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 -10:sc= 0.175 USER MOD Single : A 1 U O5' : rot 180:sc= -0.333 USER MOD Single : A 2 G O2' : rot -10:sc= -3.43! USER MOD Single : A 3 A O2' : rot 180:sc= -3.29! USER MOD Single : A 4 G O2' : rot 180:sc= -2.49! USER MOD Single : A 5 C O2' : rot -3:sc= -0.0684 USER MOD Single : A 6 U O2' : rot -22:sc= -0.0615 USER MOD Single : A 7 C O2' : rot -140:sc= 1.34 USER MOD Single : A 8 A O2' : rot -11:sc= 0.0457 USER MOD Single : A 9 G O2' : rot -15:sc= 0.219 USER MOD Single : A 10 U O2' : rot -26:sc= 0.447 USER MOD Single : A 11 U O2' : rot -139:sc= -3.1! USER MOD Single : A 12 U O2' : rot -115:sc= -1.18! USER MOD Single : A 13 G O2' : rot 180:sc= -3.3! USER MOD Single : A 14 C O2' : rot -137:sc= -0.182 USER MOD Single : A 15 U O2' : rot 180:sc= -1.2 USER MOD Single : A 16 C O2' : rot -23:sc= 0.0856 USER MOD Single : A 17 A O2' : rot -19:sc= 0.0967 USER MOD Single : A 17 A O3' : rot 180:sc= 0.1 USER MOD ----------------------------------------------------------------- ATOM 1 O5' U A 1 17.786 27.901 16.480 1.00 0.46 O ATOM 2 C5' U A 1 16.889 29.008 16.441 1.00 0.41 C ATOM 3 C4' U A 1 15.901 29.010 17.600 1.00 0.33 C ATOM 4 O4' U A 1 14.796 28.166 17.325 1.00 0.39 O ATOM 5 C3' U A 1 16.564 28.479 18.852 1.00 0.27 C ATOM 6 O3' U A 1 17.278 29.506 19.565 1.00 0.31 O ATOM 7 C2' U A 1 15.365 27.965 19.644 1.00 0.31 C ATOM 8 O2' U A 1 14.787 28.999 20.431 1.00 0.42 O ATOM 9 C1' U A 1 14.416 27.539 18.542 1.00 0.34 C ATOM 10 N1 U A 1 14.422 26.084 18.370 1.00 0.31 N ATOM 11 C2 U A 1 13.897 25.298 19.390 1.00 0.37 C ATOM 12 O2 U A 1 13.472 25.771 20.428 1.00 0.54 O ATOM 13 N3 U A 1 13.897 23.930 19.181 1.00 0.37 N ATOM 14 C4 U A 1 14.364 23.266 18.079 1.00 0.36 C ATOM 15 O4 U A 1 14.268 22.036 17.998 1.00 0.43 O ATOM 16 C5 U A 1 14.897 24.142 17.053 1.00 0.42 C ATOM 17 C6 U A 1 14.913 25.499 17.228 1.00 0.38 C ATOM 0 H5' U A 1 16.338 28.990 15.501 1.00 0.41 H new ATOM 0 H5'' U A 1 17.462 29.935 16.457 1.00 0.41 H new ATOM 0 H4' U A 1 15.567 30.038 17.738 1.00 0.33 H new ATOM 0 H3' U A 1 17.323 27.721 18.657 1.00 0.27 H new ATOM 0 H2' U A 1 15.616 27.171 20.347 1.00 0.31 H new ATOM 0 HO2' U A 1 15.377 29.781 20.428 1.00 0.42 H new ATOM 0 HO5' U A 1 18.396 27.947 15.715 1.00 0.46 H new ATOM 0 H1' U A 1 13.407 27.843 18.819 1.00 0.34 H new ATOM 0 H3 U A 1 13.507 23.355 19.928 1.00 0.37 H new ATOM 0 H5 U A 1 15.286 23.718 16.139 1.00 0.42 H new ATOM 0 H6 U A 1 15.322 26.126 16.449 1.00 0.38 H new ATOM 29 P G A 2 18.711 29.186 20.232 1.00 0.28 P ATOM 30 OP1 G A 2 19.350 30.458 20.631 1.00 0.35 O ATOM 31 OP2 G A 2 19.445 28.256 19.334 1.00 0.31 O ATOM 32 O5' G A 2 18.279 28.386 21.567 1.00 0.27 O ATOM 33 C5' G A 2 17.516 29.028 22.592 1.00 0.28 C ATOM 34 C4' G A 2 17.007 28.039 23.636 1.00 0.22 C ATOM 35 O4' G A 2 16.213 27.014 23.033 1.00 0.25 O ATOM 36 C3' G A 2 18.165 27.372 24.353 1.00 0.19 C ATOM 37 O3' G A 2 18.582 28.109 25.507 1.00 0.22 O ATOM 38 C2' G A 2 17.570 26.022 24.745 1.00 0.21 C ATOM 39 O2' G A 2 16.898 26.097 26.008 1.00 0.27 O ATOM 40 C1' G A 2 16.595 25.755 23.603 1.00 0.23 C ATOM 41 N9 G A 2 17.233 24.893 22.598 1.00 0.24 N ATOM 42 C8 G A 2 17.815 25.246 21.422 1.00 0.28 C ATOM 43 N7 G A 2 18.343 24.268 20.755 1.00 0.28 N ATOM 44 C5 G A 2 18.098 23.163 21.562 1.00 0.24 C ATOM 45 C6 G A 2 18.443 21.804 21.369 1.00 0.27 C ATOM 46 O6 G A 2 19.039 21.298 20.415 1.00 0.32 O ATOM 47 N1 G A 2 18.006 21.012 22.427 1.00 0.29 N ATOM 48 C2 G A 2 17.327 21.473 23.534 1.00 0.28 C ATOM 49 N2 G A 2 16.990 20.571 24.444 1.00 0.34 N ATOM 50 N3 G A 2 16.997 22.751 23.720 1.00 0.26 N ATOM 51 C4 G A 2 17.414 23.536 22.699 1.00 0.23 C ATOM 0 H5' G A 2 16.669 29.546 22.142 