USER MOD reduce.3.24.130724 H: found=0, std=0, add=164, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 164 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 -22:sc= 0.291 USER MOD Single : A 1 G O5' : rot 2:sc= 0.796 USER MOD Single : A 2 G O2' : rot 2:sc= -3.59! USER MOD Single : A 3 C O2' : rot -154:sc= 0.445 USER MOD Single : A 4 U O2' : rot -5:sc= -7.35! USER MOD Single : A 5 C O2' : rot 180:sc= -4.96! USER MOD Single : A 6 U O2' : rot 129:sc= -0.495 USER MOD Single : A 7 C O2' : rot -164:sc= -0.768! USER MOD Single : A 8 A O2' : rot 18:sc= 0.204 USER MOD Single : A 9 G O2' : rot -13:sc= 0.546 USER MOD Single : A 10 U O2' : rot 158:sc= -0.935 USER MOD Single : A 11 G O2' : rot -17:sc= 0.284 USER MOD Single : A 12 A O2' : rot -123:sc= 1.46 USER MOD Single : A 13 G O2' : rot -18:sc= 0.252 USER MOD Single : A 14 C O2' : rot -9:sc= -5.3! USER MOD Single : A 15 C O2' : rot -17:sc= 0.235 USER MOD Single : A 15 C O3' : rot 180:sc= 0.224 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -8.703 3.563 6.262 1.00 0.00 O ATOM 2 C5' G A 1 -9.980 2.943 6.100 1.00 0.00 C ATOM 3 C4' G A 1 -10.980 3.886 5.438 1.00 0.00 C ATOM 4 O4' G A 1 -10.883 5.211 5.979 1.00 0.00 O ATOM 5 C3' G A 1 -10.692 4.031 3.952 1.00 0.00 C ATOM 6 O3' G A 1 -11.491 3.081 3.243 1.00 0.00 O ATOM 7 C2' G A 1 -11.218 5.426 3.653 1.00 0.00 C ATOM 8 O2' G A 1 -12.637 5.422 3.452 1.00 0.00 O ATOM 9 C1' G A 1 -10.839 6.174 4.912 1.00 0.00 C ATOM 10 N9 G A 1 -9.496 6.773 4.775 1.00 0.00 N ATOM 11 C8 G A 1 -8.403 6.643 5.565 1.00 0.00 C ATOM 12 N7 G A 1 -7.337 7.284 5.222 1.00 0.00 N ATOM 13 C5 G A 1 -7.752 7.930 4.056 1.00 0.00 C ATOM 14 C6 G A 1 -7.033 8.798 3.192 1.00 0.00 C ATOM 15 O6 G A 1 -5.867 9.176 3.288 1.00 0.00 O ATOM 16 N1 G A 1 -7.821 9.228 2.133 1.00 0.00 N ATOM 17 C2 G A 1 -9.137 8.871 1.925 1.00 0.00 C ATOM 18 N2 G A 1 -9.725 9.389 0.848 1.00 0.00 N ATOM 19 N3 G A 1 -9.822 8.054 2.733 1.00 0.00 N ATOM 20 C4 G A 1 -9.075 7.621 3.774 1.00 0.00 C ATOM 0 H5' G A 1 -10.361 2.632 7.073 1.00 0.00 H new ATOM 0 H5'' G A 1 -9.874 2.042 5.496 1.00 0.00 H new ATOM 0 H4' G A 1 -11.964 3.454 5.617 1.00 0.00 H new ATOM 0 H3' G A 1 -9.647 3.881 3.680 1.00 0.00 H new ATOM 0 H2' G A 1 -10.814 5.863 2.740 1.00 0.00 H new ATOM 0 HO2' G A 1 -12.929 4.521 3.201 1.00 0.00 H new ATOM 0 HO5' G A 1 -8.743 4.486 5.934 1.00 0.00 H new ATOM 0 H1' G A 1 -11.523 6.999 5.111 1.00 0.00 H new ATOM 0 H8 G A 1 -8.423 6.025 6.450 1.00 0.00 H new ATOM 0 H1 G A 1 -7.393 9.858 1.455 1.00 0.00 H new ATOM 0 H21 G A 1 -10.698 9.163 0.639 1.00 0.00 H new ATOM 0 H22 G A 1 -9.203 10.012 0.232 1.00 0.00 H new ATOM 33 P G A 2 -10.802 1.996 2.275 1.00 0.00 P ATOM 34 OP1 G A 2 -11.586 0.742 2.353 1.00 0.00 O ATOM 35 OP2 G A 2 -9.349 1.977 2.559 1.00 0.00 O ATOM 36 O5' G A 2 -11.022 2.637 0.816 1.00 0.00 O ATOM 37 C5' G A 2 -12.340 2.870 0.317 1.00 0.00 C ATOM 38 C4' G A 2 -12.326 3.808 -0.884 1.00 0.00 C ATOM 39 O4' G A 2 -11.925 5.131 -0.504 1.00 0.00 O ATOM 40 C3' G A 2 -11.325 3.327 -1.931 1.00 0.00 C ATOM 41 O3' G A 2 -12.062 2.750 -3.013 1.00 0.00 O ATOM 42 C2' G A 2 -10.668 4.602 -2.432 1.00 0.00 C ATOM 43 O2' G A 2 -11.368 5.136 -3.562 1.00 0.00 O ATOM 44 C1' G A 2 -10.762 5.531 -1.236 1.00 0.00 C ATOM 45 N9 G A 2 -9.553 5.472 -0.386 1.00 0.00 N ATOM 46 C8 G A 2 -9.385 4.955 0.861 1.00 0.00 C ATOM 47 N7 G A 2 -8.226 5.088 1.413 1.00 0.00 N ATOM 48 C5 G A 2 -7.515 5.777 0.425 1.00 0.00 C ATOM 49 C6 G A 2 -6.167 6.228 0.422 1.00 0.00 C ATOM 50 O6 G A 2 -5.320 6.107 1.305 1.00 0.00 O ATOM 51 N1 G A 2 -5.850 6.878 -0.764 1.00 0.00 N ATOM 52 C2 G A 2 -6.718 7.072 -1.820 1.00 0.00 C ATOM 53 N2 G A 2 -6.226 7.718 -2.876 1.00 0.00 N ATOM 54 N3 G A 2 -7.986 6.650 -1.825 1.00 0.00 N ATOM 55 C4 G A 2 -8.320 6.015 -0.680 1.00 0.00 C ATOM 0 H5' G A 2 -12.958 3.297 1.106 1.00 0.00 H new ATOM 0 H5'' G A 2 -12.796 1.921 0.033 1.00 0.00 H new ATOM 0 H4' G A 2 -13.339 3.817 -1.286 1.00 0.00 H new ATOM 0 H3' G A 2 -10.611 2.600 -1.544 1.00 0.00 H new ATOM 0 H2' G A 2 -9.644 4.450 -2.775 1.00 0.00 H new ATOM 0 HO2' G A 2 -12.145 4.573 -3.762 1.00 0.00 H new ATOM 0 H1' G A 2 -10.836 6.567 -1.567 1.00 0.00 H new ATOM 0 H8 G A 2 -10.193 4.451 1.371 1.00 0.00 H new ATOM 0 H1 G A 2 -4.902 7.240 -0.862 1.00 0.00 H new ATOM 0 H21 G A 2 -6.818 7.892 -3.688 1.00 0.00 H new ATOM 0 H22 G A 2 -5.258 8.038 -2.872 1.00 0.00 H new ATOM 67 P C A 3 -11.504 1.445 -3.772 1.00 0.00 P ATOM 68 OP1 C A 3 -12.492 1.046 -4.798 1.00 0.00 O ATOM 69 OP2 C A 3 -11.064 0.469 -2.750 1.00 0.00 O ATOM 70 O5' C A 3 -10.198 2.012 -4.524 1.00 0.00 O ATOM 71 C5' C A 3 -10.294 3.154 -5.380 1.00 0.00 C ATOM 72 C4' C A 3 -8.937 3.532 -5.965 1.00 0.00 C ATOM 73 O4' C A 3 -8.189 4.352 -5.074 1.00 0.00 O ATOM 74 C3' C A 3 -8.076 2.306 -6.186 1.00 0.00 C ATOM 75 O3' C A 3 -8.330 1.809 -7.501 1.00 0.00 O ATOM 76 C2' C A 3 -6.661 2.864 -6.148 1.00 0.00 C ATOM 77 O2' C A 3 -6.205 3.220 -7.459 1.00 0.00 O ATOM 78 C1' C A 3 -6.787 4.097 -5.248 1.00 0.00 C ATOM 79 N1 C A 3 -6.131 3.864 -3.950 1.00 0.00 N ATOM 80 C2 C A 3 -4.770 4.108 -3.865 1.00 0.00 C ATOM 81 O2 C A 3 -4.155 4.515 -4.849 1.00 0.00 O ATOM 82 N3 C A 3 -4.149 3.887 -2.675 1.00 0.00 N ATOM 83 C4 C A 3 -4.836 3.445 -1.613 1.00 0.00 C ATOM 84 N4 C A 3 -4.196 3.237 -0.461 1.00 0.00 N ATOM 85 C5 C A 3 -6.243 3.191 -1.701 1.00 0.00 C ATOM 86 C6 C A 3 -6.844 3.414 -2.882 1.00 0.00 C ATOM 0 H5' C A 3 -10.697 3.997 -4.819 1.00 0.00 H new ATOM 0 H5'' C A 3 -10.994 2.946 -6.189 1.00 0.00 H new ATOM 0 H4' C A 3 -9.158 4.052 -6.897 1.00 0.00 H new ATOM 0 H3' C A 3 -8.253 1.508 -5.464 1.00 0.00 H new ATOM 0 H2' C A 3 -5.932 2.143 -5.778 1.00 0.00 H new ATOM 0 HO2' C A 3 -5.227 3.171 -7.490 1.00 0.00 H new ATOM 0 H1' C A 3 -6.295 4.957 -5.702 1.00 0.00 H new ATOM 0 H41 C A 3 -4.709 2.901 0.354 1.00 0.00 H new ATOM 0 H42 C A 3 -3.194 3.414 -0.395 1.00 0.00 H new ATOM 0 H5 C A 3 -6.801 2.833 -0.848 1.00 0.00 H new ATOM 0 H6 C A 3 -7.904 3.234 -2.985 1.00 0.00 H new ATOM 98 P U A 4 -8.056 0.262 -7.857 1.00 0.00 P ATOM 99 OP1 U A 4 -8.763 -0.054 -9.119 1.00 0.00 O ATOM 100 OP2 U A 4 -8.314 -0.546 -6.644 1.00 0.00 O ATOM 101 O5' U A 4 -6.473 0.241 -8.148 1.00 0.00 O ATOM 102 C5' U A 4 -5.941 0.871 -9.316 1.00 0.00 C ATOM 103 C4' U A 4 -4.507 1.343 -9.099 1.00 0.00 C ATOM 104 O4' U A 4 -4.324 1.888 -7.792 1.00 0.00 O ATOM 105 C3' U A 4 -3.525 0.189 -9.177 1.00 0.00 C ATOM 106 O3' U A 4 -3.125 0.016 -10.539 1.00 0.00 O ATOM 107 C2' U A 4 -2.335 0.712 -8.392 1.00 0.00 C ATOM 108 O2' U A 4 -1.445 