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= -0.41 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot 180:sc= -0.212 USER MOD Single : A 3 G O2' : rot 180:sc= -0.312 USER MOD Single : A 4 G O2' : rot -26:sc= -0.291 USER MOD Single : A 5 U O2' : rot 180:sc= -0.303 USER MOD Single : A 6 C O2' : rot -20:sc= 0.086 USER MOD Single : A 7 U O2' : rot 180:sc= -0.441 USER MOD Single : A 8 C O2' : rot -35:sc= 0.138 USER MOD Single : A 8 C O3' : rot 180:sc= 0.133 USER MOD Single : B 9 G O2' : rot 180:sc= -0.393 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 A O2' : rot -24:sc= 0.128 USER MOD Single : B 11 G O2' : rot 180:sc= -0.339 USER MOD Single : B 12 G O2' : rot -19:sc= -0.247 USER MOD Single : B 13 U O2' : rot -15:sc= -0.24 USER MOD Single : B 14 C O2' : rot -17:sc= -0.282 USER MOD Single : B 15 U O2' : rot 180:sc= -0.414 USER MOD Single : B 16 C O2' : rot -20:sc= 0.125 USER MOD Single : B 16 C O3' : rot 180:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.824 -10.261 3.232 1.00 0.00 O ATOM 2 C5' G A 1 6.554 -9.233 4.159 1.00 0.00 C ATOM 3 C4' G A 1 7.414 -8.013 3.831 1.00 0.00 C ATOM 4 O4' G A 1 7.062 -7.460 2.564 1.00 0.00 O ATOM 5 C3' G A 1 7.200 -6.887 4.821 1.00 0.00 C ATOM 6 O3' G A 1 7.887 -7.096 6.040 1.00 0.00 O ATOM 7 C2' G A 1 7.775 -5.739 4.033 1.00 0.00 C ATOM 8 O2' G A 1 9.184 -5.815 4.031 1.00 0.00 O ATOM 9 C1' G A 1 7.269 -6.041 2.630 1.00 0.00 C ATOM 10 N9 G A 1 5.990 -5.340 2.412 1.00 0.00 N ATOM 11 C8 G A 1 4.714 -5.797 2.602 1.00 0.00 C ATOM 12 N7 G A 1 3.789 -4.924 2.317 1.00 0.00 N ATOM 13 C5 G A 1 4.504 -3.800 1.916 1.00 0.00 C ATOM 14 C6 G A 1 4.039 -2.521 1.492 1.00 0.00 C ATOM 15 O6 G A 1 2.880 -2.133 1.371 1.00 0.00 O ATOM 16 N1 G A 1 5.095 -1.663 1.202 1.00 0.00 N ATOM 17 C2 G A 1 6.430 -1.991 1.300 1.00 0.00 C ATOM 18 N2 G A 1 7.310 -1.035 0.986 1.00 0.00 N ATOM 19 N3 G A 1 6.869 -3.192 1.689 1.00 0.00 N ATOM 20 C4 G A 1 5.854 -4.044 1.981 1.00 0.00 C ATOM 0 H5' G A 1 6.764 -9.577 5.172 1.00 0.00 H new ATOM 0 H5'' G A 1 5.498 -8.966 4.125 1.00 0.00 H new ATOM 0 H4' G A 1 8.443 -8.373 3.852 1.00 0.00 H new ATOM 0 H3' G A 1 6.167 -6.755 5.144 1.00 0.00 H new ATOM 0 H2' G A 1 7.500 -4.758 4.420 1.00 0.00 H new ATOM 0 HO2' G A 1 9.551 -5.066 3.516 1.00 0.00 H new ATOM 0 HO5' G A 1 6.274 -11.044 3.443 1.00 0.00 H new ATOM 0 H1' G A 1 7.978 -5.713 1.870 1.00 0.00 H new ATOM 0 H8 G A 1 4.493 -6.793 2.957 1.00 0.00 H new