1.00 0.28 H new ATOM 0 H5'' G A 2 18.130 29.785 23.080 1.00 0.28 H new ATOM 0 H4' G A 2 16.402 28.607 24.343 1.00 0.22 H new ATOM 0 H3' G A 2 19.062 27.299 23.739 1.00 0.19 H new ATOM 0 H2' G A 2 18.313 25.235 24.873 1.00 0.21 H new ATOM 0 HO2' G A 2 17.099 26.956 26.435 1.00 0.27 H new ATOM 0 H1' G A 2 15.706 25.241 23.969 1.00 0.23 H new ATOM 0 H8 G A 2 17.836 26.266 21.069 1.00 0.28 H new ATOM 0 H1 G A 2 18.204 20.013 22.379 1.00 0.29 H new ATOM 0 H21 G A 2 16.486 20.857 25.283 1.00 0.34 H new ATOM 0 H22 G A 2 17.234 19.591 24.305 1.00 0.34 H new ATOM 63 P A A 3 20.083 27.923 26.060 1.00 0.25 P ATOM 64 OP1 A A 3 20.204 28.591 27.374 1.00 0.33 O ATOM 65 OP2 A A 3 21.006 28.311 24.985 1.00 0.32 O ATOM 66 O5' A A 3 20.213 26.328 26.269 1.00 0.24 O ATOM 67 C5' A A 3 19.464 25.646 27.274 1.00 0.24 C ATOM 68 C4' A A 3 19.826 24.155 27.377 1.00 0.25 C ATOM 69 O4' A A 3 19.134 23.368 26.408 1.00 0.29 O ATOM 70 C3' A A 3 21.307 23.870 27.147 1.00 0.23 C ATOM 71 O3' A A 3 22.142 24.237 28.250 1.00 0.27 O ATOM 72 C2' A A 3 21.227 22.341 26.953 1.00 0.26 C ATOM 73 O2' A A 3 21.079 21.648 28.204 1.00 0.33 O ATOM 74 C1' A A 3 19.968 22.231 26.108 1.00 0.27 C ATOM 75 N9 A A 3 20.351 22.170 24.678 1.00 0.23 N ATOM 76 C8 A A 3 20.544 23.185 23.793 1.00 0.24 C ATOM 77 N7 A A 3 21.003 22.808 22.635 1.00 0.24 N ATOM 78 C5 A A 3 21.132 21.441 22.771 1.00 0.22 C ATOM 79 C6 A A 3 21.587 20.451 21.906 1.00 0.25 C ATOM 80 N6 A A 3 21.998 20.700 20.662 1.00 0.27 N ATOM 81 N1 A A 3 21.569 19.195 22.351 1.00 0.28 N ATOM 82 C2 A A 3 21.159 18.920 23.582 1.00 0.30 C ATOM 83 N3 A A 3 20.724 19.784 24.487 1.00 0.27 N ATOM 84 C4 A A 3 20.734 21.036 24.004 1.00 0.23 C ATOM 0 H5' A A 3 18.400 25.743 27.057 1.00 0.24 H new ATOM 0 H5'' A A 3 19.637 26.125 28.238 1.00 0.24 H new ATOM 0 H4' A A 3 19.541 23.892 28.396 1.00 0.25 H new ATOM 0 H3' A A 3 21.758 24.432 26.330 1.00 0.23 H new ATOM 0 H2' A A 3 22.118 21.899 26.507 1.00 0.26 H new ATOM 0 HO2' A A 3 21.031 20.683 28.040 1.00 0.33 H new ATOM 0 H1' A A 3 19.406 21.324 26.331 1.00 0.27 H new ATOM 0 H8 A A 3 20.334 24.217 24.031 1.00 0.24 H new ATOM 0 H61 A A 3 22.322 19.936 20.069 1.00 0.27 H new ATOM 0 H62 A A 3 21.988 21.655 20.303 1.00 0.27 H new ATOM 0 H2 A A 3 21.182 17.882 23.878 1.00 0.30 H new ATOM 96 P G A 4 23.740 24.262 28.054 1.00 0.24 P ATOM 97 OP1 G A 4 24.369 24.724 29.310 1.00 0.32 O ATOM 98 OP2 G A 4 24.046 24.962 26.788 1.00 0.26 O ATOM 99 O5' G A 4 24.068 22.696 27.870 1.00 0.25 O ATOM 100 C5' G A 4 23.742 21.773 28.908 1.00 0.27 C ATOM 101 C4' G A 4 23.883 20.325 28.457 1.00 0.23 C ATOM 102 O4' G A 4 23.118 20.062 27.280 1.00 0.25 O ATOM 103 C3' G A 4 25.326 19.985 28.128 1.00 0.19 C ATOM 104 O3' G A 4 26.104 19.691 29.294 1.00 0.21 O ATOM 105 C2' G A 4 25.114 18.767 27.248 1.00 0.21 C ATOM 106 O2' G A 4 24.814 17.600 28.023 1.00 0.26 O ATOM 107 C1' G A 4 23.907 19.220 26.437 1.00 0.22 C ATOM 108 N9 G A 4 24.354 19.936 25.232 1.00 0.23 N ATOM 109 C8 G A 4 24.463 21.283 25.034 1.00 0.26 C ATOM 110 N7 G A 4 24.937 21.627 23.881 1.00 0.30 N ATOM 111 C5 G A 4 25.167 20.412 23.247 1.00 0.27 C ATOM 112 C6 G A 4 25.691 20.154 21.954 1.00 0.32 C ATOM 113 O6 G A 4 26.048 20.958 21.101 1.00 0.37 O ATOM 114 N1 G A 4 25.773 18.792 21.702 1.00 0.33 N ATOM 115 C2 G A 4 25.393 17.800 22.581 1.00 0.32 C ATOM 116 N2 G A 4 25.564 16.550 22.170 1.00 0.35 N ATOM 117 N3 G A 4 24.897 18.037 23.802 1.00 0.28 N ATOM 118 C4 G A 4 24.816 19.359 24.065 1.00 0.25 C ATOM 0 H5' G A 4 22.719 21.950 29.241 1.00 0.27 H new ATOM 0 H5'' G A 4 24.391 21.949 29.766 1.00 0.27 H new ATOM 0 H4' G A 4 23.523 19.719 29.289 1.00 0.23 H new ATOM 0 H3' G A 4 25.890 20.794 27.663 1.00 0.19 H new ATOM 0 H2' G A 4 