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= -3.82! USER MOD Single : A 1 U O5' : rot 180:sc= -0.334 USER MOD Single : A 2 G O2' : rot 170:sc= -2.26 USER MOD Single : A 3 A O2' : rot 180:sc= -3.26! USER MOD Single : A 4 G O2' : rot -13:sc= -1.42! USER MOD Single : A 5 C O2' : rot -152:sc= -0.436 USER MOD Single : A 6 U O2' : rot -22:sc= 0.127 USER MOD Single : A 7 C O2' : rot -137:sc= 0.0545 USER MOD Single : A 8 A O2' : rot -11:sc= -0.75 USER MOD Single : A 9 G O2' : rot -84:sc= 1.12 USER MOD Single : A 10 U O2' : rot -13:sc= 0.233 USER MOD Single : A 11 U O2' : rot 168:sc= -2.66! USER MOD Single : A 12 U O2' : rot -56:sc= 0.243 USER MOD Single : A 13 G O2' : rot 180:sc= -1.56! USER MOD Single : A 14 C O2' : rot 180:sc= -0.434 USER MOD Single : A 15 U O2' : rot 180:sc= -2.86! USER MOD Single : A 16 C O2' : rot 170:sc= -4.72! USER MOD Single : A 17 A O2' : rot -14:sc= 0.196 USER MOD Single : A 17 A O3' : rot 180:sc= 0.204 USER MOD ----------------------------------------------------------------- ATOM 1 O5' U A 1 14.442 29.707 16.981 1.00 0.37 O ATOM 2 C5' U A 1 13.678 30.616 17.774 1.00 0.35 C ATOM 3 C4' U A 1 13.313 30.025 19.119 1.00 0.27 C ATOM 4 O4' U A 1 12.269 29.057 18.996 1.00 0.31 O ATOM 5 C3' U A 1 14.504 29.332 19.767 1.00 0.20 C ATOM 6 O3' U A 1 15.342 30.237 20.498 1.00 0.21 O ATOM 7 C2' U A 1 13.775 28.367 20.695 1.00 0.23 C ATOM 8 O2' U A 1 13.328 29.035 21.901 1.00 0.32 O ATOM 9 C1' U A 1 12.600 27.940 19.823 1.00 0.27 C ATOM 10 N1 U A 1 12.961 26.762 18.998 1.00 0.23 N ATOM 11 C2 U A 1 13.030 25.535 19.627 1.00 0.27 C ATOM 12 O2 U A 1 12.791 25.395 20.826 1.00 0.35 O ATOM 13 N3 U A 1 13.377 24.465 18.842 1.00 0.29 N ATOM 14 C4 U A 1 13.660 24.504 17.501 1.00 0.30 C ATOM 15 O4 U A 1 13.958 23.482 16.894 1.00 0.37 O ATOM 16 C5 U A 1 13.564 25.825 16.921 1.00 0.30 C ATOM 17 C6 U A 1 13.226 26.891 17.675 1.00 0.27 C ATOM 0 H5' U A 1 12.768 30.888 17.239 1.00 0.35 H new ATOM 0 H5'' U A 1 14.247 31.534 17.923 1.00 0.35 H new ATOM 0 H4' U A 1 12.984 30.860 19.737 1.00 0.27 H new ATOM 0 H3' U A 1 15.193 28.870 19.060 1.00 0.20 H new ATOM 0 H2' U A 1 14.387 27.538 21.050 1.00 0.23 H new ATOM 0 HO2' U A 1 12.863 28.393 22.477 1.00 0.32 H new ATOM 0 HO5' U A 1 14.656 30.124 16.120 1.00 0.37 H new ATOM 0 H1' U A 1 11.747 27.649 20.436 1.00 0.27 H new ATOM 0 H3 U A 1 13.429 23.555 19.299 1.00 0.29 H new ATOM 0 H5 U A 1 13.766 25.960 15.869 1.00 0.30 H new ATOM 0 H6 U A 1 13.165 27.867 17.216 1.00 0.27 H new ATOM 29 P G A 2 16.849 29.812 20.909 1.00 0.20 P ATOM 30 OP1 G A 2 17.392 30.823 21.834 1.00 0.25 O ATOM 31 OP2 G A 2 17.604 29.484 19.682 1.00 0.29 O ATOM 32 O5' G A 2 16.602 28.459 21.731 1.00 0.23 O ATOM 33 C5' G A 2 15.924 28.486 22.979 1.00 0.20 C ATOM 34 C4' G A 2 15.927 27.114 23.619 1.00 0.20 C ATOM 35 O4' G A 2 15.170 26.201 22.836 1.00 0.23 O ATOM 36 C3' G A 2 17.352 26.581 23.703 1.00 0.18 C ATOM 37 O3' G A 2 18.020 27.019 24.897 1.00 0.20 O ATOM 38 C2' G A 2 17.119 25.072 23.674 1.00 0.21 C ATOM 39 O2' G A 2 17.038 24.512 24.990 1.00 0.32 O ATOM 40 C1' G A 2 15.792 24.925 22.938 1.00 0.21 C ATOM 41 N9 G A 2 16.023 24.310 21.625 1.00 0.20 N ATOM 42 C8 G A 2 16.237 24.890 20.412 1.00 0.25 C ATOM 43 N7 G A 2 16.509 24.051 19.452 1.00 0.26 N ATOM 44 C5 G A 2 16.466 22.812 20.094 1.00 0.21 C ATOM 45 C6 G A 2 16.692 21.505 19.584 1.00 0.24 C ATOM 46 O6 G A 2 16.960 21.161 18.433 1.00 0.31 O ATOM 47 N1 G A 2 16.557 20.545 20.577 1.00 0.25 N ATOM 48 C2 G A 2 16.250 20.807 21.893 1.00 0.25 C ATOM 49 N2 G A 2 16.153 19.761 22.696 1.00 0.37 N ATOM 50 N3 G A 2 16.036 22.022 22.370 1.00 0.22 N ATOM 51 C4 G A 2 16.172 22.969 21.423 1.00 0.19 C ATOM 0 H5' G A 2 14.898 28.823 22.834 1.00 