1.460 -9.227 1.00 0.00 O ATOM 109 C1' U A 4 -2.990 1.603 -7.335 1.00 0.00 C ATOM 110 N1 U A 4 -3.003 0.926 -6.025 1.00 0.00 N ATOM 111 C2 U A 4 -1.899 1.101 -5.214 1.00 0.00 C ATOM 112 O2 U A 4 -0.950 1.808 -5.547 1.00 0.00 O ATOM 113 N3 U A 4 -1.921 0.434 -4.005 1.00 0.00 N ATOM 114 C4 U A 4 -2.938 -0.383 -3.540 1.00 0.00 C ATOM 115 O4 U A 4 -2.852 -0.930 -2.444 1.00 0.00 O ATOM 116 C5 U A 4 -4.054 -0.507 -4.450 1.00 0.00 C ATOM 117 C6 U A 4 -4.055 0.138 -5.643 1.00 0.00 C ATOM 0 H5' U A 4 -6.567 1.721 -9.588 1.00 0.00 H new ATOM 0 H5'' U A 4 -5.972 0.172 -10.152 1.00 0.00 H new ATOM 0 H4' U A 4 -4.329 2.085 -9.877 1.00 0.00 H new ATOM 0 H3' U A 4 -3.925 -0.756 -8.808 1.00 0.00 H new ATOM 0 H2' U A 4 -1.720 -0.081 -7.965 1.00 0.00 H new ATOM 0 HO2' U A 4 -1.754 1.417 -10.156 1.00 0.00 H new ATOM 0 H1' U A 4 -2.432 2.530 -7.203 1.00 0.00 H new ATOM 0 H3 U A 4 -1.111 0.555 -3.397 1.00 0.00 H new ATOM 0 H5 U A 4 -4.899 -1.122 -4.176 1.00 0.00 H new ATOM 0 H6 U A 4 -4.902 0.028 -6.304 1.00 0.00 H new ATOM 128 P C A 5 -2.216 -1.243 -10.964 1.00 0.00 P ATOM 129 OP1 C A 5 -1.665 -0.984 -12.312 1.00 0.00 O ATOM 130 OP2 C A 5 -2.988 -2.479 -10.707 1.00 0.00 O ATOM 131 O5' C A 5 -1.005 -1.179 -9.903 1.00 0.00 O ATOM 132 C5' C A 5 0.077 -0.263 -10.092 1.00 0.00 C ATOM 133 C4' C A 5 1.253 -0.579 -9.171 1.00 0.00 C ATOM 134 O4' C A 5 0.939 -0.318 -7.807 1.00 0.00 O ATOM 135 C3' C A 5 1.598 -2.053 -9.203 1.00 0.00 C ATOM 136 O3' C A 5 2.516 -2.286 -10.274 1.00 0.00 O ATOM 137 C2' C A 5 2.334 -2.256 -7.886 1.00 0.00 C ATOM 138 O2' C A 5 3.743 -2.051 -8.038 1.00 0.00 O ATOM 139 C1' C A 5 1.712 -1.196 -6.971 1.00 0.00 C ATOM 140 N1 C A 5 0.874 -1.835 -5.940 1.00 0.00 N ATOM 141 C2 C A 5 1.426 -1.981 -4.678 1.00 0.00 C ATOM 142 O2 C A 5 2.556 -1.558 -4.450 1.00 0.00 O ATOM 143 N3 C A 5 0.687 -2.598 -3.717 1.00 0.00 N ATOM 144 C4 C A 5 -0.545 -3.052 -3.982 1.00 0.00 C ATOM 145 N4 C A 5 -1.237 -3.656 -3.015 1.00 0.00 N ATOM 146 C5 C A 5 -1.121 -2.901 -5.284 1.00 0.00 C ATOM 147 C6 C A 5 -0.381 -2.289 -6.229 1.00 0.00 C ATOM 0 H5' C A 5 -0.270 0.753 -9.904 1.00 0.00 H new ATOM 0 H5'' C A 5 0.408 -0.300 -11.130 1.00 0.00 H new ATOM 0 H4' C A 5 2.071 0.046 -9.529 1.00 0.00 H new ATOM 0 H3' C A 5 0.734 -2.705 -9.335 1.00 0.00 H new ATOM 0 H2' C A 5 2.235 -3.269 -7.495 1.00 0.00 H new ATOM 0 HO2' C A 5 4.188 -2.187 -7.176 1.00 0.00 H new ATOM 0 H1' C A 5 2.481 -0.631 -6.445 1.00 0.00 H new ATOM 0 H41 C A 5 -2.176 -4.007 -3.203 1.00 0.00 H new ATOM 0 H42 C A 5 -0.827 -3.767 -2.088 1.00 0.00 H new ATOM 0 H5 C A 5 -2.114 -3.265 -5.501 1.00 0.00 H new ATOM 0 H6 C A 5 -0.783 -2.157 -7.222 1.00 0.00 H new ATOM 159 P U A 6 2.677 -3.763 -10.897 1.00 0.00 P ATOM 160 OP1 U A 6 3.723 -3.713 -11.943 1.00 0.00 O ATOM 161 OP2 U A 6 1.328 -4.275 -11.226 1.00 0.00 O ATOM 162 O5' U A 6 3.248 -4.610 -9.653 1.00 0.00 O ATOM 163 C5' U A 6 4.530 -4.306 -9.102 1.00 0.00 C ATOM 164 C4' U A 6 4.680 -4.843 -7.680 1.00 0.00 C ATOM 165 O4' U A 6 3.481 -4.695 -6.928 1.00 0.00 O ATOM 166 C3' U A 6 4.948 -6.335 -7.679 1.00 0.00 C ATOM 167 O3' U A 6 6.359 -6.540 -7.774 1.00 0.00 O ATOM 168 C2' U A 6 4.490 -6.765 -6.292 1.00 0.00 C ATOM 169 O2' U A 6 5.574 -6.736 -5.356 1.00 0.00 O ATOM 170 C1' U A 6 3.415 -5.732 -5.935 1.00 0.00 C ATOM 171 N1 U A 6 2.080 -6.357 -5.906 1.00 0.00 N ATOM 172 C2 U A 6 1.714 -7.018 -4.749 1.00 0.00 C ATOM 173 O2 U A 6 2.456 -7.085 -3.772 1.00 0.00 O ATOM 174 N3 U A 6 0.460 -7.600 -4.753 1.00 0.00 N ATOM 175 C4 U A 6 -0.448 -7.579 -5.798 1.00 0.00 C ATOM 176 O4 U A 6 -1.539 -8.134 -5.694 1.00 0.00 O ATOM 177 C5 U A 6 0.018 -6.867 -6.967 1.00 0.00 C ATOM 178 C6 U A 6 1.244 -6.288 -6.987 1.00 0.00 C ATOM 0 H5' U A 6 4.677 -3.226 -9.100 1.00 0.00 H new ATOM 0 H5'' U A 6 5.308 -4.733 -9.735 1.00 0.00 H new ATOM 0 H4' U A 6 5.503 -4.274 -7.247 1.00 0.00 H new ATOM 0 H3' U A 6 4.458 -6.872 -8.491 1.00 0.00 H new ATOM 0 H2' U A 6 4.116 -7.789 -6.266 1.00 0.00 H new ATOM 0 HO2' U A 6 5.310 -6.221 -4.565 1.00 0.00 H new ATOM 0 H1' U A 6 3.589 -5.319 -4.942 1.00 0.00 H new ATOM 0 H3 U A 6 0.177 -8.092 -3.905 1.00 0.00 H new ATOM 0 H5 U A 6 -0.619 -6.795 -7.836 1.00 0.00 H new ATOM 0 H6 U A 6 1.567 -5.762 -7.873 1.00 0.00 H new ATOM 189 P C A 7 7.001 -7.191 -9.100 1.00 0.00 P ATOM 190 OP1 C A 7 7.526 -6.096 -9.946 1.00 0.00 O ATOM 191 OP2 C A 7 6.030 -8.156 -9.660 1.00 0.00 O ATOM 192 O5' C A 7 8.250 -8.018 -8.513 1.00 0.00 O ATOM 193 C5' C A 7 9.466 -7.351 -8.168 1.00 0.00 C ATOM 194 C4' C A 7 9.826 -7.561 -6.701 1.00 0.00 C ATOM 195 O4' C A 7 10.409 -6.382 -6.142 1.00 0.00 O ATOM 196 C3' C A 7 8.576 -7.872 -5.872 1.00 0.00 C ATOM 197 O3' C A 7 8.803 -9.093 -5.162 1.00 0.00 O ATOM 198 C2' C A 7 8.484 -6.740 -4.850 1.00 0.00 C ATOM 199 O2' C A 7 8.096 -7.228 -3.561 1.00 0.00 O ATOM 200 C1' C A 7 9.897 -6.183 -4.826 1.00 0.00 C ATOM 201 N1 C A 7 9.900 -4.752 -4.463 1.00 0.00 N ATOM 202 C2 C A 7 9.268 -4.394 -3.282 1.00 0.00 C ATOM 203 O2 C A 7 8.730 -5.254 -2.588 1.00 0.00 O ATOM 204 N3 C A 7 9.262 -3.081 -2.926 1.00 0.00 N ATOM 205 C4 C A 7 9.853 -2.156 -3.695 1.00 0.00 C ATOM 206 N4 C A 7 9.831 -0.878 -3.316 1.00 0.00 N ATOM 207 C5 C A 7 10.506 -2.521 -4.913 1.00 0.00 C ATOM 208 C6 C A 7 10.506 -3.823 -5.259 1.00 0.00 C ATOM 0 H5' C A 7 9.366 -6.284 -8.369 1.00 0.00 H new ATOM 0 H5'' C A 7 10.275 -7.720 -8.798 1.00 0.00 H new ATOM 0 H4' C A 7 10.531 -8.392 -6.669 1.00 0.00 H new ATOM 0 H3' C A 7 7.679 -7.961 -6.484 1.00 0.00 H new ATOM 0 H2' C A 7 7.733 -5.993 -5.108 1.00 0.00 H new ATOM 0 HO2' C A 7 7.804 -6.478 -3.002 1.00 0.00 H new ATOM 0 H1' C A 7 10.512 -6.683 -4.078 1.00 0.00 H new ATOM 0 H41 C A 7 10.278 -0.167 -3.895 1.00 0.00 H new ATOM 0 H42 C A 7 9.367 -0.612 -2.448 1.00 0.00 H new ATOM 0 H5 C A 7 10.983 -1.778 -5.535 1.00 0.00 H new ATOM 0 H6 C A 7 10.989 -4.134 -6.173 1.00 0.00 H new ATOM 220 P A A 8 7.953 -10.414 -5.519 1.00 0.00 P ATOM 221 OP1 A A 8 8.892 -11.454 -5.994 1.00 0.00 O ATOM 222 OP2 A A 8 6.808 -10.011 -6.366 1.00 0.00 O ATOM 223 O5' A A 8 7.381 -10.868 -4.082 1.00 0.00 O ATOM 224 C5' A A 8 6.620 -9.959 -3.282 1.00 0.00 C ATOM 225 C4' A A 8 5.435 -10.652 -2.614 1.00 0.00 C ATOM 226 O4' A A 8 4.219 -10.399 -3.327 1.00 0.00 O ATOM 227 C3' A A 8 5.614 -12.164 -2.612 1.00 0.00 C ATOM 228 O3' A A 8 4.906 -12.699 -1.489 1.00 0.00 O ATOM 229 C2' A A 8 4.898 -12.602 -3.877 1.00 0.00 C ATOM 230 O2' A A 8 4.411 -13.944 -3.765 1.00 0.00 O ATOM 231 C1' A A 8 3.755 -11.599 -3.965 1.00 0.00 C ATOM 232 N9 A A 8 3.382 -11.340 -5.370 