USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 152 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 G O2' : rot -21:sc= 0.0684 USER MOD Single : A 1 G O5' : rot 180:sc= -0.546 USER MOD Single : A 2 G O2' : rot -23:sc= 0.0384 USER MOD Single : A 3 U O2' : rot 180:sc= 0 USER MOD Single : A 4 A O2' : rot 180:sc= -1.01 USER MOD Single : A 5 U O2' : rot -19:sc= 0.0878 USER MOD Single : A 6 C O2' : rot 166:sc= -2.4! USER MOD Single : A 7 A O2' : rot -167:sc= 0.219 USER MOD Single : A 8 C O2' : rot 143:sc= 0.832 USER MOD Single : A 9 G O2' : rot 180:sc= 0 USER MOD Single : A 10 G O2' : rot -23:sc= 0.0918 USER MOD Single : A 11 U O2' : rot -17:sc= 0.0644 USER MOD Single : A 12 A O2' : rot -15:sc= 0.0767 USER MOD Single : A 13 C O2' : rot 180:sc= -0.419 USER MOD Single : A 14 C O2' : rot -22:sc= 0.0826 USER MOD Single : A 14 C O3' : rot 180:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -10.177 -5.818 -1.671 1.00 0.00 O ATOM 2 C5' G A 1 -10.698 -6.830 -2.534 1.00 0.00 C ATOM 3 C4' G A 1 -10.577 -6.413 -3.980 1.00 0.00 C ATOM 4 O4' G A 1 -11.365 -5.208 -4.192 1.00 0.00 O ATOM 5 C3' G A 1 -9.175 -6.030 -4.432 1.00 0.00 C ATOM 6 O3' G A 1 -8.417 -7.175 -4.810 1.00 0.00 O ATOM 7 C2' G A 1 -9.460 -5.094 -5.598 1.00 0.00 C ATOM 8 O2' G A 1 -9.848 -5.817 -6.751 1.00 0.00 O ATOM 9 C1' G A 1 -10.673 -4.333 -5.067 1.00 0.00 C ATOM 10 N9 G A 1 -10.324 -3.128 -4.321 1.00 0.00 N ATOM 11 C8 G A 1 -10.281 -2.989 -2.956 1.00 0.00 C ATOM 12 N7 G A 1 -9.933 -1.793 -2.569 1.00 0.00 N ATOM 13 C5 G A 1 -9.731 -1.096 -3.753 1.00 0.00 C ATOM 14 C6 G A 1 -9.339 0.250 -3.970 1.00 0.00 C ATOM 15 O6 G A 1 -9.083 1.123 -3.133 1.00 0.00 O ATOM 16 N1 G A 1 -9.254 0.545 -5.327 1.00 0.00 N ATOM 17 C2 G A 1 -9.514 -0.340 -6.345 1.00 0.00 C ATOM 18 N2 G A 1 -9.376 0.135 -7.591 1.00 0.00 N ATOM 19 N3 G A 1 -9.881 -1.598 -6.156 1.00 0.00 N ATOM 20 C4 G A 1 -9.969 -1.906 -4.844 1.00 0.00 C ATOM 0 H5' G A 1 -11.744 -7.019 -2.291 1.00 0.00 H new ATOM 0 H5'' G A 1 -10.160 -7.764 -2.374 1.00 0.00 H new ATOM 0 H4' G A 1 -10.903 -7.289 -4.541 1.00 0.00 H new ATOM 0 H3' G A 1 -8.567 -5.565 -3.656 1.00 0.00 H new ATOM 0 H2' G A 1 -8.604 -4.485 -5.888 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.544 -6.745 -6.673 1.00 0.00 H new ATOM 0 HO5' G A 1 -10.266 -6.106 -0.738 1.00 0.00 H new ATOM 0 H1' G A 1 -11.270 -4.016 -5.922 1.00 0.00 H new ATOM 0 H8 G A 1 -10.512 -3.791 -2.270 1.00 0.00 H new ATOM 0 H1 G A 1 -8.977 1.492 -5.586 1.00 0.00 H new ATOM 0 H21 G A 1 -9.554 -0.472 -8.391 1.00 0.00 H new ATOM 0 H22 G A 1 -9.093 1.104 -7.739 1.00 0.00 H new ATOM 32 P G A 2 -6.819 -7.172 -4.624 1.00 0.00 P ATOM 33 OP1 G A 2 -6.338 -8.549 -4.900 1.00 0.00 O ATOM 34 OP2 G A 2 -6.500 -6.530 -3.323 1.00 0.00 O ATOM 35 O5' G A 2 -6.292 -6.223 -5.791 1.00 0.00 O ATOM 36 C5' G A 2 -6.341 -6.647 -7.150 1.00 0.00 C ATOM 37 C4' G A 2 -5.833 -5.551 -8.058 1.00 0.00 C ATOM 38 O4' G A 2 -6.675 -4.377 -7.897 1.00 0.00 O ATOM 39 C3' G A 2 -4.427 -5.046 -7.768 1.00 0.00 C ATOM 40 O3' G A 