0.20 H new ATOM 0 H5'' G A 2 16.404 29.204 23.644 1.00 0.20 H new ATOM 0 H4' G A 2 15.493 27.207 24.614 1.00 0.20 H new ATOM 0 H3' G A 2 18.008 26.932 22.906 1.00 0.18 H new ATOM 0 H2' G A 2 17.940 24.541 23.192 1.00 0.21 H new ATOM 0 HO2' G A 2 16.731 23.583 24.932 1.00 0.32 H new ATOM 0 H1' G A 2 15.118 24.270 23.490 1.00 0.21 H new ATOM 0 H8 G A 2 16.186 25.958 20.258 1.00 0.25 H new ATOM 0 H1 G A 2 16.696 19.570 20.311 1.00 0.25 H new ATOM 0 H21 G A 2 15.928 19.894 23.682 1.00 0.37 H new ATOM 0 H22 G A 2 16.303 18.821 22.330 1.00 0.37 H new ATOM 63 P A A 3 19.571 26.661 25.167 1.00 0.24 P ATOM 64 OP1 A A 3 20.083 27.567 26.221 1.00 0.31 O ATOM 65 OP2 A A 3 20.275 26.595 23.864 1.00 0.29 O ATOM 66 O5' A A 3 19.465 25.164 25.783 1.00 0.28 O ATOM 67 C5' A A 3 18.868 24.935 27.074 1.00 0.27 C ATOM 68 C4' A A 3 19.055 23.485 27.566 1.00 0.26 C ATOM 69 O4' A A 3 18.099 22.588 26.995 1.00 0.28 O ATOM 70 C3' A A 3 20.432 22.901 27.219 1.00 0.25 C ATOM 71 O3' A A 3 21.456 23.360 28.112 1.00 0.26 O ATOM 72 C2' A A 3 20.119 21.400 27.393 1.00 0.25 C ATOM 73 O2' A A 3 19.996 21.024 28.774 1.00 0.30 O ATOM 74 C1' A A 3 18.783 21.349 26.691 1.00 0.26 C ATOM 75 N9 A A 3 18.971 21.197 25.238 1.00 0.27 N ATOM 76 C8 A A 3 18.865 22.153 24.274 1.00 0.33 C ATOM 77 N7 A A 3 19.107 21.752 23.062 1.00 0.35 N ATOM 78 C5 A A 3 19.385 20.394 23.237 1.00 0.31 C ATOM 79 C6 A A 3 19.723 19.386 22.334 1.00 0.34 C ATOM 80 N6 A A 3 19.825 19.592 21.027 1.00 0.41 N ATOM 81 N1 A A 3 19.948 18.149 22.829 1.00 0.33 N ATOM 82 C2 A A 3 19.842 17.926 24.149 1.00 0.29 C ATOM 83 N3 A A 3 19.528 18.815 25.092 1.00 0.25 N ATOM 84 C4 A A 3 19.311 20.037 24.556 1.00 0.26 C ATOM 0 H5' A A 3 17.803 25.163 27.023 1.00 0.27 H new ATOM 0 H5'' A A 3 19.306 25.620 27.800 1.00 0.27 H new ATOM 0 H4' A A 3 18.933 23.562 28.646 1.00 0.26 H new ATOM 0 H3' A A 3 20.824 23.178 26.241 1.00 0.25 H new ATOM 0 H2' A A 3 20.884 20.725 27.010 1.00 0.25 H new ATOM 0 HO2' A A 3 19.797 20.066 28.836 1.00 0.30 H new ATOM 0 H1' A A 3 18.197 20.495 27.029 1.00 0.26 H new ATOM 0 H8 A A 3 18.598 23.175 24.501 1.00 0.33 H new ATOM 0 H61 A A 3 20.075 18.821 20.407 1.00 0.41 H new ATOM 0 H62 A A 3 19.653 20.521 20.642 1.00 0.41 H new ATOM 0 H2 A A 3 20.032 16.917 24.483 1.00 0.29 H new ATOM 96 P G A 4 22.995 23.335 27.639 1.00 0.28 P ATOM 97 OP1 G A 4 23.812 24.027 28.655 1.00 0.35 O ATOM 98 OP2 G A 4 23.053 23.780 26.228 1.00 0.35 O ATOM 99 O5' G A 4 23.318 21.760 27.711 1.00 0.27 O ATOM 100 C5' G A 4 22.865 20.988 28.826 1.00 0.26 C ATOM 101 C4' G A 4 22.917 19.494 28.545 1.00 0.24 C ATOM 102 O4' G A 4 22.090 19.138 27.436 1.00 0.24 O ATOM 103 C3' G A 4 24.338 19.078 28.212 1.00 0.22 C ATOM 104 O3' G A 4 25.075 18.738 29.390 1.00 0.24 O ATOM 105 C2' G A 4 24.108 17.888 27.292 1.00 0.23 C ATOM 106 O2' G A 4 23.863 16.685 28.036 1.00 0.28 O ATOM 107 C1' G A 4 22.872 18.352 26.533 1.00 0.22 C ATOM 108 N9 G A 4 23.268 19.166 25.366 1.00 0.23 N ATOM 109 C8 G A 4 23.263 20.525 25.244 1.00 0.29 C ATOM 110 N7 G A 4 23.730 20.979 24.125 1.00 0.32 N ATOM 111 C5 G A 4 24.075 19.824 23.431 1.00 0.28 C ATOM 112 C6 G A 4 24.641 19.687 22.141 1.00 0.32 C ATOM 113 O6 G A 4 24.949 20.568 21.342 1.00 0.39 O ATOM 114 N1 G A 4 24.838 18.354 21.812 1.00 0.33 N ATOM 115 C2 G A 4 24.524 17.283 22.618 1.00 0.33 C ATOM 116 N2 G A 4 24.756 16.074 22.112 1.00 0.43 N ATOM 117 N3 G A 4 23.991 17.407 23.839 1.00 0.29 N ATOM 118 C4 G A 4 23.791 18.700 24.177 1.00 0.25 C ATOM 0 H5' G A 4 21.843 21.275 29.074 1.00 0.26 H new ATOM 0 H5'' G A 4 23.480 21.214 29.697 1.00 0.26 H new ATOM 0 H4' G A 4 22.560 18.987 29.441 1.00 0.24 H new ATOM 0 H3' G A 4 24.939 19.862 27.751 1.00 0.22 H new ATOM 0 H2' G A 4 24.956 