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 180:sc= -0.204 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.363 USER MOD Single : A 3 A O2' : rot -34:sc= 0.151 USER MOD Single : A 4 U O2' : rot -2:sc= -0.177 USER MOD Single : A 5 G O2' : rot -9:sc= 0.127 USER MOD Single : A 6 U O2' : rot -15:sc= -0.429 USER MOD Single : A 7 C O2' : rot -11:sc= -0.198 USER MOD Single : A 8 C O2' : rot -22:sc= 0.151 USER MOD Single : A 8 C O3' : rot 180:sc= 0.186 USER MOD Single : B 9 G O2' : rot 180:sc= -0.222 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot 180:sc= -0.366 USER MOD Single : B 11 A O2' : rot -27:sc= 0.168 USER MOD Single : B 12 U O2' : rot -136:sc= 0.14 USER MOD Single : B 13 G O2' : rot -14:sc= 0.175 USER MOD Single : B 14 U O2' : rot -15:sc= -0.442 USER MOD Single : B 15 C O2' : rot -10:sc= -0.159 USER MOD Single : B 16 C O2' : rot -27:sc= 0.139 USER MOD Single : B 16 C O3' : rot 180:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.081 -8.156 6.190 1.00 0.00 O ATOM 2 C5' G A 1 6.439 -8.531 6.271 1.00 0.00 C ATOM 3 C4' G A 1 7.326 -7.406 5.732 1.00 0.00 C ATOM 4 O4' G A 1 7.041 -7.126 4.363 1.00 0.00 O ATOM 5 C3' G A 1 7.108 -6.091 6.451 1.00 0.00 C ATOM 6 O3' G A 1 7.707 -6.062 7.733 1.00 0.00 O ATOM 7 C2' G A 1 7.787 -5.160 5.474 1.00 0.00 C ATOM 8 O2' G A 1 9.189 -5.297 5.579 1.00 0.00 O ATOM 9 C1' G A 1 7.336 -5.739 4.132 1.00 0.00 C ATOM 10 N9 G A 1 6.118 -5.031 3.680 1.00 0.00 N ATOM 11 C8 G A 1 4.815 -5.459 3.691 1.00 0.00 C ATOM 12 N7 G A 1 3.964 -4.580 3.241 1.00 0.00 N ATOM 13 C5 G A 1 4.757 -3.487 2.906 1.00 0.00 C ATOM 14 C6 G A 1 4.389 -2.219 2.367 1.00 0.00 C ATOM 15 O6 G A 1 3.266 -1.811 2.078 1.00 0.00 O ATOM 16 N1 G A 1 5.497 -1.403 2.173 1.00 0.00 N ATOM 17 C2 G A 1 6.798 -1.755 2.464 1.00 0.00 C ATOM 18 N2 G A 1 7.739 -0.837 2.216 1.00 0.00 N ATOM 19 N3 G A 1 7.148 -2.942 2.973 1.00 0.00 N ATOM 20 C4 G A 1 6.079 -3.756 3.168 1.00 0.00 C ATOM 0 H5' G A 1 6.607 -9.444 5.699 1.00 0.00 H new ATOM 0 H5'' G A 1 6.703 -8.750 7.306 1.00 0.00 H new ATOM 0 H4' G A 1 8.343 -7.769 5.879 1.00 0.00 H new ATOM 0 H3' G A 1 6.067 -5.854 6.672 1.00 0.00 H new ATOM 0 H2' G A 1 7.548 -4.107 5.625 1.00 0.00 H new ATOM 0 HO2' G A 1 9.625 -4.692 4.943 1.00 0.00 H new ATOM 0 HO5' G A 1 4.520 -8.882 6.535 1.00 0.00 H new ATOM 0 H1' G A 1 8.103 -5.626 3.366 1.00 0.00 H new ATOM 0 H8 G A 1 4.520 -6.437 4.041 1.00 0.00 H new ATOM 0 H1 G A 1 5.336 -0.473 1.786 1.00 0.00 H new ATOM 0 H21 G A 1 8.718 -1.044 2.413 1.00 0.00 H new ATOM 0 H22 G A 1 7.477 0.070 1.830 1.00 0.00 H new ATOM 33 P G A 2 7.362 -4.879 8.782 1.00 0.00 P ATOM 34 OP1 G A 2 8.102 -5.146 10.035 1.00 0.00 O ATOM 35 OP2 G A 2 5.892 -4.720 8.819 1.00 0.00 O ATOM 36 O5' G A 2 7.990 -3.559 8.103 1.00 0.00 O ATOM 37 C5' G A 2 9.384 -3.341 8.095 1.00 0.00 C ATOM 38 C4' G A 2 9.697 -2.032 7.366 1.00 0.00 C ATOM 39 O4' G A 2 9.175 -2.039 6.034 1.00 0.00 O ATOM 40 C3' G A 2 9.073 -0.819 8.031 1.00 0.00 C ATOM 41 O3' G A 2 9.786 -0.391 9.177 1.00 0.00 O ATOM 42 C2' G A 2 9.173 0.171 6.894 1.00 0.00 C ATOM 43 O2' G A 2 10.511 0.593 6.724 1.00 0.00 O ATOM 44 C1' G A 2 8.773 -0.697 5.707 1.00 0.00 C ATOM 45 N9 G A 2 7.302 -0.633 5.537 1.00 0.00 N ATOM 46 C8 G A 2 6.349 -1.555 5.890 1.00 0.00 C ATOM 47 N7 G A 2 5.129 -1.191 5.614 1.00 0.00 N ATOM 48 C5 G A 2 5.277 0.069 5.044 1.00 0.00 C ATOM 49 C6 G A 2 4.288 0.970 4.553 1.00 0.00 C ATOM 50 O6 G A 2 3.070 0.815 4.512 1.00 0.00 O ATOM 51 N1 G A 2 4.857 2.146 