USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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= 0.1 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.365 USER MOD Single : A 3 A O2' : rot -31:sc= 0.139 USER MOD Single : A 4 U O2' : rot -1:sc= -0.187 USER MOD Single : A 5 G O2' : rot -6:sc= 0.0908 USER MOD Single : A 6 U O2' : rot -17:sc= -0.434 USER MOD Single : A 7 C O2' : rot -9:sc= -0.225 USER MOD Single : A 8 C O2' : rot -21:sc= 0.192 USER MOD Single : A 8 C O3' : rot 180:sc= 0.218 USER MOD Single : B 9 G O2' : rot 180:sc= -0.251 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot 180:sc= -0.368 USER MOD Single : B 11 A O2' : rot -23:sc= 0.154 USER MOD Single : B 12 U O2' : rot -170:sc= -0.24 USER MOD Single : B 13 G O2' : rot -10:sc= 0.146 USER MOD Single : B 14 U O2' : rot -17:sc= -0.408 USER MOD Single : B 15 C O2' : rot -11:sc= -0.211 USER MOD Single : B 16 C O2' : rot -28:sc= 0.193 USER MOD Single : B 16 C O3' : rot 180:sc= 0.18 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 4.999 -8.010 6.069 1.00 0.00 O ATOM 2 C5' G A 1 6.335 -8.462 6.059 1.00 0.00 C ATOM 3 C4' G A 1 7.245 -7.394 5.447 1.00 0.00 C ATOM 4 O4' G A 1 6.884 -7.108 4.097 1.00 0.00 O ATOM 5 C3' G A 1 7.154 -6.063 6.166 1.00 0.00 C ATOM 6 O3' G A 1 7.844 -6.061 7.404 1.00 0.00 O ATOM 7 C2' G A 1 7.816 -5.183 5.134 1.00 0.00 C ATOM 8 O2' G A 1 9.207 -5.421 5.133 1.00 0.00 O ATOM 9 C1' G A 1 7.228 -5.737 3.835 1.00 0.00 C ATOM 10 N9 G A 1 6.010 -4.975 3.477 1.00 0.00 N ATOM 11 C8 G A 1 4.696 -5.359 3.561 1.00 0.00 C ATOM 12 N7 G A 1 3.851 -4.447 3.170 1.00 0.00 N ATOM 13 C5 G A 1 4.660 -3.378 2.799 1.00 0.00 C ATOM 14 C6 G A 1 4.303 -2.094 2.291 1.00 0.00 C ATOM 15 O6 G A 1 3.179 -1.649 2.069 1.00 0.00 O ATOM 16 N1 G A 1 5.424 -1.312 2.040 1.00 0.00 N ATOM 17 C2 G A 1 6.728 -1.708 2.253 1.00 0.00 C ATOM 18 N2 G A 1 7.682 -0.817 1.962 1.00 0.00 N ATOM 19 N3 G A 1 7.067 -2.911 2.731 1.00 0.00 N ATOM 20 C4 G A 1 5.985 -3.692 2.981 1.00 0.00 C ATOM 0 H5' G A 1 6.410 -9.387 5.487 1.00 0.00 H new ATOM 0 H5'' G A 1 6.659 -8.688 7.075 1.00 0.00 H new ATOM 0 H4' G A 1 8.247 -7.815 5.527 1.00 0.00 H new ATOM 0 H3' G A 1 6.147 -5.763 6.457 1.00 0.00 H new ATOM 0 H2' G A 1 7.660 -4.116 5.293 1.00 0.00 H new ATOM 0 HO2' G A 1 9.470 -5.827 5.985 1.00 0.00 H new ATOM 0 HO5' G A 1 4.423 -8.700 6.460 1.00 0.00 H new ATOM 0 H1' G A 1 7.936 -5.657 3.010 1.00 0.00 H new ATOM 0 H8 G A 1 4.389 -6.330 3.919 1.00 0.00 H new ATOM 0 H1 G A 1 5.271 -0.374 1.670 1.00 0.00 H new ATOM 0 H21 G A 1 8.664 -1.057 2.100 1.00 0.00 H new ATOM 0 H22 G A 1 7.428 0.103 1.602 1.00 0.00 H new ATOM 33 P G A 2 7.568 -4.906 8.507 1.00 0.00 P ATOM 34 OP1 G A 2 8.366 -5.224 9.711 1.00 0.00 O ATOM 35 OP2 G A 2 6.103 -4.733 8.624 1.00 0.00 O ATOM 36 O5' G A 2 8.177 -3.568 7.844 1.00 0.00 O ATOM 37 C5' G A 2 9.569 -3.332 7.832 1.00 0.00 C ATOM 38 C4' G A 2 9.862 -1.995 7.146 1.00 0.00 C ATOM 39 O4' G A 2 9.347 -1.974 5.812 1.00 0.00 O ATOM 40 C3' G A 2 9.207 -0.817 7.842 1.00 0.00 C ATOM 41 O3' G A 2 9.903 -0.409 9.006 1.00 0.00 O ATOM 42 C2' G A 2 9.294 0.209 6.736 1.00 0.00 C ATOM 43 O2' G A 2 10.626 0.661 6.587 1.00 0.00 O ATOM 44 C1' G A 2 8.917 -0.632 5.523 1.00 0.00 C ATOM 45 N9 G A 2 7.446 -0.593 5.352 1.00 0.00 N ATOM 46 C8 G A 2 6.511 -1.543 5.678 1.00 0.00 C ATOM 47 N7 G A 2 5.284 -1.191 5.419 1.00 0.00 N ATOM 48 C5 G A 2 5.407 0.089 4.889 1.00 0.00 C ATOM 49 C6 G A 2 4.401 0.988 4.429 1.00 0.00 C ATOM 50 O6 G A 2 3.186 0.815 