1.00 0.00 N ATOM 233 C8 A A 8 4.040 -10.638 -6.325 1.00 0.00 C ATOM 234 N7 A A 8 3.483 -10.545 -7.487 1.00 0.00 N ATOM 235 C5 A A 8 2.306 -11.276 -7.295 1.00 0.00 C ATOM 236 C6 A A 8 1.234 -11.584 -8.138 1.00 0.00 C ATOM 237 N6 A A 8 1.164 -11.179 -9.407 1.00 0.00 N ATOM 238 N1 A A 8 0.234 -12.325 -7.625 1.00 0.00 N ATOM 239 C2 A A 8 0.285 -12.740 -6.358 1.00 0.00 C ATOM 240 N3 A A 8 1.248 -12.506 -5.473 1.00 0.00 N ATOM 241 C4 A A 8 2.237 -11.763 -6.010 1.00 0.00 C ATOM 0 H5' A A 8 6.259 -9.140 -3.905 1.00 0.00 H new ATOM 0 H5'' A A 8 7.263 -9.520 -2.519 1.00 0.00 H new ATOM 0 H4' A A 8 5.386 -10.258 -1.599 1.00 0.00 H new ATOM 0 H3' A A 8 6.656 -12.482 -2.564 1.00 0.00 H new ATOM 0 H2' A A 8 5.538 -12.612 -4.759 1.00 0.00 H new ATOM 0 HO2' A A 8 4.386 -14.205 -2.821 1.00 0.00 H new ATOM 0 H1' A A 8 2.860 -11.983 -3.475 1.00 0.00 H new ATOM 0 H8 A A 8 4.994 -10.174 -6.122 1.00 0.00 H new ATOM 0 H61 A A 8 0.358 -11.432 -9.979 1.00 0.00 H new ATOM 0 H62 A A 8 1.916 -10.616 -9.805 1.00 0.00 H new ATOM 0 H2 A A 8 -0.550 -13.332 -6.013 1.00 0.00 H new ATOM 253 P G A 9 5.446 -12.470 0.010 1.00 0.00 P ATOM 254 OP1 G A 9 6.906 -12.708 0.018 1.00 0.00 O ATOM 255 OP2 G A 9 4.570 -13.223 0.937 1.00 0.00 O ATOM 256 O5' G A 9 5.190 -10.896 0.242 1.00 0.00 O ATOM 257 C5' G A 9 4.360 -10.441 1.315 1.00 0.00 C ATOM 258 C4' G A 9 5.195 -10.063 2.544 1.00 0.00 C ATOM 259 O4' G A 9 6.571 -9.930 2.178 1.00 0.00 O ATOM 260 C3' G A 9 4.758 -8.724 3.155 1.00 0.00 C ATOM 261 O3' G A 9 4.222 -8.994 4.454 1.00 0.00 O ATOM 262 C2' G A 9 6.058 -7.940 3.368 1.00 0.00 C ATOM 263 O2' G A 9 6.496 -8.029 4.728 1.00 0.00 O ATOM 264 C1' G A 9 7.049 -8.606 2.432 1.00 0.00 C ATOM 265 N9 G A 9 7.194 -7.828 1.188 1.00 0.00 N ATOM 266 C8 G A 9 8.235 -7.070 0.775 1.00 0.00 C ATOM 267 N7 G A 9 8.129 -6.471 -0.362 1.00 0.00 N ATOM 268 C5 G A 9 6.856 -6.870 -0.777 1.00 0.00 C ATOM 269 C6 G A 9 6.142 -6.546 -1.963 1.00 0.00 C ATOM 270 O6 G A 9 6.501 -5.832 -2.898 1.00 0.00 O ATOM 271 N1 G A 9 4.895 -7.154 -1.989 1.00 0.00 N ATOM 272 C2 G A 9 4.389 -7.973 -1.000 1.00 0.00 C ATOM 273 N2 G A 9 3.166 -8.463 -1.208 1.00 0.00 N ATOM 274 N3 G A 9 5.054 -8.282 0.119 1.00 0.00 N ATOM 275 C4 G A 9 6.273 -7.701 0.168 1.00 0.00 C ATOM 0 H5' G A 9 3.648 -11.222 1.583 1.00 0.00 H new ATOM 0 H5'' G A 9 3.779 -9.578 0.988 1.00 0.00 H new ATOM 0 H4' G A 9 5.048 -10.859 3.274 1.00 0.00 H new ATOM 0 H3' G A 9 4.033 -8.198 2.534 1.00 0.00 H new ATOM 0 H2' G A 9 5.941 -6.876 3.164 1.00 0.00 H new ATOM 0 HO2' G A 9 5.775 -8.396 5.281 1.00 0.00 H new ATOM 0 H1' G A 9 8.040 -8.652 2.883 1.00 0.00 H new ATOM 0 H8 G A 9 9.126 -6.970 1.378 1.00 0.00 H new ATOM 0 H1 G A 9 4.306 -6.982 -2.804 1.00 0.00 H new ATOM 0 H21 G A 9 2.737 -9.075 -0.514 1.00 0.00 H new ATOM 0 H22 G A 9 2.660 -8.226 -2.061 1.00 0.00 H new ATOM 287 P U A 10 2.671 -9.393 4.635 1.00 0.00 P ATOM 288 OP1 U A 10 2.536 -10.172 5.887 1.00 0.00 O ATOM 289 OP2 U A 10 2.190 -9.962 3.357 1.00 0.00 O ATOM 290 O5' U A 10 1.961 -7.964 4.851 1.00 0.00 O ATOM 291 C5' U A 10 1.320 -7.646 6.091 1.00 0.00 C ATOM 292 C4' U A 10 1.874 -6.358 6.691 1.00 0.00 C ATOM 293 O4' U A 10 0.977 -5.798 7.650 1.00 0.00 O ATOM 294 C3' U A 10 3.160 -6.621 7.448 1.00 0.00 C ATOM 295 O3' U A 10 