ATOM 0 H1 G A 1 4.863 -0.719 0.893 1.00 0.00 H new ATOM 0 H21 G A 1 8.311 -1.225 1.041 1.00 0.00 H new ATOM 0 H22 G A 1 6.981 -0.116 0.691 1.00 0.00 H new ATOM 33 P A A 2 7.552 -6.196 7.339 1.00 0.00 P ATOM 34 OP1 A A 2 8.461 -6.609 8.432 1.00 0.00 O ATOM 35 OP2 A A 2 6.088 -6.232 7.550 1.00 0.00 O ATOM 36 O5' A A 2 7.954 -4.702 6.890 1.00 0.00 O ATOM 37 C5' A A 2 9.307 -4.302 6.812 1.00 0.00 C ATOM 38 C4' A A 2 9.376 -2.847 6.343 1.00 0.00 C ATOM 39 O4' A A 2 8.736 -2.676 5.084 1.00 0.00 O ATOM 40 C3' A A 2 8.645 -1.912 7.281 1.00 0.00 C ATOM 41 O3' A A 2 9.393 -1.637 8.453 1.00 0.00 O ATOM 42 C2' A A 2 8.487 -0.702 6.398 1.00 0.00 C ATOM 43 O2' A A 2 9.710 0.002 6.324 1.00 0.00 O ATOM 44 C1' A A 2 8.203 -1.344 5.040 1.00 0.00 C ATOM 45 N9 A A 2 6.743 -1.382 4.793 1.00 0.00 N ATOM 46 C8 A A 2 5.862 -2.424 4.949 1.00 0.00 C ATOM 47 N7 A A 2 4.628 -2.124 4.647 1.00 0.00 N ATOM 48 C5 A A 2 4.694 -0.788 4.261 1.00 0.00 C ATOM 49 C6 A A 2 3.719 0.129 3.819 1.00 0.00 C ATOM 50 N6 A A 2 2.423 -0.180 3.690 1.00 0.00 N ATOM 51 N1 A A 2 4.126 1.375 3.514 1.00 0.00 N ATOM 52 C2 A A 2 5.413 1.683 3.642 1.00 0.00 C ATOM 53 N3 A A 2 6.420 0.917 4.045 1.00 0.00 N ATOM 54 C4 A A 2 5.980 -0.329 4.344 1.00 0.00 C ATOM 0 H5' A A 2 9.850 -4.946 6.120 1.00 0.00 H new ATOM 0 H5'' A A 2 9.786 -4.406 7.786 1.00 0.00 H new ATOM 0 H4' A A 2 10.440 -2.616 6.298 1.00 0.00 H new ATOM 0 H3' A A 2 7.707 -2.305 7.674 1.00 0.00 H new ATOM 0 H2' A A 2 7.727 0.000 6.741 1.00 0.00 H new ATOM 0 HO2' A A 2 9.601 0.787 5.748 1.00 0.00 H new ATOM 0 H1' A A 2 8.662 -0.772 4.234 1.00 0.00 H new ATOM 0 H8 A A 2 6.163 -3.403 5.291 1.00 0.00 H new ATOM 0 H61 A A 2 1.761 0.524 3.365 1.00 0.00 H new ATOM 0 H62 A A 2 2.098 -1.120 3.916 1.00 0.00 H new ATOM 0 H2 A A 2 5.676 2.698 3.382 1.00 0.00 H new ATOM 66 P G A 3 8.695 -0.970 9.749 1.00 0.00 P ATOM 67 OP1 G A 3 9.732 -0.796 10.791 1.00 0.00 O ATOM 68 OP2 G A 3 7.472 -1.743 10.055 1.00 0.00 O ATOM 69 O5' G A 3 8.247 0.489 9.243 1.00 0.00 O ATOM 70 C5' G A 3 9.188 1.532 9.086 1.00 0.00 C ATOM 71 C4' G A 3 8.461 2.769 8.560 1.00 0.00 C ATOM 72 O4' G A 3 7.821 2.486 7.323 1.00 0.00 O ATOM 73 C3' G A 3 7.358 3.222 9.479 1.00 0.00 C ATOM 74 O3' G A 3 7.856 3.936 10.599 1.00 0.00 O ATOM 75 C2' G A 3 6.594 4.118 8.530 1.00 0.00 C ATOM 76 O2' G A 3 7.247 5.364 8.408 1.00 0.00 O ATOM 77 C1' G A 3 6.712 3.376 7.201 1.00 0.00 C ATOM 78 N9 G A 3 5.464 2.630 6.960 