17.634 26.655 1.00 0.23 H new ATOM 0 HO2' G A 4 24.098 16.829 28.977 1.00 0.28 H new ATOM 0 H1' G A 4 22.301 17.498 26.169 1.00 0.22 H new ATOM 0 H8 G A 4 22.896 21.175 26.024 1.00 0.29 H new ATOM 0 H1 G A 4 25.248 18.151 20.900 1.00 0.33 H new ATOM 0 H21 G A 4 24.544 15.242 22.662 1.00 0.43 H new ATOM 0 H22 G A 4 25.146 15.980 21.174 1.00 0.43 H new ATOM 130 P C A 5 26.637 19.113 29.465 1.00 0.24 P ATOM 131 OP1 C A 5 27.205 18.563 30.709 1.00 0.35 O ATOM 132 OP2 C A 5 26.799 20.556 29.176 1.00 0.30 O ATOM 133 O5' C A 5 27.223 18.263 28.236 1.00 0.24 O ATOM 134 C5' C A 5 27.006 16.849 28.182 1.00 0.26 C ATOM 135 C4' C A 5 27.729 16.249 27.004 1.00 0.23 C ATOM 136 O4' C A 5 27.136 16.682 25.795 1.00 0.25 O ATOM 137 C3' C A 5 29.168 16.694 27.013 1.00 0.20 C ATOM 138 O3' C A 5 29.969 15.797 27.784 1.00 0.25 O ATOM 139 C2' C A 5 29.522 16.681 25.527 1.00 0.21 C ATOM 140 O2' C A 5 30.064 15.415 25.123 1.00 0.32 O ATOM 141 C1' C A 5 28.168 16.943 24.860 1.00 0.22 C ATOM 142 N1 C A 5 28.073 18.314 24.321 1.00 0.22 N ATOM 143 C2 C A 5 28.721 18.579 23.128 1.00 0.28 C ATOM 144 O2 C A 5 29.363 17.697 22.564 1.00 0.31 O ATOM 145 N3 C A 5 28.611 19.820 22.590 1.00 0.32 N ATOM 146 C4 C A 5 27.911 20.778 23.210 1.00 0.31 C ATOM 147 N4 C A 5 27.827 21.982 22.652 1.00 0.38 N ATOM 148 C5 C A 5 27.248 20.522 24.448 1.00 0.27 C ATOM 149 C6 C A 5 27.362 19.289 24.972 1.00 0.23 C ATOM 0 H5' C A 5 25.939 16.642 28.105 1.00 0.26 H new ATOM 0 H5'' C A 5 27.355 16.386 29.105 1.00 0.26 H new ATOM 0 H4' C A 5 27.668 15.163 27.077 1.00 0.23 H new ATOM 0 H3' C A 5 29.338 17.668 27.472 1.00 0.20 H new ATOM 0 H2' C A 5 30.288 17.410 25.262 1.00 0.21 H new ATOM 0 HO2' C A 5 30.671 15.546 24.365 1.00 0.32 H new ATOM 0 H1' C A 5 28.062 16.273 24.007 1.00 0.22 H new ATOM 0 H41 C A 5 27.297 22.722 23.113 1.00 0.38 H new ATOM 0 H42 C A 5 28.292 22.166 21.763 1.00 0.38 H new ATOM 0 H5 C A 5 26.676 21.291 24.946 1.00 0.27 H new ATOM 0 H6 C A 5 26.888 19.064 25.916 1.00 0.23 H new ATOM 161 P U A 6 31.570 15.942 27.816 1.00 0.30 P ATOM 162 OP1 U A 6 32.076 15.232 29.006 1.00 0.44 O ATOM 163 OP2 U A 6 31.929 17.370 27.615 1.00 0.36 O ATOM 164 O5' U A 6 31.995 15.110 26.511 1.00 0.27 O ATOM 165 C5' U A 6 32.068 13.686 26.538 1.00 0.23 C ATOM 166 C4' U A 6 32.796 13.163 25.312 1.00 0.19 C ATOM 167 O4' U A 6 32.139 13.599 24.125 1.00 0.24 O ATOM 168 C3' U A 6 34.226 13.682 25.280 1.00 0.16 C ATOM 169 O3' U A 6 35.131 12.779 25.931 1.00 0.17 O ATOM 170 C2' U A 6 34.497 13.768 23.792 1.00 0.23 C ATOM 171 O2' U A 6 34.965 12.519 23.280 1.00 0.34 O ATOM 172 C1' U A 6 33.122 14.115 23.235 1.00 0.23 C ATOM 173 N1 U A 6 32.970 15.575 23.062 1.00 0.21 N ATOM 174 C2 U A 6 33.303 16.101 21.831 1.00 0.26 C ATOM 175 O2 U A 6 33.745 15.412 20.918 1.00 0.37 O ATOM 176 N3 U A 6 33.128 17.457 21.685 1.00 0.28 N ATOM 177 C4 U A 6 32.651 18.332 22.640 1.00 0.28 C ATOM 178 O4 U A 6 32.519 19.528 22.372 1.00 0.34 O ATOM 179 C5 U A 6 32.333 17.704 23.900 1.00 0.31 C ATOM 180 C6 U A 6 32.495 16.367 24.070 1.00 0.27 C ATOM 0 H5' U A 6 31.063 13.266 26.577 1.00 0.23 H new ATOM 0 H5'' U A 6 32.585 13.360 27.441 1.00 0.23 H new ATOM 0 H4' U A 6 32.797 12.074 25.363 1.00 0.19 H new ATOM 0 H3' U A 6 34.361 14.628 25.805 1.00 0.16 H new ATOM 0 H2' U A 6 35.270 14.489 23.527 1.00 0.23 H new ATOM 0 HO2' U A 6 35.350 11.990 24.010 1.00 0.34 H new ATOM 0 H1' U A 6 32.999 13.667 22.249 1.00 0.23 H new ATOM 0 H3 U A 6 33.376 17.857 20.780 1.00 0.28 H new ATOM 0 H5 U A 6 31.962 18.305 24.717 1.00 0.31 H new ATOM 0 H6 U A 6 32.244 15.920 25.021 1.00 0.27 H new ATOM 191 P C A 7 36.449 13.337 26.672 1.00 0.21 P ATOM 192 OP1 C A 7 37.234 12.181 27.155 1.00 0.28 O ATOM 193 OP2 C A 7 