4.389 1.00 0.00 O ATOM 51 N1 G A 2 4.948 2.188 3.990 1.00 0.00 N ATOM 52 C2 G A 2 6.294 2.487 3.984 1.00 0.00 C ATOM 53 N2 G A 2 6.639 3.696 3.528 1.00 0.00 N ATOM 54 N3 G A 2 7.242 1.644 4.409 1.00 0.00 N ATOM 55 C4 G A 2 6.727 0.467 4.848 1.00 0.00 C ATOM 0 H5' G A 2 10.080 -4.140 7.308 1.00 0.00 H new ATOM 0 H5'' G A 2 9.954 -3.320 8.852 1.00 0.00 H new ATOM 0 H4' G A 2 10.948 -1.904 7.175 1.00 0.00 H new ATOM 0 H3' G A 2 8.203 -1.012 8.219 1.00 0.00 H new ATOM 0 H2' G A 2 8.677 1.092 6.900 1.00 0.00 H new ATOM 0 HO2' G A 2 10.668 1.324 5.866 1.00 0.00 H new ATOM 0 H1' G A 2 9.381 -0.264 4.608 1.00 0.00 H new ATOM 0 H8 G A 2 6.770 -2.498 6.111 1.00 0.00 H new ATOM 0 H1 G A 2 4.305 2.901 3.646 1.00 0.00 H new ATOM 0 H21 G A 2 7.621 3.970 3.501 1.00 0.00 H new ATOM 0 H22 G A 2 5.920 4.344 3.207 1.00 0.00 H new ATOM 67 P A A 3 9.196 0.550 10.107 1.00 0.00 P ATOM 68 OP1 A A 3 10.182 0.820 11.177 1.00 0.00 O ATOM 69 OP2 A A 3 7.886 -0.044 10.452 1.00 0.00 O ATOM 70 O5' A A 3 8.923 1.931 9.318 1.00 0.00 O ATOM 71 C5' A A 3 9.989 2.785 8.962 1.00 0.00 C ATOM 72 C4' A A 3 9.452 3.996 8.195 1.00 0.00 C ATOM 73 O4' A A 3 8.710 3.593 7.042 1.00 0.00 O ATOM 74 C3' A A 3 8.493 4.852 8.998 1.00 0.00 C ATOM 75 O3' A A 3 9.163 5.716 9.896 1.00 0.00 O ATOM 76 C2' A A 3 7.807 5.620 7.904 1.00 0.00 C ATOM 77 O2' A A 3 8.659 6.640 7.426 1.00 0.00 O ATOM 78 C1' A A 3 7.655 4.548 6.829 1.00 0.00 C ATOM 79 N9 A A 3 6.335 3.885 6.963 1.00 0.00 N ATOM 80 C8 A A 3 6.043 2.608 7.375 1.00 0.00 C ATOM 81 N7 A A 3 4.774 2.312 7.323 1.00 0.00 N ATOM 82 C5 A A 3 4.179 3.479 6.860 1.00 0.00 C ATOM 83 C6 A A 3 2.842 3.824 6.593 1.00 0.00 C ATOM 84 N6 A A 3 1.819 2.974 6.748 1.00 0.00 N ATOM 85 N1 A A 3 2.593 5.079 6.174 1.00 0.00 N ATOM 86 C2 A A 3 3.610 5.922 6.021 1.00 0.00 C ATOM 87 N3 A A 3 4.905 5.715 6.222 1.00 0.00 N ATOM 88 C4 A A 3 5.121 4.449 6.651 1.00 0.00 C ATOM 0 H5' A A 3 10.710 2.245 8.348 1.00 0.00 H new ATOM 0 H5'' A A 3 10.517 3.115 9.857 1.00 0.00 H new ATOM 0 H4' A A 3 10.348 4.564 7.944 1.00 0.00 H new ATOM 0 H3' A A 3 7.824 4.278 9.640 1.00 0.00 H new ATOM 0 H2' A A 3 6.876 6.097 8.209 1.00 0.00 H new ATOM 0 HO2' A A 3 9.233 6.955 8.155 1.00 0.00 H new ATOM 0 H1' A A 3 7.716 4.980 5.830 1.00 0.00 H new ATOM 0 H8 A A 3 6.797 1.911 7.712 1.00 0.00 H new ATOM 0 H61 A A 3 0.868 3.277 6.539 1.00 0.00 H new ATOM 0 H62 A A 3 1.991 2.023 7.075 1.00 0.00 H new ATOM 0 H2 A A 3 3.345 6.914 5.686 1.00 0.00 H new ATOM 100 P U A 4 8.784 5.731 11.454 1.00 0.00 P ATOM 101 OP1 U A 4 9.759 6.583 12.169 1.00 0.00 O ATOM 102 OP2 U A 4 8.547 4.340 11.897 1.00 0.00 O ATOM 103 O5' U A 4 7.374 6.503 11.403 1.00 0.00 O ATOM 104 C5' U A 4 7.325 7.877 11.073 1.00 0.00 C ATOM 105 C4' U A 4 5.882 8.302 10.804 1.00 0.00 C ATOM 106 O4' U A 4 5.350 7.609 9.677 1.00 0.00 O ATOM 107 C3' U A 4 4.947 7.983 11.952 1.00 0.00 C ATOM 108 O3' U A 4 5.055 8.926 13.003 1.00 0.00 O ATOM 109 C2' U A 4 3.614 8.063 11.243 1.00 0.00 C ATOM 110 O2' U A 4 3.252 9.415 11.055 1.00 0.00 O ATOM 111 C1' U A 4 3.938 7.454 9.876 1.00 0.00 C ATOM 112 N1 U A 4 3.568 6.017 9.857 1.00 0.00 N ATOM 113 C2 U A 4 2.236 5.716 9.631 1.00 0.00 C ATOM 114 O2 U A 4 1.396 6.593 9.445 1.00 0.00 O ATOM 115 N3 U A 4 1.900 4.371 9.623 1.00 0.00 N ATOM 116 C4 U A 4 2.774 3.316 9.830 1.00 0.00 C ATOM 117 O4 U A 4 2.367 2.157 9.815 1.00 0.00 O ATOM 118 C5 U A 4 4.148 3.720 10.044 1.00 0.00 C ATOM 119 C6 U A 4 4.500 5.027 10.048 1.00 0.00 C ATOM 0 H5' U A 4 7.939 