USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 170 hydrogens (18 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 -116:sc= 0.422 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -6:sc= -0.894 USER MOD Single : A 3 G O2' : rot -22:sc= 0.339 USER MOD Single : A 4 U O2' : rot -30:sc= 0.28 USER MOD Single : A 5 C O2' : rot -22:sc= 0.292 USER MOD Single : A 6 U O2' : rot 178:sc= -0.765 USER MOD Single : A 7 U O2' : rot -129:sc= -1.46! USER MOD Single : A 8 C O2' : rot 20:sc= 0.21 USER MOD Single : A 9 G O2' : rot -27:sc= 0.301 USER MOD Single : A 10 G O2' : rot -9:sc= -1.43! USER MOD Single : A 11 G O2' : rot -25:sc= 0.306 USER MOD Single : A 12 U O2' : rot -27:sc= 0.284 USER MOD Single : A 13 C O2' : rot -27:sc= 0.264 USER MOD Single : A 14 C O2' : rot -29:sc= 0.129 USER MOD Single : A 14 C O3' : rot 180:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 9.023 -4.989 4.379 1.00 0.00 O ATOM 2 C5' G A 1 10.207 -5.329 3.653 1.00 0.00 C ATOM 3 C4' G A 1 9.882 -5.888 2.273 1.00 0.00 C ATOM 4 O4' G A 1 8.970 -6.976 2.401 1.00 0.00 O ATOM 5 C3' G A 1 9.160 -4.933 1.347 1.00 0.00 C ATOM 6 O3' G A 1 10.153 -4.168 0.652 1.00 0.00 O ATOM 7 C2' G A 1 8.509 -5.877 0.344 1.00 0.00 C ATOM 8 O2' G A 1 9.451 -6.280 -0.655 1.00 0.00 O ATOM 9 C1' G A 1 8.132 -7.066 1.234 1.00 0.00 C ATOM 10 N9 G A 1 6.745 -6.965 1.702 1.00 0.00 N ATOM 11 C8 G A 1 6.300 -6.342 2.830 1.00 0.00 C ATOM 12 N7 G A 1 5.008 -6.389 2.984 1.00 0.00 N ATOM 13 C5 G A 1 4.567 -7.099 1.870 1.00 0.00 C ATOM 14 C6 G A 1 3.251 -7.469 1.485 1.00 0.00 C ATOM 15 O6 G A 1 2.192 -7.235 2.060 1.00 0.00 O ATOM 16 N1 G A 1 3.248 -8.176 0.299 1.00 0.00 N ATOM 17 C2 G A 1 4.364 -8.492 -0.433 1.00 0.00 C ATOM 18 N2 G A 1 4.175 -9.176 -1.551 1.00 0.00 N ATOM 19 N3 G A 1 5.605 -8.152 -0.089 1.00 0.00 N ATOM 20 C4 G A 1 5.629 -7.458 1.075 1.00 0.00 C ATOM 0 H5' G A 1 10.781 -6.064 4.217 1.00 0.00 H new ATOM 0 H5'' G A 1 10.836 -4.445 3.548 1.00 0.00 H new ATOM 0 H4' G A 1 10.858 -6.141 1.859 1.00 0.00 H new ATOM 0 H3' G A 1 8.463 -4.260 1.846 1.00 0.00 H new ATOM 0 H2' G A 1 7.670 -5.439 -0.197 1.00 0.00 H new ATOM 0 HO2' G A 1 9.163 -5.946 -1.530 1.00 0.00 H new ATOM 0 HO5' G A 1 9.269 -4.636 5.259 1.00 0.00 H new ATOM 0 H1' G A 1 8.252 -7.993 0.673 1.00 0.00 H new ATOM 0 H8 G A 1 6.959 -5.854 3.532 1.00 0.00 H new ATOM 0 H1 G A 1 2.346 -8.487 -0.061 1.00 0.00 H new ATOM 0 H21 G A 1 4.973 -9.436 -2.131 1.00 0.00 H new ATOM 0 H22 G A 1 3.232 -9.443 -1.832 1.00 0.00 H new ATOM 33 P G A 2 9.844 -2.654 0.190 1.00 0.00 P ATOM 34 OP1 G A 2 11.111 -2.045 -0.277 1.00 0.00 O ATOM 35 OP2 G A 2 9.058 -1.994 1.256 1.00 0.00 O ATOM 36 O5' G A 2 8.881 -2.864 -1.089 1.00 0.00 O ATOM 37 C5' G A 2 9.428 -3.217 -2.365 1.00 0.00 C ATOM 38 C4' G A 2 8.381 -3.846 -3.282 1.00 0.00 C ATOM 39 O4' G A 2 7.746 -4.936 -2.602 1.00 0.00 O ATOM 40 C3' G A 2 7.220 -2.948 -3.669 1.00 0.00 C ATOM 41 O3' G A 2 7.592 -2.222 -4.848 1.00 0.00 O ATOM 42 C2' G A 2 6.166 -3.965 -4.069 1.00 0.00 C ATOM 43 O2' G A 2 6.456 -4.528 -5.354 1.00 0.00 O ATOM 44 C1' G A 2 6.352 -5.005 -2.968 1.00 0.00 C ATOM 45 N9 G A 2 5.551 -4.683 -1.779 1.00 0.00 N ATOM 46 C8 G A 2 5.917 -3.936 -0.696 1.00 0.00 C ATOM 47 N7 G A 2 4.972 -3.801 0.194 1.00 0.00 N ATOM 48 C5 G A 2 3.905 -4.513 -0.345 1.00 0.00 C ATOM 49 C6 G A 2 2.596 -4.730 0.167 1.00 0.00 C ATOM 50 O6 G A 2 2.108 -4.330 1.221 1.00 0.00 O ATOM 51 N1 G A 2 1.836 -5.503 -0.691 1.00 0.00 N ATOM 52 C2 G A 2 2.270 -6.008 -1.890 1.00 0.00 C ATOM 53 N2 G A 2 1.402 -6.722 -2.592 1.00 0.00 N ATOM 54 N3 G A 2 3.489 -5.817 -2.382 1.00 0.00 N ATOM 55 C4 G A 2 4.252 -5.061 -1.556 1.00 0.00 C ATOM 0 H5' G A 2 10.254 -3.915 -2.225 1.00 0.00 H new ATOM 0 H5'' G A 2 9.840 -2.327 -2.842 1.00 0.00 H new ATOM 0 H4' G A 2 8.949 -4.110 -4.174 1.00 0.00 H new ATOM 0 H3' G A 2 6.913 -2.245 -2.895 1.00 0.00 H new ATOM 0 H2' G A 2 5.156 -3.564 -4.156 1.00 0.00 H new ATOM 0 HO2' G A 2 7.226 -4.067 -5.747 1.00 0.00 H new ATOM 0 H1' G A 2 6.042 -5.988 -3.322 1.00 0.00 H new ATOM 0 H8 G A 2 6.898 -3.497 -0.586 1.00 0.00 H new ATOM 0 H1 G A 2 0.878 -5.714 -0.411 1.00 0.00 H new ATOM 0 H21 G A 2 1.677 -7.119 -3.490 1.00 0.00 H new ATOM 0 H22 G A 2 0.459 -6.874 -2.234 1.00 0.00 H new ATOM 67 P G A 3 6.797 -0.883 -5.269 1.00 0.00 P ATOM 68 OP1 G A 3 7.383 -0.373 -6.531 1.00 0.00 O ATOM 69 OP2 G A 3 6.718 0.002 -4.085 1.00 0.00 O ATOM 70 O5' G A 3 5.314 -1.433 -5.587 1.00 0.00 O ATOM 71 C5' G A 3 5.060 -2.213 -6.762 1.00 0.00 C ATOM 72 C4' G A 3 3.652 -2.807 -6.769 1.00 0.00 C ATOM 73 O4' G A 3 3.456 -3.615 -5.603 1.00 0.00 O ATOM 74 C3' G A 3 2.519 -1.808 -6.676 1.00 0.00 C ATOM 75 O3' G A 3 2.239 -1.336 -8.002 1.00 0.00 O ATOM 76 C2' G A 3 1.364 -2.699 -6.250 1.00 0.00 C ATOM 77 O2' G A 3 0.867 -3.447 -7.366 1.00 0.00 O ATOM 78 C1' G A 3 2.057 -3.627 -5.246 1.00 0.00 C ATOM 79 N9 G A 3 1.906 -3.155 -3.854 1.00 0.00 N ATOM 80 C8 G A 3 2.833 -2.551 -3.043 1.00 0.00 C ATOM 81 N7 G A 3 2.379 -2.257 -1.858 1.00 0.00 N ATOM 82 C5 G A 3 1.060 -2.697 -1.885 1.00 0.00 C ATOM 83 C6 G A 3 0.058 -2.646 -0.878 1.00 0.00 C ATOM 84 O6 G A 3 0.140 -2.193 0.260 1.00 0.00 O ATOM 85 N1 G A 3 -1.133 -3.193 -1.314 1.00 0.00 N ATOM 86 C2 G A 3 -1.343 -3.726 -2.560 1.00 0.00 C ATOM 87 N2 G A 3 -2.551 -4.208 -2.812 1.00 0.00 N ATOM 88 N3 G A 3 -0.417 -3.783 -3.514 1.00 0.00 N ATOM 89 C4 G A 3 0.759 -3.248 -3.105 1.00 0.00 C ATOM 0 H5' G A 3 5.792 -3.018 -6.827 1.00 0.00 H new ATOM 0 H5'' G A 3 5.193 -1.589 -7.646 1.00 0.00 H new ATOM 0 H4' G A 3 3.613 -3.332 -7.723 1.00 0.00 H new ATOM 0 H3' G A 3 2.710 -0.957 -6.022 1.00 0.00 H new ATOM 0 H2' G A 3 0.505 -2.162 -5.848 1.00 0.00 H new ATOM 0 HO2' G A 3 1.115 -2.995 -8.199 1.00 0.00 H new ATOM 0 H1' G A 3 1.615 -4.622 -5.288 1.00 0.00 H new ATOM 0 H8 G A 3 3.844 -2.339 -3.357 1.00 0.00 H new ATOM 0 H1 G A 3 -1.916 -3.201 -0.660 1.00 0.00 H new ATOM 0 H21 G A 3 -2.758 -4.615 -3.724 1.00 0.00 H new ATOM 0 H22 G A 3 -3.274 -4.172 -2.094 1.00 0.00 H new ATOM 101 P U A 4 1.642 0.144 -8.233 1.00 0.00 P ATOM 102 OP1 U A 4 1.205 0.251 -9.644 1.00 0.00 O ATOM 103 OP2 U A 4 2.605 1.123 -7.682 1.00 0.00 O ATOM 104 O5' U A 4 0.332 