4.080 1.00 0.00 N ATOM 52 C2 G A 2 6.208 2.423 4.070 1.00 0.00 C ATOM 53 N2 G A 2 6.575 3.611 3.578 1.00 0.00 N ATOM 54 N3 G A 2 7.140 1.577 4.524 1.00 0.00 N ATOM 55 C4 G A 2 6.604 0.422 4.998 1.00 0.00 C ATOM 0 H5' G A 2 9.889 -4.172 7.603 1.00 0.00 H new ATOM 0 H5'' G A 2 9.761 -3.299 9.117 1.00 0.00 H new ATOM 0 H4' G A 2 10.785 -1.965 7.384 1.00 0.00 H new ATOM 0 H3' G A 2 8.068 -0.981 8.422 1.00 0.00 H new ATOM 0 H2' G A 2 8.573 1.070 7.036 1.00 0.00 H new ATOM 0 HO2' G A 2 10.561 1.233 5.983 1.00 0.00 H new ATOM 0 H1' G A 2 9.241 -0.364 4.781 1.00 0.00 H new ATOM 0 H8 G A 2 6.589 -2.499 6.356 1.00 0.00 H new ATOM 0 H1 G A 2 4.227 2.859 3.712 1.00 0.00 H new ATOM 0 H21 G A 2 7.562 3.867 3.547 1.00 0.00 H new ATOM 0 H22 G A 2 5.868 4.261 3.234 1.00 0.00 H new ATOM 67 P A A 3 9.103 0.611 10.255 1.00 0.00 P ATOM 68 OP1 A A 3 10.105 0.903 11.304 1.00 0.00 O ATOM 69 OP2 A A 3 7.791 0.042 10.634 1.00 0.00 O ATOM 70 O5' A A 3 8.835 1.970 9.427 1.00 0.00 O ATOM 71 C5' A A 3 9.905 2.803 9.037 1.00 0.00 C ATOM 72 C4' A A 3 9.371 4.000 8.245 1.00 0.00 C ATOM 73 O4' A A 3 8.617 3.577 7.107 1.00 0.00 O ATOM 74 C3' A A 3 8.426 4.884 9.034 1.00 0.00 C ATOM 75 O3' A A 3 9.110 5.764 9.905 1.00 0.00 O ATOM 76 C2' A A 3 7.744 5.634 7.926 1.00 0.00 C ATOM 77 O2' A A 3 8.610 6.632 7.428 1.00 0.00 O ATOM 78 C1' A A 3 7.577 4.543 6.873 1.00 0.00 C ATOM 79 N9 A A 3 6.248 3.900 7.017 1.00 0.00 N ATOM 80 C8 A A 3 5.940 2.632 7.442 1.00 0.00 C ATOM 81 N7 A A 3 4.668 2.350 7.395 1.00 0.00 N ATOM 82 C5 A A 3 4.086 3.520 6.921 1.00 0.00 C ATOM 83 C6 A A 3 2.753 3.878 6.652 1.00 0.00 C ATOM 84 N6 A A 3 1.721 3.041 6.816 1.00 0.00 N ATOM 85 N1 A A 3 2.519 5.131 6.221 1.00 0.00 N ATOM 86 C2 A A 3 3.546 5.961 6.059 1.00 0.00 C ATOM 87 N3 A A 3 4.838 5.740 6.261 1.00 0.00 N ATOM 88 C4 A A 3 5.040 4.476 6.701 1.00 0.00 C ATOM 0 H5' A A 3 10.613 2.240 8.429 1.00 0.00 H new ATOM 0 H5'' A A 3 10.447 3.150 9.917 1.00 0.00 H new ATOM 0 H4' A A 3 10.270 4.554 7.974 1.00 0.00 H new ATOM 0 H3' A A 3 7.756 4.332 9.693 1.00 0.00 H new ATOM 0 H2' A A 3 6.817 6.125 8.221 1.00 0.00 H new ATOM 0 HO2' A A 3 9.155 6.987 8.161 1.00 0.00 H new ATOM 0 H1' A A 3 7.644 4.956 5.866 1.00 0.00 H new ATOM 0 H8 A A 3 6.685 1.930 7.785 1.00 0.00 H new ATOM 0 H61 A A 3 0.773 3.353 6.606 1.00 0.00 H new ATOM 0 H62 A A 3 1.883 2.091 7.151 1.00 0.00 H new ATOM 0 H2 A A 3 3.292 6.953 5.715 1.00 0.00 H new ATOM 100 P U A 4 8.755 5.807 11.469 1.00 0.00 P ATOM 101 OP1 U A 4 9.742 6.672 12.153 1.00 0.00 O ATOM 102 OP2 U A 4 8.524 4.425 11.940 1.00 0.00 O ATOM 103 O5' U A 4 7.346 6.580 11.424 1.00 0.00 O ATOM 104 C5' U A 4 7.295 7.951 11.084 1.00 0.00 C ATOM 105 C4' U A 4 5.850 8.372 10.819 1.00 0.00 C ATOM 106 O4' U A 4 5.314 7.671 9.699 1.00 0.00 O ATOM 107 C3' U A 4 4.920 8.059 11.972 1.00 0.00 C ATOM 108 O3' U A 4 5.032 9.007 13.018 1.00 0.00 O ATOM 109 C2' U A 4 3.584 8.136 11.268 1.00 0.00 C ATOM 110 O2' U A 4 3.222 9.488 11.074 1.00 0.00 O ATOM 111 C1' U A 4 3.903 7.520 9.903 1.00 0.00 C ATOM 112 N1 U A 4 3.530 6.084 9.893 1.00 0.00 N ATOM 113 C2 U A 4 2.197 5.785 9.667 1.00 0.00 C ATOM 114 O2 U A 4 1.360 6.664 9.473 1.00 0.00 O ATOM 115 N3 U A 4 1.856 4.442 9.670 1.00 0.00 N ATOM 116 C4 U A 4 2.726 3.385 9.889 1.00 0.00 C ATOM 117 O4 U A 4 2.315 2.228 9.884 1.00 0.00 O ATOM 118 C5 U A 4 4.102 3.786 10.102 1.00 0.00 C ATOM 119 C6 U A 4 4.457 5.093 10.095 1.00 0.00 C ATOM 0 H5' U A 4 7.904 8.137 10.200 1.00 0.00 H new ATOM 0 H5'' U A 4 