8.070 10.193 1.00 0.00 H new ATOM 0 H5'' U A 4 7.741 8.470 11.888 1.00 0.00 H new ATOM 0 H4' U A 4 5.933 9.379 10.645 1.00 0.00 H new ATOM 0 H3' U A 4 5.139 7.032 12.448 1.00 0.00 H new ATOM 0 H2' U A 4 2.804 7.572 11.782 1.00 0.00 H new ATOM 0 HO2' U A 4 3.939 9.995 11.445 1.00 0.00 H new ATOM 0 H1' U A 4 3.378 7.949 9.083 1.00 0.00 H new ATOM 0 H3 U A 4 0.922 4.137 9.449 1.00 0.00 H new ATOM 0 H5 U A 4 4.905 2.966 10.203 1.00 0.00 H new ATOM 0 H6 U A 4 5.534 5.296 10.204 1.00 0.00 H new ATOM 130 P G A 5 4.306 8.682 14.412 1.00 0.00 P ATOM 131 OP1 G A 5 4.696 9.772 15.334 1.00 0.00 O ATOM 132 OP2 G A 5 4.526 7.273 14.806 1.00 0.00 O ATOM 133 O5' G A 5 2.748 8.864 14.052 1.00 0.00 O ATOM 134 C5' G A 5 2.189 10.149 13.857 1.00 0.00 C ATOM 135 C4' G A 5 0.699 10.006 13.540 1.00 0.00 C ATOM 136 O4' G A 5 0.493 9.237 12.362 1.00 0.00 O ATOM 137 C3' G A 5 -0.037 9.249 14.625 1.00 0.00 C ATOM 138 O3' G A 5 -0.316 10.055 15.759 1.00 0.00 O ATOM 139 C2' G A 5 -1.292 8.860 13.885 1.00 0.00 C ATOM 140 O2' G A 5 -2.214 9.929 13.907 1.00 0.00 O ATOM 141 C1' G A 5 -0.810 8.652 12.455 1.00 0.00 C ATOM 142 N9 G A 5 -0.763 7.207 12.168 1.00 0.00 N ATOM 143 C8 G A 5 0.300 6.352 12.234 1.00 0.00 C ATOM 144 N7 G A 5 0.005 5.113 11.946 1.00 0.00 N ATOM 145 C5 G A 5 -1.360 5.150 11.677 1.00 0.00 C ATOM 146 C6 G A 5 -2.258 4.101 11.310 1.00 0.00 C ATOM 147 O6 G A 5 -2.018 2.909 11.127 1.00 0.00 O ATOM 148 N1 G A 5 -3.553 4.572 11.159 1.00 0.00 N ATOM 149 C2 G A 5 -3.949 5.879 11.322 1.00 0.00 C ATOM 150 N2 G A 5 -5.245 6.139 11.124 1.00 0.00 N ATOM 151 N3 G A 5 -3.115 6.867 11.658 1.00 0.00 N ATOM 152 C4 G A 5 -1.839 6.431 11.819 1.00 0.00 C ATOM 0 H5' G A 5 2.699 10.661 13.041 1.00 0.00 H new ATOM 0 H5'' G A 5 2.326 10.758 14.751 1.00 0.00 H new ATOM 0 H4' G A 5 0.330 11.026 13.437 1.00 0.00 H new ATOM 0 H3' G A 5 0.523 8.414 15.046 1.00 0.00 H new ATOM 0 H2' G A 5 -1.784 7.987 14.314 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.870 10.646 14.480 1.00 0.00 H new ATOM 0 H1' G A 5 -1.478 9.117 11.730 1.00 0.00 H new ATOM 0 H8 G A 5 1.296 6.672 12.501 1.00 0.00 H new ATOM 0 H1 G A 5 -4.271 3.893 10.906 1.00 0.00 H new ATOM 0 H21 G A 5 -5.596 7.091 11.231 1.00 0.00 H new ATOM 0 H22 G A 5 -5.883 5.386 10.866 1.00 0.00 H new ATOM 164 P U A 6 -0.818 9.392 17.149 1.00 0.00 P ATOM 165 OP1 U A 6 -0.941 10.473 18.153 1.00 0.00 O ATOM 166 OP2 U A 6 0.051 8.228 17.432 1.00 0.00 O ATOM 167 O5' U A 6 -2.303 8.836 16.830 1.00 0.00 O ATOM 168 C5' U A 6 -3.428 9.694 16.842 1.00 0.00 C ATOM 169 C4' U A 6 -4.713 8.881 16.601 1.00 0.00 C ATOM 170 O4' U A 6 -4.729 8.275 15.300 1.00 0.00 O ATOM 171 C3' U A 6 -4.876 7.726 17.579 1.00 0.00 C ATOM 172 O3' U A 6 -5.363 8.121 18.845 1.00 0.00 O ATOM 173 C2' U A 6 -5.896 6.903 16.838 1.00 0.00 C ATOM 174 O2' U A 6 -7.165 7.519 16.921 1.00 0.00 O ATOM 175 C1' U A 6 -5.406 7.004 15.407 1.00 0.00 C ATOM 176 N1 U A 6 -4.468 5.896 15.096 1.00 0.00 N ATOM 177 C2 U A 6 -5.000 4.735 14.548 1.00 0.00 C ATOM 178 O2 U A 6 -6.206 4.585 14.370 1.00 0.00 O ATOM 179 N3 U A 6 -4.091 3.748 14.210 1.00 0.00 N ATOM 180 C4 U A 6 -2.717 3.816 14.367 1.00 0.00 C ATOM 181 O4 U A 6 -2.004 2.869 14.048 1.00 0.00 O ATOM 182 C5 U A 6 -2.250 5.065 14.925 1.00 0.00 C ATOM 183 C6 U A 6 -3.120 6.039 15.271 1.00 0.00 C ATOM 0 H5' U A 6 -3.321 10.458 16.072 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.490 10.213 17.799 1.00 0.00 H new ATOM 0 H4' U A 6 -5.514 9.611 16.721 1.00 0.00 H new ATOM 0 H3' U