1.00 0.00 N ATOM 79 C8 G A 3 5.187 1.301 7.159 1.00 0.00 C ATOM 80 N7 G A 3 3.952 0.974 6.893 1.00 0.00 N ATOM 81 C5 G A 3 3.368 2.174 6.494 1.00 0.00 C ATOM 82 C6 G A 3 2.029 2.456 6.087 1.00 0.00 C ATOM 83 O6 G A 3 1.082 1.680 5.987 1.00 0.00 O ATOM 84 N1 G A 3 1.862 3.803 5.784 1.00 0.00 N ATOM 85 C2 G A 3 2.854 4.758 5.852 1.00 0.00 C ATOM 86 N2 G A 3 2.519 6.006 5.513 1.00 0.00 N ATOM 87 N3 G A 3 4.106 4.495 6.226 1.00 0.00 N ATOM 88 C4 G A 3 4.290 3.189 6.533 1.00 0.00 C ATOM 0 H5' G A 3 9.974 1.232 8.393 1.00 0.00 H new ATOM 0 H5'' G A 3 9.670 1.753 10.038 1.00 0.00 H new ATOM 0 H4' G A 3 9.229 3.537 8.469 1.00 0.00 H new ATOM 0 H3' G A 3 6.774 2.420 9.931 1.00 0.00 H new ATOM 0 H2' G A 3 5.571 4.310 8.853 1.00 0.00 H new ATOM 0 HO2' G A 3 6.746 5.937 7.791 1.00 0.00 H new ATOM 0 H1' G A 3 6.867 4.056 6.364 1.00 0.00 H new ATOM 0 H8 G A 3 5.924 0.591 7.504 1.00 0.00 H new ATOM 0 H1 G A 3 0.934 4.108 5.489 1.00 0.00 H new ATOM 0 H21 G A 3 3.217 6.749 5.547 1.00 0.00 H new ATOM 0 H22 G A 3 1.565 6.216 5.220 1.00 0.00 H new ATOM 100 P G A 4 6.861 4.472 11.758 1.00 0.00 P ATOM 101 OP1 G A 4 7.690 4.933 12.893 1.00 0.00 O ATOM 102 OP2 G A 4 5.826 3.439 11.981 1.00 0.00 O ATOM 103 O5' G A 4 6.141 5.769 11.109 1.00 0.00 O ATOM 104 C5' G A 4 6.843 6.989 10.944 1.00 0.00 C ATOM 105 C4' G A 4 5.883 8.079 10.445 1.00 0.00 C ATOM 106 O4' G A 4 5.293 7.728 9.190 1.00 0.00 O ATOM 107 C3' G A 4 4.726 8.295 11.403 1.00 0.00 C ATOM 108 O3' G A 4 5.075 9.155 12.471 1.00 0.00 O ATOM 109 C2' G A 4 3.720 8.945 10.484 1.00 0.00 C ATOM 110 O2' G A 4 4.073 10.296 10.268 1.00 0.00 O ATOM 111 C1' G A 4 3.927 8.177 9.190 1.00 0.00 C ATOM 112 N9 G A 4 3.027 7.010 9.127 1.00 0.00 N ATOM 113 C8 G A 4 3.341 5.689 9.270 1.00 0.00 C ATOM 114 N7 G A 4 2.332 4.880 9.105 1.00 0.00 N ATOM 115 C5 G A 4 1.264 5.730 8.834 1.00 0.00 C ATOM 116 C6 G A 4 -0.104 5.426 8.566 1.00 0.00 C ATOM 117 O6 G A 4 -0.642 4.324 8.506 1.00 0.00 O ATOM 118 N1 G A 4 -0.856 6.579 8.363 1.00 0.00 N ATOM 119 C2 G A 4 -0.355 7.863 8.393 1.00 0.00 C ATOM 120 N2 G A 4 -1.230 8.851 8.176 1.00 0.00 N ATOM 121 N3 G A 4 0.930 8.152 8.634 1.00 0.00 N ATOM 122 C4 G A 4 1.679 7.040 8.849 1.00 0.00 C ATOM 0 H5' G A 4 7.658 6.857 10.233 1.00 0.00 H new ATOM 0 H5'' G A 4 7.291 7.292 11.890 1.00 0.00 H new ATOM 0 H4' G A 4 6.492 8.979 10.358 1.00 0.00 H new ATOM 0 H3' G A 4 4.379 7.387 11.895 1.00 0.00 H new ATOM 0 H2' G A 4 2.700 