2 -3.432 -5.862 -8.378 1.00 0.00 O ATOM 41 C2' G A 2 -4.468 -3.641 -8.350 1.00 0.00 C ATOM 42 O2' G A 2 -4.389 -3.667 -9.762 1.00 0.00 O ATOM 43 C1' G A 2 -5.876 -3.207 -7.948 1.00 0.00 C ATOM 44 N9 G A 2 -5.937 -2.558 -6.643 1.00 0.00 N ATOM 45 C8 G A 2 -6.300 -3.134 -5.449 1.00 0.00 C ATOM 46 N7 G A 2 -6.277 -2.300 -4.447 1.00 0.00 N ATOM 47 C5 G A 2 -5.863 -1.101 -5.009 1.00 0.00 C ATOM 48 C6 G A 2 -5.646 0.166 -4.412 1.00 0.00 C ATOM 49 O6 G A 2 -5.780 0.492 -3.226 1.00 0.00 O ATOM 50 N1 G A 2 -5.230 1.108 -5.347 1.00 0.00 N ATOM 51 C2 G A 2 -5.046 0.863 -6.685 1.00 0.00 C ATOM 52 N2 G A 2 -4.644 1.905 -7.427 1.00 0.00 N ATOM 53 N3 G A 2 -5.242 -0.315 -7.255 1.00 0.00 N ATOM 54 C4 G A 2 -5.648 -1.244 -6.364 1.00 0.00 C ATOM 0 H5' G A 2 -7.364 -6.908 -7.420 1.00 0.00 H new ATOM 0 H5'' G A 2 -5.738 -7.546 -7.280 1.00 0.00 H new ATOM 0 H4' G A 2 -5.842 -6.006 -9.049 1.00 0.00 H new ATOM 0 H3' G A 2 -4.161 -5.066 -6.711 1.00 0.00 H new ATOM 0 H2' G A 2 -3.653 -3.003 -8.008 1.00 0.00 H new ATOM 0 HO2' G A 2 -3.966 -4.503 -10.051 1.00 0.00 H new ATOM 0 H1' G A 2 -6.223 -2.478 -8.680 1.00 0.00 H new ATOM 0 H8 G A 2 -6.577 -4.173 -5.351 1.00 0.00 H new ATOM 0 H1 G A 2 -5.048 2.054 -5.012 1.00 0.00 H new ATOM 0 H21 G A 2 -4.489 1.788 -8.428 1.00 0.00 H new ATOM 0 H22 G A 2 -4.493 2.814 -6.990 1.00 0.00 H new ATOM 66 P U A 3 -1.986 -6.004 -7.689 1.00 0.00 P ATOM 67 OP1 U A 3 -1.191 -6.951 -8.512 1.00 0.00 O ATOM 68 OP2 U A 3 -2.179 -6.273 -6.241 1.00 0.00 O ATOM 69 O5' U A 3 -1.350 -4.553 -7.850 1.00 0.00 O ATOM 70 C5' U A 3 -1.024 -4.039 -9.136 1.00 0.00 C ATOM 71 C4' U A 3 -0.559 -2.607 -9.022 1.00 0.00 C ATOM 72 O4' U A 3 -1.621 -1.820 -8.424 1.00 0.00 O ATOM 73 C3' U A 3 0.630 -2.359 -8.106 1.00 0.00 C ATOM 74 O3' U A 3 1.867 -2.619 -8.760 1.00 0.00 O ATOM 75 C2' U A 3 0.463 -0.885 -7.755 1.00 0.00 C ATOM 76 O2' U A 3 0.914 -0.055 -8.808 1.00 0.00 O ATOM 77 C1' U A 3 -1.059 -0.767 -7.663 1.00 0.00 C ATOM 78 N1 U A 3 -1.569 -0.855 -6.288 1.00 0.00 N ATOM 79 C2 U A 3 -1.481 0.278 -5.501 1.00 0.00 C ATOM 80 O2 U A 3 -1.000 1.324 -5.902 1.00 0.00 O ATOM 81 N3 U A 3 -1.979 0.142 -4.230 1.00 0.00 N ATOM 82 C4 U A 3 -2.546 -0.986 -3.677 1.00 0.00 C ATOM 83 O4 U A 3 -2.950 -0.954 -2.514 1.00 0.00 O ATOM 84 C5 U A 3 -2.598 -2.113 -4.554 1.00 0.00 C ATOM 85 C6 U A 3 -2.115 -2.018 -5.797 1.00 0.00 C ATOM 0 H5' U A 3 -1.894 -4.096 -9.790 1.00 0.00 H new ATOM 0 H5'' U A 3 -0.243 -4.648 -9.592 1.00 0.00 H new ATOM 0 H4' U A 3 -0.278 -2.343 -10.042 1.00 0.00 H new ATOM 0 H3' U A 3 0.653 -3.011 -7.233 1.00 0.00 H new ATOM 0 H2' U A 3 1.016 -0.589 -6.863 1.00 0.00 H new ATOM 0 HO2' U A 3 0.794 0.885 -8.558 1.00 0.00 H new ATOM 0 H1' U A 3 -1.339 0.216 -8.040 1.00 0.00 H new ATOM 0 H3 U A 3 -1.924 0.965 -3.629 1.00 0.00 H new ATOM 0 H5 U A 3 -3.028 -3.043 -4.212 1.00 0.00 H new ATOM 0 H6 U A 3 -2.155 -2.886 -6.439 1.00 0.00 H new ATOM 96 P A A 4 3.168 -2.986 -7.889 1.00 0.00 P ATOM 97 OP1 A A 4 4.237 -3.384 -8.840 1.00 0.00 O ATOM 98 OP2 A A 4 2.761 -3.922 -6.811 1.00 0.00 O ATOM 99 O5' A A 4 3.592 -1.605 -7.218 1.00 0.00 O ATOM 100 C5' A A 4 4.157 -0.555 -7.999 1.00 0.00 C ATOM 101 C4' A A 4 4.470 0.636 -7.122 1.00 0.00 C ATOM 102 O4' A A 4 3.242 1.103 -6.502 1.00 0.00 O ATOM 103 C3' A A 4 5.401 0.363 -5.950 1.00 0.00 C ATOM 104 O3' A A 4 6.770 0.438 -6.331 1.00 0.00 O ATOM 105 C2' A A 4 5.021 1.463 -4.968 1.00 0.00 C ATOM 106 O2' A A 4 5.596 2.702 -5.338 1.00 0.00 O ATOM 107 C1' A A 4 3.511 1.545 -5.182 1.00 0.00 C ATOM 108 N9 A A 4 2.744 0.717 -4.252 1.00 0.00 N ATOM 109 C8 A A 4 2.305 -0.571 -4.430 1.00 0.00 C ATOM 110 N7 A A 4 1.627 -1.044 -3.413 1.00 0.00 N ATOM 111 C5 A A 4 1.625 0.001 -2.500 1.00 0.00 C ATOM 112 C6 A A 4 1.072 0.133 -1.214 1.00 0.00 C ATOM 113 N6 A A 4 0.384 -0.833 -0.601 1.00 0.00 N ATOM 114 N1 A A 4 1.253 1.307 -0.571 1.00 0.00 N ATOM 115 C2 A A 4 1.944 2.276 -1.186 1.00 0.00 C ATOM 116 N3 A A 4 2.510 2.271 -2.391 1.00 0.00 N ATOM 117 C4 A A 4 2.311 1.091 -3.003 1.00 0.00 C ATOM 0 H5' A A 4 3.462 -0.263 -8.787 1.00 0.00 H new ATOM 0 H5'' A A 4 5.066 -0.904 -8.489 1.00 0.00 H new ATOM 0 H4' A A 4 4.952 1.343 -7.797 1.00 0.00 H new ATOM 0 H3' A A 4 5.295 -0.640 -5.537 1.00 0.00 H new ATOM 0 H2' A A 4 5.346 1.261 -3.947 1.00 0.00 H new ATOM 0 HO2' A A 4 5.334 3.390 -4.691 1.00 0.00 H new ATOM 0 H1' A A 4 3.207 2.577 -5.010 1.00 0.00 H new ATOM 0 H8 A A 4 2.500 -1.142 -5.326 1.00 0.00 H new ATOM 0 H61 A A 4 0.007 -0.676 0.334 1.00 0.00 H new ATOM 0 H62 A A 4 0.235 -1.728 -1.067 1.00 0.00 H new ATOM 0 H2 A A 4 2.058 3.191 -0.624 1.00 0.00 H new ATOM 129 P U A 5 7.862 -0.460 -5.566 1.00 0.00 P ATOM 130 OP1 U A 5 9.173 -0.213 -6.217 1.00 0.00 O ATOM 131 OP2 U A 5 7.340 -1.847 -5.471 1.00 0.00 O ATOM 132 O5' U A 5 7.913 0.157 -4.098 1.00 0.00 O ATOM 133 C5' U A 5 8.226 1.532 -3.891 1.00 0.00 C ATOM 134 C4' U A 5 8.057 1.890 -2.433 1.00 0.00 C ATOM 135 O4' U A 5 6.637 1.933 -2.124 1.00 0.00 O ATOM 136 C3' U A 5 8.638 0.887 -1.446 1.00 0.00 C ATOM 137 O3' U A 5 10.009 1.150 -1.177 1.00 0.00 O ATOM 138 C2' U A 5 7.764 1.085 -0.214 1.00 0.00 C ATOM 139 O2' U A 5 8.155 2.235 0.511 1.00 0.00 O ATOM 140 C1' U A 5 6.403 1.354 -0.853 1.00 0.00 C ATOM 141 N1 U A 5 5.587 0.147 -1.039 1.00 0.00 N ATOM 142 C2 U A 5 4.642 -0.152 -0.073 1.00 0.00 C ATOM 143 O2 U A 5 4.468 0.539 0.918 1.00 0.00 O ATOM 144 N3 U A 5 3.911 -1.290 -0.309 1.00 0.00 N ATOM 145 C4 U A 5 4.026 -2.140 -1.388 1.00 0.00 C ATOM 146 O4 U A 5 3.294 -3.128 -1.462 1.00 0.00 O ATOM 147 C5 U A 5 5.023 -1.761 -2.340 1.00 0.00 C ATOM 148 C6 U A 5 5.754 -0.660 -2.141 1.00 0.00 C ATOM 0 H5' U A 5 7.577 2.157 -4.504 1.00 0.00 H new ATOM 0 H5'' U A 5 9.250 1.731 -4.206 1.00 0.00 H new ATOM 0 H4' U A 5 8.585 2.837 -2.319 1.00 0.00 H new ATOM 0 H3' U A 5 8.628 -0.139 -1.814 1.00 0.00 H new ATOM 0 H2' U A 5 7.804 0.248 0.483 1.00 0.00 H new ATOM 0 HO2' U A 5 9.067 2.488 0.256 1.00 0.00 H new ATOM 0 H1' U A 5 5.847 2.008 -0.181 1.00 0.00 H new ATOM 0 H3 U A 5 3.208 -1.532 0.389 1.00 0.00 H new ATOM 0 H5 U A 5 5.186 -2.365 -3.221 