7.714 8.550 11.892 1.00 0.00 H new ATOM 0 H4' U A 4 5.899 9.448 10.654 1.00 0.00 H new ATOM 0 H3' U A 4 5.115 7.110 12.472 1.00 0.00 H new ATOM 0 H2' U A 4 2.775 7.649 11.813 1.00 0.00 H new ATOM 0 HO2' U A 4 3.903 10.069 11.472 1.00 0.00 H new ATOM 0 H1' U A 4 3.342 8.012 9.109 1.00 0.00 H new ATOM 0 H3 U A 4 0.878 4.210 9.496 1.00 0.00 H new ATOM 0 H5 U A 4 4.856 3.031 10.269 1.00 0.00 H new ATOM 0 H6 U A 4 5.491 5.361 10.252 1.00 0.00 H new ATOM 130 P G A 5 4.292 8.768 14.432 1.00 0.00 P ATOM 131 OP1 G A 5 4.681 9.865 15.346 1.00 0.00 O ATOM 132 OP2 G A 5 4.521 7.363 14.834 1.00 0.00 O ATOM 133 O5' G A 5 2.731 8.940 14.080 1.00 0.00 O ATOM 134 C5' G A 5 2.165 10.222 13.884 1.00 0.00 C ATOM 135 C4' G A 5 0.673 10.071 13.577 1.00 0.00 C ATOM 136 O4' G A 5 0.462 9.300 12.400 1.00 0.00 O ATOM 137 C3' G A 5 -0.052 9.309 14.666 1.00 0.00 C ATOM 138 O3' G A 5 -0.324 10.113 15.804 1.00 0.00 O ATOM 139 C2' G A 5 -1.312 8.919 13.935 1.00 0.00 C ATOM 140 O2' G A 5 -2.236 9.986 13.966 1.00 0.00 O ATOM 141 C1' G A 5 -0.840 8.714 12.501 1.00 0.00 C ATOM 142 N9 G A 5 -0.795 7.272 12.206 1.00 0.00 N ATOM 143 C8 G A 5 0.267 6.415 12.263 1.00 0.00 C ATOM 144 N7 G A 5 -0.030 5.179 11.964 1.00 0.00 N ATOM 145 C5 G A 5 -1.396 5.220 11.696 1.00 0.00 C ATOM 146 C6 G A 5 -2.295 4.175 11.319 1.00 0.00 C ATOM 147 O6 G A 5 -2.056 2.985 11.124 1.00 0.00 O ATOM 148 N1 G A 5 -3.589 4.649 11.174 1.00 0.00 N ATOM 149 C2 G A 5 -3.983 5.955 11.349 1.00 0.00 C ATOM 150 N2 G A 5 -5.279 6.219 11.153 1.00 0.00 N ATOM 151 N3 G A 5 -3.147 6.938 11.694 1.00 0.00 N ATOM 152 C4 G A 5 -1.873 6.499 11.851 1.00 0.00 C ATOM 0 H5' G A 5 2.668 10.733 13.063 1.00 0.00 H new ATOM 0 H5'' G A 5 2.305 10.835 14.774 1.00 0.00 H new ATOM 0 H4' G A 5 0.299 11.090 13.477 1.00 0.00 H new ATOM 0 H3' G A 5 0.513 8.474 15.080 1.00 0.00 H new ATOM 0 H2' G A 5 -1.800 8.045 14.367 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.912 10.682 14.575 1.00 0.00 H new ATOM 0 H1' G A 5 -1.515 9.180 11.783 1.00 0.00 H new ATOM 0 H8 G A 5 1.264 6.732 12.532 1.00 0.00 H new ATOM 0 H1 G A 5 -4.309 3.974 10.916 1.00 0.00 H new ATOM 0 H21 G A 5 -5.629 7.170 11.269 1.00 0.00 H new ATOM 0 H22 G A 5 -5.918 5.469 10.888 1.00 0.00 H new ATOM 164 P U A 6 -0.804 9.445 17.199 1.00 0.00 P ATOM 165 OP1 U A 6 -0.937 10.526 18.201 1.00 0.00 O ATOM 166 OP2 U A 6 0.087 8.297 17.478 1.00 0.00 O ATOM 167 O5' U A 6 -2.281 8.863 16.893 1.00 0.00 O ATOM 168 C5' U A 6 -3.423 9.699 16.922 1.00 0.00 C ATOM 169 C4' U A 6 -4.691 8.860 16.688 1.00 0.00 C ATOM 170 O4' U A 6 -4.697 8.258 15.387 1.00 0.00 O ATOM 171 C3' U A 6 -4.814 7.697 17.660 1.00 0.00 C ATOM 172 O3' U A 6 -5.287 8.072 18.938 1.00 0.00 O ATOM 173 C2' U A 6 -5.830 6.864 16.928 1.00 0.00 C ATOM 174 O2' U A 6 -7.105 7.463 17.034 1.00 0.00 O ATOM 175 C1' U A 6 -5.362 6.982 15.491 1.00 0.00 C ATOM 176 N1 U A 6 -4.420 5.886 15.154 1.00 0.00 N ATOM 177 C2 U A 6 -4.949 4.730 14.596 1.00 0.00 C ATOM 178 O2 U A 6 -6.157 4.573 14.433 1.00 0.00 O ATOM 179 N3 U A 6 -4.037 3.756 14.231 1.00 0.00 N ATOM 180 C4 U A 6 -2.661 3.833 14.371 1.00 0.00 C ATOM 181 O4 U A 6 -1.945 2.896 14.028 1.00 0.00 O ATOM 182 C5 U A 6 -2.197 5.079 14.940 1.00 0.00 C ATOM 183 C6 U A 6 -3.071 6.040 15.313 1.00 0.00 C ATOM 0 H5' U A 6 -3.340 10.470 16.156 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.486 10.210 17.883 1.00 0.00 H new ATOM 0 H4' U A 6 -5.510 9.568 16.817 1.00 0.00 H new ATOM 0 H3' U A 6 -3.865 7.211 17.886 1.00 0.00 