 1.00 0.26 C ATOM 418 C4' C A 14 25.893 13.792 15.188 1.00 0.24 C ATOM 419 O4' C A 14 26.676 14.556 16.082 1.00 0.25 O ATOM 420 C3' C A 14 24.467 14.237 15.361 1.00 0.22 C ATOM 421 O3' C A 14 23.542 13.245 14.912 1.00 0.24 O ATOM 422 C2' C A 14 24.420 14.422 16.868 1.00 0.25 C ATOM 423 O2' C A 14 24.105 13.194 17.557 1.00 0.33 O ATOM 424 C1' C A 14 25.841 14.894 17.188 1.00 0.25 C ATOM 425 N1 C A 14 25.861 16.348 17.448 1.00 0.26 N ATOM 426 C2 C A 14 25.577 16.771 18.740 1.00 0.31 C ATOM 427 O2 C A 14 25.277 15.951 19.603 1.00 0.34 O ATOM 428 N3 C A 14 25.592 18.101 19.006 1.00 0.37 N ATOM 429 C4 C A 14 25.900 18.988 18.055 1.00 0.37 C ATOM 430 N4 C A 14 25.924 20.279 18.344 1.00 0.46 N ATOM 431 C5 C A 14 26.201 18.560 16.727 1.00 0.35 C ATOM 432 C6 C A 14 26.189 17.245 16.470 1.00 0.30 C ATOM 0 H5' C A 14 27.405 13.691 13.664 1.00 0.26 H new ATOM 0 H5'' C A 14 25.795 13.286 13.101 1.00 0.26 H new ATOM 0 H4' C A 14 25.996 12.730 15.410 1.00 0.24 H new ATOM 0 H3' C A 14 24.192 15.122 14.787 1.00 0.22 H new ATOM 0 H2' C A 14 23.644 15.118 17.188 1.00 0.25 H new ATOM 0 HO2' C A 14 23.433 13.370 18.248 1.00 0.33 H new ATOM 0 H1' C A 14 26.208 14.404 18.090 1.00 0.25 H new ATOM 0 H41 C A 14 26.159 20.959 17.621 1.00 0.46 H new ATOM 0 H42 C A 14 25.708 20.594 19.290 1.00 0.46 H new ATOM 0 H5 C A 14 26.432 19.275 15.952 1.00 0.35 H new ATOM 0 H6 C A 14 26.441 16.891 15.481 1.00 0.30 H new ATOM 444 P U A 15 21.959 13.450 15.099 1.00 0.22 P ATOM 445 OP1 U A 15 21.258 12.504 14.210 1.00 0.32 O ATOM 446 OP2 U A 15 21.643 14.881 15.002 1.00 0.27 O ATOM 447 O5' U A 15 21.719 12.972 16.618 1.00 0.22 O ATOM 448 C5' U A 15 21.626 11.577 16.918 1.00 0.26 C ATOM 449 C4' U A 15 21.278 11.347 18.375 1.00 0.25 C ATOM 450 O4' U A 15 22.254 11.962 19.198 1.00 0.28 O ATOM 451 C3' U A 15 19.920 11.935 18.723 1.00 0.23 C ATOM 452 O3' U A 15 18.860 10.977 18.565 1.00 0.26 O ATOM 453 C2' U A 15 20.127 12.311 20.185 1.00 0.27 C ATOM 454 O2' U A 15 19.871 11.202 21.058 1.00 0.35 O ATOM 455 C1' U A 15 21.590 12.701 20.205 1.00 0.29 C ATOM 456 N1 U A 15 21.733 14.152 19.987 1.00 0.28 N ATOM 457 C2 U A 15 21.708 14.961 21.100 1.00 0.35 C ATOM 458 O2 U A 15 21.528 14.518 22.229 1.00 0.44 O ATOM 459 N3 U A 15 21.868 16.308 20.875 1.00 0.37 N ATOM 460 C4 U A 15 22.044 16.911 19.647 1.00 0.35 C ATOM 461 O4 U A 15 22.168 18.126 19.556 1.00 0.44 O ATOM 462 C5 U A 15 22.049 15.996 18.535 1.00 0.29 C ATOM 463 C6 U A 15 21.897 14.670 18.730 1.00 0.26 C ATOM 0 H5' U A 15 22.573 11.090 16.687 1.00 0.26 H new ATOM 0 H5'' U A 15 20.868 11.117 16.284 1.00 0.26 H new ATOM 0 H4' U A 15 21.250 10.270 18.543 1.00 0.25 H new ATOM 0 H3' U A 15 19.620 12.765 18.084 1.00 0.23 H new ATOM 0 H2' U A 15 19.456 13.096 20.533 1.00 0.27 H new ATOM 0 HO2' U A 15 19.336 10.530 20.585 1.00 0.35 H new ATOM 0 H1' U A 15 22.034 12.474 21.174 1.00 0.29 H new ATOM 0 H3 U A 15 21.855 16.918 21.692 1.00 0.37 H new ATOM 0 H5 U A 15 22.176 16.376 17.532 1.00 0.29 H new ATOM 0 H6 U A 15 21.905 14.005 17.879 1.00 0.26 H new ATOM 474 P C A 16 17.310 11.443 18.617 1.00 0.27 P ATOM 475 OP1 C A 16 16.503 10.294 19.055 1.00 0.38 O ATOM 476 OP2 C A 16 16.969 12.113 17.351 1.00 0.38 O ATOM 477 O5' C A 16 17.300 12.548 19.794 1.00 0.26 O ATOM 478 C5' C A 16 17.157 