8.926 10.868 1.00 0.00 H new ATOM 0 HO2' G A 4 4.599 10.622 11.028 1.00 0.00 H new ATOM 0 H1' G A 4 3.711 8.812 8.331 1.00 0.00 H new ATOM 0 H8 G A 4 4.338 5.344 9.500 1.00 0.00 H new ATOM 0 H1 G A 4 -1.853 6.466 8.178 1.00 0.00 H new ATOM 0 H21 G A 4 -0.916 9.822 8.186 1.00 0.00 H new ATOM 0 H22 G A 4 -2.211 8.634 8.000 1.00 0.00 H new ATOM 134 P U A 5 4.234 9.150 13.846 1.00 0.00 P ATOM 135 OP1 U A 5 4.657 10.318 14.650 1.00 0.00 O ATOM 136 OP2 U A 5 4.324 7.791 14.425 1.00 0.00 O ATOM 137 O5' U A 5 2.712 9.386 13.375 1.00 0.00 O ATOM 138 C5' U A 5 2.247 10.659 12.984 1.00 0.00 C ATOM 139 C4' U A 5 0.748 10.579 12.650 1.00 0.00 C ATOM 140 O4' U A 5 0.463 9.828 11.462 1.00 0.00 O ATOM 141 C3' U A 5 -0.053 9.938 13.751 1.00 0.00 C ATOM 142 O3' U A 5 -0.277 10.816 14.837 1.00 0.00 O ATOM 143 C2' U A 5 -1.317 9.645 12.986 1.00 0.00 C ATOM 144 O2' U A 5 -2.050 10.833 12.762 1.00 0.00 O ATOM 145 C1' U A 5 -0.785 9.135 11.671 1.00 0.00 C ATOM 146 N1 U A 5 -0.527 7.677 11.740 1.00 0.00 N ATOM 147 C2 U A 5 -1.565 6.800 11.442 1.00 0.00 C ATOM 148 O2 U A 5 -2.702 7.185 11.169 1.00 0.00 O ATOM 149 N3 U A 5 -1.246 5.451 11.468 1.00 0.00 N ATOM 150 C4 U A 5 -0.003 4.912 11.764 1.00 0.00 C ATOM 151 O4 U A 5 0.169 3.696 11.757 1.00 0.00 O ATOM 152 C5 U A 5 1.009 5.899 12.063 1.00 0.00 C ATOM 153 C6 U A 5 0.718 7.220 12.039 1.00 0.00 C ATOM 0 H5' U A 5 2.805 11.011 12.116 1.00 0.00 H new ATOM 0 H5'' U A 5 2.414 11.380 13.784 1.00 0.00 H new ATOM 0 H4' U A 5 0.465 11.622 12.510 1.00 0.00 H new ATOM 0 H3' U A 5 0.417 9.077 14.227 1.00 0.00 H new ATOM 0 H2' U A 5 -1.984 8.955 13.504 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.867 10.624 12.263 1.00 0.00 H new ATOM 0 H1' U A 5 -1.499 9.307 10.866 1.00 0.00 H new ATOM 0 H3 U A 5 -1.995 4.794 11.249 1.00 0.00 H new ATOM 0 H5 U A 5 2.011 5.578 12.309 1.00 0.00 H new ATOM 0 H6 U A 5 1.498 7.933 12.264 1.00 0.00 H new ATOM 164 P C A 6 -0.758 10.247 16.269 1.00 0.00 P ATOM 165 OP1 C A 6 -1.041 11.400 17.154 1.00 0.00 O ATOM 166 OP2 C A 6 0.211 9.214 16.697 1.00 0.00 O ATOM 167 O5' C A 6 -2.149 9.516 15.934 1.00 0.00 O ATOM 168 C5' C A 6 -3.319 10.260 15.684 1.00 0.00 C ATOM 169 C4' C A 6 -4.453 9.305 15.308 1.00 0.00 C ATOM 170 O4' C A 6 -4.148 8.560 14.128 1.00 0.00 O ATOM 171 C3' C A 6 -4.714 8.266 16.378 1.00 0.00 C ATOM 172 O3' C A 6 -5.445 8.776 17.476 1.00 0.00 O ATOM 173 C2' C A 6 -5.525 7.286 15.574 1.00 0.00 C ATOM 