A 6 -3.940 7.223 17.823 1.00 0.00 H new ATOM 0 H2' U A 6 -5.995 5.887 17.219 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.164 8.172 17.652 1.00 0.00 H new ATOM 0 H1' U A 6 -6.235 6.932 14.703 1.00 0.00 H new ATOM 0 H3 U A 6 -4.468 2.890 13.808 1.00 0.00 H new ATOM 0 H5 U A 6 -1.191 5.222 15.067 1.00 0.00 H new ATOM 0 H6 U A 6 -2.740 6.956 15.697 1.00 0.00 H new ATOM 194 P C A 7 -5.313 7.098 20.099 1.00 0.00 P ATOM 195 OP1 C A 7 -6.008 7.735 21.239 1.00 0.00 O ATOM 196 OP2 C A 7 -3.913 6.646 20.256 1.00 0.00 O ATOM 197 O5' C A 7 -6.194 5.827 19.619 1.00 0.00 O ATOM 198 C5' C A 7 -7.607 5.877 19.612 1.00 0.00 C ATOM 199 C4' C A 7 -8.181 4.525 19.161 1.00 0.00 C ATOM 200 O4' C A 7 -7.756 4.168 17.840 1.00 0.00 O ATOM 201 C3' C A 7 -7.718 3.381 20.037 1.00 0.00 C ATOM 202 O3' C A 7 -8.402 3.339 21.276 1.00 0.00 O ATOM 203 C2' C A 7 -8.071 2.206 19.153 1.00 0.00 C ATOM 204 O2' C A 7 -9.462 1.965 19.211 1.00 0.00 O ATOM 205 C1' C A 7 -7.724 2.726 17.758 1.00 0.00 C ATOM 206 N1 C A 7 -6.375 2.241 17.353 1.00 0.00 N ATOM 207 C2 C A 7 -6.266 0.906 16.970 1.00 0.00 C ATOM 208 O2 C A 7 -7.259 0.182 16.956 1.00 0.00 O ATOM 209 N3 C A 7 -5.039 0.433 16.616 1.00 0.00 N ATOM 210 C4 C A 7 -3.962 1.229 16.641 1.00 0.00 C ATOM 211 N4 C A 7 -2.777 0.726 16.283 1.00 0.00 N ATOM 212 C5 C A 7 -4.058 2.603 17.028 1.00 0.00 C ATOM 213 C6 C A 7 -5.281 3.063 17.367 1.00 0.00 C ATOM 0 H5' C A 7 -7.947 6.667 18.942 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.975 6.123 20.608 1.00 0.00 H new ATOM 0 H4' C A 7 -9.261 4.663 19.216 1.00 0.00 H new ATOM 0 H3' C A 7 -6.670 3.433 20.333 1.00 0.00 H new ATOM 0 H2' C A 7 -7.561 1.284 19.432 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.859 2.511 19.922 1.00 0.00 H new ATOM 0 H1' C A 7 -8.430 2.369 17.008 1.00 0.00 H new ATOM 0 H41 C A 7 -1.947 1.318 16.296 1.00 0.00 H new ATOM 0 H42 C A 7 -2.703 -0.250 15.997 1.00 0.00 H new ATOM 0 H5 C A 7 -3.189 3.245 17.048 1.00 0.00 H new ATOM 0 H6 C A 7 -5.398 4.098 17.654 1.00 0.00 H new ATOM 225 P C A 8 -7.861 2.417 22.487 1.00 0.00 P ATOM 226 OP1 C A 8 -8.787 2.569 23.631 1.00 0.00 O ATOM 227 OP2 C A 8 -6.421 2.702 22.667 1.00 0.00 O ATOM 228 O5' C A 8 -8.002 0.912 21.929 1.00 0.00 O ATOM 229 C5' C A 8 -9.254 0.260 21.890 1.00 0.00 C ATOM 230 C4' C A 8 -9.059 -1.172 21.386 1.00 0.00 C ATOM 231 O4' C A 8 -8.539 -1.197 20.062 1.00 0.00 O ATOM 232 C3' C A 8 -8.044 -1.930 22.216 1.00 0.00 C ATOM 233 O3' C A 8 -8.582 -2.393 23.437 1.00 0.00 O ATOM 234 C2' C A 8 -7.718 -3.071 21.288 1.00 0.00 C ATOM 235 O2' C A 8 -8.720 -4.059 21.386 1.00 0.00 O ATOM 236 C1' C A 8 -7.786 -2.412 19.908 1.00 0.00 C ATOM 237 N1 C A 8 -6.405 -2.110 19.467 1.00 0.00 N ATOM 238 C2 C A 8 -5.693 -3.127 18.839 1.00 0.00 C ATOM 239 O2 C A 8 -6.233 -4.204 18.592 1.00 0.00 O ATOM 240 N3 C A 8 -4.390 -2.897 18.514 1.00 0.00 N ATOM 241 C4 C A 8 -3.807 -1.726 18.804 1.00 0.00 C ATOM 242 N4 C A 8 -2.527 -1.539 18.466 1.00 0.00 N ATOM 243 C5 C A 8 -4.524 -0.682 19.472 1.00 0.00 C ATOM 244 C6 C A 8 -5.814 -0.919 19.777 1.00 0.00 C ATOM 0 H5' C A 8 -9.938 0.799 21.235 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.704 0.251 22.883 1.00 0.00 H new ATOM 0 H4' C A 8 -10.048 -1.627 21.444 1.00 0.00 H new ATOM 0 H3' C A 8 -7.187 -1.330 22.523 1.00 0.00 H new ATOM 0 H2' C A 8 -6.763 -3.551 21.501 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.195 -3.960 22.237 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.891 -2.877 23.936 1.00 