1.00 0.00 H new ATOM 0 H6 U A 5 6.503 -0.394 -2.872 1.00 0.00 H new ATOM 159 P C A 6 10.852 0.129 -0.266 1.00 0.00 P ATOM 160 OP1 C A 6 12.049 0.859 0.226 1.00 0.00 O ATOM 161 OP2 C A 6 11.025 -1.137 -1.022 1.00 0.00 O ATOM 162 O5' C A 6 9.900 -0.157 0.979 1.00 0.00 O ATOM 163 C5' C A 6 10.374 0.004 2.314 1.00 0.00 C ATOM 164 C4' C A 6 9.340 -0.496 3.298 1.00 0.00 C ATOM 165 O4' C A 6 8.033 -0.460 2.667 1.00 0.00 O ATOM 166 C3' C A 6 9.502 -1.944 3.740 1.00 0.00 C ATOM 167 O3' C A 6 10.411 -2.064 4.828 1.00 0.00 O ATOM 168 C2' C A 6 8.084 -2.333 4.139 1.00 0.00 C ATOM 169 O2' C A 6 7.768 -1.863 5.431 1.00 0.00 O ATOM 170 C1' C A 6 7.250 -1.548 3.126 1.00 0.00 C ATOM 171 N1 C A 6 6.843 -2.350 1.963 1.00 0.00 N ATOM 172 C2 C A 6 5.611 -3.008 1.991 1.00 0.00 C ATOM 173 O2 C A 6 4.893 -2.894 2.996 1.00 0.00 O ATOM 174 N3 C A 6 5.234 -3.751 0.925 1.00 0.00 N ATOM 175 C4 C A 6 6.037 -3.847 -0.137 1.00 0.00 C ATOM 176 N4 C A 6 5.625 -4.589 -1.167 1.00 0.00 N ATOM 177 C5 C A 6 7.298 -3.185 -0.192 1.00 0.00 C ATOM 178 C6 C A 6 7.656 -2.453 0.872 1.00 0.00 C ATOM 0 H5' C A 6 10.592 1.055 2.506 1.00 0.00 H new ATOM 0 H5'' C A 6 11.307 -0.544 2.445 1.00 0.00 H new ATOM 0 H4' C A 6 9.460 0.154 4.165 1.00 0.00 H new ATOM 0 H3' C A 6 9.921 -2.587 2.966 1.00 0.00 H new ATOM 0 H2' C A 6 7.926 -3.411 4.147 1.00 0.00 H new ATOM 0 HO2' C A 6 6.801 -1.926 5.575 1.00 0.00 H new ATOM 0 H1' C A 6 6.338 -1.225 3.628 1.00 0.00 H new ATOM 0 H41 C A 6 6.213 -4.684 -1.995 1.00 0.00 H new ATOM 0 H42 C A 6 4.722 -5.061 -1.126 1.00 0.00 H new ATOM 0 H5 C A 6 7.939 -3.270 -1.057 1.00 0.00 H new ATOM 0 H6 C A 6 8.604 -1.936 0.866 1.00 0.00 H new ATOM 190 P A A 7 11.000 -3.508 5.221 1.00 0.00 P ATOM 191 OP1 A A 7 12.267 -3.281 5.961 1.00 0.00 O ATOM 192 OP2 A A 7 11.004 -4.361 4.006 1.00 0.00 O ATOM 193 O5' A A 7 9.932 -4.102 6.244 1.00 0.00 O ATOM 194 C5' A A 7 9.992 -5.467 6.652 1.00 0.00 C ATOM 195 C4' A A 7 9.406 -5.625 8.037 1.00 0.00 C ATOM 196 O4' A A 7 9.712 -4.430 8.808 1.00 0.00 O ATOM 197 C3' A A 7 7.887 -5.766 8.088 1.00 0.00 C ATOM 198 O3' A A 7 7.477 -6.602 9.166 1.00 0.00 O ATOM 199 C2' A A 7 7.414 -4.329 8.269 1.00 0.00 C ATOM 200 O2' A A 7 6.190 -4.277 8.975 1.00 0.00 O ATOM 201 C1' A A 7 8.515 -3.767 9.162 1.00 0.00 C ATOM 202 N9 A A 7 8.725 -2.327 9.012 1.00 0.00 N ATOM 203 C8 A A 7 8.868 -1.618 7.845 1.00 0.00 C ATOM 204 N7 A A 7 9.047 -0.332 8.027 1.00 0.00 N ATOM 205 C5 A A 7 9.019 -0.184 9.407 1.00 0.00 C ATOM 206 C6 A A 7 9.150 0.940 10.241 1.00 0.00 C ATOM 207 N6 A A 7 9.346 2.180 9.786 1.00 0.00 N ATOM 208 N1 A A 7 9.074 0.745 11.575 1.00 0.00 N ATOM 209 C2 A A 7 8.879 -0.499 12.031 1.00 0.00 C ATOM 210 N3 A A 7 8.741 -1.634 11.348 1.00 0.00 N ATOM 211 C4 A A 7 8.821 -1.404 10.026 1.00 0.00 C ATOM 0 H5' A A 7 11.026 -5.811 6.646 1.00 0.00 H new ATOM 0 H5'' A A 7 9.445 -6.090 5.945 1.00 0.00 H new ATOM 0 H4' A A 7 9.844 -6.544 8.426 1.00 0.00 H new ATOM 0 H3' A A 7 7.468 -6.239 7.200 1.00 0.00 H new ATOM 0 H2' A A 7 7.251 -3.805 7.327 1.00 0.00 