174 O2' C A 6 -6.813 7.816 15.344 1.00 0.00 O ATOM 175 C1' C A 6 -4.768 7.271 14.251 1.00 0.00 C ATOM 176 N1 C A 6 -3.742 6.197 14.265 1.00 0.00 N ATOM 177 C2 C A 6 -4.189 4.899 14.072 1.00 0.00 C ATOM 178 O2 C A 6 -5.381 4.682 13.872 1.00 0.00 O ATOM 179 N3 C A 6 -3.280 3.888 14.112 1.00 0.00 N ATOM 180 C4 C A 6 -1.983 4.136 14.336 1.00 0.00 C ATOM 181 N4 C A 6 -1.127 3.110 14.375 1.00 0.00 N ATOM 182 C5 C A 6 -1.502 5.472 14.525 1.00 0.00 C ATOM 183 C6 C A 6 -2.415 6.467 14.475 1.00 0.00 C ATOM 0 H5' C A 6 -3.146 10.973 14.878 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.592 10.838 16.567 1.00 0.00 H new ATOM 0 H4' C A 6 -5.320 9.951 15.168 1.00 0.00 H new ATOM 0 H3' C A 6 -3.817 7.864 16.850 1.00 0.00 H new ATOM 0 H2' C A 6 -5.643 6.312 16.050 1.00 0.00 H new ATOM 0 HO2' C A 6 -7.001 8.517 16.003 1.00 0.00 H new ATOM 0 H1' C A 6 -5.433 7.075 13.410 1.00 0.00 H new ATOM 0 H41 C A 6 -0.135 3.279 14.544 1.00 0.00 H new ATOM 0 H42 C A 6 -1.465 2.158 14.235 1.00 0.00 H new ATOM 0 H5 C A 6 -0.456 5.675 14.700 1.00 0.00 H new ATOM 0 H6 C A 6 -2.094 7.490 14.602 1.00 0.00 H new ATOM 195 P U A 7 -5.496 7.973 18.879 1.00 0.00 P ATOM 196 OP1 U A 7 -6.357 8.732 19.811 1.00 0.00 O ATOM 197 OP2 U A 7 -4.105 7.650 19.265 1.00 0.00 O ATOM 198 O5' U A 7 -6.245 6.588 18.519 1.00 0.00 O ATOM 199 C5' U A 7 -7.648 6.536 18.363 1.00 0.00 C ATOM 200 C4' U A 7 -8.087 5.088 18.128 1.00 0.00 C ATOM 201 O4' U A 7 -7.475 4.525 16.963 1.00 0.00 O ATOM 202 C3' U A 7 -7.677 4.175 19.265 1.00 0.00 C ATOM 203 O3' U A 7 -8.510 4.297 20.402 1.00 0.00 O ATOM 204 C2' U A 7 -7.845 2.841 18.590 1.00 0.00 C ATOM 205 O2' U A 7 -9.218 2.520 18.489 1.00 0.00 O ATOM 206 C1' U A 7 -7.308 3.112 17.194 1.00 0.00 C ATOM 207 N1 U A 7 -5.875 2.719 17.102 1.00 0.00 N ATOM 208 C2 U A 7 -5.599 1.363 16.983 1.00 0.00 C ATOM 209 O2 U A 7 -6.487 0.513 16.962 1.00 0.00 O ATOM 210 N3 U A 7 -4.264 1.013 16.886 1.00 0.00 N ATOM 211 C4 U A 7 -3.190 1.885 16.904 1.00 0.00 C ATOM 212 O4 U A 7 -2.040 1.459 16.828 1.00 0.00 O ATOM 213 C5 U A 7 -3.563 3.281 17.013 1.00 0.00 C ATOM 214 C6 U A 7 -4.865 3.650 17.103 1.00 0.00 C ATOM 0 H5' U A 7 -7.954 7.160 17.523 1.00 0.00 H new ATOM 0 H5'' U A 7 -8.138 6.935 19.251 1.00 0.00 H new ATOM 0 H4' U A 7 -9.171 5.144 18.029 1.00 0.00 H new ATOM 0 H3' U A 7 -6.685 4.377 19.669 1.00 0.00 H new ATOM 0 H2' U A 7 -7.352 2.025 19.117 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.319 