0.00 H new ATOM 0 H1' C A 8 -8.258 -3.057 19.167 1.00 0.00 H new ATOM 0 H41 C A 8 -2.067 -0.654 18.679 1.00 0.00 H new ATOM 0 H42 C A 8 -2.010 -2.282 17.995 1.00 0.00 H new ATOM 0 H5 C A 8 -4.050 0.256 19.721 1.00 0.00 H new ATOM 0 H6 C A 8 -6.391 -0.154 20.275 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.534 -9.460 13.792 1.00 0.00 O ATOM 259 C5' G B 9 1.920 -10.729 13.714 1.00 0.00 C ATOM 260 C4' G B 9 0.468 -10.647 14.196 1.00 0.00 C ATOM 261 O4' G B 9 0.394 -10.249 15.563 1.00 0.00 O ATOM 262 C3' G B 9 -0.349 -9.619 13.441 1.00 0.00 C ATOM 263 O3' G B 9 -0.725 -10.061 12.150 1.00 0.00 O ATOM 264 C2' G B 9 -1.526 -9.498 14.378 1.00 0.00 C ATOM 265 O2' G B 9 -2.349 -10.640 14.264 1.00 0.00 O ATOM 266 C1' G B 9 -0.834 -9.524 15.741 1.00 0.00 C ATOM 267 N9 G B 9 -0.537 -8.138 16.165 1.00 0.00 N ATOM 268 C8 G B 9 0.661 -7.470 16.155 1.00 0.00 C ATOM 269 N7 G B 9 0.585 -6.240 16.579 1.00 0.00 N ATOM 270 C5 G B 9 -0.761 -6.076 16.893 1.00 0.00 C ATOM 271 C6 G B 9 -1.450 -4.935 17.400 1.00 0.00 C ATOM 272 O6 G B 9 -0.994 -3.828 17.673 1.00 0.00 O ATOM 273 N1 G B 9 -2.805 -5.193 17.580 1.00 0.00 N ATOM 274 C2 G B 9 -3.424 -6.394 17.306 1.00 0.00 C ATOM 275 N2 G B 9 -4.740 -6.459 17.536 1.00 0.00 N ATOM 276 N3 G B 9 -2.781 -7.466 16.827 1.00 0.00 N ATOM 277 C4 G B 9 -1.455 -7.235 16.645 1.00 0.00 C ATOM 0 H5' G B 9 2.472 -11.446 14.322 1.00 0.00 H new ATOM 0 H5'' G B 9 1.949 -11.092 12.687 1.00 0.00 H new ATOM 0 H4' G B 9 0.073 -11.650 14.034 1.00 0.00 H new ATOM 0 H3' G B 9 0.170 -8.685 13.228 1.00 0.00 H new ATOM 0 H2' G B 9 -2.152 -8.625 14.195 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.111 -10.557 14.875 1.00 0.00 H new ATOM 0 HO5' G B 9 3.462 -9.526 13.483 1.00 0.00 H new ATOM 0 H1' G B 9 -1.461 -9.992 16.500 1.00 0.00 H new ATOM 0 H8 G B 9 1.584 -7.923 15.825 1.00 0.00 H new ATOM 0 H1 G B 9 -3.385 -4.436 17.942 1.00 0.00 H new ATOM 0 H21 G B 9 -5.248 -7.324 17.351 1.00 0.00 H new ATOM 0 H22 G B 9 -5.235 -5.644 17.897 1.00 0.00 H new ATOM 290 P G B 10 -1.316 -9.024 11.059 1.00 0.00 P ATOM 291 OP1 G B 10 -1.588 -9.773 9.813 1.00 0.00 O ATOM 292 OP2 G B 10 -0.422 -7.845 11.025 1.00 0.00 O ATOM 293 O5' G B 10 -2.728 -8.562 11.684 1.00 0.00 O ATOM 294 C5' G B 10 -3.838 -9.434 11.691 1.00 0.00 C ATOM 295 C4' G B 10 -5.027 -8.746 12.366 1.00 0.00 C ATOM 296 O4' G B 10 -4.709 -8.357 13.706 1.00 0.00 O ATOM 297 C3' G B 10 -5.441 -7.463 11.673 1.00 0.00 C ATOM 298 O3' G B 10 -6.184 -7.689 10.488 1.00 0.00 O ATOM 299 C2' G B 10 -6.282 -6.854 12.769 1.00 0.00 C ATOM 300 O2' G B 10 -7.502 -7.555 12.891 1.00 0.00 O ATOM 301 C1' G B 10 -5.423 -7.144 13.994 1.00 0.00 C ATOM 302 N9 G B 10 -4.471 -6.026 14.189 1.00 0.00 N ATOM 303 C8 G B 10 -3.134 -5.967 13.886 1.00 0.00 C ATOM 304 N7 G B 10 -2.577 -4.822 14.164 1.00 0.00 N ATOM 305 C5 G B 10 -3.617 -4.060 14.682 1.00 0.00 C ATOM 306 C6 G B 10 -3.618 -2.715 15.152 1.00 0.00 C ATOM 307 O6 G B 10 -2.675 -1.930 15.213 1.00 0.00 O ATOM 308 N1 G B 10 -4.882 -2.320 15.575 1.00 0.00 N ATOM 309 C2 G B 10 -6.006 -3.117 15.557 1.00 0.00 C ATOM 310 N2 G B 10 -7.140 -2.567 16.002 1.00 0.00 N ATOM 311 N3 G B 10 -6.009 -4.383 15.121 1.00 0.00 N ATOM 312 C4 G B 10 -4.784 -4.787 14.698 1.00 0.00 C ATOM 0 H5' G B 10 -3.588 -10.353 12.221 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.099 -9.715 10.671 1.00 0.00 H new ATOM 0 H4' G B 10 -5.828 -9.484 12.324 1.00 0.00 H new ATOM 0 H3' G B 10 -4.615 -6.847 11.319 1.00 0.00 H new ATOM 0 H2' G