0.146 -7.293 1.00 0.00 O ATOM 105 C5' U A 4 -0.917 -0.377 -7.766 1.00 0.00 C ATOM 106 C4' U A 4 -1.995 -0.316 -6.687 1.00 0.00 C ATOM 107 O4' U A 4 -1.602 -1.126 -5.570 1.00 0.00 O ATOM 108 C3' U A 4 -2.205 1.053 -6.074 1.00 0.00 C ATOM 109 O3' U A 4 -3.174 1.746 -6.870 1.00 0.00 O ATOM 110 C2' U A 4 -2.854 0.704 -4.746 1.00 0.00 C ATOM 111 O2' U A 4 -4.228 0.344 -4.930 1.00 0.00 O ATOM 112 C1' U A 4 -2.027 -0.514 -4.336 1.00 0.00 C ATOM 113 N1 U A 4 -0.826 -0.140 -3.558 1.00 0.00 N ATOM 114 C2 U A 4 -0.963 -0.009 -2.188 1.00 0.00 C ATOM 115 O2 U A 4 -2.031 -0.186 -1.608 1.00 0.00 O ATOM 116 N3 U A 4 0.176 0.346 -1.501 1.00 0.00 N ATOM 117 C4 U A 4 1.419 0.579 -2.049 1.00 0.00 C ATOM 118 O4 U A 4 2.356 0.899 -1.327 1.00 0.00 O ATOM 119 C5 U A 4 1.486 0.423 -3.483 1.00 0.00 C ATOM 120 C6 U A 4 0.377 0.074 -4.179 1.00 0.00 C ATOM 0 H5' U A 4 -0.781 -1.409 -8.088 1.00 0.00 H new ATOM 0 H5'' U A 4 -1.242 0.189 -8.639 1.00 0.00 H new ATOM 0 H4' U A 4 -2.901 -0.638 -7.200 1.00 0.00 H new ATOM 0 H3' U A 4 -1.303 1.660 -5.994 1.00 0.00 H new ATOM 0 H2' U A 4 -2.863 1.515 -4.018 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.593 0.829 -5.699 1.00 0.00 H new ATOM 0 H1' U A 4 -2.623 -1.173 -3.705 1.00 0.00 H new ATOM 0 H3 U A 4 0.092 0.446 -0.489 1.00 0.00 H new ATOM 0 H5 U A 4 2.420 0.584 -4.001 1.00 0.00 H new ATOM 0 H6 U A 4 0.443 -0.038 -5.251 1.00 0.00 H new ATOM 131 P C A 5 -3.093 3.345 -7.042 1.00 0.00 P ATOM 132 OP1 C A 5 -4.046 3.749 -8.100 1.00 0.00 O ATOM 133 OP2 C A 5 -1.665 3.728 -7.149 1.00 0.00 O ATOM 134 O5' C A 5 -3.648 3.877 -5.626 1.00 0.00 O ATOM 135 C5' C A 5 -5.048 4.111 -5.431 1.00 0.00 C ATOM 136 C4' C A 5 -5.350 4.620 -4.026 1.00 0.00 C ATOM 137 O4' C A 5 -4.962 3.638 -3.058 1.00 0.00 O ATOM 138 C3' C A 5 -4.568 5.844 -3.602 1.00 0.00 C ATOM 139 O3' C A 5 -5.273 7.000 -4.072 1.00 0.00 O ATOM 140 C2' C A 5 -4.723 5.790 -2.091 1.00 0.00 C ATOM 141 O2' C A 5 -6.029 6.226 -1.698 1.00 0.00 O ATOM 142 C1' C A 5 -4.557 4.288 -1.835 1.00 0.00 C ATOM 143 N1 C A 5 -3.158 3.920 -1.534 1.00 0.00 N ATOM 144 C2 C A 5 -2.777 3.893 -0.201 1.00 0.00 C ATOM 145 O2 C A 5 -3.582 4.170 0.683 1.00 0.00 O ATOM 146 N3 C A 5 -1.496 3.566 0.104 1.00 0.00 N ATOM 147 C4 C A 5 -0.616 3.276 -0.857 1.00 0.00 C ATOM 148 N4 C A 5 0.623 2.975 -0.486 1.00 0.00 N ATOM 149 C5 C A 5 -0.997 3.299 -2.235 1.00 0.00 C ATOM 150 C6 C A 5 -2.271 3.624 -2.529 1.00 0.00 C ATOM 0 H5' C A 5 -5.598 3.187 -5.608 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.400 4.837 -6.164 1.00 0.00 H new ATOM 0 H4' C A 5 -6.415 4.847 -4.063 1.00 0.00 H new ATOM 0 H3' C A 5 -3.539 5.879 -3.960 1.00 0.00 H new ATOM 0 H2' C A 5 -4.027 6.425 -1.543 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.413 6.787 -2.404 1.00 0.00 H new ATOM 0 H1' C A 5 -5.151 3.989 -0.971 1.00 0.00 H new ATOM 0 H41 C A 5 1.325 2.747 -1.190 1.00 0.00 H new ATOM 0 H42 C A 5 0.873 2.971 0.503 1.00 0.00 H new ATOM 0 H5 C A 5 -0.287 3.064 -3.014 1.00 0.00 H new ATOM 0 H6 C A 5 -2.593 3.651 -3.559 1.00 0.00 H new ATOM 162 P U A 6 -4.480 8.367 -4.394 