36.052 14.392 27.633 1.00 0.32 O ATOM 194 O5' C A 7 37.246 14.016 25.448 1.00 0.22 O ATOM 195 C5' C A 7 38.034 13.221 24.557 1.00 0.21 C ATOM 196 C4' C A 7 38.887 14.071 23.644 1.00 0.20 C ATOM 197 O4' C A 7 38.110 15.111 23.068 1.00 0.22 O ATOM 198 C3' C A 7 39.991 14.708 24.458 1.00 0.20 C ATOM 199 O3' C A 7 41.178 13.898 24.522 1.00 0.24 O ATOM 200 C2' C A 7 40.239 16.003 23.703 1.00 0.22 C ATOM 201 O2' C A 7 41.196 15.815 22.653 1.00 0.29 O ATOM 202 C1' C A 7 38.851 16.323 23.164 1.00 0.23 C ATOM 203 N1 C A 7 38.190 17.308 24.051 1.00 0.25 N ATOM 204 C2 C A 7 38.647 18.617 24.001 1.00 0.29 C ATOM 205 O2 C A 7 39.522 18.936 23.203 1.00 0.32 O ATOM 206 N3 C A 7 38.102 19.526 24.848 1.00 0.35 N ATOM 207 C4 C A 7 37.140 19.179 25.702 1.00 0.36 C ATOM 208 N4 C A 7 36.644 20.104 26.517 1.00 0.43 N ATOM 209 C5 C A 7 36.656 17.835 25.764 1.00 0.34 C ATOM 210 C6 C A 7 37.201 16.937 24.918 1.00 0.29 C ATOM 0 H5' C A 7 37.378 12.591 23.957 1.00 0.21 H new ATOM 0 H5'' C A 7 38.674 12.555 25.135 1.00 0.21 H new ATOM 0 H4' C A 7 39.295 13.439 22.856 1.00 0.20 H new ATOM 0 H3' C A 7 39.718 14.847 25.504 1.00 0.20 H new ATOM 0 H2' C A 7 40.660 16.803 24.313 1.00 0.22 H new ATOM 0 HO2' C A 7 41.826 16.566 22.646 1.00 0.29 H new ATOM 0 H1' C A 7 38.913 16.768 22.171 1.00 0.23 H new ATOM 0 H41 C A 7 35.907 19.859 27.178 1.00 0.43 H new ATOM 0 H42 C A 7 37.000 21.059 26.481 1.00 0.43 H new ATOM 0 H5 C A 7 35.883 17.550 26.462 1.00 0.34 H new ATOM 0 H6 C A 7 36.852 15.915 24.926 1.00 0.29 H new ATOM 222 P A A 8 42.275 14.190 25.671 1.00 0.28 P ATOM 223 OP1 A A 8 43.263 13.086 25.688 1.00 0.39 O ATOM 224 OP2 A A 8 41.537 14.515 26.908 1.00 0.43 O ATOM 225 O5' A A 8 42.996 15.531 25.122 1.00 0.27 O ATOM 226 C5' A A 8 44.307 15.868 25.572 1.00 0.26 C ATOM 227 C4' A A 8 45.047 16.836 24.640 1.00 0.22 C ATOM 228 O4' A A 8 45.172 16.317 23.325 1.00 0.24 O ATOM 229 C3' A A 8 44.341 18.169 24.509 1.00 0.22 C ATOM 230 O3' A A 8 44.573 19.014 25.646 1.00 0.24 O ATOM 231 C2' A A 8 44.999 18.722 23.235 1.00 0.23 C ATOM 232 O2' A A 8 46.188 19.459 23.540 1.00 0.29 O ATOM 233 C1' A A 8 45.332 17.442 22.450 1.00 0.22 C ATOM 234 N9 A A 8 44.473 17.335 21.255 1.00 0.24 N ATOM 235 C8 A A 8 43.493 16.434 20.971 1.00 0.28 C ATOM 236 N7 A A 8 42.919 16.603 19.818 1.00 0.31 N ATOM 237 C5 A A 8 43.574 17.715 19.292 1.00 0.26 C ATOM 238 C6 A A 8 43.440 18.424 18.089 1.00 0.29 C ATOM 239 N6 A A 8 42.538 18.124 17.160 1.00 0.33 N ATOM 240 N1 A A 8 44.251 19.475 17.892 1.00 0.31 N ATOM 241 C2 A A 8 45.140 19.819 18.821 1.00 0.33 C ATOM 242 N3 A A 8 45.349 19.221 19.990 1.00 0.29 N ATOM 243 C4 A A 8 44.524 18.167 20.159 1.00 0.24 C ATOM 0 H5' A A 8 44.893 14.955 25.673 1.00 0.26 H new ATOM 0 H5'' A A 8 44.238 16.314 26.564 1.00 0.26 H new ATOM 0 H4' A A 8 46.026 16.968 25.101 1.00 0.22 H new ATOM 0 H3' A A 8 43.254 18.099 24.458 1.00 0.22 H new ATOM 0 H2' A A 8 44.363 19.418 22.689 1.00 0.23 H new ATOM 0 HO2' A A 8 46.241 19.609 24.507 1.00 0.29 H new ATOM 0 H1' A A 8 46.363 17.470 22.098 1.00 0.22 H new ATOM 0 H8 A A 8 43.215 15.642 21.650 1.00 0.28 H new ATOM 0 H61 A A 8 42.486 18.675 16.303 1.00 0.33 H new ATOM 0 H62 A A 8 41.898 17.343 17.304 1.00 0.33 H new ATOM 0 H2 A A 8 45.759 20.677 18.601 1.00 0.33 H new ATOM 255 P G A 9 43.666 20.325 25.898 1.00 0.25 P ATOM 256 OP1 G A 9 44.356 21.177 26.897 1.00 0.34 O ATOM 257 OP2 G A 9 42.272 19.907 26.158 1.00 0.34 O ATOM 258 O5' G A 9 43.705 21.057 24.464 1.00 0.25 O ATOM 259 C5' G A 9 44.680 22.050 24.179 1.00 0.23 C ATOM 260 C4' G A 9 44.345 22.846 22.943 1.00 0.19 C ATOM 261 O4' G A 9 44.419 22.056 21.775 1.00 0.19 O ATOM 262 C3' G A 9 42.934 23.394 22.994 1.00 0.21 C ATOM 263 O3' G A 9 42.819 