B 10 -6.529 -5.804 12.611 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.040 -7.154 13.605 1.00 0.00 H new ATOM 0 H1' G B 10 -6.021 -7.249 14.899 1.00 0.00 H new ATOM 0 H8 G B 10 -2.592 -6.796 13.455 1.00 0.00 H new ATOM 0 H1 G B 10 -4.985 -1.368 15.925 1.00 0.00 H new ATOM 0 H21 G B 10 -8.002 -3.112 16.011 1.00 0.00 H new ATOM 0 H22 G B 10 -7.143 -1.602 16.333 1.00 0.00 H new ATOM 324 P A B 11 -6.407 -6.503 9.404 1.00 0.00 P ATOM 325 OP1 A B 11 -7.237 -7.040 8.304 1.00 0.00 O ATOM 326 OP2 A B 11 -5.085 -5.910 9.103 1.00 0.00 O ATOM 327 O5' A B 11 -7.278 -5.398 10.195 1.00 0.00 O ATOM 328 C5' A B 11 -8.628 -5.641 10.523 1.00 0.00 C ATOM 329 C4' A B 11 -9.197 -4.452 11.302 1.00 0.00 C ATOM 330 O4' A B 11 -8.421 -4.179 12.473 1.00 0.00 O ATOM 331 C3' A B 11 -9.201 -3.153 10.520 1.00 0.00 C ATOM 332 O3' A B 11 -10.291 -3.069 9.625 1.00 0.00 O ATOM 333 C2' A B 11 -9.322 -2.143 11.627 1.00 0.00 C ATOM 334 O2' A B 11 -10.655 -2.098 12.096 1.00 0.00 O ATOM 335 C1' A B 11 -8.431 -2.757 12.700 1.00 0.00 C ATOM 336 N9 A B 11 -7.056 -2.213 12.582 1.00 0.00 N ATOM 337 C8 A B 11 -5.907 -2.838 12.165 1.00 0.00 C ATOM 338 N7 A B 11 -4.842 -2.089 12.231 1.00 0.00 N ATOM 339 C5 A B 11 -5.318 -0.875 12.710 1.00 0.00 C ATOM 340 C6 A B 11 -4.687 0.349 12.995 1.00 0.00 C ATOM 341 N6 A B 11 -3.372 0.549 12.847 1.00 0.00 N ATOM 342 N1 A B 11 -5.460 1.364 13.426 1.00 0.00 N ATOM 343 C2 A B 11 -6.767 1.164 13.572 1.00 0.00 C ATOM 344 N3 A B 11 -7.472 0.062 13.353 1.00 0.00 N ATOM 345 C4 A B 11 -6.670 -0.936 12.913 1.00 0.00 C ATOM 0 H5' A B 11 -8.709 -6.550 11.119 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.208 -5.803 9.615 1.00 0.00 H new ATOM 0 H4' A B 11 -10.218 -4.756 11.533 1.00 0.00 H new ATOM 0 H3' A B 11 -8.326 -3.024 9.883 1.00 0.00 H new ATOM 0 H2' A B 11 -9.052 -1.128 11.336 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.258 -2.431 11.399 1.00 0.00 H new ATOM 0 H1' A B 11 -8.801 -2.526 13.699 1.00 0.00 H new ATOM 0 H8 A B 11 -5.887 -3.859 11.814 1.00 0.00 H new ATOM 0 H61 A B 11 -2.966 1.458 13.069 1.00 0.00 H new ATOM 0 H62 A B 11 -2.776 -0.208 12.512 1.00 0.00 H new ATOM 0 H2 A B 11 -7.332 2.017 13.917 1.00 0.00 H new ATOM 357 P U B 12 -10.050 -2.751 8.071 1.00 0.00 P ATOM 358 OP1 U B 12 -11.337 -2.898 7.354 1.00 0.00 O ATOM 359 OP2 U B 12 -8.857 -3.497 7.616 1.00 0.00 O ATOM 360 O5' U B 12 -9.683 -1.188 8.146 1.00 0.00 O ATOM 361 C5' U B 12 -10.673 -0.239 8.493 1.00 0.00 C ATOM 362 C4' U B 12 -10.024 1.115 8.779 1.00 0.00 C ATOM 363 O4' U B 12 -9.153 1.035 9.904 1.00 0.00 O ATOM 364 C3' U B 12 -9.161 1.611 7.639 1.00 0.00 C ATOM 365 O3' U B 12 -9.930 2.158 6.583 1.00 0.00 O ATOM 366 C2' U B 12 -8.347 2.658 8.361 1.00 0.00 C ATOM 367 O2' U B 12 -9.132 3.813 8.562 1.00 0.00 O ATOM 368 C1' U B 12 -8.104 1.996 9.720 1.00 0.00 C ATOM 369 N1 U B 12 -6.781 1.323 9.733 1.00 0.00 N ATOM 370 C2 U B 12 -5.673 2.121 9.970 1.00 0.00 C ATOM 371 O2 U B 12 -5.775 3.330 10.167 1.00 0.00 O ATOM 372 N3 U B 12 -4.443 1.482 9.975 1.00 0.00 N ATOM 373 C4 U B 12 -4.231 0.130 9.757 1.00 0.00 C ATOM 374 O4 U B 12 -3.093 -0.334 9.772 1.00 0.00 O ATOM 375 C5 U B 12 -5.443 -0.631 9.532 1.00 0.00 C ATOM 376 C6 U B 12 -6.655 -0.028 9.530 1.00 0.00 C ATOM 0 H5' U B 12 -11.223 -0.580 9.370 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.395 -0.141 7.682 1.00 0.00 H new ATOM 0 H4' U B 12 -10.860 1.794 8.946 1.00 0.00 H new ATOM 0 H3' U B 12 -8.573 0.840 7.141 1.00 0.00 H new ATOM 0 H2' U B 12 -7.443 