25.982 18.479 26.655 1.00 0.21 H new ATOM 0 HO2' G A 4 24.682 16.835 27.425 1.00 0.26 H new ATOM 0 H1' G A 4 23.312 18.369 26.105 1.00 0.22 H new ATOM 0 H8 G A 4 24.175 22.006 25.783 1.00 0.26 H new ATOM 0 H1 G A 4 26.143 18.502 20.797 1.00 0.33 H new ATOM 0 H21 G A 4 25.301 15.773 22.777 1.00 0.35 H new ATOM 0 H22 G A 4 25.958 16.366 21.247 1.00 0.35 H new ATOM 130 P C A 5 27.694 19.985 29.294 1.00 0.22 P ATOM 131 OP1 C A 5 28.236 19.710 30.647 1.00 0.31 O ATOM 132 OP2 C A 5 27.934 21.311 28.685 1.00 0.29 O ATOM 133 O5' C A 5 28.243 18.846 28.292 1.00 0.23 O ATOM 134 C5' C A 5 27.786 17.495 28.412 1.00 0.21 C ATOM 135 C4' C A 5 28.152 16.658 27.196 1.00 0.21 C ATOM 136 O4' C A 5 27.410 17.084 26.064 1.00 0.24 O ATOM 137 C3' C A 5 29.623 16.792 26.864 1.00 0.21 C ATOM 138 O3' C A 5 30.429 15.855 27.597 1.00 0.24 O ATOM 139 C2' C A 5 29.633 16.507 25.365 1.00 0.27 C ATOM 140 O2' C A 5 29.837 15.112 25.088 1.00 0.36 O ATOM 141 C1' C A 5 28.246 16.971 24.918 1.00 0.25 C ATOM 142 N1 C A 5 28.344 18.251 24.190 1.00 0.25 N ATOM 143 C2 C A 5 28.544 18.199 22.819 1.00 0.33 C ATOM 144 O2 C A 5 28.619 17.115 22.248 1.00 0.41 O ATOM 145 N3 C A 5 28.652 19.369 22.139 1.00 0.36 N ATOM 146 C4 C A 5 28.563 20.541 22.773 1.00 0.32 C ATOM 147 N4 C A 5 28.682 21.670 22.081 1.00 0.38 N ATOM 148 C5 C A 5 28.354 20.591 24.188 1.00 0.25 C ATOM 149 C6 C A 5 28.251 19.437 24.847 1.00 0.22 C ATOM 0 H5' C A 5 26.704 17.489 28.544 1.00 0.21 H new ATOM 0 H5'' C A 5 28.218 17.044 29.305 1.00 0.21 H new ATOM 0 H4' C A 5 27.922 15.620 27.436 1.00 0.21 H new ATOM 0 H3' C A 5 30.045 17.761 27.128 1.00 0.21 H new ATOM 0 H2' C A 5 30.445 17.013 24.842 1.00 0.27 H new ATOM 0 HO2' C A 5 29.982 14.629 25.929 1.00 0.36 H new ATOM 0 H1' C A 5 27.809 16.243 24.234 1.00 0.25 H new ATOM 0 H41 C A 5 28.615 22.570 22.557 1.00 0.38 H new ATOM 0 H42 C A 5 28.840 21.637 21.074 1.00 0.38 H new ATOM 0 H5 C A 5 28.282 21.536 24.706 1.00 0.25 H new ATOM 0 H6 C A 5 28.092 19.445 25.915 1.00 0.22 H new ATOM 161 P U A 6 32.046 15.896 27.529 1.00 0.26 P ATOM 162 OP1 U A 6 32.574 15.115 28.677 1.00 0.35 O ATOM 163 OP2 U A 6 32.487 17.294 27.339 1.00 0.33 O ATOM 164 O5' U A 6 32.336 15.080 26.172 1.00 0.26 O ATOM 165 C5' U A 6 32.462 13.661 26.192 1.00 0.26 C ATOM 166 C4' U A 6 32.832 13.106 24.828 1.00 0.24 C ATOM 167 O4' U A 6 31.924 13.560 23.825 1.00 0.28 O ATOM 168 C3' U A 6 34.222 13.565 24.420 1.00 0.19 C ATOM 169 O3' U A 6 35.252 12.718 24.932 1.00 0.21 O ATOM 170 C2' U A 6 34.123 13.472 22.910 1.00 0.27 C ATOM 171 O2' U A 6 34.293 12.126 22.451 1.00 0.40 O ATOM 172 C1' U A 6 32.700 13.952 22.686 1.00 0.28 C ATOM 173 N1 U A 6 32.686 15.415 22.499 1.00 0.26 N ATOM 174 C2 U A 6 33.166 15.901 21.292 1.00 0.32 C ATOM 175 O2 U A 6 33.580 15.150 20.402 1.00 0.41 O ATOM 176 N3 U A 6 33.135 17.269 21.135 1.00 0.35 N ATOM 177 C4 U A 6 32.671 18.183 22.062 1.00 0.33 C ATOM 178 O4 U A 6 32.645 19.376 21.793 1.00 0.43 O ATOM 179 C5 U A 6 32.198 17.592 23.289 1.00 0.30 C ATOM 180 C6 U A 6 32.219 16.250 23.470 1.00 0.26 C ATOM 0 H5' U A 6 31.522 13.218 26.522 1.00 0.26 H new ATOM 0 H5'' U A 6 33.222 13.374 26.919 1.00 0.26 H new ATOM 0 H4' U A 6 32.794 12.020 24.908 1.00 0.24 H new ATOM 0 H3' U A 6 34.489 14.551 24.800 1.00 0.19 H new ATOM 0 H2' U A 6 34.885 14.041 22.376 1.00 0.27 H new ATOM 0 HO2' U A 6 34.768 11.606 23.132 1.00 0.40 H new ATOM 0 H1' U A 6 32.274 13.508 21.786 1.00 0.28 H new ATOM 0 H3 U A 6 33.487 17.642 20.253 1.00 0.35 H new ATOM 0 H5 U A 6 31.821 18.229 24.076 1.00 0.30 H new ATOM 0 H6 U A 6 31.860 15.834 24.400 1.00 0.26 H new ATOM 191 P C A 7 36.631 13.376 25.447 1.00 0.25 P ATOM 192 OP1 C A 7 37.613 12.294 25.686 1.00 0.40 O ATOM 193 OP2 C