1.651 18.048 1.00 0.00 H new ATOM 0 H1' U A 7 -7.841 2.531 16.442 1.00 0.00 H new ATOM 0 H3 U A 7 -4.052 0.020 16.793 1.00 0.00 H new ATOM 0 H5 U A 7 -2.793 4.038 17.023 1.00 0.00 H new ATOM 0 H6 U A 7 -5.113 4.699 17.177 1.00 0.00 H new ATOM 225 P C A 8 -8.097 3.606 21.805 1.00 0.00 P ATOM 226 OP1 C A 8 -9.164 3.890 22.790 1.00 0.00 O ATOM 227 OP2 C A 8 -6.701 3.991 22.107 1.00 0.00 O ATOM 228 O5' C A 8 -8.117 2.022 21.489 1.00 0.00 O ATOM 229 C5' C A 8 -9.336 1.315 21.385 1.00 0.00 C ATOM 230 C4' C A 8 -9.052 -0.167 21.115 1.00 0.00 C ATOM 231 O4' C A 8 -8.315 -0.358 19.913 1.00 0.00 O ATOM 232 C3' C A 8 -8.194 -0.797 22.188 1.00 0.00 C ATOM 233 O3' C A 8 -8.914 -1.067 23.371 1.00 0.00 O ATOM 234 C2' C A 8 -7.769 -2.058 21.494 1.00 0.00 C ATOM 235 O2' C A 8 -8.834 -2.986 21.507 1.00 0.00 O ATOM 236 C1' C A 8 -7.541 -1.562 20.065 1.00 0.00 C ATOM 237 N1 C A 8 -6.093 -1.285 19.862 1.00 0.00 N ATOM 238 C2 C A 8 -5.253 -2.375 19.660 1.00 0.00 C ATOM 239 O2 C A 8 -5.714 -3.514 19.625 1.00 0.00 O ATOM 240 N3 C A 8 -3.918 -2.144 19.505 1.00 0.00 N ATOM 241 C4 C A 8 -3.426 -0.897 19.550 1.00 0.00 C ATOM 242 N4 C A 8 -2.113 -0.713 19.383 1.00 0.00 N ATOM 243 C5 C A 8 -4.278 0.233 19.766 1.00 0.00 C ATOM 244 C6 C A 8 -5.597 -0.013 19.913 1.00 0.00 C ATOM 0 H5' C A 8 -9.942 1.732 20.580 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.910 1.423 22.305 1.00 0.00 H new ATOM 0 H4' C A 8 -10.041 -0.624 21.070 1.00 0.00 H new ATOM 0 H3' C A 8 -7.376 -0.164 22.532 1.00 0.00 H new ATOM 0 H2' C A 8 -6.907 -2.551 21.943 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.337 -2.895 22.343 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.316 -1.475 24.032 1.00 0.00 H new ATOM 0 H1' C A 8 -7.846 -2.305 19.328 1.00 0.00 H new ATOM 0 H41 C A 8 -1.722 0.229 19.414 1.00 0.00 H new ATOM 0 H42 C A 8 -1.502 -1.514 19.224 1.00 0.00 H new ATOM 0 H5 C A 8 -3.883 1.237 19.809 1.00 0.00 H new ATOM 0 H6 C A 8 -6.274 0.813 20.074 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.850 -10.891 17.255 1.00 0.00 O ATOM 259 C5' G B 9 3.152 -10.134 16.290 1.00 0.00 C ATOM 260 C4' G B 9 1.663 -10.110 16.637 1.00 0.00 C ATOM 261 O4' G B 9 1.430 -9.418 17.864 1.00 0.00 O ATOM 262 C3' G B 9 0.857 -9.355 15.599 1.00 0.00 C ATOM 263 O3' G B 9 0.595 -10.131 14.446 1.00 0.00 O ATOM 264 C2' G B 9 -0.395 -9.072 16.388 1.00 0.00 C ATOM 265 O2' G B 9 -1.180 -10.242 16.492 1.00 0.00 