H new ATOM 0 H2' U A 6 -5.909 5.843 17.301 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.093 8.132 17.750 1.00 0.00 H new ATOM 0 H1' U A 6 -6.201 6.909 14.799 1.00 0.00 H new ATOM 0 H3 U A 6 -4.413 2.901 13.820 1.00 0.00 H new ATOM 0 H5 U A 6 -1.137 5.244 15.069 1.00 0.00 H new ATOM 0 H6 U A 6 -2.694 6.954 15.748 1.00 0.00 H new ATOM 194 P C A 7 -5.208 7.033 20.178 1.00 0.00 P ATOM 195 OP1 C A 7 -5.890 7.650 21.338 1.00 0.00 O ATOM 196 OP2 C A 7 -3.803 6.589 20.306 1.00 0.00 O ATOM 197 O5' C A 7 -6.089 5.762 19.695 1.00 0.00 O ATOM 198 C5' C A 7 -7.502 5.801 19.713 1.00 0.00 C ATOM 199 C4' C A 7 -8.074 4.453 19.249 1.00 0.00 C ATOM 200 O4' C A 7 -7.670 4.121 17.915 1.00 0.00 O ATOM 201 C3' C A 7 -7.588 3.297 20.097 1.00 0.00 C ATOM 202 O3' C A 7 -8.246 3.231 21.348 1.00 0.00 O ATOM 203 C2' C A 7 -7.954 2.136 19.200 1.00 0.00 C ATOM 204 O2' C A 7 -9.342 1.889 19.280 1.00 0.00 O ATOM 205 C1' C A 7 -7.635 2.681 17.807 1.00 0.00 C ATOM 206 N1 C A 7 -6.292 2.206 17.372 1.00 0.00 N ATOM 207 C2 C A 7 -6.188 0.881 16.957 1.00 0.00 C ATOM 208 O2 C A 7 -7.180 0.156 16.938 1.00 0.00 O ATOM 209 N3 C A 7 -4.965 0.416 16.576 1.00 0.00 N ATOM 210 C4 C A 7 -3.887 1.212 16.606 1.00 0.00 C ATOM 211 N4 C A 7 -2.707 0.717 16.221 1.00 0.00 N ATOM 212 C5 C A 7 -3.979 2.576 17.027 1.00 0.00 C ATOM 213 C6 C A 7 -5.197 3.028 17.392 1.00 0.00 C ATOM 0 H5' C A 7 -7.860 6.600 19.063 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.854 6.027 20.719 1.00 0.00 H new ATOM 0 H4' C A 7 -9.153 4.583 19.325 1.00 0.00 H new ATOM 0 H3' C A 7 -6.535 3.349 20.373 1.00 0.00 H new ATOM 0 H2' C A 7 -7.436 1.211 19.454 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.722 2.396 20.028 1.00 0.00 H new ATOM 0 H1' C A 7 -8.353 2.336 17.063 1.00 0.00 H new ATOM 0 H41 C A 7 -1.876 1.308 16.237 1.00 0.00 H new ATOM 0 H42 C A 7 -2.637 -0.252 15.911 1.00 0.00 H new ATOM 0 H5 C A 7 -3.110 3.217 17.052 1.00 0.00 H new ATOM 0 H6 C A 7 -5.310 4.055 17.705 1.00 0.00 H new ATOM 225 P C A 8 -7.678 2.288 22.530 1.00 0.00 P ATOM 226 OP1 C A 8 -8.580 2.417 23.695 1.00 0.00 O ATOM 227 OP2 C A 8 -6.235 2.575 22.685 1.00 0.00 O ATOM 228 O5' C A 8 -7.826 0.794 21.946 1.00 0.00 O ATOM 229 C5' C A 8 -9.077 0.137 21.925 1.00 0.00 C ATOM 230 C4' C A 8 -8.892 -1.282 21.380 1.00 0.00 C ATOM 231 O4' C A 8 -8.402 -1.273 20.047 1.00 0.00 O ATOM 232 C3' C A 8 -7.850 -2.056 22.155 1.00 0.00 C ATOM 233 O3' C A 8 -8.327 -2.522 23.398 1.00 0.00 O ATOM 234 C2' C A 8 -7.562 -3.180 21.210 1.00 0.00 C ATOM 235 O2' C A 8 -8.577 -4.157 21.305 1.00 0.00 O ATOM 236 C1' C A 8 -7.643 -2.480 19.859 1.00 0.00 C ATOM 237 N1 C A 8 -6.268 -2.167 19.408 1.00 0.00 N ATOM 238 C2 C A 8 -5.562 -3.171 18.752 1.00 0.00 C ATOM 239 O2 C A 8 -6.104 -4.242 18.489 1.00 0.00 O ATOM 240 N3 C A 8 -4.263 -2.933 18.419 1.00 0.00 N ATOM 241 C4 C A 8 -3.677 -1.769 18.728 1.00 0.00 C ATOM 242 N4 C A 8 -2.401 -1.575 18.380 1.00 0.00 N ATOM 243 C5 C A 8 -4.387 -0.740 19.425 1.00 0.00 C ATOM 244 C6 C A 8 -5.674 -0.984 19.737 1.00 0.00 C ATOM 0 H5' C A 8 -9.781 0.689 21.303 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.499 0.101 22.929 1.00 0.00 H new ATOM 0 H4' C A 8 -9.880 -1.737 21.456 1.00 0.00 H new ATOM 0 H3' C A 8 -6.979 -1.462 22.429 1.00 0.00 H new ATOM 0 H2' C A 8 -6.616 -3.689 21.394 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.029 -4.076 22.171 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.616 -3.016 23.857 1.00 0.00 H new ATOM 0 H1' C A 