A 7 36.323 14.321 26.547 1.00 0.35 O ATOM 194 O5' C A 7 37.094 14.230 24.158 1.00 0.24 O ATOM 195 C5' C A 7 37.378 13.585 22.912 1.00 0.28 C ATOM 196 C4' C A 7 37.555 14.579 21.795 1.00 0.29 C ATOM 197 O4' C A 7 36.374 15.331 21.589 1.00 0.29 O ATOM 198 C3' C A 7 38.677 15.533 22.149 1.00 0.27 C ATOM 199 O3' C A 7 39.934 15.066 21.655 1.00 0.31 O ATOM 200 C2' C A 7 38.256 16.826 21.478 1.00 0.28 C ATOM 201 O2' C A 7 38.829 16.940 20.175 1.00 0.32 O ATOM 202 C1' C A 7 36.739 16.699 21.421 1.00 0.28 C ATOM 203 N1 C A 7 36.098 17.537 22.453 1.00 0.26 N ATOM 204 C2 C A 7 35.690 18.812 22.080 1.00 0.36 C ATOM 205 O2 C A 7 35.873 19.206 20.927 1.00 0.45 O ATOM 206 N3 C A 7 35.085 19.590 23.017 1.00 0.41 N ATOM 207 C4 C A 7 34.888 19.140 24.261 1.00 0.39 C ATOM 208 N4 C A 7 34.283 19.926 25.149 1.00 0.51 N ATOM 209 C5 C A 7 35.309 17.833 24.652 1.00 0.31 C ATOM 210 C6 C A 7 35.904 17.067 23.722 1.00 0.24 C ATOM 0 H5' C A 7 36.567 12.900 22.664 1.00 0.28 H new ATOM 0 H5'' C A 7 38.283 12.985 23.011 1.00 0.28 H new ATOM 0 H4' C A 7 37.787 14.029 20.883 1.00 0.29 H new ATOM 0 H3' C A 7 38.823 15.642 23.224 1.00 0.27 H new ATOM 0 H2' C A 7 38.587 17.720 22.007 1.00 0.28 H new ATOM 0 HO2' C A 7 39.116 17.865 20.024 1.00 0.32 H new ATOM 0 H1' C A 7 36.392 17.050 20.449 1.00 0.28 H new ATOM 0 H41 C A 7 34.127 19.594 26.101 1.00 0.51 H new ATOM 0 H42 C A 7 33.976 20.860 24.877 1.00 0.51 H new ATOM 0 H5 C A 7 35.155 17.473 25.659 1.00 0.31 H new ATOM 0 H6 C A 7 36.232 16.071 23.979 1.00 0.24 H new ATOM 222 P A A 8 40.956 14.340 22.649 1.00 0.26 P ATOM 223 OP1 A A 8 42.300 14.378 22.040 1.00 0.32 O ATOM 224 OP2 A A 8 40.381 13.047 23.061 1.00 0.41 O ATOM 225 O5' A A 8 40.921 15.333 23.907 1.00 0.31 O ATOM 226 C5' A A 8 41.985 15.345 24.853 1.00 0.27 C ATOM 227 C4' A A 8 42.929 16.502 24.606 1.00 0.25 C ATOM 228 O4' A A 8 43.646 16.343 23.391 1.00 0.32 O ATOM 229 C3' A A 8 42.169 17.798 24.500 1.00 0.23 C ATOM 230 O3' A A 8 41.845 18.341 25.783 1.00 0.22 O ATOM 231 C2' A A 8 43.167 18.674 23.755 1.00 0.29 C ATOM 232 O2' A A 8 44.078 19.308 24.663 1.00 0.35 O ATOM 233 C1' A A 8 43.873 17.657 22.861 1.00 0.31 C ATOM 234 N9 A A 8 43.379 17.775 21.463 1.00 0.30 N ATOM 235 C8 A A 8 42.624 16.901 20.731 1.00 0.32 C ATOM 236 N7 A A 8 42.354 17.272 19.533 1.00 0.35 N ATOM 237 C5 A A 8 42.982 18.515 19.439 1.00 0.32 C ATOM 238 C6 A A 8 43.089 19.455 18.411 1.00 0.35 C ATOM 239 N6 A A 8 42.548 19.294 17.219 1.00 0.41 N ATOM 240 N1 A A 8 43.785 20.560 18.675 1.00 0.36 N ATOM 241 C2 A A 8 44.342 20.731 19.867 1.00 0.36 C ATOM 242 N3 A A 8 44.310 19.913 20.910 1.00 0.34 N ATOM 243 C4 A A 8 43.608 18.822 20.624 1.00 0.30 C ATOM 0 H5' A A 8 42.535 14.406 24.796 1.00 0.27 H new ATOM 0 H5'' A A 8 41.577 15.415 25.861 1.00 0.27 H new ATOM 0 H4' A A 8 43.618 16.520 25.450 1.00 0.25 H new ATOM 0 H3' A A 8 41.203 17.700 24.005 1.00 0.23 H new ATOM 0 H2' A A 8 42.712 19.496 23.203 1.00 0.29 H new ATOM 0 HO2' A A 8 43.757 19.193 25.582 1.00 0.35 H new ATOM 0 H1' A A 8 44.946 17.849 22.844 1.00 0.31 H new ATOM 0 H8 A A 8 42.278 15.961 21.135 1.00 0.32 H new ATOM 0 H61 A A 8 42.659 20.016 16.507 1.00 0.41 H new ATOM 0 H62 A A 8 42.018 18.448 17.010 1.00 0.41 H new ATOM 0 H2 A A 8 44.890 21.651 20.005 1.00 0.36 H new ATOM 255 P G A 9 40.434 19.076 26.007 1.00 0.23 P ATOM 256 OP1 G A 9 40.390 19.615 27.373 1.00 0.36 O ATOM 257 OP2 G A 9 39.354 18.163 25.560 1.00 0.32 O ATOM 258 O5' G A 9 40.534 20.306 24.978 1.00 0.24 O ATOM 259 C5' G A 9 41.472 21.349 25.186 1.00 0.29 C ATOM 260 C4' G A 9 41.675 22.193 23.952 1.00 0.26 C ATOM 261 O4' G A 9 42.088 21.414 22.840 1.00 0.28 O ATOM 262 C3' G A 9 40.394 22.885 23.547 1.00 0.23 C ATOM 263 O3' G A 9 40.143 