24.535 23.855 1.00 0.25 O ATOM 264 C2' G A 9 42.735 23.756 21.518 1.00 0.21 C ATOM 265 O2' G A 9 43.237 25.072 21.227 1.00 0.28 O ATOM 266 C1' G A 9 43.568 22.683 20.815 1.00 0.19 C ATOM 267 N9 G A 9 42.678 21.723 20.149 1.00 0.21 N ATOM 268 C8 G A 9 41.949 20.691 20.669 1.00 0.24 C ATOM 269 N7 G A 9 41.188 20.081 19.807 1.00 0.29 N ATOM 270 C5 G A 9 41.442 20.756 18.625 1.00 0.29 C ATOM 271 C6 G A 9 40.905 20.566 17.325 1.00 0.37 C ATOM 272 O6 G A 9 40.075 19.751 16.957 1.00 0.44 O ATOM 273 N1 G A 9 41.432 21.473 16.415 1.00 0.39 N ATOM 274 C2 G A 9 42.350 22.452 16.722 1.00 0.36 C ATOM 275 N2 G A 9 42.708 23.254 15.741 1.00 0.42 N ATOM 276 N3 G A 9 42.854 22.635 17.940 1.00 0.28 N ATOM 277 C4 G A 9 42.351 21.764 18.831 1.00 0.25 C ATOM 0 H5' G A 9 45.652 21.574 24.049 1.00 0.23 H new ATOM 0 H5'' G A 9 44.767 22.725 25.030 1.00 0.23 H new ATOM 0 H4' G A 9 45.076 23.654 22.914 1.00 0.19 H new ATOM 0 H3' G A 9 42.193 22.706 23.401 1.00 0.21 H new ATOM 0 H2' G A 9 41.690 23.779 21.210 1.00 0.21 H new ATOM 0 HO2' G A 9 42.555 25.739 21.451 1.00 0.28 H new ATOM 0 H1' G A 9 44.198 23.127 20.044 1.00 0.19 H new ATOM 0 H8 G A 9 42.000 20.405 21.709 1.00 0.24 H new ATOM 0 H1 G A 9 41.115 21.409 15.447 1.00 0.39 H new ATOM 0 H21 G A 9 43.385 23.998 15.911 1.00 0.42 H new ATOM 0 H22 G A 9 42.308 23.132 14.811 1.00 0.42 H new ATOM 289 P U A 10 41.405 25.294 24.014 1.00 0.27 P ATOM 290 OP1 U A 10 41.602 26.483 24.876 1.00 0.35 O ATOM 291 OP2 U A 10 40.366 24.308 24.380 1.00 0.33 O ATOM 292 O5' U A 10 41.113 25.785 22.501 1.00 0.31 O ATOM 293 C5' U A 10 39.914 26.490 22.189 1.00 0.33 C ATOM 294 C4' U A 10 40.168 27.984 22.065 1.00 0.30 C ATOM 295 O4' U A 10 41.020 28.430 23.110 1.00 0.36 O ATOM 296 C3' U A 10 40.845 28.314 20.744 1.00 0.27 C ATOM 297 O3' U A 10 39.884 28.552 19.707 1.00 0.33 O ATOM 298 C2' U A 10 41.622 29.586 21.089 1.00 0.29 C ATOM 299 O2' U A 10 40.847 30.748 20.802 1.00 0.36 O ATOM 300 C1' U A 10 41.873 29.449 22.592 1.00 0.32 C ATOM 301 N1 U A 10 43.295 29.153 22.852 1.00 0.29 N ATOM 302 C2 U A 10 44.137 30.233 23.022 1.00 0.34 C ATOM 303 O2 U A 10 43.729 31.394 23.002 1.00 0.40 O ATOM 304 N3 U A 10 45.466 29.937 23.237 1.00 0.38 N ATOM 305 C4 U A 10 46.025 28.676 23.301 1.00 0.36 C ATOM 306 O4 U A 10 47.228 28.540 23.506 1.00 0.42 O ATOM 307 C5 U A 10 45.073 27.601 23.116 1.00 0.33 C ATOM 308 C6 U A 10 43.761 27.868 22.898 1.00 0.30 C ATOM 0 H5' U A 10 39.170 26.309 22.965 1.00 0.33 H new ATOM 0 H5'' U A 10 39.499 26.111 21.255 1.00 0.33 H new ATOM 0 H4' U A 10 39.200 28.482 22.122 1.00 0.30 H new ATOM 0 H3' U A 10 41.472 27.509 20.361 1.00 0.27 H new ATOM 0 H2' U A 10 42.541 29.696 20.513 1.00 0.29 H new ATOM 0 HO2' U A 10 40.076 30.499 20.250 1.00 0.36 H new ATOM 0 H1' U A 10 41.644 30.388 23.096 1.00 0.32 H new ATOM 0 H3 U A 10 46.099 30.727 23.361 1.00 0.38 H new ATOM 0 H5 U A 10 45.411 26.576 23.152 1.00 0.33 H new ATOM 0 H6 U A 10 43.071 27.049 22.758 1.00 0.30 H new ATOM 319 P U A 11 40.341 28.660 18.164 1.00 0.35 P ATOM 320 OP1 U A 11 41.819 28.572 18.103 1.00 0.36 O ATOM 321 OP2 U A 11 39.660 29.815 17.554 1.00 0.45 O ATOM 322 O5' U A 11 39.721 27.318 17.527 1.00 0.38 O ATOM 323 C5' U A 11 40.052 26.032 18.057 1.00 0.35 C ATOM 324 C4' U A 11 39.770 24.935 17.043 1.00 0.32 C ATOM 325 O4' U A 11 39.964 23.643 17.627 1.00 0.34 O ATOM 326 C3' U A 11 38.331 25.046 16.542 1.00 0.29 C ATOM 327 O3' U A 11 38.255 24.836 15.125 1.00 0.30 O ATOM 328 C2' U A 11 37.590 23.933 17.331 1.00 0.29 C ATOM 329 O2' U A 11 36.586 23.294 16.537 1.00 0.31 O ATOM 330 C1' U A 11 38.716 22.946 17.664 1.00 0.32 C ATOM 331 N1 U A 11 38.477 22.348 18.988 1.00 0.33 N ATOM 332 C2 U A 11 37.701 21.206 19.029 1.00 0.32 