12.144 21.157 1.00 0.26 C ATOM 479 C4' C A 16 17.091 13.330 22.107 1.00 0.22 C ATOM 480 O4' C A 16 18.254 14.130 22.033 1.00 0.25 O ATOM 481 C3' C A 16 15.913 14.216 21.810 1.00 0.21 C ATOM 482 O3' C A 16 14.709 13.688 22.367 1.00 0.25 O ATOM 483 C2' C A 16 16.340 15.494 22.517 1.00 0.23 C ATOM 484 O2' C A 16 15.914 15.502 23.891 1.00 0.31 O ATOM 485 C1' C A 16 17.868 15.453 22.387 1.00 0.23 C ATOM 486 N1 C A 16 18.310 16.421 21.376 1.00 0.23 N ATOM 487 C2 C A 16 18.278 17.752 21.726 1.00 0.27 C ATOM 488 O2 C A 16 17.937 18.079 22.857 1.00 0.32 O ATOM 489 N3 C A 16 18.631 18.672 20.790 1.00 0.29 N ATOM 490 C4 C A 16 19.002 18.293 19.560 1.00 0.28 C ATOM 491 N4 C A 16 19.312 19.225 18.659 1.00 0.35 N ATOM 492 C5 C A 16 19.043 16.913 19.200 1.00 0.29 C ATOM 493 C6 C A 16 18.690 16.014 20.138 1.00 0.27 C ATOM 0 H5' C A 16 17.996 11.506 21.434 1.00 0.26 H new ATOM 0 H5'' C A 16 16.252 11.546 21.263 1.00 0.26 H new ATOM 0 H4' C A 16 16.997 12.902 23.105 1.00 0.22 H new ATOM 0 H3' C A 16 15.691 14.336 20.750 1.00 0.21 H new ATOM 0 H2' C A 16 15.901 16.396 22.092 1.00 0.23 H new ATOM 0 HO2' C A 16 15.243 16.204 24.021 1.00 0.31 H new ATOM 0 H1' C A 16 18.338 15.723 23.333 1.00 0.23 H new ATOM 0 H41 C A 16 19.596 18.951 17.719 1.00 0.35 H new ATOM 0 H42 C A 16 19.265 20.213 18.910 1.00 0.35 H new ATOM 0 H5 C A 16 19.346 16.601 18.211 1.00 0.29 H new ATOM 0 H6 C A 16 18.709 14.960 19.903 1.00 0.27 H new ATOM 505 P A A 17 13.291 13.884 21.628 1.00 0.24 P ATOM 506 OP1 A A 17 12.297 13.050 22.344 1.00 0.34 O ATOM 507 OP2 A A 17 13.483 13.705 20.174 1.00 0.37 O ATOM 508 O5' A A 17 12.974 15.441 21.927 1.00 0.26 O ATOM 509 C5' A A 17 12.489 15.830 23.222 1.00 0.28 C ATOM 510 C4' A A 17 12.778 17.309 23.555 1.00 0.28 C ATOM 511 O4' A A 17 14.108 17.664 23.201 1.00 0.29 O ATOM 512 C3' A A 17 11.868 18.252 22.813 1.00 0.31 C ATOM 513 O3' A A 17 10.569 18.337 23.424 1.00 0.43 O ATOM 514 C2' A A 17 12.649 19.537 22.976 1.00 0.33 C ATOM 515 O2' A A 17 12.403 20.116 24.269 1.00 0.43 O ATOM 516 C1' A A 17 14.085 19.045 22.848 1.00 0.29 C ATOM 517 N9 A A 17 14.580 19.259 21.482 1.00 0.30 N ATOM 518 C8 A A 17 14.863 18.339 20.518 1.00 0.34 C ATOM 519 N7 A A 17 15.334 18.833 19.415 1.00 0.38 N ATOM 520 C5 A A 17 15.358 20.200 19.670 1.00 0.38 C ATOM 521 C6 A A 17 15.768 21.296 18.908 1.00 0.45 C ATOM 522 N6 A A 17 16.247 21.173 17.672 1.00 0.54 N ATOM 523 N1 A A 17 15.664 22.518 19.465 1.00 0.47 N ATOM 524 C2 A A 17 15.187 22.653 20.710 1.00 0.43 C ATOM 525 N3 A A 17 14.786 21.680 21.520 1.00 0.37 N ATOM 526 C4 A A 17 14.909 20.471 20.929 1.00 0.33 C ATOM 0 H5' A A 17 12.948 15.196 23.981 1.00 0.28 H new ATOM 0 H5'' A A 17 11.414 15.656 23.269 1.00 0.28 H new ATOM 0 H4' A A 17 12.616 17.401 24.629 1.00 0.28 H new ATOM 0 H3' A A 17 11.650 17.968 21.783 1.00 0.31 H new ATOM 0 H2' A A 17 12.391 20.317 22.260 1.00 0.33 H new ATOM 0 HO2' A A 17 11.496 19.889 24.562 1.00 0.43 H new ATOM 0 HO3' A A 17 10.008 18.959 22.915 1.00 0.43 H new ATOM 0 H1' A A 17 14.742 19.603 23.515 1.00 0.29 H new ATOM 0 H8 A A 17 14.707 17.280 20.661 1.00 0.34 H new ATOM 0 H61 A A 17 16.535 22.002 17.152 1.00 0.54 H new ATOM 0 H62 A A 17 16.326 20.250 17.245 1.00 0.54 H new ATOM 0 H2 A A 17 15.122 23.660 21.095 1.00 0.43 H new TER 539 A A 17