24.050 24.349 1.00 0.25 O ATOM 264 C2' G A 9 40.718 23.256 22.092 1.00 0.25 C ATOM 265 O2' G A 9 41.366 24.518 22.018 1.00 0.32 O ATOM 266 C1' G A 9 41.665 22.120 21.681 1.00 0.26 C ATOM 267 N9 G A 9 41.013 21.226 20.718 1.00 0.24 N ATOM 268 C8 G A 9 40.407 20.016 20.909 1.00 0.25 C ATOM 269 N7 G A 9 39.897 19.481 19.822 1.00 0.27 N ATOM 270 C5 G A 9 40.181 20.414 18.840 1.00 0.27 C ATOM 271 C6 G A 9 39.886 20.409 17.447 1.00 0.33 C ATOM 272 O6 G A 9 39.307 19.547 16.790 1.00 0.38 O ATOM 273 N1 G A 9 40.367 21.548 16.813 1.00 0.36 N ATOM 274 C2 G A 9 41.048 22.576 17.438 1.00 0.36 C ATOM 275 N2 G A 9 41.429 23.578 16.677 1.00 0.45 N ATOM 276 N3 G A 9 41.326 22.595 18.740 1.00 0.31 N ATOM 277 C4 G A 9 40.868 21.497 19.383 1.00 0.26 C ATOM 0 H5' G A 9 42.427 20.920 25.491 1.00 0.29 H new ATOM 0 H5'' G A 9 41.131 21.983 26.005 1.00 0.29 H new ATOM 0 H4' G A 9 42.446 22.918 24.213 1.00 0.26 H new ATOM 0 H3' G A 9 39.495 22.280 23.670 1.00 0.23 H new ATOM 0 H2' G A 9 39.840 23.351 21.453 1.00 0.25 H new ATOM 0 HO2' G A 9 41.254 24.994 22.867 1.00 0.32 H new ATOM 0 H1' G A 9 42.543 22.541 21.191 1.00 0.26 H new ATOM 0 H8 G A 9 40.352 19.538 21.876 1.00 0.25 H new ATOM 0 H1 G A 9 40.205 21.632 15.809 1.00 0.36 H new ATOM 0 H21 G A 9 41.935 24.364 17.085 1.00 0.45 H new ATOM 0 H22 G A 9 41.218 23.569 15.679 1.00 0.45 H new ATOM 289 P U A 10 38.630 24.574 24.569 1.00 0.25 P ATOM 290 OP1 U A 10 38.489 25.021 25.962 1.00 0.37 O ATOM 291 OP2 U A 10 37.708 23.533 24.044 1.00 0.30 O ATOM 292 O5' U A 10 38.566 25.852 23.584 1.00 0.24 O ATOM 293 C5' U A 10 37.316 26.431 23.217 1.00 0.25 C ATOM 294 C4' U A 10 37.403 27.947 23.034 1.00 0.19 C ATOM 295 O4' U A 10 37.900 28.547 24.228 1.00 0.23 O ATOM 296 C3' U A 10 38.329 28.315 21.866 1.00 0.18 C ATOM 297 O3' U A 10 37.602 28.721 20.688 1.00 0.26 O ATOM 298 C2' U A 10 39.124 29.500 22.405 1.00 0.23 C ATOM 299 O2' U A 10 38.558 30.724 21.944 1.00 0.39 O ATOM 300 C1' U A 10 39.001 29.375 23.912 1.00 0.19 C ATOM 301 N1 U A 10 40.223 28.839 24.513 1.00 0.19 N ATOM 302 C2 U A 10 41.055 29.722 25.197 1.00 0.23 C ATOM 303 O2 U A 10 40.836 30.924 25.268 1.00 0.33 O ATOM 304 N3 U A 10 42.156 29.174 25.813 1.00 0.30 N ATOM 305 C4 U A 10 42.514 27.859 25.829 1.00 0.38 C ATOM 306 O4 U A 10 43.520 27.507 26.433 1.00 0.48 O ATOM 307 C5 U A 10 41.610 26.990 25.092 1.00 0.41 C ATOM 308 C6 U A 10 40.508 27.501 24.464 1.00 0.31 C ATOM 0 H5' U A 10 36.575 26.203 23.983 1.00 0.25 H new ATOM 0 H5'' U A 10 36.967 25.976 22.290 1.00 0.25 H new ATOM 0 H4' U A 10 36.402 28.317 22.814 1.00 0.19 H new ATOM 0 H3' U A 10 38.937 27.465 21.557 1.00 0.18 H new ATOM 0 H2' U A 10 40.163 29.500 22.076 1.00 0.23 H new ATOM 0 HO2' U A 10 38.091 30.570 21.097 1.00 0.39 H new ATOM 0 H1' U A 10 38.844 30.372 24.324 1.00 0.19 H new ATOM 0 H3 U A 10 42.769 29.820 26.310 1.00 0.30 H new ATOM 0 H5 U A 10 41.811 25.930 25.040 1.00 0.41 H new ATOM 0 H6 U A 10 39.852 26.838 23.920 1.00 0.31 H new ATOM 319 P U A 11 36.342 27.880 20.106 1.00 0.27 P ATOM 320 OP1 U A 11 35.535 28.794 19.276 1.00 0.42 O ATOM 321 OP2 U A 11 35.697 27.156 21.209 1.00 0.34 O ATOM 322 O5' U A 11 37.043 26.781 19.156 1.00 0.29 O ATOM 323 C5' U A 11 38.081 27.135 18.259 1.00 0.27 C ATOM 324 C4' U A 11 38.265 26.122 17.120 1.00 0.25 C ATOM 325 O4' U A 11 38.743 24.882 17.639 1.00 0.27 O ATOM 326 C3' U A 11 36.960 25.852 16.360 1.00 0.21 C ATOM 327 O3' U A 11 37.219 25.572 14.970 1.00 0.24 O ATOM 328 C2' U A 11 36.410 24.610 17.086 1.00 0.20 C ATOM 329 O2' U A 11 35.670 23.784 16.186 1.00 0.22 O ATOM 330 C1' U A 11 37.698 23.912 17.571 1.00 0.23 C ATOM 331 N1 U A 11 37.484 23.288 18.896 1.00 0.23 N ATOM 332 C2 U A 11 37.090 21.961 18.926 1.00 0.26 