C ATOM 333 O2 U A 11 37.253 20.683 18.011 1.00 0.37 O ATOM 334 N3 U A 11 37.444 20.691 20.280 1.00 0.36 N ATOM 335 C4 U A 11 37.896 21.202 21.475 1.00 0.38 C ATOM 336 O4 U A 11 37.558 20.686 22.532 1.00 0.41 O ATOM 337 C5 U A 11 38.708 22.385 21.350 1.00 0.40 C ATOM 338 C6 U A 11 38.978 22.917 20.133 1.00 0.38 C ATOM 0 H5' U A 11 39.476 25.850 18.965 1.00 0.35 H new ATOM 0 H5'' U A 11 41.105 26.011 18.338 1.00 0.35 H new ATOM 0 H4' U A 11 40.462 25.056 16.210 1.00 0.32 H new ATOM 0 H3' U A 11 37.897 26.033 16.702 1.00 0.29 H new ATOM 0 H2' U A 11 37.064 24.318 18.204 1.00 0.29 H new ATOM 0 HO2' U A 11 36.280 22.480 16.989 1.00 0.31 H new ATOM 0 H1' U A 11 38.742 22.138 16.933 1.00 0.32 H new ATOM 0 H3 U A 11 36.865 19.853 20.325 1.00 0.36 H new ATOM 0 H5 U A 11 39.107 22.854 22.237 1.00 0.40 H new ATOM 0 H6 U A 11 39.595 23.800 20.063 1.00 0.38 H new ATOM 349 P U A 12 36.926 25.265 14.320 1.00 0.31 P ATOM 350 OP1 U A 12 37.291 25.677 12.949 1.00 0.39 O ATOM 351 OP2 U A 12 36.134 26.177 15.165 1.00 0.34 O ATOM 352 O5' U A 12 36.156 23.856 14.237 1.00 0.32 O ATOM 353 C5' U A 12 34.740 23.816 14.088 1.00 0.29 C ATOM 354 C4' U A 12 34.204 22.416 14.296 1.00 0.27 C ATOM 355 O4' U A 12 34.732 21.814 15.482 1.00 0.30 O ATOM 356 C3' U A 12 32.682 22.451 14.382 1.00 0.25 C ATOM 357 O3' U A 12 32.098 21.501 13.477 1.00 0.25 O ATOM 358 C2' U A 12 32.396 22.083 15.841 1.00 0.30 C ATOM 359 O2' U A 12 31.217 21.273 15.945 1.00 0.38 O ATOM 360 C1' U A 12 33.642 21.297 16.237 1.00 0.28 C ATOM 361 N1 U A 12 33.881 21.392 17.694 1.00 0.29 N ATOM 362 C2 U A 12 33.291 20.437 18.492 1.00 0.33 C ATOM 363 O2 U A 12 32.583 19.541 18.033 1.00 0.40 O ATOM 364 N3 U A 12 33.504 20.553 19.845 1.00 0.33 N ATOM 365 C4 U A 12 34.256 21.520 20.473 1.00 0.31 C ATOM 366 O4 U A 12 34.362 21.519 21.695 1.00 0.35 O ATOM 367 C5 U A 12 34.845 22.482 19.570 1.00 0.30 C ATOM 368 C6 U A 12 34.645 22.394 18.230 1.00 0.29 C ATOM 0 H5' U A 12 34.467 24.168 13.093 1.00 0.29 H new ATOM 0 H5'' U A 12 34.278 24.495 14.805 1.00 0.29 H new ATOM 0 H4' U A 12 34.518 21.814 13.443 1.00 0.27 H new ATOM 0 H3' U A 12 32.259 23.417 14.104 1.00 0.25 H new ATOM 0 H2' U A 12 32.209 22.947 16.479 1.00 0.30 H new ATOM 0 HO2' U A 12 30.460 21.744 15.539 1.00 0.38 H new ATOM 0 H1' U A 12 33.518 20.237 16.018 1.00 0.28 H new ATOM 0 H3 U A 12 33.062 19.854 20.442 1.00 0.33 H new ATOM 0 H5 U A 12 35.453 23.282 19.966 1.00 0.30 H new ATOM 0 H6 U A 12 35.096 23.126 17.576 1.00 0.29 H new ATOM 379 P G A 13 30.538 21.609 13.065 1.00 0.23 P ATOM 380 OP1 G A 13 30.466 21.990 11.635 1.00 0.32 O ATOM 381 OP2 G A 13 29.834 22.424 14.063 1.00 0.26 O ATOM 382 O5' G A 13 30.044 20.091 13.216 1.00 0.23 O ATOM 383 C5' G A 13 30.525 19.101 12.327 1.00 0.23 C ATOM 384 C4' G A 13 30.461 17.742 12.964 1.00 0.21 C ATOM 385 O4' G A 13 31.140 17.763 14.227 1.00 0.22 O ATOM 386 C3' G A 13 29.034 17.315 13.183 1.00 0.23 C ATOM 387 O3' G A 13 28.526 16.549 12.076 1.00 0.24 O ATOM 388 C2' G A 13 29.185 16.468 14.445 1.00 0.24 C ATOM 389 O2' G A 13 29.580 15.127 14.122 1.00 0.27 O ATOM 390 C1' G A 13 30.273 17.203 15.196 1.00 0.23 C ATOM 391 N9 G A 13 29.698 18.252 16.056 1.00 0.24 N ATOM 392 C8 G A 13 28.931 19.359 15.734 1.00 0.28 C ATOM 393 N7 G A 13 28.500 20.028 16.744 1.00 0.30 N ATOM 394 C5 G A 13 28.994 19.361 17.831 1.00 0.26 C ATOM 395 C6 G A 13 28.821 19.651 19.206 1.00 0.28 C ATOM 396 O6 G A 13 28.148 20.565 19.745 1.00 0.36 O ATOM 397 N1 G A 13 29.515 18.720 19.985 1.00 0.25 N ATOM 398 C2 G A 13 30.257 17.660 19.517 1.00 0.22 C ATOM 399 N2 G A 13 30.859 16.914 20.438 1.00 0.24 N ATOM 400 N3 G A 13 30.405 17.375 18.222 1.00 0.21 N ATOM 401 C4 G A 13 29.746 18.262 17.434 1.00 0.22 C