H new ATOM 0 HO2' A A 7 5.808 -3.377 8.902 1.00 0.00 H new ATOM 0 H1' A A 7 8.219 -3.929 10.198 1.00 0.00 H new ATOM 0 H8 A A 7 8.836 -2.077 6.868 1.00 0.00 H new ATOM 0 H61 A A 7 9.433 2.956 10.442 1.00 0.00 H new ATOM 0 H62 A A 7 9.408 2.351 8.782 1.00 0.00 H new ATOM 0 H2 A A 7 8.826 -0.596 13.105 1.00 0.00 H new ATOM 223 P C A 8 6.654 -7.952 8.865 1.00 0.00 P ATOM 224 OP1 C A 8 6.141 -8.456 10.165 1.00 0.00 O ATOM 225 OP2 C A 8 7.496 -8.834 8.017 1.00 0.00 O ATOM 226 O5' C A 8 5.409 -7.463 8.000 1.00 0.00 O ATOM 227 C5' C A 8 4.262 -6.895 8.627 1.00 0.00 C ATOM 228 C4' C A 8 3.085 -6.913 7.679 1.00 0.00 C ATOM 229 O4' C A 8 3.479 -6.266 6.436 1.00 0.00 O ATOM 230 C3' C A 8 2.595 -8.300 7.272 1.00 0.00 C ATOM 231 O3' C A 8 1.197 -8.311 7.010 1.00 0.00 O ATOM 232 C2' C A 8 3.399 -8.582 6.011 1.00 0.00 C ATOM 233 O2' C A 8 2.715 -9.469 5.147 1.00 0.00 O ATOM 234 C1' C A 8 3.420 -7.198 5.373 1.00 0.00 C ATOM 235 N1 C A 8 4.569 -6.969 4.485 1.00 0.00 N ATOM 236 C2 C A 8 4.528 -7.481 3.186 1.00 0.00 C ATOM 237 O2 C A 8 3.521 -8.103 2.818 1.00 0.00 O ATOM 238 N3 C A 8 5.585 -7.284 2.365 1.00 0.00 N ATOM 239 C4 C A 8 6.651 -6.609 2.802 1.00 0.00 C ATOM 240 N4 C A 8 7.671 -6.437 1.960 1.00 0.00 N ATOM 241 C5 C A 8 6.717 -6.076 4.122 1.00 0.00 C ATOM 242 C6 C A 8 5.661 -6.273 4.919 1.00 0.00 C ATOM 0 H5' C A 8 4.476 -5.871 8.933 1.00 0.00 H new ATOM 0 H5'' C A 8 4.019 -7.454 9.531 1.00 0.00 H new ATOM 0 H4' C A 8 2.282 -6.415 8.223 1.00 0.00 H new ATOM 0 H3' C A 8 2.735 -9.048 8.052 1.00 0.00 H new ATOM 0 H2' C A 8 4.371 -9.036 6.206 1.00 0.00 H new ATOM 0 HO2' C A 8 2.869 -9.203 4.216 1.00 0.00 H new ATOM 0 H1' C A 8 2.531 -7.095 4.751 1.00 0.00 H new ATOM 0 H41 C A 8 8.501 -5.926 2.262 1.00 0.00 H new ATOM 0 H42 C A 8 7.621 -6.816 1.014 1.00 0.00 H new ATOM 0 H5 C A 8 7.586 -5.534 4.465 1.00 0.00 H new ATOM 0 H6 C A 8 5.672 -5.875 5.923 1.00 0.00 H new ATOM 254 P G A 9 0.153 -8.233 8.229 1.00 0.00 P ATOM 255 OP1 G A 9 0.908 -7.827 9.441 1.00 0.00 O ATOM 256 OP2 G A 9 -0.635 -9.492 8.245 1.00 0.00 O ATOM 257 O5' G A 9 -0.823 -7.042 7.821 1.00 0.00 O ATOM 258 C5' G A 9 -0.379 -5.688 7.843 1.00 0.00 C ATOM 259 C4' G A 9 0.046 -5.307 9.242 1.00 0.00 C ATOM 260 O4' G A 9 1.490 -5.392 9.344 1.00 0.00 O ATOM 261 C3' G A 9 -0.269 -3.879 9.663 1.00 0.00 C ATOM 262 O3' G A 9 -1.615 -3.768 10.115 1.00 0.00 O ATOM 263 C2' G A 9 0.751 -3.627 10.770 1.00 0.00 C ATOM 264 O2' G A 9 0.320 -4.181 11.998 1.00 0.00 O ATOM 265 C1' G A 9 1.954 -4.430 10.272 1.00 0.00 C ATOM 266 N9 G A 9 2.971 -3.610 9.625 1.00 0.00 N ATOM 267 C8 G A 9 3.920 -2.851 10.258 1.00 0.00 C ATOM 268 N7 G A 9 4.703 -2.210 9.434 1.00 0.00 N ATOM 269 C5 G A 9 4.244 -2.574 8.175 1.00 0.00 C ATOM 270 C6 G A 9 4.702 -2.196 6.887 1.00 0.00 C ATOM 271 O6 G A 9 5.629 -1.433 6.593 1.00 0.00 O ATOM 272 N1 G A 9 3.958 -2.803 5.881 1.00 0.00 N ATOM 273 C2 G A 9 2.901 -3.657 6.087 1.00 0.00 C ATOM 274 N2 G A 9 2.305 -4.137 4.986 1.00 0.00 N ATOM 275 N3 G A 9 2.461 -4.014 7.284 1.00 0.00 N ATOM 276 