C ATOM 333 O2 U A 11 36.928 21.306 17.902 1.00 0.31 O ATOM 334 N3 U A 11 36.898 21.411 20.179 1.00 0.30 N ATOM 335 C4 U A 11 37.065 22.054 21.390 1.00 0.32 C ATOM 336 O4 U A 11 36.877 21.455 22.443 1.00 0.40 O ATOM 337 C5 U A 11 37.477 23.433 21.274 1.00 0.30 C ATOM 338 C6 U A 11 37.671 24.001 20.053 1.00 0.26 C ATOM 0 H5' U A 11 39.016 27.225 18.812 1.00 0.27 H new ATOM 0 H5'' U A 11 37.867 28.116 17.834 1.00 0.27 H new ATOM 0 H4' U A 11 38.985 26.559 16.428 1.00 0.25 H new ATOM 0 H3' U A 11 36.271 26.696 16.358 1.00 0.21 H new ATOM 0 H2' U A 11 35.717 24.841 17.895 1.00 0.20 H new ATOM 0 HO2' U A 11 34.868 23.445 16.637 1.00 0.22 H new ATOM 0 H1' U A 11 37.973 23.122 16.872 1.00 0.23 H new ATOM 0 H3 U A 11 36.604 20.435 20.213 1.00 0.30 H new ATOM 0 H5 U A 11 37.633 24.020 22.167 1.00 0.30 H new ATOM 0 H6 U A 11 37.979 25.035 19.993 1.00 0.26 H new ATOM 349 P U A 12 35.989 25.359 13.941 1.00 0.17 P ATOM 350 OP1 U A 12 36.318 26.016 12.653 1.00 0.26 O ATOM 351 OP2 U A 12 34.726 25.709 14.621 1.00 0.25 O ATOM 352 O5' U A 12 36.032 23.768 13.727 1.00 0.18 O ATOM 353 C5' U A 12 34.829 23.052 13.494 1.00 0.17 C ATOM 354 C4' U A 12 34.921 21.600 13.937 1.00 0.17 C ATOM 355 O4' U A 12 35.218 21.478 15.328 1.00 0.18 O ATOM 356 C3' U A 12 33.602 20.904 13.646 1.00 0.19 C ATOM 357 O3' U A 12 33.807 19.776 12.793 1.00 0.21 O ATOM 358 C2' U A 12 33.071 20.484 15.020 1.00 0.21 C ATOM 359 O2' U A 12 32.529 19.166 14.974 1.00 0.24 O ATOM 360 C1' U A 12 34.315 20.535 15.899 1.00 0.20 C ATOM 361 N1 U A 12 33.943 20.895 17.298 1.00 0.21 N ATOM 362 C2 U A 12 33.393 19.898 18.103 1.00 0.24 C ATOM 363 O2 U A 12 33.289 18.732 17.731 1.00 0.27 O ATOM 364 N3 U A 12 32.973 20.289 19.369 1.00 0.27 N ATOM 365 C4 U A 12 33.060 21.563 19.893 1.00 0.29 C ATOM 366 O4 U A 12 32.637 21.814 21.019 1.00 0.36 O ATOM 367 C5 U A 12 33.655 22.534 18.996 1.00 0.28 C ATOM 368 C6 U A 12 34.067 22.184 17.760 1.00 0.23 C ATOM 0 H5' U A 12 34.587 23.090 12.432 1.00 0.17 H new ATOM 0 H5'' U A 12 34.011 23.539 14.025 1.00 0.17 H new ATOM 0 H4' U A 12 35.735 21.135 13.381 1.00 0.17 H new ATOM 0 H3' U A 12 32.895 21.548 13.123 1.00 0.19 H new ATOM 0 H2' U A 12 32.264 21.120 15.384 1.00 0.21 H new ATOM 0 HO2' U A 12 31.566 19.202 15.153 1.00 0.24 H new ATOM 0 H1' U A 12 34.799 19.560 15.943 1.00 0.20 H new ATOM 0 H3 U A 12 32.563 19.569 19.965 1.00 0.27 H new ATOM 0 H5 U A 12 33.771 23.557 19.323 1.00 0.28 H new ATOM 0 H6 U A 12 34.505 22.934 17.118 1.00 0.23 H new ATOM 379 P G A 13 32.778 19.502 11.579 1.00 0.23 P ATOM 380 OP1 G A 13 33.530 18.886 10.460 1.00 0.31 O ATOM 381 OP2 G A 13 32.006 20.737 11.333 1.00 0.29 O ATOM 382 O5' G A 13 31.810 18.403 12.239 1.00 0.19 O ATOM 383 C5' G A 13 31.982 17.026 11.920 1.00 0.20 C ATOM 384 C4' G A 13 31.431 16.098 12.997 1.00 0.20 C ATOM 385 O4' G A 13 31.975 16.403 14.288 1.00 0.22 O ATOM 386 C3' G A 13 29.919 16.200 13.139 1.00 0.20 C ATOM 387 O3' G A 13 29.198 15.481 12.125 1.00 0.24 O ATOM 388 C2' G A 13 29.758 15.553 14.501 1.00 0.22 C ATOM 389 O2' G A 13 29.856 14.121 14.426 1.00 0.28 O ATOM 390 C1' G A 13 30.943 16.152 15.245 1.00 0.22 C ATOM 391 N9 G A 13 30.537 17.394 15.935 1.00 0.20 N ATOM 392 C8 G A 13 30.167 18.603 15.413 1.00 0.20 C ATOM 393 N7 G A 13 29.835 19.505 16.282 1.00 0.21 N ATOM 394 C5 G A 13 29.982 18.855 17.495 1.00 0.21 C ATOM 395 C6 G A 13 29.759 19.338 18.813 1.00 0.24 C ATOM 396 O6 G A 13 29.386 20.447 19.167 1.00 0.29 O ATOM 397 N1 G A 13 30.027 18.367 19.755 1.00 0.25 N ATOM 398 C2 G A 13 30.458 17.090 19.478 1.00 0.24 C ATOM 399 N2 G A 13 30.666 16.321 20.529 1.00 0.29 N ATOM 400 N3 G A 13 30.674 16.620 18.246 1.00 0.22 N ATOM 401 C4 G A 13 30.417 17.557 17.302 1.00 0.20 C