O ATOM 266 C1' G B 9 0.170 -8.738 17.760 1.00 0.00 C ATOM 267 N9 G B 9 0.380 -7.281 17.859 1.00 0.00 N ATOM 268 C8 G B 9 1.509 -6.554 17.593 1.00 0.00 C ATOM 269 N7 G B 9 1.371 -5.271 17.781 1.00 0.00 N ATOM 270 C5 G B 9 0.049 -5.135 18.193 1.00 0.00 C ATOM 271 C6 G B 9 -0.688 -3.964 18.537 1.00 0.00 C ATOM 272 O6 G B 9 -0.299 -2.799 18.562 1.00 0.00 O ATOM 273 N1 G B 9 -2.003 -4.267 18.873 1.00 0.00 N ATOM 274 C2 G B 9 -2.544 -5.535 18.883 1.00 0.00 C ATOM 275 N2 G B 9 -3.832 -5.638 19.226 1.00 0.00 N ATOM 276 N3 G B 9 -1.854 -6.636 18.570 1.00 0.00 N ATOM 277 C4 G B 9 -0.569 -6.362 18.234 1.00 0.00 C ATOM 0 H5' G B 9 3.298 -10.565 15.300 1.00 0.00 H new ATOM 0 H5'' G B 9 3.545 -9.118 16.257 1.00 0.00 H new ATOM 0 H4' G B 9 1.361 -11.156 16.694 1.00 0.00 H new ATOM 0 H3' G B 9 1.354 -8.473 15.195 1.00 0.00 H new ATOM 0 H2' G B 9 -1.024 -8.298 15.949 1.00 0.00 H new ATOM 0 HO2' G B 9 -1.990 -10.047 17.007 1.00 0.00 H new ATOM 0 HO5' G B 9 4.804 -10.907 17.031 1.00 0.00 H new ATOM 0 H1' G B 9 -0.508 -9.045 18.557 1.00 0.00 H new ATOM 0 H8 G B 9 2.432 -7.003 17.257 1.00 0.00 H new ATOM 0 H1 G B 9 -2.614 -3.492 19.132 1.00 0.00 H new ATOM 0 H21 G B 9 -4.282 -6.553 19.250 1.00 0.00 H new ATOM 0 H22 G B 9 -4.365 -4.801 19.464 1.00 0.00 H new ATOM 290 P A B 10 0.056 -9.437 13.090 1.00 0.00 P ATOM 291 OP1 A B 10 -0.182 -10.503 12.091 1.00 0.00 O ATOM 292 OP2 A B 10 0.966 -8.317 12.764 1.00 0.00 O ATOM 293 O5' A B 10 -1.370 -8.814 13.510 1.00 0.00 O ATOM 294 C5' A B 10 -2.507 -9.637 13.671 1.00 0.00 C ATOM 295 C4' A B 10 -3.702 -8.773 14.082 1.00 0.00 C ATOM 296 O4' A B 10 -3.441 -8.065 15.289 1.00 0.00 O ATOM 297 C3' A B 10 -4.006 -7.698 13.062 1.00 0.00 C ATOM 298 O3' A B 10 -4.675 -8.211 11.920 1.00 0.00 O ATOM 299 C2' A B 10 -4.883 -6.794 13.885 1.00 0.00 C ATOM 300 O2' A B 10 -6.162 -7.375 14.019 1.00 0.00 O ATOM 301 C1' A B 10 -4.185 -6.838 15.243 1.00 0.00 C ATOM 302 N9 A B 10 -3.272 -5.681 15.384 1.00 0.00 N ATOM 303 C8 A B 10 -1.911 -5.625 15.212 1.00 0.00 C ATOM 304 N7 A B 10 -1.399 -4.443 15.420 1.00 0.00 N ATOM 305 C5 A B 10 -2.498 -3.657 15.754 1.00 0.00 C ATOM 306 C6 A B 10 -2.632 -2.296 16.092 1.00 0.00 C ATOM 307 N6 A B 10 -1.598 -1.447 16.152 1.00 0.00 N ATOM 308 N1 A B 10 -3.868 -1.839 16.368 1.00 0.00 N ATOM 309 C2 A B 10 -4.895 -2.682 16.310 1.00 0.00 C ATOM 310 N3 A B 10 -4.900 -3.974 16.007 1.00 0.00 N ATOM 311 C4 A B 10 -3.644 -4.404 15.735 1.00 