8 -8.123 -3.105 19.106 1.00 0.00 H new ATOM 0 H41 C A 8 -1.939 -0.695 18.607 1.00 0.00 H new ATOM 0 H42 C A 8 -1.890 -2.307 17.887 1.00 0.00 H new ATOM 0 H5 C A 8 -3.911 0.193 19.689 1.00 0.00 H new ATOM 0 H6 C A 8 -6.246 -0.230 20.257 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.607 -9.485 13.471 1.00 0.00 O ATOM 259 C5' G B 9 1.962 -10.736 13.381 1.00 0.00 C ATOM 260 C4' G B 9 0.526 -10.623 13.900 1.00 0.00 C ATOM 261 O4' G B 9 0.495 -10.227 15.269 1.00 0.00 O ATOM 262 C3' G B 9 -0.281 -9.569 13.172 1.00 0.00 C ATOM 263 O3' G B 9 -0.691 -9.986 11.882 1.00 0.00 O ATOM 264 C2' G B 9 -1.438 -9.436 14.132 1.00 0.00 C ATOM 265 O2' G B 9 -2.289 -10.556 14.013 1.00 0.00 O ATOM 266 C1' G B 9 -0.727 -9.501 15.485 1.00 0.00 C ATOM 267 N9 G B 9 -0.425 -8.128 15.944 1.00 0.00 N ATOM 268 C8 G B 9 0.775 -7.463 15.953 1.00 0.00 C ATOM 269 N7 G B 9 0.702 -6.243 16.406 1.00 0.00 N ATOM 270 C5 G B 9 -0.644 -6.082 16.721 1.00 0.00 C ATOM 271 C6 G B 9 -1.331 -4.952 17.253 1.00 0.00 C ATOM 272 O6 G B 9 -0.871 -3.852 17.552 1.00 0.00 O ATOM 273 N1 G B 9 -2.686 -5.210 17.425 1.00 0.00 N ATOM 274 C2 G B 9 -3.308 -6.403 17.122 1.00 0.00 C ATOM 275 N2 G B 9 -4.624 -6.469 17.350 1.00 0.00 N ATOM 276 N3 G B 9 -2.668 -7.464 16.619 1.00 0.00 N ATOM 277 C4 G B 9 -1.341 -7.234 16.445 1.00 0.00 C ATOM 0 H5' G B 9 2.510 -11.479 13.961 1.00 0.00 H new ATOM 0 H5'' G B 9 1.958 -11.079 12.346 1.00 0.00 H new ATOM 0 H4' G B 9 0.103 -11.616 13.745 1.00 0.00 H new ATOM 0 H3' G B 9 0.255 -8.644 12.961 1.00 0.00 H new ATOM 0 H2' G B 9 -2.045 -8.544 13.974 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.038 -10.466 14.639 1.00 0.00 H new ATOM 0 HO5' G B 9 3.525 -9.566 13.139 1.00 0.00 H new ATOM 0 H1' G B 9 -1.343 -9.988 16.241 1.00 0.00 H new ATOM 0 H8 G B 9 1.698 -7.911 15.615 1.00 0.00 H new ATOM 0 H1 G B 9 -3.264 -4.460 17.804 1.00 0.00 H new ATOM 0 H21 G B 9 -5.135 -7.327 17.144 1.00 0.00 H new ATOM 0 H22 G B 9 -5.117 -5.661 17.730 1.00 0.00 H new ATOM 290 P G B 10 -1.310 -8.928 10.827 1.00 0.00 P ATOM 291 OP1 G B 10 -1.599 -9.650 9.568 1.00 0.00 O ATOM 292 OP2 G B 10 -0.426 -7.741 10.804 1.00 0.00 O ATOM 293 O5' G B 10 -2.714 -8.492 11.487 1.00 0.00 O ATOM 294 C5' G B 10 -3.821 -9.367 11.479 1.00 0.00 C ATOM 295 C4' G B 10 -5.004 -8.707 12.192 1.00 0.00 C ATOM 296 O4' G B 10 -4.663 -8.329 13.529 1.00 0.00 O ATOM 297 C3' G B 10 -5.460 -7.425 11.521 1.00 0.00 C ATOM 298 O3' G B 10 -6.242 -7.657 10.363 1.00 0.00 O ATOM 299 C2' G B 10 -6.270 -6.825 12.646 1.00 0.00 C ATOM 300 O2' G B 10 -7.492 -7.520 12.798 1.00 0.00 O ATOM 301 C1' G B 10 -5.379 -7.123 13.847 1.00 0.00 C ATOM 302 N9 G B 10 -4.429 -6.001 14.033 1.00 0.00 N ATOM 303 C8 G B 10 -3.100 -5.928 13.700 1.00 0.00 C ATOM 304 N7 G B 10 -2.542 -4.786 13.987 1.00 0.00 N ATOM 305 C5 G B 10 -3.575 -4.039 14.542 1.00 0.00 C ATOM 306 C6 G B 10 -3.571 -2.702 15.037 1.00 0.00 C ATOM 307 O6 G B 10 -2.631 -1.914 15.093 1.00 0.00 O ATOM 308 N1 G B 10 -4.827 -2.321 15.493 1.00 0.00 N ATOM 309 C2 G B 10 -5.948 -3.123 15.484 1.00 0.00 C ATOM 310 N2 G B 10 -7.076 -2.585 15.961 1.00 0.00 N ATOM 311 N3 G B 10 -5.955 -4.381 15.027 1.00 0.00 N ATOM 312 C4 G B 10 -4.737 -4.772 14.570 1.00 0.00 C ATOM 0 H5' G B 10 -3.561 -10.303 11.974 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.094 -9.615 10.453 1.00 0.00 H new ATOM 0 H4' G B 10 -5.792 -9.459 12.163 1.00 0.00 H new ATOM 0 H3' G B 10 -4.653 -6.798 11.142 1.00 0.00 H new ATOM 0 H2' G B 10 -6.519 -5.774 12.500 