3.900 -5.399 7.505 1.00 0.00 O ATOM 296 C2' U A 10 2.679 -6.957 8.856 1.00 0.00 C ATOM 297 O2' U A 10 3.641 -6.568 9.842 1.00 0.00 O ATOM 298 C1' U A 10 1.394 -6.141 8.981 1.00 0.00 C ATOM 299 N1 U A 10 0.344 -6.915 9.667 1.00 0.00 N ATOM 300 C2 U A 10 0.454 -7.073 11.035 1.00 0.00 C ATOM 301 O2 U A 10 1.396 -6.609 11.674 1.00 0.00 O ATOM 302 N3 U A 10 -0.561 -7.788 11.646 1.00 0.00 N ATOM 303 C4 U A 10 -1.658 -8.349 11.015 1.00 0.00 C ATOM 304 O4 U A 10 -2.507 -8.962 11.660 1.00 0.00 O ATOM 305 C5 U A 10 -1.689 -8.134 9.585 1.00 0.00 C ATOM 306 C6 U A 10 -0.705 -7.438 8.966 1.00 0.00 C ATOM 0 H5' U A 10 1.460 -8.466 6.795 1.00 0.00 H new ATOM 0 H5'' U A 10 0.247 -7.542 5.931 1.00 0.00 H new ATOM 0 H4' U A 10 2.028 -5.682 5.850 1.00 0.00 H new ATOM 0 H3' U A 10 3.781 -7.398 7.003 1.00 0.00 H new ATOM 0 H2' U A 10 2.527 -8.025 9.015 1.00 0.00 H new ATOM 0 HO2' U A 10 3.197 -6.463 10.709 1.00 0.00 H new ATOM 0 H1' U A 10 1.570 -5.244 9.575 1.00 0.00 H new ATOM 0 H3 U A 10 -0.495 -7.913 12.656 1.00 0.00 H new ATOM 0 H5 U A 10 -2.507 -8.533 9.003 1.00 0.00 H new ATOM 0 H6 U A 10 -0.751 -7.294 7.897 1.00 0.00 H new ATOM 317 P G A 11 5.432 -5.387 7.999 1.00 0.00 P ATOM 318 OP1 G A 11 5.910 -6.788 8.057 1.00 0.00 O ATOM 319 OP2 G A 11 5.524 -4.526 9.198 1.00 0.00 O ATOM 320 O5' G A 11 6.188 -4.646 6.786 1.00 0.00 O ATOM 321 C5' G A 11 5.522 -3.634 6.025 1.00 0.00 C ATOM 322 C4' G A 11 6.283 -3.306 4.743 1.00 0.00 C ATOM 323 O4' G A 11 6.042 -4.285 3.727 1.00 0.00 O ATOM 324 C3' G A 11 5.820 -1.984 4.153 1.00 0.00 C ATOM 325 O3' G A 11 6.662 -0.943 4.656 1.00 0.00 O ATOM 326 C2' G A 11 6.100 -2.157 2.672 1.00 0.00 C ATOM 327 O2' G A 11 7.455 -1.823 2.351 1.00 0.00 O ATOM 328 C1' G A 11 5.825 -3.642 2.460 1.00 0.00 C ATOM 329 N9 G A 11 4.445 -3.858 1.985 1.00 0.00 N ATOM 330 C8 G A 11 3.396 -4.444 2.613 1.00 0.00 C ATOM 331 N7 G A 11 2.278 -4.517 1.971 1.00 0.00 N ATOM 332 C5 G A 11 2.607 -3.907 0.756 1.00 0.00 C ATOM 333 C6 G A 11 1.802 -3.672 -0.390 1.00 0.00 C ATOM 334 O6 G A 11 0.620 -3.962 -0.565 1.00 0.00 O ATOM 335 N1 G A 11 2.517 -3.031 -1.394 1.00 0.00 N ATOM 336 C2 G A 11 3.846 -2.659 -1.309 1.00 0.00 C ATOM 337 N2 G A 11 4.359 -2.052 -2.379 1.00 0.00 N ATOM 338 N3 G A 11 4.609 -2.876 -0.233 1.00 0.00 N ATOM 339 C4 G A 11 3.933 -3.500 0.758 1.00 0.00 C ATOM 0 H5' G A 11 5.419 -2.732 6.629 1.00 0.00 H new ATOM 0 H5'' G A 11 4.515 -3.968 5.776 1.00 0.00 H new ATOM 0 H4' G A 11 7.336 -3.275 5.023 1.00 0.00 H new ATOM 0 H3' G A 11 4.783 -1.738 4.380 1.00 0.00 H new ATOM 0 H2' G A 11 5.498 -1.508 2.037 1.00 0.00 H new ATOM 0 HO2' G A 11 7.847 -1.305 3.085 1.00 0.00 H new ATOM 0 H1' G A 11 6.484 -4.057 1.698 1.00 0.00 H new ATOM 0 H8 G A 11 3.492 -4.836 3.615 1.00 0.00 H new ATOM 0 H1 G A 11 2.023 -2.818 -2.261 1.00 0.00 H new ATOM 0 H21 G A 11 5.334 -1.753 -2.377 1.00 0.00 H new ATOM 0 H22 G A 11 3.776 -1.886 -3.199 1.00 0.00 H new ATOM 351 P A A 12 6.021 0.430 5.199 1.00 0.00 P ATOM 352 OP1 A A 12 7.026 1.105 6.052 1.00 0.00 O ATOM 353 OP2 A A 12 4.676 0.132 5.740 1.00 0.00 O ATOM 354 O5' A A 12 5.844 1.292 3.850 1.00 0.00 O ATOM 355 C5' A A 12 6.985 1.659 3.075 1.00 0.00 C ATOM 356 C4' A A 12 6.595 2.101 1.668 1.00 0.00 C ATOM 357 O4' A A 12 5.891 1.076 0.985 