2.954 7.829 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.563 4.543 8.884 1.00 0.00 H new ATOM 0 H1' U B 12 -8.105 2.734 10.522 1.00 0.00 H new ATOM 0 H3 U B 12 -3.621 2.058 10.155 1.00 0.00 H new ATOM 0 H5 U B 12 -5.379 -1.696 9.363 1.00 0.00 H new ATOM 0 H6 U B 12 -7.541 -0.623 9.365 1.00 0.00 H new ATOM 387 P G B 13 -9.236 2.587 5.192 1.00 0.00 P ATOM 388 OP1 G B 13 -10.303 2.993 4.251 1.00 0.00 O ATOM 389 OP2 G B 13 -8.285 1.520 4.808 1.00 0.00 O ATOM 390 O5' G B 13 -8.387 3.898 5.583 1.00 0.00 O ATOM 391 C5' G B 13 -9.026 5.142 5.797 1.00 0.00 C ATOM 392 C4' G B 13 -7.975 6.193 6.160 1.00 0.00 C ATOM 393 O4' G B 13 -7.264 5.827 7.337 1.00 0.00 O ATOM 394 C3' G B 13 -6.910 6.318 5.090 1.00 0.00 C ATOM 395 O3' G B 13 -7.344 7.092 3.983 1.00 0.00 O ATOM 396 C2' G B 13 -5.818 7.010 5.867 1.00 0.00 C ATOM 397 O2' G B 13 -6.055 8.402 5.894 1.00 0.00 O ATOM 398 C1' G B 13 -5.976 6.450 7.275 1.00 0.00 C ATOM 399 N9 G B 13 -4.905 5.469 7.529 1.00 0.00 N ATOM 400 C8 G B 13 -4.936 4.109 7.400 1.00 0.00 C ATOM 401 N7 G B 13 -3.804 3.522 7.674 1.00 0.00 N ATOM 402 C5 G B 13 -2.954 4.574 8.002 1.00 0.00 C ATOM 403 C6 G B 13 -1.577 4.564 8.381 1.00 0.00 C ATOM 404 O6 G B 13 -0.824 3.602 8.523 1.00 0.00 O ATOM 405 N1 G B 13 -1.102 5.847 8.599 1.00 0.00 N ATOM 406 C2 G B 13 -1.842 7.000 8.482 1.00 0.00 C ATOM 407 N2 G B 13 -1.204 8.147 8.740 1.00 0.00 N ATOM 408 N3 G B 13 -3.131 7.018 8.134 1.00 0.00 N ATOM 409 C4 G B 13 -3.621 5.772 7.909 1.00 0.00 C ATOM 0 H5' G B 13 -9.761 5.054 6.597 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.566 5.446 4.900 1.00 0.00 H new ATOM 0 H4' G B 13 -8.531 7.122 6.286 1.00 0.00 H new ATOM 0 H3' G B 13 -6.617 5.371 4.637 1.00 0.00 H new ATOM 0 H2' G B 13 -4.827 6.852 5.441 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.780 8.622 5.273 1.00 0.00 H new ATOM 0 H1' G B 13 -5.902 7.232 8.031 1.00 0.00 H new ATOM 0 H8 G B 13 -5.820 3.568 7.098 1.00 0.00 H new ATOM 0 H1 G B 13 -0.123 5.944 8.868 1.00 0.00 H new ATOM 0 H21 G B 13 -1.702 9.034 8.669 1.00 0.00 H new ATOM 0 H22 G B 13 -0.220 8.134 9.007 1.00 0.00 H new ATOM 421 P U B 14 -6.532 7.069 2.582 1.00 0.00 P ATOM 422 OP1 U B 14 -7.258 7.926 1.619 1.00 0.00 O ATOM 423 OP2 U B 14 -6.263 5.654 2.242 1.00 0.00 O ATOM 424 O5' U B 14 -5.117 7.777 2.912 1.00 0.00 O ATOM 425 C5' U B 14 -4.986 9.186 2.935 1.00 0.00 C ATOM 426 C4' U B 14 -3.514 9.572 3.166 1.00 0.00 C ATOM 427 O4' U B 14 -3.048 9.155 4.456 1.00 0.00 O ATOM 428 C3' U B 14 -2.569 8.913 2.172 1.00 0.00 C ATOM 429 O3' U B 14 -2.549 9.541 0.906 1.00 0.00 O ATOM 430 C2' U B 14 -1.267 9.110 2.899 1.00 0.00 C ATOM 431 O2' U B 14 -0.881 10.466 2.824 1.00 0.00 O ATOM 432 C1' U B 14 -1.655 8.802 4.332 1.00 0.00 C ATOM 433 N1 U B 14 -1.465 7.360 4.627 1.00 0.00 N ATOM 434 C2 U B 14 -0.244 6.966 5.156 1.00 0.00 C ATOM 435 O2 U B 14 0.683 7.755 5.328 1.00 0.00 O ATOM 436 N3 U B 14 -0.122 5.626 5.481 1.00 0.00 N ATOM 437 C4 U B 14 -1.100 4.658 5.325 1.00 0.00 C ATOM 438 O4 U B 14 -0.875 3.489 5.629 1.00 0.00 O ATOM 439 C5 U B 14 -2.345 5.160 4.788 1.00 0.00 C ATOM 440 C6 U B 14 -2.482 6.463 4.456 1.00 0.00 C ATOM 0 H5' U B 14 -5.609 9.605 3.725 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.338 9.608 1.994 1.00 0.00 H new ATOM 0 H4' U B 14 -3.503 10.657 3.059 1.00 0.00 H new ATOM 0 H3' U B 14 -2.833 7.884 1.926 1.00 0.00 H new ATOM 0 H2' U B 14 -0.449 8.506 2.505 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.386 10.911 2.112 1.00 0.00 