ATOM 0 H5' G A 13 31.553 19.328 12.043 1.00 0.23 H new ATOM 0 H5'' G A 13 29.933 19.108 11.412 1.00 0.23 H new ATOM 0 H4' G A 13 30.943 17.032 12.292 1.00 0.21 H new ATOM 0 H3' G A 13 28.324 18.137 13.274 1.00 0.23 H new ATOM 0 H2' G A 13 28.263 16.359 15.016 1.00 0.24 H new ATOM 0 HO2' G A 13 29.671 14.605 14.947 1.00 0.27 H new ATOM 0 H1' G A 13 30.818 16.522 15.850 1.00 0.23 H new ATOM 0 H8 G A 13 28.712 19.639 14.714 1.00 0.28 H new ATOM 0 H1 G A 13 29.467 18.838 20.997 1.00 0.25 H new ATOM 0 H21 G A 13 31.424 16.113 20.156 1.00 0.24 H new ATOM 0 H22 G A 13 30.756 17.143 21.427 1.00 0.24 H new ATOM 413 P C A 14 26.931 16.522 11.796 1.00 0.27 P ATOM 414 OP1 C A 14 26.633 15.508 10.764 1.00 0.35 O ATOM 415 OP2 C A 14 26.482 17.908 11.589 1.00 0.37 O ATOM 416 O5' C A 14 26.331 16.005 13.206 1.00 0.28 O ATOM 417 C5' C A 14 26.640 14.698 13.658 1.00 0.28 C ATOM 418 C4' C A 14 26.436 14.516 15.154 1.00 0.28 C ATOM 419 O4' C A 14 27.112 15.496 15.926 1.00 0.33 O ATOM 420 C3' C A 14 24.990 14.587 15.520 1.00 0.24 C ATOM 421 O3' C A 14 24.302 13.379 15.182 1.00 0.25 O ATOM 422 C2' C A 14 25.109 14.780 17.024 1.00 0.27 C ATOM 423 O2' C A 14 25.205 13.518 17.708 1.00 0.36 O ATOM 424 C1' C A 14 26.394 15.603 17.157 1.00 0.31 C ATOM 425 N1 C A 14 26.062 17.008 17.491 1.00 0.32 N ATOM 426 C2 C A 14 25.750 17.284 18.817 1.00 0.43 C ATOM 427 O2 C A 14 25.762 16.386 19.656 1.00 0.51 O ATOM 428 N3 C A 14 25.412 18.559 19.150 1.00 0.51 N ATOM 429 C4 C A 14 25.398 19.528 18.234 1.00 0.48 C ATOM 430 N4 C A 14 25.056 20.759 18.604 1.00 0.60 N ATOM 431 C5 C A 14 25.712 19.255 16.860 1.00 0.37 C ATOM 432 C6 C A 14 26.051 17.991 16.536 1.00 0.30 C ATOM 0 H5' C A 14 27.677 14.470 13.409 1.00 0.28 H new ATOM 0 H5'' C A 14 26.019 13.980 13.123 1.00 0.28 H new ATOM 0 H4' C A 14 26.847 13.531 15.377 1.00 0.28 H new ATOM 0 H3' C A 14 24.418 15.360 15.007 1.00 0.24 H new ATOM 0 H2' C A 14 24.243 15.269 17.470 1.00 0.27 H new ATOM 0 HO2' C A 14 25.281 13.674 18.673 1.00 0.36 H new ATOM 0 H1' C A 14 27.021 15.227 17.966 1.00 0.31 H new ATOM 0 H41 C A 14 25.040 21.512 17.916 1.00 0.60 H new ATOM 0 H42 C A 14 24.810 20.950 19.575 1.00 0.60 H new ATOM 0 H5 C A 14 25.678 20.034 16.113 1.00 0.37 H new ATOM 0 H6 C A 14 26.316 17.751 15.517 1.00 0.30 H new ATOM 444 P U A 15 22.721 13.232 15.467 1.00 0.21 P ATOM 445 OP1 U A 15 22.253 11.979 14.835 1.00 0.32 O ATOM 446 OP2 U A 15 22.065 14.505 15.112 1.00 0.28 O ATOM 447 O5' U A 15 22.682 13.038 17.071 1.00 0.22 O ATOM 448 C5' U A 15 22.810 11.737 17.661 1.00 0.23 C ATOM 449 C4' U A 15 22.321 11.727 19.105 1.00 0.21 C ATOM 450 O4' U A 15 23.090 12.627 19.889 1.00 0.23 O ATOM 451 C3' U A 15 20.865 12.155 19.205 1.00 0.21 C ATOM 452 O3' U A 15 19.978 11.045 19.055 1.00 0.22 O ATOM 453 C2' U A 15 20.818 12.729 20.615 1.00 0.24 C ATOM 454 O2' U A 15 20.639 11.699 21.598 1.00 0.29 O ATOM 455 C1' U A 15 22.196 13.367 20.722 1.00 0.24 C ATOM 456 N1 U A 15 22.142 14.782 20.320 1.00 0.24 N ATOM 457 C2 U A 15 21.812 15.711 21.285 1.00 0.28 C ATOM 458 O2 U A 15 21.519 15.393 22.432 1.00 0.35 O ATOM 459 N3 U A 15 21.808 17.031 20.886 1.00 0.30 N ATOM 460 C4 U A 15 22.100 17.502 19.624 1.00 0.32 C ATOM 461 O4 U A 15 22.067 18.706 19.386 1.00 0.38 O ATOM 462 C5 U A 15 22.429 16.460 18.673 1.00 0.34 C ATOM 463 C6 U A 15 22.437 15.157 19.043 1.00 0.30 C ATOM 0 H5' U A 15 23.853 11.422 17.627 1.00 0.23 H new ATOM 0 H5'' U A 15 22.240 11.014 17.078 1.00 0.23 H new ATOM 0 H4' U A 15 22.426 10.705 19.470 1.00 0.21 H new ATOM 0 H3' U A 15 20.551 12.854 18.430 1.00 0.21 H new ATOM 0 H2' U A 15 19.991 13.418 20.789 1.00 0.24 H new ATOM 0 HO2' U A 15 20.614 12.100 22.492 1.00 0.29 H new ATOM 0 H1' U A 15 22.548 13.340 