C4 G A 9 3.175 -3.440 8.275 1.00 0.00 C ATOM 0 H5' G A 9 -1.178 -5.029 7.505 1.00 0.00 H new ATOM 0 H5'' G A 9 0.455 -5.559 7.153 1.00 0.00 H new ATOM 0 H4' G A 9 -0.511 -5.996 9.877 1.00 0.00 H new ATOM 0 H3' G A 9 -0.196 -3.148 8.858 1.00 0.00 H new ATOM 0 H2' G A 9 0.934 -2.567 10.949 1.00 0.00 H new ATOM 0 HO2' G A 9 0.992 -4.006 12.689 1.00 0.00 H new ATOM 0 H1' G A 9 2.423 -4.888 11.143 1.00 0.00 H new ATOM 0 H8 G A 9 4.011 -2.789 11.332 1.00 0.00 H new ATOM 0 H1 G A 9 4.217 -2.599 4.916 1.00 0.00 H new ATOM 0 H21 G A 9 1.514 -4.776 5.071 1.00 0.00 H new ATOM 0 H22 G A 9 2.642 -3.863 4.063 1.00 0.00 H new ATOM 288 P G A 10 -2.114 -2.415 10.829 1.00 0.00 P ATOM 289 OP1 G A 10 -0.926 -1.560 11.072 1.00 0.00 O ATOM 290 OP2 G A 10 -2.986 -2.797 11.968 1.00 0.00 O ATOM 291 O5' G A 10 -3.022 -1.705 9.729 1.00 0.00 O ATOM 292 C5' G A 10 -2.459 -1.207 8.517 1.00 0.00 C ATOM 293 C4' G A 10 -1.408 -0.165 8.820 1.00 0.00 C ATOM 294 O4' G A 10 -0.097 -0.759 8.624 1.00 0.00 O ATOM 295 C3' G A 10 -1.426 1.055 7.909 1.00 0.00 C ATOM 296 O3' G A 10 -2.314 2.052 8.405 1.00 0.00 O ATOM 297 C2' G A 10 0.029 1.508 7.927 1.00 0.00 C ATOM 298 O2' G A 10 0.324 2.232 9.106 1.00 0.00 O ATOM 299 C1' G A 10 0.760 0.168 7.984 1.00 0.00 C ATOM 300 N9 G A 10 1.103 -0.366 6.670 1.00 0.00 N ATOM 301 C8 G A 10 0.717 -1.575 6.145 1.00 0.00 C ATOM 302 N7 G A 10 1.174 -1.784 4.941 1.00 0.00 N ATOM 303 C5 G A 10 1.908 -0.642 4.651 1.00 0.00 C ATOM 304 C6 G A 10 2.639 -0.291 3.487 1.00 0.00 C ATOM 305 O6 G A 10 2.786 -0.940 2.445 1.00 0.00 O ATOM 306 N1 G A 10 3.236 0.959 3.615 1.00 0.00 N ATOM 307 C2 G A 10 3.142 1.769 4.721 1.00 0.00 C ATOM 308 N2 G A 10 3.790 2.941 4.654 1.00 0.00 N ATOM 309 N3 G A 10 2.463 1.454 5.813 1.00 0.00 N ATOM 310 C4 G A 10 1.876 0.243 5.710 1.00 0.00 C ATOM 0 H5' G A 10 -3.242 -0.774 7.895 1.00 0.00 H new ATOM 0 H5'' G A 10 -2.017 -2.026 7.949 1.00 0.00 H new ATOM 0 H4' G A 10 -1.621 0.160 9.839 1.00 0.00 H new ATOM 0 H3' G A 10 -1.787 0.849 6.901 1.00 0.00 H new ATOM 0 H2' G A 10 0.290 2.154 7.089 1.00 0.00 H new ATOM 0 HO2' G A 10 -0.502 2.610 9.473 1.00 0.00 H new ATOM 0 H1' G A 10 1.696 0.326 8.519 1.00 0.00 H new ATOM 0 H8 G A 10 0.097 -2.282 6.676 1.00 0.00 H new ATOM 0 H1 G A 10 3.786 1.301 2.827 1.00 0.00 H new ATOM 0 H21 G A 10 3.759 3.587 5.443 1.00 0.00 H new ATOM 0 H22 G A 10 4.314 3.187 3.814 1.00 0.00 H new ATOM 322 P U A 11 -3.332 2.787 7.402 1.00 0.00 P ATOM 323 OP1 U A 11 -4.239 3.626 8.226 1.00 0.00 O ATOM 324 OP2 U A 11 -3.906 1.768 6.487 1.00 0.00 O ATOM 325 O5' U A 11 -2.396 3.754 6.552 1.00 0.00 O ATOM 326 C5' U A 11 -1.797 4.899 7.149 1.00 0.00 C ATOM 327 C4' U A 11 -0.867 5.569 6.168 1.00 0.00 C ATOM 328 O4' U A 11 0.172 4.624 5.794 1.00 0.00 O ATOM 329 C3' U A 11 -1.501 5.983 4.847 1.00 0.00 C ATOM 330 O3' U A 11 -2.101 7.271 4.938 1.00 0.00 O ATOM 331 C2' U A 11 -0.315 5.958 3.894 1.00 0.00 C ATOM 332 O2' U A 11 0.497 7.105 4.056 1.00 0.00 O ATOM 333 C1' U A 11 0.452 4.742 4.411 1.00 0.00 C ATOM 334 N1 U A 11 