1.00 0.00 O ATOM 358 C3' A A 12 5.639 3.282 1.706 1.00 0.00 C ATOM 359 O3' A A 12 6.404 4.484 1.567 1.00 0.00 O ATOM 360 C2' A A 12 4.790 3.116 0.440 1.00 0.00 C ATOM 361 O2' A A 12 5.198 4.032 -0.582 1.00 0.00 O ATOM 362 C1' A A 12 5.031 1.669 0.010 1.00 0.00 C ATOM 363 N9 A A 12 3.751 0.950 -0.076 1.00 0.00 N ATOM 364 C8 A A 12 3.197 0.067 0.785 1.00 0.00 C ATOM 365 N7 A A 12 2.031 -0.403 0.486 1.00 0.00 N ATOM 366 C5 A A 12 1.768 0.245 -0.726 1.00 0.00 C ATOM 367 C6 A A 12 0.685 0.207 -1.611 1.00 0.00 C ATOM 368 N6 A A 12 -0.398 -0.544 -1.405 1.00 0.00 N ATOM 369 N1 A A 12 0.758 0.976 -2.715 1.00 0.00 N ATOM 370 C2 A A 12 1.832 1.736 -2.938 1.00 0.00 C ATOM 371 N3 A A 12 2.910 1.846 -2.169 1.00 0.00 N ATOM 372 C4 A A 12 2.813 1.070 -1.073 1.00 0.00 C ATOM 0 H5' A A 12 7.670 0.813 3.014 1.00 0.00 H new ATOM 0 H5'' A A 12 7.520 2.467 3.575 1.00 0.00 H new ATOM 0 H4' A A 12 7.530 2.354 1.167 1.00 0.00 H new ATOM 0 H3' A A 12 5.050 3.326 2.622 1.00 0.00 H new ATOM 0 H2' A A 12 3.736 3.326 0.619 1.00 0.00 H new ATOM 0 HO2' A A 12 4.433 4.581 -0.854 1.00 0.00 H new ATOM 0 H1' A A 12 5.495 1.623 -0.975 1.00 0.00 H new ATOM 0 H8 A A 12 3.709 -0.234 1.687 1.00 0.00 H new ATOM 0 H61 A A 12 -1.161 -0.536 -2.082 1.00 0.00 H new ATOM 0 H62 A A 12 -0.463 -1.127 -0.570 1.00 0.00 H new ATOM 0 H2 A A 12 1.824 2.326 -3.842 1.00 0.00 H new ATOM 384 P G A 13 5.819 5.891 2.093 1.00 0.00 P ATOM 385 OP1 G A 13 6.961 6.781 2.396 1.00 0.00 O ATOM 386 OP2 G A 13 4.806 5.610 3.135 1.00 0.00 O ATOM 387 O5' G A 13 5.060 6.472 0.794 1.00 0.00 O ATOM 388 C5' G A 13 5.752 7.318 -0.127 1.00 0.00 C ATOM 389 C4' G A 13 5.105 7.306 -1.512 1.00 0.00 C ATOM 390 O4' G A 13 4.665 5.989 -1.873 1.00 0.00 O ATOM 391 C3' G A 13 3.855 8.170 -1.555 1.00 0.00 C ATOM 392 O3' G A 13 4.223 9.491 -1.959 1.00 0.00 O ATOM 393 C2' G A 13 3.060 7.528 -2.674 1.00 0.00 C ATOM 394 O2' G A 13 3.523 7.947 -3.963 1.00 0.00 O ATOM 395 C1' G A 13 3.340 6.055 -2.429 1.00 0.00 C ATOM 396 N9 G A 13 2.343 5.497 -1.502 1.00 0.00 N ATOM 397 C8 G A 13 2.457 5.202 -0.185 1.00 0.00 C ATOM 398 N7 G A 13 1.413 4.742 0.418 1.00 0.00 N ATOM 399 C5 G A 13 0.471 4.721 -0.618 1.00 0.00 C ATOM 400 C6 G A 13 -0.891 4.316 -0.605 1.00 0.00 C ATOM 401 O6 G A 13 -1.550 3.886 0.339 1.00 0.00 O ATOM 402 N1 G A 13 -1.478 4.456 -1.858 1.00 0.00 N ATOM 403 C2 G A 13 -0.838 4.927 -2.987 1.00 0.00 C ATOM 404 N2 G A 13 -1.573 4.990 -4.099 1.00 0.00 N ATOM 405 N3 G A 13 0.443 5.311 -3.008 1.00 0.00 N ATOM 406 C4 G A 13 1.035 5.182 -1.798 1.00 0.00 C ATOM 0 H5' G A 13 6.789 6.993 -0.209 1.00 0.00 H new ATOM 0 H5'' G A 13 5.766 8.338 0.258 1.00 0.00 H new ATOM 0 H4' G A 13 5.872 7.677 -2.192 1.00 0.00 H new ATOM 0 H3' G A 13 3.324 8.235 -0.605 1.00 0.00 H new ATOM 0 H2' G A 13 2.001 7.788 -2.674 1.00 0.00 H new ATOM 0 HO2' G A 13 4.056 8.764 -3.870 1.00 0.00 H new ATOM 0 H1' G A 13 3.276 5.471 -3.347 1.00 0.00 H new ATOM 0 H8 G A 13 3.389 5.347 0.342 1.00 0.00 H new ATOM 0 H1 G A 13 -2.458 4.190 -1.950 1.00 0.00 H new ATOM 0 H21 G A 13 -1.157 5.330 -4.966 1.00 0.00 H new ATOM 0 H22 G A 13 -2.550 4.699 -4.081 1.00 0.00 H new ATOM 418 P C A 14 3.554 10.771 -1.247 1.00 0.00 P ATOM 419 OP1 C A 14 4.386 11.957 -1.551 1.00 0.00 O ATOM 420 OP2 C A 14 3.261 