H new ATOM 0 H1' U B 14 -1.036 9.359 5.035 1.00 0.00 H new ATOM 0 H3 U B 14 0.771 5.324 5.871 1.00 0.00 H new ATOM 0 H5 U B 14 -3.177 4.485 4.650 1.00 0.00 H new ATOM 0 H6 U B 14 -3.420 6.805 4.045 1.00 0.00 H new ATOM 451 P C B 15 -1.841 8.817 -0.358 1.00 0.00 P ATOM 452 OP1 C B 15 -1.862 9.760 -1.498 1.00 0.00 O ATOM 453 OP2 C B 15 -2.447 7.476 -0.506 1.00 0.00 O ATOM 454 O5' C B 15 -0.301 8.617 0.103 1.00 0.00 O ATOM 455 C5' C B 15 0.608 9.700 0.104 1.00 0.00 C ATOM 456 C4' C B 15 2.001 9.218 0.535 1.00 0.00 C ATOM 457 O4' C B 15 1.996 8.653 1.851 1.00 0.00 O ATOM 458 C3' C B 15 2.530 8.114 -0.356 1.00 0.00 C ATOM 459 O3' C B 15 3.008 8.602 -1.596 1.00 0.00 O ATOM 460 C2' C B 15 3.648 7.582 0.512 1.00 0.00 C ATOM 461 O2' C B 15 4.757 8.456 0.451 1.00 0.00 O ATOM 462 C1' C B 15 3.043 7.661 1.914 1.00 0.00 C ATOM 463 N1 C B 15 2.502 6.331 2.309 1.00 0.00 N ATOM 464 C2 C B 15 3.423 5.347 2.660 1.00 0.00 C ATOM 465 O2 C B 15 4.627 5.594 2.653 1.00 0.00 O ATOM 466 N3 C B 15 2.955 4.116 3.008 1.00 0.00 N ATOM 467 C4 C B 15 1.641 3.855 3.008 1.00 0.00 C ATOM 468 N4 C B 15 1.223 2.636 3.361 1.00 0.00 N ATOM 469 C5 C B 15 0.681 4.856 2.654 1.00 0.00 C ATOM 470 C6 C B 15 1.157 6.075 2.320 1.00 0.00 C ATOM 0 H5' C B 15 0.258 10.478 0.782 1.00 0.00 H new ATOM 0 H5'' C B 15 0.659 10.143 -0.891 1.00 0.00 H new ATOM 0 H4' C B 15 2.621 10.113 0.480 1.00 0.00 H new ATOM 0 H3' C B 15 1.785 7.375 -0.650 1.00 0.00 H new ATOM 0 H2' C B 15 3.989 6.588 0.221 1.00 0.00 H new ATOM 0 HO2' C B 15 4.618 9.112 -0.264 1.00 0.00 H new ATOM 0 H1' C B 15 3.787 7.938 2.661 1.00 0.00 H new ATOM 0 H41 C B 15 0.226 2.420 3.366 1.00 0.00 H new ATOM 0 H42 C B 15 1.901 1.921 3.625 1.00 0.00 H new ATOM 0 H5 C B 15 -0.378 4.646 2.654 1.00 0.00 H new ATOM 0 H6 C B 15 0.465 6.861 2.057 1.00 0.00 H new ATOM 482 P C B 16 3.312 7.592 -2.819 1.00 0.00 P ATOM 483 OP1 C B 16 3.821 8.388 -3.958 1.00 0.00 O ATOM 484 OP2 C B 16 2.124 6.729 -3.001 1.00 0.00 O ATOM 485 O5' C B 16 4.517 6.668 -2.277 1.00 0.00 O ATOM 486 C5' C B 16 5.846 7.146 -2.240 1.00 0.00 C ATOM 487 C4' C B 16 6.769 6.030 -1.742 1.00 0.00 C ATOM 488 O4' C B 16 6.428 5.616 -0.423 1.00 0.00 O ATOM 489 C3' C B 16 6.650 4.778 -2.587 1.00 0.00 C ATOM 490 O3' C B 16 7.375 4.871 -3.794 1.00 0.00 O ATOM 491 C2' C B 16 7.252 3.751 -1.662 1.00 0.00 C ATOM 492 O2' C B 16 8.662 3.809 -1.738 1.00 0.00 O ATOM 493 C1' C B 16 6.799 4.234 -0.283 1.00 0.00 C ATOM 494 N1 C B 16 5.630 3.425 0.133 1.00 0.00 N ATOM 495 C2 C B 16 5.880 2.197 0.739 1.00 0.00 C ATOM 496 O2 C B 16 7.032 1.849 0.988 1.00 0.00 O ATOM 497 N3 C B 16 4.818 1.397 1.038 1.00 0.00 N ATOM 498 C4 C B 16 3.568 1.778 0.742 1.00 0.00 C ATOM 499 N4 C B 16 2.553 0.965 1.054 1.00 0.00 N ATOM 500 C5 C B 16 3.302 3.027 0.095 1.00 0.00 C ATOM 501 C6 C B 16 4.360 3.813 -0.183 1.00 0.00 C ATOM 0 H5' C B 16 5.915 8.012 -1.582 1.00 0.00 H new ATOM 0 H5'' C B 16 6.155 7.474 -3.233 1.00 0.00 H new ATOM 0 H4' C B 16 7.772 6.453 -1.789 1.00 0.00 H new ATOM 0 H3' C B 16 5.632 4.561 -2.911 1.00 0.00 H new ATOM 0 H2' C B 16 6.954 2.728 -1.893 1.00 0.00 H new ATOM 0 HO2' C B 16 8.929 4.131 -2.624 1.00 0.00 H new ATOM 0 HO3' C B 16 7.270 4.041 -4.304 1.00 0.00 H new ATOM 0 H1' C B 16 7.583 4.130 0.467 1.00 0.00 H new ATOM 0 H41 C B 16 1.595 1.239 0.836 1.00 0.00 H new ATOM 0 H42 C B 16 2.737 0.071 1.510 1.00 0.00 H new ATOM 0 H5 C B 16 2.296 3.326 -0.159 1.00 0.00 H new ATOM 0 H6 C B 16 4.201 4.767 -0.664 1.00 0.00 H new TER 514 C B 16