0.078 3.481 3.753 1.00 0.00 N ATOM 335 C2 U A 11 0.577 3.248 2.485 1.00 0.00 C ATOM 336 O2 U A 11 1.289 4.045 1.899 1.00 0.00 O ATOM 337 N3 U A 11 0.211 2.047 1.929 1.00 0.00 N ATOM 338 C4 U A 11 -0.587 1.078 2.498 1.00 0.00 C ATOM 339 O4 U A 11 -0.824 0.043 1.873 1.00 0.00 O ATOM 340 C5 U A 11 -1.071 1.399 3.804 1.00 0.00 C ATOM 341 C6 U A 11 -0.736 2.560 4.376 1.00 0.00 C ATOM 0 H5' U A 11 -1.246 4.606 8.043 1.00 0.00 H new ATOM 0 H5'' U A 11 -2.570 5.599 7.466 1.00 0.00 H new ATOM 0 H4' U A 11 -0.521 6.464 6.685 1.00 0.00 H new ATOM 0 H3' U A 11 -2.316 5.334 4.526 1.00 0.00 H new ATOM 0 H2' U A 11 -0.604 5.927 2.843 1.00 0.00 H new ATOM 0 HO2' U A 11 -0.005 7.796 4.537 1.00 0.00 H new ATOM 0 H1' U A 11 1.509 4.902 4.199 1.00 0.00 H new ATOM 0 H3 U A 11 0.568 1.851 0.994 1.00 0.00 H new ATOM 0 H5 U A 11 -1.708 0.703 4.329 1.00 0.00 H new ATOM 0 H6 U A 11 -1.117 2.784 5.361 1.00 0.00 H new ATOM 352 P A A 12 -3.379 7.623 4.027 1.00 0.00 P ATOM 353 OP1 A A 12 -3.899 8.938 4.482 1.00 0.00 O ATOM 354 OP2 A A 12 -4.282 6.444 4.010 1.00 0.00 O ATOM 355 O5' A A 12 -2.771 7.812 2.567 1.00 0.00 O ATOM 356 C5' A A 12 -1.941 8.928 2.262 1.00 0.00 C ATOM 357 C4' A A 12 -1.445 8.835 0.839 1.00 0.00 C ATOM 358 O4' A A 12 -0.682 7.608 0.684 1.00 0.00 O ATOM 359 C3' A A 12 -2.528 8.741 -0.226 1.00 0.00 C ATOM 360 O3' A A 12 -3.011 10.026 -0.602 1.00 0.00 O ATOM 361 C2' A A 12 -1.803 8.039 -1.366 1.00 0.00 C ATOM 362 O2' A A 12 -0.964 8.935 -2.068 1.00 0.00 O ATOM 363 C1' A A 12 -0.928 7.052 -0.596 1.00 0.00 C ATOM 364 N9 A A 12 -1.550 5.740 -0.419 1.00 0.00 N ATOM 365 C8 A A 12 -2.228 5.261 0.676 1.00 0.00 C ATOM 366 N7 A A 12 -2.669 4.036 0.529 1.00 0.00 N ATOM 367 C5 A A 12 -2.257 3.684 -0.749 1.00 0.00 C ATOM 368 C6 A A 12 -2.414 2.510 -1.503 1.00 0.00 C ATOM 369 N6 A A 12 -3.054 1.425 -1.060 1.00 0.00 N ATOM 370 N1 A A 12 -1.882 2.486 -2.744 1.00 0.00 N ATOM 371 C2 A A 12 -1.240 3.573 -3.188 1.00 0.00 C ATOM 372 N3 A A 12 -1.028 4.734 -2.574 1.00 0.00 N ATOM 373 C4 A A 12 -1.567 4.725 -1.344 1.00 0.00 C ATOM 0 H5' A A 12 -1.095 8.960 2.948 1.00 0.00 H new ATOM 0 H5'' A A 12 -2.499 9.854 2.401 1.00 0.00 H new ATOM 0 H4' A A 12 -0.883 9.757 0.691 1.00 0.00 H new ATOM 0 H3' A A 12 -3.421 8.211 0.104 1.00 0.00 H new ATOM 0 H2' A A 12 -2.476 7.602 -2.104 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.204 9.857 -1.837 1.00 0.00 H new ATOM 0 H1' A A 12 -0.016 6.895 -1.172 1.00 0.00 H new ATOM 0 H8 A A 12 -2.383 5.840 1.574 1.00 0.00 H new ATOM 0 H61 A A 12 -3.135 0.602 -1.656 1.00 0.00 H new ATOM 0 H62 A A 12 -3.462 1.420 -0.125 1.00 0.00 H new ATOM 0 H2 A A 12 -0.837 3.497 -4.187 1.00 0.00 H new ATOM 385 P C A 13 -4.487 10.172 -1.225 1.00 0.00 P ATOM 386 OP1 C A 13 -4.784 11.624 -1.322 1.00 0.00 O ATOM 387 OP2 C A 13 -5.406 9.285 -0.468 1.00 0.00 O ATOM 388 O5' C A 13 -4.343 9.597 -2.704 1.00 0.00 O ATOM 389 C5' C A 13 -3.624 10.317 -3.701 1.00 0.00 C ATOM 390 C4' C A 13 -3.660 9.568 -5.013 1.00 0.00 C ATOM 391 O4' C A 13 -3.029 8.272 -4.840 1.00 