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.006 -7.122 13.531 1.00 0.00 H new ATOM 0 H1' G B 10 -5.955 -7.241 14.765 1.00 0.00 H new ATOM 0 H8 G B 10 -2.564 -6.745 13.241 1.00 0.00 H new ATOM 0 H1 G B 10 -4.927 -1.376 15.863 1.00 0.00 H new ATOM 0 H21 G B 10 -7.935 -3.134 15.978 1.00 0.00 H new ATOM 0 H22 G B 10 -7.077 -1.626 16.308 1.00 0.00 H new ATOM 324 P A B 11 -6.499 -6.474 9.283 1.00 0.00 P ATOM 325 OP1 A B 11 -7.376 -7.012 8.219 1.00 0.00 O ATOM 326 OP2 A B 11 -5.187 -5.892 8.926 1.00 0.00 O ATOM 327 O5' A B 11 -7.332 -5.360 10.101 1.00 0.00 O ATOM 328 C5' A B 11 -8.674 -5.586 10.472 1.00 0.00 C ATOM 329 C4' A B 11 -9.204 -4.388 11.265 1.00 0.00 C ATOM 330 O4' A B 11 -8.394 -4.126 12.413 1.00 0.00 O ATOM 331 C3' A B 11 -9.208 -3.090 10.484 1.00 0.00 C ATOM 332 O3' A B 11 -10.309 -2.993 9.602 1.00 0.00 O ATOM 333 C2' A B 11 -9.310 -2.087 11.596 1.00 0.00 C ATOM 334 O2' A B 11 -10.637 -2.050 12.079 1.00 0.00 O ATOM 335 C1' A B 11 -8.406 -2.707 12.655 1.00 0.00 C ATOM 336 N9 A B 11 -7.034 -2.160 12.531 1.00 0.00 N ATOM 337 C8 A B 11 -5.886 -2.784 12.107 1.00 0.00 C ATOM 338 N7 A B 11 -4.821 -2.034 12.172 1.00 0.00 N ATOM 339 C5 A B 11 -5.296 -0.822 12.656 1.00 0.00 C ATOM 340 C6 A B 11 -4.664 0.401 12.944 1.00 0.00 C ATOM 341 N6 A B 11 -3.350 0.602 12.793 1.00 0.00 N ATOM 342 N1 A B 11 -5.436 1.414 13.380 1.00 0.00 N ATOM 343 C2 A B 11 -6.742 1.213 13.529 1.00 0.00 C ATOM 344 N3 A B 11 -7.448 0.112 13.309 1.00 0.00 N ATOM 345 C4 A B 11 -6.647 -0.884 12.864 1.00 0.00 C ATOM 0 H5' A B 11 -8.747 -6.492 11.073 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.285 -5.744 9.583 1.00 0.00 H new ATOM 0 H4' A B 11 -10.223 -4.677 11.523 1.00 0.00 H new ATOM 0 H3' A B 11 -8.341 -2.967 9.834 1.00 0.00 H new ATOM 0 H2' A B 11 -9.040 -1.071 11.309 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.253 -2.316 11.365 1.00 0.00 H new ATOM 0 H1' A B 11 -8.768 -2.484 13.659 1.00 0.00 H new ATOM 0 H8 A B 11 -5.867 -3.804 11.752 1.00 0.00 H new ATOM 0 H61 A B 11 -2.944 1.510 13.017 1.00 0.00 H new ATOM 0 H62 A B 11 -2.754 -0.153 12.454 1.00 0.00 H new ATOM 0 H2 A B 11 -7.307 2.065 13.878 1.00 0.00 H new ATOM 357 P U B 12 -10.087 -2.679 8.045 1.00 0.00 P ATOM 358 OP1 U B 12 -11.382 -2.819 7.345 1.00 0.00 O ATOM 359 OP2 U B 12 -8.902 -3.430 7.575 1.00 0.00 O ATOM 360 O5' U B 12 -9.712 -1.117 8.117 1.00 0.00 O ATOM 361 C5' U B 12 -10.696 -0.163 8.467 1.00 0.00 C ATOM 362 C4' U B 12 -10.039 1.186 8.754 1.00 0.00 C ATOM 363 O4' U B 12 -9.162 1.098 9.874 1.00 0.00 O ATOM 364 C3' U B 12 -9.180 1.682 7.611 1.00 0.00 C ATOM 365 O3' U B 12 -9.953 2.235 6.561 1.00 0.00 O ATOM 366 C2' U B 12 -8.359 2.724 8.332 1.00 0.00 C ATOM 367 O2' U B 12 -9.139 3.882 8.538 1.00 0.00 O ATOM 368 C1' U B 12 -8.113 2.059 9.689 1.00 0.00 C ATOM 369 N1 U B 12 -6.790 1.387 9.697 1.00 0.00 N ATOM 370 C2 U B 12 -5.683 2.184 9.936 1.00 0.00 C ATOM 371 O2 U B 12 -5.784 3.392 10.138 1.00 0.00 O ATOM 372 N3 U B 12 -4.451 1.546 9.936 1.00 0.00 N ATOM 373 C4 U B 12 -4.238 0.195 9.710 1.00 0.00 C ATOM 374 O4 U B 12 -3.101 -0.268 9.719 1.00 0.00 O ATOM 375 C5 U B 12 -5.451 -0.565 9.484 1.00 0.00 C ATOM 376 C6 U B 12 -6.664 0.036 9.487 1.00 0.00 C ATOM 0 H5' U B 12 -11.247 -0.502 9.344 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.418 -0.060 7.657 1.00 0.00 H new ATOM 0 H4' U B 12 -10.871 1.868 8.928 1.00 0.00 H new ATOM 0 H3' U B 12 -8.597 0.911 7.108 1.00 0.00 H new ATOM 0 H2' U B 12 -7.456 3.017 7.797 