1.00 0.00 P ATOM 163 OP1 U A 6 -5.456 9.366 -4.882 1.00 0.00 O ATOM 164 OP2 U A 6 -3.293 8.033 -5.210 1.00 0.00 O ATOM 165 O5' U A 6 -3.968 8.826 -2.934 1.00 0.00 O ATOM 166 C5' U A 6 -4.875 9.419 -1.994 1.00 0.00 C ATOM 167 C4' U A 6 -4.248 9.544 -0.608 1.00 0.00 C ATOM 168 O4' U A 6 -3.855 8.246 -0.140 1.00 0.00 O ATOM 169 C3' U A 6 -2.964 10.345 -0.551 1.00 0.00 C ATOM 170 O3' U A 6 -3.328 11.717 -0.348 1.00 0.00 O ATOM 171 C2' U A 6 -2.329 9.833 0.731 1.00 0.00 C ATOM 172 O2' U A 6 -2.963 10.411 1.878 1.00 0.00 O ATOM 173 C1' U A 6 -2.644 8.336 0.632 1.00 0.00 C ATOM 174 N1 U A 6 -1.584 7.575 -0.065 1.00 0.00 N ATOM 175 C2 U A 6 -0.673 6.883 0.712 1.00 0.00 C ATOM 176 O2 U A 6 -0.712 6.884 1.940 1.00 0.00 O ATOM 177 N3 U A 6 0.292 6.181 0.029 1.00 0.00 N ATOM 178 C4 U A 6 0.428 6.107 -1.341 1.00 0.00 C ATOM 179 O4 U A 6 1.332 5.437 -1.832 1.00 0.00 O ATOM 180 C5 U A 6 -0.557 6.852 -2.087 1.00 0.00 C ATOM 181 C6 U A 6 -1.516 7.551 -1.435 1.00 0.00 C ATOM 0 H5' U A 6 -5.780 8.815 -1.931 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.174 10.405 -2.349 1.00 0.00 H new ATOM 0 H4' U A 6 -5.019 10.040 -0.018 1.00 0.00 H new ATOM 0 H3' U A 6 -2.328 10.260 -1.432 1.00 0.00 H new ATOM 0 H2' U A 6 -1.270 10.068 0.838 1.00 0.00 H new ATOM 0 HO2' U A 6 -2.564 10.042 2.693 1.00 0.00 H new ATOM 0 H1' U A 6 -2.729 7.912 1.633 1.00 0.00 H new ATOM 0 H3 U A 6 0.972 5.666 0.589 1.00 0.00 H new ATOM 0 H5 U A 6 -0.529 6.852 -3.167 1.00 0.00 H new ATOM 0 H6 U A 6 -2.246 8.104 -2.008 1.00 0.00 H new ATOM 192 P U A 7 -2.286 12.905 -0.660 1.00 0.00 P ATOM 193 OP1 U A 7 -3.057 14.118 -1.014 1.00 0.00 O ATOM 194 OP2 U A 7 -1.250 12.390 -1.587 1.00 0.00 O ATOM 195 O5' U A 7 -1.600 13.140 0.778 1.00 0.00 O ATOM 196 C5' U A 7 -0.913 14.359 1.082 1.00 0.00 C ATOM 197 C4' U A 7 -0.796 14.568 2.589 1.00 0.00 C ATOM 198 O4' U A 7 -2.113 14.702 3.151 1.00 0.00 O ATOM 199 C3' U A 7 -0.160 13.400 3.340 1.00 0.00 C ATOM 200 O3' U A 7 0.467 13.932 4.513 1.00 0.00 O ATOM 201 C2' U A 7 -1.359 12.583 3.792 1.00 0.00 C ATOM 202 O2' U A 7 -1.036 11.798 4.942 1.00 0.00 O ATOM 203 C1' U A 7 -2.335 13.696 4.147 1.00 0.00 C ATOM 204 N1 U A 7 -3.745 13.261 4.081 1.00 0.00 N ATOM 205 C2 U A 7 -4.515 13.413 5.219 1.00 0.00 C ATOM 206 O2 U A 7 -4.073 13.888 6.260 1.00 0.00 O ATOM 207 N3 U A 7 -5.823 12.997 5.122 1.00 0.00 N ATOM 208 C4 U A 7 -6.423 12.453 4.008 1.00 0.00 C ATOM 209 O4 U A 7 -7.606 12.124 4.050 1.00 0.00 O ATOM 210 C5 U A 7 -5.560 12.325 2.859 1.00 0.00 C ATOM 211 C6 U A 7 -4.267 12.727 2.932 1.00 0.00 C ATOM 0 H5' U A 7 -1.445 15.200 0.636 1.00 0.00 H new ATOM 0 H5'' U A 7 0.082 14.339 0.637 1.00 0.00 H new ATOM 0 H4' U A 7 -0.167 15.451 2.704 1.00 0.00 H new ATOM 0 H3' U A 7 0.564 12.836 2.751 1.00 0.00 H new ATOM 0 H2' U A 7 -1.730 11.869 3.057 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.297 10.866 4.786 1.00 0.00 H new ATOM 0 H1' U A 7 -2.168 14.036 5.169 1.00 0.00 H new ATOM 0 H3 U A 7 -6.403 13.101 5.954 1.00 0.00 H new ATOM 0 H5 U A 7 -5.944 11.909 1.940 1.00 0.00 H new ATOM 0 H6 U A 7 -3.633 