10.417 0.160 1.00 0.00 O ATOM 421 O5' C A 14 2.156 10.919 -2.032 1.00 0.00 O ATOM 422 C5' C A 14 2.090 11.648 -3.260 1.00 0.00 C ATOM 423 C4' C A 14 0.819 11.329 -4.042 1.00 0.00 C ATOM 424 O4' C A 14 0.492 9.941 -3.974 1.00 0.00 O ATOM 425 C3' C A 14 -0.383 12.047 -3.458 1.00 0.00 C ATOM 426 O3' C A 14 -0.508 13.321 -4.095 1.00 0.00 O ATOM 427 C2' C A 14 -1.545 11.176 -3.900 1.00 0.00 C ATOM 428 O2' C A 14 -2.015 11.551 -5.199 1.00 0.00 O ATOM 429 C1' C A 14 -0.935 9.775 -3.911 1.00 0.00 C ATOM 430 N1 C A 14 -1.329 9.028 -2.702 1.00 0.00 N ATOM 431 C2 C A 14 -2.620 8.530 -2.657 1.00 0.00 C ATOM 432 O2 C A 14 -3.382 8.705 -3.606 1.00 0.00 O ATOM 433 N3 C A 14 -3.011 7.849 -1.545 1.00 0.00 N ATOM 434 C4 C A 14 -2.168 7.667 -0.520 1.00 0.00 C ATOM 435 N4 C A 14 -2.582 6.997 0.554 1.00 0.00 N ATOM 436 C5 C A 14 -0.834 8.180 -0.564 1.00 0.00 C ATOM 437 C6 C A 14 -0.457 8.851 -1.669 1.00 0.00 C ATOM 0 H5' C A 14 2.961 11.411 -3.871 1.00 0.00 H new ATOM 0 H5'' C A 14 2.129 12.717 -3.050 1.00 0.00 H new ATOM 0 H4' C A 14 1.023 11.643 -5.066 1.00 0.00 H new ATOM 0 H3' C A 14 -0.325 12.197 -2.380 1.00 0.00 H new ATOM 0 H2' C A 14 -2.416 11.260 -3.250 1.00 0.00 H new ATOM 0 HO2' C A 14 -1.578 12.383 -5.477 1.00 0.00 H new ATOM 0 H1' C A 14 -1.291 9.201 -4.766 1.00 0.00 H new ATOM 0 H41 C A 14 -1.949 6.852 1.340 1.00 0.00 H new ATOM 0 H42 C A 14 -3.532 6.628 0.590 1.00 0.00 H new ATOM 0 H5 C A 14 -0.152 8.034 0.261 1.00 0.00 H new ATOM 0 H6 C A 14 0.543 9.252 -1.737 1.00 0.00 H new ATOM 449 P C A 15 -1.377 14.491 -3.412 1.00 0.00 P ATOM 450 OP1 C A 15 -1.420 15.639 -4.345 1.00 0.00 O ATOM 451 OP2 C A 15 -0.890 14.682 -2.028 1.00 0.00 O ATOM 452 O5' C A 15 -2.851 13.844 -3.342 1.00 0.00 O ATOM 453 C5' C A 15 -3.589 13.594 -4.541 1.00 0.00 C ATOM 454 C4' C A 15 -5.093 13.565 -4.282 1.00 0.00 C ATOM 455 O4' C A 15 -5.488 12.323 -3.697 1.00 0.00 O ATOM 456 C3' C A 15 -5.501 14.657 -3.302 1.00 0.00 C ATOM 457 O3' C A 15 -5.881 15.858 -3.985 1.00 0.00 O ATOM 458 C2' C A 15 -6.683 14.038 -2.575 1.00 0.00 C ATOM 459 O2' C A 15 -7.913 14.301 -3.260 1.00 0.00 O ATOM 460 C1' C A 15 -6.352 12.550 -2.577 1.00 0.00 C ATOM 461 N1 C A 15 -5.699 12.143 -1.320 1.00 0.00 N ATOM 462 C2 C A 15 -6.460 11.428 -0.409 1.00 0.00 C ATOM 463 O2 C A 15 -7.638 11.179 -0.652 1.00 0.00 O ATOM 464 N3 C A 15 -5.867 11.017 0.746 1.00 0.00 N ATOM 465 C4 C A 15 -4.581 11.298 0.997 1.00 0.00 C ATOM 466 N4 C A 15 -4.031 10.877 2.136 1.00 0.00 N ATOM 467 C5 C A 15 -3.794 12.039 0.058 1.00 0.00 C ATOM 468 C6 C A 15 -4.390 12.440 -1.080 1.00 0.00 C ATOM 0 H5' C A 15 -3.275 12.642 -4.970 1.00 0.00 H new ATOM 0 H5'' C A 15 -3.361 14.366 -5.276 1.00 0.00 H new ATOM 0 H4' C A 15 -5.575 13.711 -5.248 1.00 0.00 H new ATOM 0 H3' C A 15 -4.693 14.955 -2.633 1.00 0.00 H new ATOM 0 H2' C A 15 -6.826 14.441 -1.572 1.00 0.00 H new ATOM 0 HO2' C A 15 -7.783 15.035 -3.896 1.00 0.00 H new ATOM 0 HO3' C A 15 -6.139 16.539 -3.330 1.00 0.00 H new ATOM 0 H1' C A 15 -7.262 11.955 -2.657 1.00 0.00 H new ATOM 0 H41 C A 15 -3.053 11.085 2.338 1.00 0.00 H new ATOM 0 H42 C A 15 -4.588 10.347 2.806 1.00 0.00 H new ATOM 0 H5 C A 15 -2.757 12.268 0.256 1.00 0.00 H new ATOM 0 H6 C A 15 -3.826 13.002 -1.810 1.00 0.00 H new TER 481 C A 15