0.00 O ATOM 392 C3' C A 13 -5.048 9.234 -5.541 1.00 0.00 C ATOM 393 O3' C A 13 -5.616 10.319 -6.265 1.00 0.00 O ATOM 394 C2' C A 13 -4.777 8.032 -6.436 1.00 0.00 C ATOM 395 O2' C A 13 -4.234 8.432 -7.679 1.00 0.00 O ATOM 396 C1' C A 13 -3.690 7.308 -5.642 1.00 0.00 C ATOM 397 N1 C A 13 -4.215 6.252 -4.763 1.00 0.00 N ATOM 398 C2 C A 13 -4.383 4.965 -5.282 1.00 0.00 C ATOM 399 O2 C A 13 -4.094 4.755 -6.469 1.00 0.00 O ATOM 400 N3 C A 13 -4.855 3.986 -4.478 1.00 0.00 N ATOM 401 C4 C A 13 -5.155 4.254 -3.205 1.00 0.00 C ATOM 402 N4 C A 13 -5.616 3.256 -2.448 1.00 0.00 N ATOM 403 C5 C A 13 -4.998 5.558 -2.652 1.00 0.00 C ATOM 404 C6 C A 13 -4.532 6.519 -3.461 1.00 0.00 C ATOM 0 H5' C A 13 -2.591 10.459 -3.383 1.00 0.00 H new ATOM 0 H5'' C A 13 -4.058 11.309 -3.828 1.00 0.00 H new ATOM 0 H4' C A 13 -3.165 10.241 -5.713 1.00 0.00 H new ATOM 0 H3' C A 13 -5.774 9.031 -4.753 1.00 0.00 H new ATOM 0 H2' C A 13 -5.671 7.449 -6.658 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.068 7.641 -8.233 1.00 0.00 H new ATOM 0 H1' C A 13 -3.023 6.825 -6.356 1.00 0.00 H new ATOM 0 H41 C A 13 -5.855 3.425 -1.471 1.00 0.00 H new ATOM 0 H42 C A 13 -5.729 2.324 -2.847 1.00 0.00 H new ATOM 0 H5 C A 13 -5.245 5.764 -1.621 1.00 0.00 H new ATOM 0 H6 C A 13 -4.405 7.521 -3.078 1.00 0.00 H new ATOM 416 P C A 14 -7.213 10.487 -6.325 1.00 0.00 P ATOM 417 OP1 C A 14 -7.501 11.725 -7.092 1.00 0.00 O ATOM 418 OP2 C A 14 -7.751 10.334 -4.950 1.00 0.00 O ATOM 419 O5' C A 14 -7.698 9.242 -7.194 1.00 0.00 O ATOM 420 C5' C A 14 -7.333 9.119 -8.565 1.00 0.00 C ATOM 421 C4' C A 14 -7.872 7.827 -9.133 1.00 0.00 C ATOM 422 O4' C A 14 -7.228 6.708 -8.473 1.00 0.00 O ATOM 423 C3' C A 14 -9.355 7.581 -8.906 1.00 0.00 C ATOM 424 O3' C A 14 -10.171 8.253 -9.868 1.00 0.00 O ATOM 425 C2' C A 14 -9.456 6.063 -9.017 1.00 0.00 C ATOM 426 O2' C A 14 -9.476 5.653 -10.371 1.00 0.00 O ATOM 427 C1' C A 14 -8.130 5.619 -8.396 1.00 0.00 C ATOM 428 N1 C A 14 -8.246 5.210 -6.987 1.00 0.00 N ATOM 429 C2 C A 14 -8.494 3.866 -6.692 1.00 0.00 C ATOM 430 O2 C A 14 -8.614 3.060 -7.627 1.00 0.00 O ATOM 431 N3 C A 14 -8.598 3.481 -5.400 1.00 0.00 N ATOM 432 C4 C A 14 -8.463 4.381 -4.423 1.00 0.00 C ATOM 433 N4 C A 14 -8.571 3.957 -3.162 1.00 0.00 N ATOM 434 C5 C A 14 -8.211 5.758 -4.695 1.00 0.00 C ATOM 435 C6 C A 14 -8.112 6.124 -5.979 1.00 0.00 C ATOM 0 H5' C A 14 -6.248 9.144 -8.664 1.00 0.00 H new ATOM 0 H5'' C A 14 -7.724 9.965 -9.131 1.00 0.00 H new ATOM 0 H4' C A 14 -7.682 7.912 -10.203 1.00 0.00 H new ATOM 0 H3' C A 14 -9.715 7.968 -7.953 1.00 0.00 H new ATOM 0 H2' C A 14 -10.353 5.657 -8.550 1.00 0.00 H new ATOM 0 HO2' C A 14 -9.766 6.400 -10.935 1.00 0.00 H new ATOM 0 HO3' C A 14 -11.115 8.065 -9.684 1.00 0.00 H new ATOM 0 H1' C A 14 -7.785 4.747 -8.951 1.00 0.00 H new ATOM 0 H41 C A 14 -8.473 4.618 -2.391 1.00 0.00 H new ATOM 0 H42 C A 14 -8.751 2.972 -2.969 1.00 0.00 H new ATOM 0 H5 C A 14 -8.104 6.477 -3.897 1.00 0.00 H new ATOM 0 H6 C A 14 -7.923 7.159 -6.223 1.00 0.00 H new TER 448 C A 14