ATOM 0 H5' G A 13 33.043 16.820 11.777 1.00 0.20 H new ATOM 0 H5'' G A 13 31.486 16.812 10.973 1.00 0.20 H new ATOM 0 H4' G A 13 31.716 15.097 12.673 1.00 0.20 H new ATOM 0 H3' G A 13 29.527 17.212 13.038 1.00 0.20 H new ATOM 0 H2' G A 13 28.790 15.732 14.970 1.00 0.22 H new ATOM 0 HO2' G A 13 29.749 13.738 15.322 1.00 0.28 H new ATOM 0 H1' G A 13 31.309 15.465 16.008 1.00 0.22 H new ATOM 0 H8 G A 13 30.153 18.793 14.350 1.00 0.20 H new ATOM 0 H1 G A 13 29.895 18.615 20.735 1.00 0.25 H new ATOM 0 H21 G A 13 30.987 15.361 20.403 1.00 0.29 H new ATOM 0 H22 G A 13 30.506 16.686 21.468 1.00 0.29 H new ATOM 413 P C A 14 27.641 15.826 11.859 1.00 0.28 P ATOM 414 OP1 C A 14 27.122 14.929 10.802 1.00 0.36 O ATOM 415 OP2 C A 14 27.507 17.288 11.699 1.00 0.31 O ATOM 416 O5' C A 14 26.966 15.404 13.269 1.00 0.30 O ATOM 417 C5' C A 14 27.126 14.077 13.775 1.00 0.31 C ATOM 418 C4' C A 14 26.766 13.964 15.256 1.00 0.25 C ATOM 419 O4' C A 14 27.554 14.820 16.074 1.00 0.26 O ATOM 420 C3' C A 14 25.330 14.330 15.511 1.00 0.21 C ATOM 421 O3' C A 14 24.428 13.282 15.152 1.00 0.23 O ATOM 422 C2' C A 14 25.364 14.552 17.015 1.00 0.20 C ATOM 423 O2' C A 14 25.116 13.336 17.729 1.00 0.26 O ATOM 424 C1' C A 14 26.790 15.064 17.260 1.00 0.21 C ATOM 425 N1 C A 14 26.771 16.503 17.623 1.00 0.19 N ATOM 426 C2 C A 14 26.608 16.807 18.966 1.00 0.25 C ATOM 427 O2 C A 14 26.503 15.908 19.800 1.00 0.31 O ATOM 428 N3 C A 14 26.566 18.118 19.330 1.00 0.29 N ATOM 429 C4 C A 14 26.680 19.088 18.409 1.00 0.26 C ATOM 430 N4 C A 14 26.621 20.362 18.792 1.00 0.31 N ATOM 431 C5 C A 14 26.868 18.783 17.028 1.00 0.22 C ATOM 432 C6 C A 14 26.905 17.489 16.678 1.00 0.19 C ATOM 0 H5' C A 14 28.159 13.760 13.631 1.00 0.31 H new ATOM 0 H5'' C A 14 26.500 13.395 13.200 1.00 0.31 H new ATOM 0 H4' C A 14 26.954 12.921 15.511 1.00 0.25 H new ATOM 0 H3' C A 14 24.976 15.181 14.929 1.00 0.21 H new ATOM 0 H2' C A 14 24.597 15.244 17.361 1.00 0.20 H new ATOM 0 HO2' C A 14 24.502 13.512 18.472 1.00 0.26 H new ATOM 0 H1' C A 14 27.250 14.540 18.098 1.00 0.21 H new ATOM 0 H41 C A 14 26.707 21.107 18.100 1.00 0.31 H new ATOM 0 H42 C A 14 26.490 20.593 19.777 1.00 0.31 H new ATOM 0 H5 C A 14 26.977 19.565 16.292 1.00 0.22 H new ATOM 0 H6 C A 14 27.042 17.220 15.641 1.00 0.19 H new ATOM 444 P U A 15 22.844 13.530 15.230 1.00 0.24 P ATOM 445 OP1 U A 15 22.154 12.515 14.401 1.00 0.35 O ATOM 446 OP2 U A 15 22.595 14.961 14.977 1.00 0.29 O ATOM 447 O5' U A 15 22.543 13.240 16.783 1.00 0.25 O ATOM 448 C5' U A 15 22.725 11.934 17.326 1.00 0.25 C ATOM 449 C4' U A 15 22.433 11.907 18.814 1.00 0.22 C ATOM 450 O4' U A 15 23.396 12.697 19.518 1.00 0.24 O ATOM 451 C3' U A 15 21.058 12.490 19.119 1.00 0.20 C ATOM 452 O3' U A 15 20.020 11.519 18.983 1.00 0.22 O ATOM 453 C2' U A 15 21.264 12.919 20.554 1.00 0.24 C ATOM 454 O2' U A 15 21.168 11.799 21.439 1.00 0.31 O ATOM 455 C1' U A 15 22.686 13.462 20.484 1.00 0.23 C ATOM 456 N1 U A 15 22.681 14.898 20.117 1.00 0.22 N ATOM 457 C2 U A 15 22.680 15.832 21.150 1.00 0.28 C ATOM 458 O2 U A 15 22.697 15.501 22.337 1.00 0.35 O ATOM 459 N3 U A 15 22.674 17.167 20.765 1.00 0.30 N ATOM 460 C4 U A 15 22.671 17.641 19.466 1.00 0.29 C ATOM 461 O4 U A 15 22.660 18.846 19.233 1.00 0.36 O ATOM 462 C5 U A 15 22.671 16.600 18.464 1.00 0.24 C ATOM 463 C6 U A 15 22.676 15.292 18.814 1.00 0.20 C ATOM 0 H5' U A 15 23.749 11.604 17.149 1.00 0.25 H new ATOM 0 H5'' U A 15 22.070 11.230 16.812 1.00 0.25 H new ATOM 0 H4' U A 15 22.473 10.865 19.130 1.00 0.22 H new ATOM 0 H3' U A 15 20.739 13.288 18.449 1.00 0.20 H new ATOM 0 H2' U A 15 20.531 13.632 20.932 1.00 0.24 H new ATOM 0 HO2' U A 15 21.306 12.099 22.362 1.00 0.31 H new ATOM 0 H1' U A 15 23.169 13.380 