12.624 2.064 1.00 0.00 H new ATOM 222 P C A 8 2.064 13.821 4.701 1.00 0.00 P ATOM 223 OP1 C A 8 2.389 14.143 6.108 1.00 0.00 O ATOM 224 OP2 C A 8 2.709 14.573 3.602 1.00 0.00 O ATOM 225 O5' C A 8 2.334 12.248 4.462 1.00 0.00 O ATOM 226 C5' C A 8 1.869 11.273 5.405 1.00 0.00 C ATOM 227 C4' C A 8 2.273 9.856 5.008 1.00 0.00 C ATOM 228 O4' C A 8 1.619 9.491 3.781 1.00 0.00 O ATOM 229 C3' C A 8 3.769 9.668 4.739 1.00 0.00 C ATOM 230 O3' C A 8 4.099 8.315 5.097 1.00 0.00 O ATOM 231 C2' C A 8 3.867 9.781 3.223 1.00 0.00 C ATOM 232 O2' C A 8 5.015 9.080 2.733 1.00 0.00 O ATOM 233 C1' C A 8 2.580 9.081 2.805 1.00 0.00 C ATOM 234 N1 C A 8 2.097 9.489 1.470 1.00 0.00 N ATOM 235 C2 C A 8 2.140 8.548 0.450 1.00 0.00 C ATOM 236 O2 C A 8 2.589 7.424 0.662 1.00 0.00 O ATOM 237 N3 C A 8 1.670 8.895 -0.779 1.00 0.00 N ATOM 238 C4 C A 8 1.178 10.118 -1.001 1.00 0.00 C ATOM 239 N4 C A 8 0.719 10.390 -2.218 1.00 0.00 N ATOM 240 C5 C A 8 1.132 11.093 0.043 1.00 0.00 C ATOM 241 C6 C A 8 1.599 10.740 1.252 1.00 0.00 C ATOM 0 H5' C A 8 0.783 11.332 5.482 1.00 0.00 H new ATOM 0 H5'' C A 8 2.272 11.502 6.392 1.00 0.00 H new ATOM 0 H4' C A 8 1.987 9.243 5.863 1.00 0.00 H new ATOM 0 H3' C A 8 4.411 10.367 5.275 1.00 0.00 H new ATOM 0 H2' C A 8 3.974 10.798 2.847 1.00 0.00 H new ATOM 0 HO2' C A 8 5.306 8.423 3.399 1.00 0.00 H new ATOM 0 H1' C A 8 2.743 8.005 2.749 1.00 0.00 H new ATOM 0 H41 C A 8 0.336 11.313 -2.424 1.00 0.00 H new ATOM 0 H42 C A 8 0.750 9.676 -2.946 1.00 0.00 H new ATOM 0 H5 C A 8 0.735 12.081 -0.134 1.00 0.00 H new ATOM 0 H6 C A 8 1.580 11.455 2.061 1.00 0.00 H new ATOM 253 P G A 9 5.258 8.003 6.180 1.00 0.00 P ATOM 254 OP1 G A 9 6.148 9.185 6.262 1.00 0.00 O ATOM 255 OP2 G A 9 5.832 6.675 5.869 1.00 0.00 O ATOM 256 O5' G A 9 4.444 7.889 7.568 1.00 0.00 O ATOM 257 C5' G A 9 3.646 8.979 8.046 1.00 0.00 C ATOM 258 C4' G A 9 2.599 8.519 9.056 1.00 0.00 C ATOM 259 O4' G A 9 1.542 9.488 9.100 1.00 0.00 O ATOM 260 C3' G A 9 1.879 7.230 8.701 1.00 0.00 C ATOM 261 O3' G A 9 2.629 6.145 9.265 1.00 0.00 O ATOM 262 C2' G A 9 0.590 7.357 9.494 1.00 0.00 C ATOM 263 O2' G A 9 0.817 7.064 10.878 1.00 0.00 O ATOM 264 C1' G A 9 0.270 8.841 9.302 1.00 0.00 C ATOM 265 N9 G A 9 -0.596 9.093 8.126 1.00 0.00 N ATOM 266 C8 G A 9 -1.703 9.900 8.045 1.00 0.00 C ATOM 267 N7 G A 9 -2.260 9.914 6.867 1.00 0.00 N ATOM 268 C5 G A 9 -1.468 9.057 6.109 1.00 0.00 C ATOM 269 C6 G A 9 -1.582 8.672 4.742 1.00 0.00 C ATOM 270 O6 G A 9 -2.422 9.017 3.916 1.00 0.00 O ATOM 271 N1 G A 9 -0.582 7.791 4.376 1.00 0.00 N ATOM 272 C2 G A 9 0.405 7.334 5.209 1.00 0.00 C ATOM 273 N2 G A 9 1.292 6.498 4.690 1.00 0.00 N ATOM 274 N3 G A 9 0.525 7.683 6.486 1.00 0.00 N ATOM 275 C4 G A 9 -0.444 8.546 6.869 1.00 0.00 C ATOM 0 H5' G A 9 3.150 9.462 7.204 1.00 0.00 H new ATOM 0 H5'' G A 9 4.292 9.726 8.507 1.00 0.00 H new ATOM 0 H4' G A 9 3.160 8.382 9.981 1.00 0.00 H new ATOM 0 H3' G A 9 1.741 7.066 7.632 1.00 0.00 H new ATOM 0 H2' G A 9 -0.203 6.680 9.178 1.00 0.00 H new ATOM 0 HO2' G A 9 1.582 6.457 10.963 1.00 0.00 H new ATOM 0 H1' G A 9 -0.274 9.217 