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.608 4.677 8.322 1.00 0.00 H new ATOM 0 H1' U B 12 -8.113 2.795 10.493 1.00 0.00 H new ATOM 0 H3 U B 12 -3.629 2.122 10.118 1.00 0.00 H new ATOM 0 H5 U B 12 -5.386 -1.629 9.310 1.00 0.00 H new ATOM 0 H6 U B 12 -7.550 -0.559 9.321 1.00 0.00 H new ATOM 387 P G B 13 -9.264 2.670 5.169 1.00 0.00 P ATOM 388 OP1 G B 13 -10.334 3.079 4.233 1.00 0.00 O ATOM 389 OP2 G B 13 -8.313 1.606 4.777 1.00 0.00 O ATOM 390 O5' G B 13 -8.415 3.980 5.563 1.00 0.00 O ATOM 391 C5' G B 13 -9.055 5.222 5.785 1.00 0.00 C ATOM 392 C4' G B 13 -8.005 6.271 6.158 1.00 0.00 C ATOM 393 O4' G B 13 -7.296 5.895 7.334 1.00 0.00 O ATOM 394 C3' G B 13 -6.938 6.405 5.093 1.00 0.00 C ATOM 395 O3' G B 13 -7.373 7.176 3.982 1.00 0.00 O ATOM 396 C2' G B 13 -5.858 7.105 5.880 1.00 0.00 C ATOM 397 O2' G B 13 -6.128 8.489 5.926 1.00 0.00 O ATOM 398 C1' G B 13 -6.012 6.528 7.281 1.00 0.00 C ATOM 399 N9 G B 13 -4.936 5.551 7.527 1.00 0.00 N ATOM 400 C8 G B 13 -4.959 4.194 7.380 1.00 0.00 C ATOM 401 N7 G B 13 -3.825 3.608 7.656 1.00 0.00 N ATOM 402 C5 G B 13 -2.984 4.660 8.005 1.00 0.00 C ATOM 403 C6 G B 13 -1.610 4.652 8.395 1.00 0.00 C ATOM 404 O6 G B 13 -0.854 3.692 8.532 1.00 0.00 O ATOM 405 N1 G B 13 -1.144 5.935 8.632 1.00 0.00 N ATOM 406 C2 G B 13 -1.888 7.086 8.523 1.00 0.00 C ATOM 407 N2 G B 13 -1.258 8.233 8.800 1.00 0.00 N ATOM 408 N3 G B 13 -3.175 7.102 8.165 1.00 0.00 N ATOM 409 C4 G B 13 -3.656 5.856 7.920 1.00 0.00 C ATOM 0 H5' G B 13 -9.791 5.127 6.583 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.594 5.532 4.890 1.00 0.00 H new ATOM 0 H4' G B 13 -8.562 7.199 6.289 1.00 0.00 H new ATOM 0 H3' G B 13 -6.635 5.462 4.638 1.00 0.00 H new ATOM 0 H2' G B 13 -4.864 6.969 5.455 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.809 8.712 5.257 1.00 0.00 H new ATOM 0 H1' G B 13 -5.942 7.302 8.045 1.00 0.00 H new ATOM 0 H8 G B 13 -5.838 3.652 7.063 1.00 0.00 H new ATOM 0 H1 G B 13 -0.168 6.034 8.911 1.00 0.00 H new ATOM 0 H21 G B 13 -1.760 9.119 8.736 1.00 0.00 H new ATOM 0 H22 G B 13 -0.276 8.222 9.075 1.00 0.00 H new ATOM 421 P U B 14 -6.583 7.122 2.568 1.00 0.00 P ATOM 422 OP1 U B 14 -7.320 7.966 1.602 1.00 0.00 O ATOM 423 OP2 U B 14 -6.325 5.701 2.251 1.00 0.00 O ATOM 424 O5' U B 14 -5.160 7.830 2.864 1.00 0.00 O ATOM 425 C5' U B 14 -5.005 9.235 2.786 1.00 0.00 C ATOM 426 C4' U B 14 -3.532 9.610 3.018 1.00 0.00 C ATOM 427 O4' U B 14 -3.080 9.217 4.321 1.00 0.00 O ATOM 428 C3' U B 14 -2.590 8.914 2.048 1.00 0.00 C ATOM 429 O3' U B 14 -2.547 9.518 0.771 1.00 0.00 O ATOM 430 C2' U B 14 -1.287 9.093 2.779 1.00 0.00 C ATOM 431 O2' U B 14 -0.847 10.431 2.664 1.00 0.00 O ATOM 432 C1' U B 14 -1.691 8.839 4.217 1.00 0.00 C ATOM 433 N1 U B 14 -1.518 7.406 4.565 1.00 0.00 N ATOM 434 C2 U B 14 -0.298 7.016 5.100 1.00 0.00 C ATOM 435 O2 U B 14 0.635 7.802 5.249 1.00 0.00 O ATOM 436 N3 U B 14 -0.185 5.684 5.459 1.00 0.00 N ATOM 437 C4 U B 14 -1.170 4.719 5.330 1.00 0.00 C ATOM 438 O4 U B 14 -0.951 3.556 5.658 1.00 0.00 O ATOM 439 C5 U B 14 -2.414 5.217 4.787 1.00 0.00 C ATOM 440 C6 U B 14 -2.544 6.512 4.423 1.00 0.00 C ATOM 0 H5' U B 14 -5.635 9.721 3.530 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.331 9.592 1.809 1.00 0.00 H new ATOM 0 H4' U B 14 -3.506 10.692 2.885 1.00 0.00 H new ATOM 0 H3' U B 14 -2.874 7.886 1.823 1.00 0.00 H new ATOM 0 H2' U B 14 -0.488 8.451 2.408 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.345 10.879 1.948 1.00 0.00 H new