21.753 1.00 0.24 H new ATOM 0 H3 U A 15 21.566 17.725 21.593 1.00 0.30 H new ATOM 0 H5 U A 15 22.671 16.726 17.655 1.00 0.34 H new ATOM 0 H6 U A 15 22.682 14.401 18.312 1.00 0.30 H new ATOM 474 P C A 16 18.492 11.258 18.464 1.00 0.25 P ATOM 475 OP1 C A 16 17.877 9.923 18.317 1.00 0.32 O ATOM 476 OP2 C A 16 18.583 12.144 17.291 1.00 0.33 O ATOM 477 O5' C A 16 17.750 12.045 19.662 1.00 0.29 O ATOM 478 C5' C A 16 17.797 11.552 21.002 1.00 0.28 C ATOM 479 C4' C A 16 17.481 12.644 22.017 1.00 0.28 C ATOM 480 O4' C A 16 18.424 13.717 21.950 1.00 0.31 O ATOM 481 C3' C A 16 16.114 13.240 21.780 1.00 0.27 C ATOM 482 O3' C A 16 15.059 12.416 22.294 1.00 0.31 O ATOM 483 C2' C A 16 16.263 14.530 22.561 1.00 0.29 C ATOM 484 O2' C A 16 16.058 14.308 23.962 1.00 0.37 O ATOM 485 C1' C A 16 17.708 14.920 22.248 1.00 0.28 C ATOM 486 N1 C A 16 17.741 15.864 21.118 1.00 0.30 N ATOM 487 C2 C A 16 17.405 17.184 21.389 1.00 0.32 C ATOM 488 O2 C A 16 17.125 17.520 22.539 1.00 0.34 O ATOM 489 N3 C A 16 17.399 18.076 20.367 1.00 0.36 N ATOM 490 C4 C A 16 17.714 17.697 19.125 1.00 0.41 C ATOM 491 N4 C A 16 17.703 18.603 18.149 1.00 0.49 N ATOM 492 C5 C A 16 18.062 16.338 18.837 1.00 0.43 C ATOM 493 C6 C A 16 18.065 15.459 19.858 1.00 0.38 C ATOM 0 H5' C A 16 18.787 11.143 21.204 1.00 0.28 H new ATOM 0 H5'' C A 16 17.085 10.734 21.114 1.00 0.28 H new ATOM 0 H4' C A 16 17.524 12.163 22.994 1.00 0.28 H new ATOM 0 H3' C A 16 15.841 13.360 20.731 1.00 0.27 H new ATOM 0 H2' C A 16 15.540 15.302 22.297 1.00 0.29 H new ATOM 0 HO2' C A 16 16.315 15.111 24.461 1.00 0.37 H new ATOM 0 H1' C A 16 18.173 15.421 23.097 1.00 0.28 H new ATOM 0 H41 C A 16 17.941 18.329 17.196 1.00 0.49 H new ATOM 0 H42 C A 16 17.456 19.571 18.355 1.00 0.49 H new ATOM 0 H5 C A 16 18.314 16.028 17.834 1.00 0.43 H new ATOM 0 H6 C A 16 18.326 14.427 19.677 1.00 0.38 H new ATOM 505 P A A 17 13.526 12.790 21.977 1.00 0.29 P ATOM 506 OP1 A A 17 12.641 11.966 22.843 1.00 0.35 O ATOM 507 OP2 A A 17 13.332 12.771 20.517 1.00 0.37 O ATOM 508 O5' A A 17 13.445 14.319 22.484 1.00 0.27 O ATOM 509 C5' A A 17 13.357 14.607 23.877 1.00 0.27 C ATOM 510 C4' A A 17 12.859 16.029 24.133 1.00 0.24 C ATOM 511 O4' A A 17 13.774 17.007 23.650 1.00 0.29 O ATOM 512 C3' A A 17 11.535 16.264 23.458 1.00 0.26 C ATOM 513 O3' A A 17 10.434 15.712 24.228 1.00 0.32 O ATOM 514 C2' A A 17 11.521 17.792 23.414 1.00 0.36 C ATOM 515 O2' A A 17 10.936 18.334 24.602 1.00 0.55 O ATOM 516 C1' A A 17 13.013 18.158 23.291 1.00 0.30 C ATOM 517 N9 A A 17 13.332 18.597 21.925 1.00 0.26 N ATOM 518 C8 A A 17 13.827 17.875 20.882 1.00 0.28 C ATOM 519 N7 A A 17 14.007 18.556 19.788 1.00 0.31 N ATOM 520 C5 A A 17 13.598 19.838 20.142 1.00 0.28 C ATOM 521 C6 A A 17 13.540 21.047 19.433 1.00 0.32 C ATOM 522 N6 A A 17 13.902 21.159 18.162 1.00 0.39 N ATOM 523 N1 A A 17 13.089 22.126 20.078 1.00 0.35 N ATOM 524 C2 A A 17 12.720 22.044 21.367 1.00 0.37 C ATOM 525 N3 A A 17 12.723 20.954 22.126 1.00 0.34 N ATOM 526 C4 A A 17 13.187 19.875 21.440 1.00 0.27 C ATOM 0 H5' A A 17 14.336 14.477 24.338 1.00 0.27 H new ATOM 0 H5'' A A 17 12.683 13.895 24.353 1.00 0.27 H new ATOM 0 H4' A A 17 12.759 16.128 25.214 1.00 0.24 H new ATOM 0 H3' A A 17 11.419 15.789 22.484 1.00 0.26 H new ATOM 0 H2' A A 17 10.924 18.195 22.596 1.00 0.36 H new ATOM 0 HO2' A A 17 10.471 17.623 25.091 1.00 0.55 H new ATOM 0 HO3' A A 17 9.590 15.884 23.761 1.00 0.32 H new ATOM 0 H1' A A 17 13.255 18.988 23.956 1.00 0.30 H new ATOM 0 H8 A A 17 14.052 16.821 20.957 1.00 0.28 H new ATOM 0 H61 A A 17 13.841 22.062 17.692 1.00 0.39 H new ATOM 0 H62 A A 17 14.242 20.342 17.655 1.00 0.39 H new ATOM 0 H2 A A 17 12.386 22.959 21.834 1.00 0.37 H new TER 539 A A 17