10.168 1.00 0.00 H new ATOM 0 H8 G A 9 -2.078 10.471 8.881 1.00 0.00 H new ATOM 0 H1 G A 9 -0.579 7.456 3.413 1.00 0.00 H new ATOM 0 H21 G A 9 2.046 6.130 5.270 1.00 0.00 H new ATOM 0 H22 G A 9 1.221 6.222 3.711 1.00 0.00 H new ATOM 287 P G A 10 3.331 5.044 8.318 1.00 0.00 P ATOM 288 OP1 G A 10 4.706 4.816 8.816 1.00 0.00 O ATOM 289 OP2 G A 10 3.115 5.431 6.903 1.00 0.00 O ATOM 290 O5' G A 10 2.465 3.709 8.611 1.00 0.00 O ATOM 291 C5' G A 10 1.795 3.523 9.866 1.00 0.00 C ATOM 292 C4' G A 10 0.275 3.587 9.720 1.00 0.00 C ATOM 293 O4' G A 10 -0.040 4.656 8.813 1.00 0.00 O ATOM 294 C3' G A 10 -0.358 2.366 9.072 1.00 0.00 C ATOM 295 O3' G A 10 -0.785 1.482 10.116 1.00 0.00 O ATOM 296 C2' G A 10 -1.608 2.945 8.433 1.00 0.00 C ATOM 297 O2' G A 10 -2.608 3.205 9.424 1.00 0.00 O ATOM 298 C1' G A 10 -1.051 4.246 7.877 1.00 0.00 C ATOM 299 N9 G A 10 -0.380 4.023 6.586 1.00 0.00 N ATOM 300 C8 G A 10 0.891 3.564 6.372 1.00 0.00 C ATOM 301 N7 G A 10 1.200 3.440 5.113 1.00 0.00 N ATOM 302 C5 G A 10 0.049 3.846 4.445 1.00 0.00 C ATOM 303 C6 G A 10 -0.220 3.927 3.053 1.00 0.00 C ATOM 304 O6 G A 10 0.527 3.665 2.112 1.00 0.00 O ATOM 305 N1 G A 10 -1.500 4.381 2.807 1.00 0.00 N ATOM 306 C2 G A 10 -2.415 4.721 3.771 1.00 0.00 C ATOM 307 N2 G A 10 -3.599 5.138 3.350 1.00 0.00 N ATOM 308 N3 G A 10 -2.180 4.654 5.079 1.00 0.00 N ATOM 309 C4 G A 10 -0.930 4.208 5.343 1.00 0.00 C ATOM 0 H5' G A 10 2.124 4.288 10.569 1.00 0.00 H new ATOM 0 H5'' G A 10 2.078 2.559 10.288 1.00 0.00 H new ATOM 0 H4' G A 10 -0.104 3.694 10.736 1.00 0.00 H new ATOM 0 H3' G A 10 0.301 1.835 8.385 1.00 0.00 H new ATOM 0 H2' G A 10 -2.091 2.300 7.698 1.00 0.00 H new ATOM 0 HO2' G A 10 -2.327 2.822 10.281 1.00 0.00 H new ATOM 0 H1' G A 10 -1.850 4.974 7.736 1.00 0.00 H new ATOM 0 H8 G A 10 1.575 3.326 7.173 1.00 0.00 H new ATOM 0 H1 G A 10 -1.788 4.471 1.833 1.00 0.00 H new ATOM 0 H21 G A 10 -4.316 5.403 4.025 1.00 0.00 H new ATOM 0 H22 G A 10 -3.794 5.194 2.350 1.00 0.00 H new ATOM 321 P G A 11 -1.059 -0.079 9.808 1.00 0.00 P ATOM 322 OP1 G A 11 -1.603 -0.704 11.034 1.00 0.00 O ATOM 323 OP2 G A 11 0.149 -0.644 9.168 1.00 0.00 O ATOM 324 O5' G A 11 -2.235 -0.023 8.704 1.00 0.00 O ATOM 325 C5' G A 11 -3.569 0.348 9.073 1.00 0.00 C ATOM 326 C4' G A 11 -4.494 0.450 7.860 1.00 0.00 C ATOM 327 O4' G A 11 -3.974 1.398 6.926 1.00 0.00 O ATOM 328 C3' G A 11 -4.616 -0.808 7.027 1.00 0.00 C ATOM 329 O3' G A 11 -5.624 -1.631 7.630 1.00 0.00 O ATOM 330 C2' G A 11 -5.186 -0.258 5.726 1.00 0.00 C ATOM 331 O2' G A 11 -6.593 -0.026 5.850 1.00 0.00 O ATOM 332 C1' G A 11 -4.429 1.072 5.595 1.00 0.00 C ATOM 333 N9 G A 11 -3.260 0.974 4.695 1.00 0.00 N ATOM 334 C8 G A 11 -1.929 1.071 5.003 1.00 0.00 C ATOM 335 N7 G A 11 -1.141 0.955 3.971 1.00 0.00 N ATOM 336 C5 G A 11 -2.013 0.769 2.903 1.00 0.00 C ATOM 337 C6 G A 11 -1.739 0.581 1.520 1.00 0.00 C ATOM 338 O6 G A 11 -0.650 0.551 0.954 1.00 0.00 O ATOM 339 N1 G A 11 -2.900 0.429 0.786 1.00 0.00 N ATOM 340 C2 G A 11 -4.168 0.451 1.306 1.00 0.00 C ATOM 341 N2 G A 11 -5.170 0.283 0.456 1.00 0.00 N ATOM 342 N3 