ATOM 0 H1' U B 14 -1.071 9.413 4.905 1.00 0.00 H new ATOM 0 H3 U B 14 0.706 5.386 5.855 1.00 0.00 H new ATOM 0 H5 U B 14 -3.251 4.545 4.671 1.00 0.00 H new ATOM 0 H6 U B 14 -3.482 6.850 4.009 1.00 0.00 H new ATOM 451 P C B 15 -1.847 8.754 -0.473 1.00 0.00 P ATOM 452 OP1 C B 15 -1.846 9.673 -1.633 1.00 0.00 O ATOM 453 OP2 C B 15 -2.476 7.421 -0.596 1.00 0.00 O ATOM 454 O5' C B 15 -0.312 8.537 -0.002 1.00 0.00 O ATOM 455 C5' C B 15 0.619 9.601 -0.030 1.00 0.00 C ATOM 456 C4' C B 15 2.003 9.102 0.412 1.00 0.00 C ATOM 457 O4' C B 15 1.993 8.578 1.744 1.00 0.00 O ATOM 458 C3' C B 15 2.504 7.961 -0.447 1.00 0.00 C ATOM 459 O3' C B 15 2.981 8.400 -1.705 1.00 0.00 O ATOM 460 C2' C B 15 3.618 7.436 0.430 1.00 0.00 C ATOM 461 O2' C B 15 4.744 8.283 0.333 1.00 0.00 O ATOM 462 C1' C B 15 3.025 7.570 1.833 1.00 0.00 C ATOM 463 N1 C B 15 2.463 6.264 2.276 1.00 0.00 N ATOM 464 C2 C B 15 3.368 5.279 2.664 1.00 0.00 C ATOM 465 O2 C B 15 4.575 5.507 2.652 1.00 0.00 O ATOM 466 N3 C B 15 2.879 4.069 3.054 1.00 0.00 N ATOM 467 C4 C B 15 1.561 3.829 3.059 1.00 0.00 C ATOM 468 N4 C B 15 1.123 2.629 3.452 1.00 0.00 N ATOM 469 C5 C B 15 0.618 4.831 2.666 1.00 0.00 C ATOM 470 C6 C B 15 1.114 6.030 2.291 1.00 0.00 C ATOM 0 H5' C B 15 0.286 10.404 0.628 1.00 0.00 H new ATOM 0 H5'' C B 15 0.678 10.017 -1.036 1.00 0.00 H new ATOM 0 H4' C B 15 2.641 9.982 0.329 1.00 0.00 H new ATOM 0 H3' C B 15 1.743 7.227 -0.712 1.00 0.00 H new ATOM 0 H2' C B 15 3.937 6.427 0.168 1.00 0.00 H new ATOM 0 HO2' C B 15 4.613 8.919 -0.401 1.00 0.00 H new ATOM 0 H1' C B 15 3.780 7.857 2.565 1.00 0.00 H new ATOM 0 H41 C B 15 0.123 2.429 3.462 1.00 0.00 H new ATOM 0 H42 C B 15 1.789 1.913 3.742 1.00 0.00 H new ATOM 0 H5 C B 15 -0.444 4.637 2.669 1.00 0.00 H new ATOM 0 H6 C B 15 0.435 6.817 1.998 1.00 0.00 H new ATOM 482 P C B 16 3.261 7.346 -2.895 1.00 0.00 P ATOM 483 OP1 C B 16 3.759 8.097 -4.069 1.00 0.00 O ATOM 484 OP2 C B 16 2.065 6.485 -3.030 1.00 0.00 O ATOM 485 O5' C B 16 4.467 6.434 -2.337 1.00 0.00 O ATOM 486 C5' C B 16 5.800 6.901 -2.343 1.00 0.00 C ATOM 487 C4' C B 16 6.724 5.795 -1.825 1.00 0.00 C ATOM 488 O4' C B 16 6.420 5.441 -0.483 1.00 0.00 O ATOM 489 C3' C B 16 6.551 4.507 -2.596 1.00 0.00 C ATOM 490 O3' C B 16 7.173 4.535 -3.863 1.00 0.00 O ATOM 491 C2' C B 16 7.206 3.528 -1.672 1.00 0.00 C ATOM 492 O2' C B 16 8.609 3.613 -1.802 1.00 0.00 O ATOM 493 C1' C B 16 6.784 4.062 -0.308 1.00 0.00 C ATOM 494 N1 C B 16 5.626 3.271 0.168 1.00 0.00 N ATOM 495 C2 C B 16 5.891 2.068 0.815 1.00 0.00 C ATOM 496 O2 C B 16 7.049 1.730 1.050 1.00 0.00 O ATOM 497 N3 C B 16 4.837 1.281 1.171 1.00 0.00 N ATOM 498 C4 C B 16 3.580 1.651 0.892 1.00 0.00 C ATOM 499 N4 C B 16 2.574 0.852 1.261 1.00 0.00 N ATOM 500 C5 C B 16 3.298 2.876 0.204 1.00 0.00 C ATOM 501 C6 C B 16 4.349 3.648 -0.130 1.00 0.00 C ATOM 0 H5' C B 16 5.890 7.789 -1.717 1.00 0.00 H new ATOM 0 H5'' C B 16 6.091 7.192 -3.352 1.00 0.00 H new ATOM 0 H4' C B 16 7.729 6.204 -1.929 1.00 0.00 H new ATOM 0 H3' C B 16 5.513 4.279 -2.837 1.00 0.00 H new ATOM 0 H2' C B 16 6.933 2.488 -1.853 1.00 0.00 H new ATOM 0 HO2' C B 16 8.836 3.924 -2.703 1.00 0.00 H new ATOM 0 HO3' C B 16 7.031 3.678 -4.316 1.00 0.00 H new ATOM 0 H1' C B 16 7.585 3.982 0.427 1.00 0.00 H new ATOM 0 H41 C B 16 1.611 1.118 1.057 1.00 0.00 H new ATOM 0 H42 C B 16 2.770 -0.023 1.747 1.00 0.00 H new ATOM 0 H5 C B 16 2.286 3.167 -0.036 1.00 0.00 H new ATOM 0 H6 C B 16 4.178 4.583 -0.643 1.00 0.00 H new TER 514 C B 16