21.458 1.00 0.23 H new ATOM 0 H3 U A 15 22.672 17.863 21.511 1.00 0.30 H new ATOM 0 H5 U A 15 22.667 16.870 17.418 1.00 0.24 H new ATOM 0 H6 U A 15 22.676 14.541 18.038 1.00 0.20 H new ATOM 474 P C A 16 18.504 12.003 18.691 1.00 0.24 P ATOM 475 OP1 C A 16 17.657 10.824 18.464 1.00 0.32 O ATOM 476 OP2 C A 16 18.536 13.075 17.680 1.00 0.31 O ATOM 477 O5' C A 16 18.065 12.651 20.097 1.00 0.25 O ATOM 478 C5' C A 16 18.115 11.881 21.287 1.00 0.28 C ATOM 479 C4' C A 16 18.052 12.766 22.523 1.00 0.25 C ATOM 480 O4' C A 16 19.124 13.707 22.552 1.00 0.29 O ATOM 481 C3' C A 16 16.762 13.547 22.564 1.00 0.24 C ATOM 482 O3' C A 16 15.681 12.762 23.076 1.00 0.27 O ATOM 483 C2' C A 16 17.152 14.668 23.494 1.00 0.26 C ATOM 484 O2' C A 16 17.093 14.282 24.871 1.00 0.30 O ATOM 485 C1' C A 16 18.592 14.936 23.055 1.00 0.28 C ATOM 486 N1 C A 16 18.650 16.007 22.033 1.00 0.27 N ATOM 487 C2 C A 16 18.596 17.319 22.485 1.00 0.33 C ATOM 488 O2 C A 16 18.460 17.549 23.689 1.00 0.42 O ATOM 489 N3 C A 16 18.665 18.314 21.573 1.00 0.35 N ATOM 490 C4 C A 16 18.779 18.038 20.264 1.00 0.32 C ATOM 491 N4 C A 16 18.866 19.044 19.400 1.00 0.38 N ATOM 492 C5 C A 16 18.820 16.687 19.790 1.00 0.30 C ATOM 493 C6 C A 16 18.759 15.708 20.706 1.00 0.29 C ATOM 0 H5' C A 16 19.033 11.294 21.304 1.00 0.28 H new ATOM 0 H5'' C A 16 17.285 11.175 21.300 1.00 0.28 H new ATOM 0 H4' C A 16 18.122 12.098 23.381 1.00 0.25 H new ATOM 0 H3' C A 16 16.395 13.878 21.593 1.00 0.24 H new ATOM 0 H2' C A 16 16.490 15.532 23.434 1.00 0.26 H new ATOM 0 HO2' C A 16 16.486 13.519 24.971 1.00 0.30 H new ATOM 0 H1' C A 16 19.186 15.285 23.900 1.00 0.28 H new ATOM 0 H41 C A 16 18.953 18.853 18.402 1.00 0.38 H new ATOM 0 H42 C A 16 18.846 20.007 19.735 1.00 0.38 H new ATOM 0 H5 C A 16 18.897 16.465 18.736 1.00 0.30 H new ATOM 0 H6 C A 16 18.796 14.676 20.391 1.00 0.29 H new ATOM 505 P A A 17 14.200 12.969 22.486 1.00 0.29 P ATOM 506 OP1 A A 17 13.290 12.021 23.146 1.00 0.36 O ATOM 507 OP2 A A 17 14.286 12.988 21.009 1.00 0.39 O ATOM 508 O5' A A 17 13.841 14.466 22.991 1.00 0.30 O ATOM 509 C5' A A 17 13.246 14.708 24.270 1.00 0.34 C ATOM 510 C4' A A 17 13.055 16.205 24.542 1.00 0.29 C ATOM 511 O4' A A 17 14.292 16.925 24.451 1.00 0.31 O ATOM 512 C3' A A 17 12.118 16.831 23.535 1.00 0.30 C ATOM 513 O3' A A 17 10.735 16.565 23.807 1.00 0.37 O ATOM 514 C2' A A 17 12.470 18.287 23.759 1.00 0.32 C ATOM 515 O2' A A 17 11.839 18.810 24.939 1.00 0.37 O ATOM 516 C1' A A 17 13.991 18.214 23.905 1.00 0.30 C ATOM 517 N9 A A 17 14.646 18.379 22.582 1.00 0.32 N ATOM 518 C8 A A 17 15.143 17.418 21.754 1.00 0.35 C ATOM 519 N7 A A 17 15.662 17.857 20.660 1.00 0.40 N ATOM 520 C5 A A 17 15.491 19.237 20.765 1.00 0.39 C ATOM 521 C6 A A 17 15.824 20.298 19.923 1.00 0.46 C ATOM 522 N6 A A 17 16.430 20.145 18.760 1.00 0.53 N ATOM 523 N1 A A 17 15.508 21.529 20.334 1.00 0.50 N ATOM 524 C2 A A 17 14.895 21.709 21.503 1.00 0.48 C ATOM 525 N3 A A 17 14.534 20.782 22.381 1.00 0.42 N ATOM 526 C4 A A 17 14.866 19.559 21.936 1.00 0.36 C ATOM 0 H5' A A 17 13.873 14.275 25.049 1.00 0.34 H new ATOM 0 H5'' A A 17 12.281 14.204 24.322 1.00 0.34 H new ATOM 0 H4' A A 17 12.647 16.272 25.551 1.00 0.29 H new ATOM 0 H3' A A 17 12.232 16.464 22.515 1.00 0.30 H new ATOM 0 H2' A A 17 12.136 18.954 22.964 1.00 0.32 H new ATOM 0 HO2' A A 17 11.086 18.235 25.189 1.00 0.37 H new ATOM 0 HO3' A A 17 10.179 16.996 23.125 1.00 0.37 H new ATOM 0 H1' A A 17 14.359 19.009 24.554 1.00 0.30 H new ATOM 0 H8 A A 17 15.105 16.366 21.997 1.00 0.35 H new ATOM 0 H61 A A 17 16.648 20.960 18.187 1.00 0.53 H new ATOM 0 H62 A A 17 16.680 19.211 18.434 1.00 0.53 H new ATOM 0 H2 A A 17 14.665 22.730 21.767 1.00 0.48 H new TER 539 A A 17