G A 11 -4.443 0.625 2.598 1.00 0.00 N ATOM 343 C4 G A 11 -3.317 0.776 3.336 1.00 0.00 C ATOM 0 H5' G A 11 -3.548 1.305 9.594 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.969 -0.386 9.772 1.00 0.00 H new ATOM 0 H4' G A 11 -5.456 0.704 8.305 1.00 0.00 H new ATOM 0 H3' G A 11 -3.694 -1.380 6.919 1.00 0.00 H new ATOM 0 H2' G A 11 -5.070 -0.924 4.871 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.960 -0.607 6.548 1.00 0.00 H new ATOM 0 H1' G A 11 -5.086 1.829 5.168 1.00 0.00 H new ATOM 0 H8 G A 11 -1.566 1.229 6.008 1.00 0.00 H new ATOM 0 H1 G A 11 -2.806 0.290 -0.220 1.00 0.00 H new ATOM 0 H21 G A 11 -6.132 0.291 0.794 1.00 0.00 H new ATOM 0 H22 G A 11 -4.979 0.145 -0.536 1.00 0.00 H new ATOM 355 P U A 12 -5.489 -3.236 7.621 1.00 0.00 P ATOM 356 OP1 U A 12 -6.682 -3.807 8.285 1.00 0.00 O ATOM 357 OP2 U A 12 -4.136 -3.591 8.103 1.00 0.00 O ATOM 358 O5' U A 12 -5.567 -3.586 6.049 1.00 0.00 O ATOM 359 C5' U A 12 -6.818 -3.553 5.348 1.00 0.00 C ATOM 360 C4' U A 12 -6.616 -3.652 3.840 1.00 0.00 C ATOM 361 O4' U A 12 -5.824 -2.543 3.394 1.00 0.00 O ATOM 362 C3' U A 12 -5.831 -4.865 3.383 1.00 0.00 C ATOM 363 O3' U A 12 -6.774 -5.918 3.139 1.00 0.00 O ATOM 364 C2' U A 12 -5.285 -4.407 2.041 1.00 0.00 C ATOM 365 O2' U A 12 -6.299 -4.466 1.032 1.00 0.00 O ATOM 366 C1' U A 12 -4.917 -2.955 2.354 1.00 0.00 C ATOM 367 N1 U A 12 -3.532 -2.816 2.854 1.00 0.00 N ATOM 368 C2 U A 12 -2.522 -2.674 1.919 1.00 0.00 C ATOM 369 O2 U A 12 -2.731 -2.678 0.708 1.00 0.00 O ATOM 370 N3 U A 12 -1.248 -2.539 2.425 1.00 0.00 N ATOM 371 C4 U A 12 -0.897 -2.534 3.759 1.00 0.00 C ATOM 372 O4 U A 12 0.279 -2.417 4.081 1.00 0.00 O ATOM 373 C5 U A 12 -2.003 -2.688 4.673 1.00 0.00 C ATOM 374 C6 U A 12 -3.263 -2.822 4.199 1.00 0.00 C ATOM 0 H5' U A 12 -7.345 -2.629 5.586 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.448 -4.376 5.687 1.00 0.00 H new ATOM 0 H4' U A 12 -7.627 -3.693 3.434 1.00 0.00 H new ATOM 0 H3' U A 12 -5.070 -5.208 4.084 1.00 0.00 H new ATOM 0 H2' U A 12 -4.461 -5.011 1.660 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.960 -5.148 1.272 1.00 0.00 H new ATOM 0 H1' U A 12 -4.987 -2.353 1.448 1.00 0.00 H new ATOM 0 H3 U A 12 -0.492 -2.433 1.749 1.00 0.00 H new ATOM 0 H5 U A 12 -1.824 -2.696 5.738 1.00 0.00 H new ATOM 0 H6 U A 12 -4.078 -2.937 4.898 1.00 0.00 H new ATOM 385 P C A 13 -6.462 -7.429 3.607 1.00 0.00 P ATOM 386 OP1 C A 13 -7.750 -8.134 3.786 1.00 0.00 O ATOM 387 OP2 C A 13 -5.484 -7.379 4.717 1.00 0.00 O ATOM 388 O5' C A 13 -5.719 -8.045 2.317 1.00 0.00 O ATOM 389 C5' C A 13 -6.463 -8.422 1.151 1.00 0.00 C ATOM 390 C4' C A 13 -5.556 -8.595 -0.062 1.00 0.00 C ATOM 391 O4' C A 13 -4.888 -7.358 -0.333 1.00 0.00 O ATOM 392 C3' C A 13 -4.426 -9.589 0.126 1.00 0.00 C ATOM 393 O3' C A 13 -4.918 -10.870 -0.297 1.00 0.00 O ATOM 394 C2' C A 13 -3.407 -9.119 -0.898 1.00 0.00 C ATOM 395 O2' C A 13 -3.769 -9.555 -2.213 1.00 0.00 O ATOM 396 C1' C A 13 -3.540 -7.598 -0.777 1.00 0.00 C ATOM 397 N1 C A 13 -2.605 -7.018 0.214 1.00 0.00 N ATOM 398 C2 C A 13 -1.428 -6.464 -0.263 1.00 0.00 C ATOM 399 O2 C A 13 -1.175 -6.478 -1.463 1.00 0.00 O ATOM 400 N3 C A 13 -0.558 -5.912 0.624 1.00 0.00 N ATOM 401 C4 C A 13 -0.833 -5.902 1.932 1.00 0.00 C ATOM 402 N4 C A 13 0.061 -5.347 2.744 1.00 0.00 N ATOM 403 C5 C A 13 -2.044 -6.471 2.434 1.00 0.00 C ATOM 404 C6 C A 13 -2.899 -7.015 1.547 1.00 0.00 C ATOM 0 H5' C A 13 -7.216 -7.663 0.938 1.00 0.00 H new ATOM 0 H5'' C A 13 -6.995 -9.353 1.344 1.00 0.00 H new ATOM 0 H4' C A 13 -6.222 -8.943 -0.851 1.00 0.00 H new ATOM 0 H3' C A 13 -4.038 -9.657 1.142 1.00 0.00 H new ATOM 0 H2' C A 13 -2.398 -9.498 -0.733 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.303 -10.374 -2.151 1.00 0.00 H new ATOM 0 H1' C A 13 -3.307 -7.134 -1.736 1.00 0.00 H new ATOM 0 H41 C A 13 -0.111 -5.319 3.749 1.00 0.00 H new ATOM 0 H42 C A 13 0.919 -4.949 2.362 1.00 0.00 H new ATOM 0 H5 C A 13 -2.266 -6.465 3.491 1.00 0.00 H new ATOM 0 H6 C A 13 -3.824 -7.452 1.893 1.00 0.00 H new ATOM 416 P C A 14 -5.031 -12.099 0.740 1.00 0.00 P ATOM 417 OP1 C A 14 -6.243 -12.879 0.403 1.00 0.00 O ATOM 418 OP2 C A 14 -4.852 -11.569 2.111 1.00 0.00 O ATOM 419 O5' C A 14 -3.736 -12.988 0.377 1.00 0.00 O ATOM 420 C5' C A 14 -3.664 -13.707 -0.863 1.00 0.00 C ATOM 421 C4' C A 14 -2.301 -13.542 -1.525 1.00 0.00 C ATOM 422 O4' C A 14 -2.020 -12.145 -1.680 1.00 0.00 O ATOM 423 C3' C A 14 -1.125 -14.065 -0.713 1.00 0.00 C ATOM 424 O3' C A 14 -0.947 -15.470 -0.915 1.00 0.00 O ATOM 425 C2' C A 14 0.020 -13.276 -1.328 1.00 0.00 C ATOM 426 O2' C A 14 0.376 -13.818 -2.608 1.00 0.00 O ATOM 427 C1' C A 14 -0.619 -11.895 -1.487 1.00 0.00 C ATOM 428 N1 C A 14 -0.452 -11.052 -0.282 1.00 0.00 N ATOM 429 C2 C A 14 0.566 -10.109 -0.288 1.00 0.00 C ATOM 430 O2 C A 14 1.304 -9.993 -1.264 1.00 0.00 O ATOM 431 N3 C A 14 0.733 -9.324 0.808 1.00 0.00 N ATOM 432 C4 C A 14 -0.066 -9.457 1.872 1.00 0.00 C ATOM 433 N4 C A 14 0.158 -8.665 2.915 1.00 0.00 N ATOM 434 C5 C A 14 -1.117 -10.423 1.888 1.00 0.00 C ATOM 435 C6 C A 14 -1.276 -11.195 0.799 1.00 0.00 C ATOM 0 H5' C A 14 -4.443 -13.351 -1.537 1.00 0.00 H new ATOM 0 H5'' C A 14 -3.857 -14.765 -0.683 1.00 0.00 H new ATOM 0 H4' C A 14 -2.382 -14.107 -2.454 1.00 0.00 H new ATOM 0 H3' C A 14 -1.230 -13.946 0.365 1.00 0.00 H new ATOM 0 H2' C A 14 0.938 -13.282 -0.740 1.00 0.00 H new ATOM 0 HO2' C A 14 0.185 -14.779 -2.621 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.185 -15.783 -0.384 1.00 0.00 H new ATOM 0 H1' C A 14 -0.150 -11.360 -2.313 1.00 0.00 H new ATOM 0 H41 C A 14 -0.430 -8.736 3.745 1.00 0.00 H new ATOM 0 H42 C A 14 0.918 -7.986 2.885 1.00 0.00 H new ATOM 0 H5 C A 14 -1.763 -10.530 2.747 1.00 0.00 H new ATOM 0 H6 C A 14 -2.062 -11.935 0.778 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 3.542 -0.323 2.522 1.00 0.00 CO HETATM 450 N1 NCO A 15 1.659 0.123 2.973 1.00 0.00 N HETATM 451 N2 NCO A 15 5.424 -0.769 2.071 1.00 0.00 N HETATM 452 N3 NCO A 15 4.151 0.563 4.193 1.00 0.00 N HETATM 453 N4 NCO A 15 2.932 -1.209 0.853 1.00 0.00 N HETATM 454 N5 NCO A 15 3.714 1.399 1.546 1.00 0.00 N HETATM 455 N6 NCO A 15 3.368 -2.045 3.498 1.00 0.00 N