0.00 C ATOM 0 H5' A B 10 -2.316 -10.397 14.428 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.725 -10.161 12.741 1.00 0.00 H new ATOM 0 H4' A B 10 -4.531 -9.473 14.185 1.00 0.00 H new ATOM 0 H3' A B 10 -3.129 -7.214 12.633 1.00 0.00 H new ATOM 0 H2' A B 10 -5.011 -5.796 13.466 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.320 -7.992 13.275 1.00 0.00 H new ATOM 0 H1' A B 10 -4.909 -6.791 16.056 1.00 0.00 H new ATOM 0 H8 A B 10 -1.318 -6.482 14.930 1.00 0.00 H new ATOM 0 H61 A B 10 -1.754 -0.471 16.403 1.00 0.00 H new ATOM 0 H62 A B 10 -0.655 -1.777 15.947 1.00 0.00 H new ATOM 0 H2 A B 10 -5.860 -2.256 16.542 1.00 0.00 H new ATOM 323 P G B 11 -4.733 -7.370 10.539 1.00 0.00 P ATOM 324 OP1 G B 11 -5.485 -8.170 9.546 1.00 0.00 O ATOM 325 OP2 G B 11 -3.360 -6.918 10.226 1.00 0.00 O ATOM 326 O5' G B 11 -5.613 -6.073 10.903 1.00 0.00 O ATOM 327 C5' G B 11 -7.025 -6.135 10.963 1.00 0.00 C ATOM 328 C4' G B 11 -7.557 -4.759 11.360 1.00 0.00 C ATOM 329 O4' G B 11 -7.006 -4.351 12.607 1.00 0.00 O ATOM 330 C3' G B 11 -7.162 -3.685 10.383 1.00 0.00 C ATOM 331 O3' G B 11 -7.969 -3.706 9.216 1.00 0.00 O ATOM 332 C2' G B 11 -7.428 -2.464 11.234 1.00 0.00 C ATOM 333 O2' G B 11 -8.812 -2.189 11.271 1.00 0.00 O ATOM 334 C1' G B 11 -6.986 -2.923 12.620 1.00 0.00 C ATOM 335 N9 G B 11 -5.626 -2.417 12.873 1.00 0.00 N ATOM 336 C8 G B 11 -4.419 -3.057 12.760 1.00 0.00 C ATOM 337 N7 G B 11 -3.390 -2.290 12.996 1.00 0.00 N ATOM 338 C5 G B 11 -3.957 -1.050 13.282 1.00 0.00 C ATOM 339 C6 G B 11 -3.338 0.194 13.607 1.00 0.00 C ATOM 340 O6 G B 11 -2.140 0.444 13.720 1.00 0.00 O ATOM 341 N1 G B 11 -4.281 1.197 13.805 1.00 0.00 N ATOM 342 C2 G B 11 -5.646 1.028 13.713 1.00 0.00 C ATOM 343 N2 G B 11 -6.407 2.100 13.946 1.00 0.00 N ATOM 344 N3 G B 11 -6.226 -0.134 13.412 1.00 0.00 N ATOM 345 C4 G B 11 -5.325 -1.125 13.209 1.00 0.00 C ATOM 0 H5' G B 11 -7.340 -6.886 11.688 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.432 -6.434 9.997 1.00 0.00 H new ATOM 0 H4' G B 11 -8.641 -4.867 11.396 1.00 0.00 H new ATOM 0 H3' G B 11 -6.148 -3.765 9.991 1.00 0.00 H new ATOM 0 H2' G B 11 -6.924 -1.569 10.870 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.973 -1.397 11.825 1.00 0.00 H new ATOM 0 H1' G B 11 -7.640 -2.548 13.407 1.00 0.00 H new ATOM 0 H8 G B 11 -4.328 -4.101 12.499 1.00 0.00 H new ATOM 0 H1 G B 11 -3.936 2.129 14.036 1.00 0.00 H new ATOM 0 H21 G B 11 -7.423 2.026 13.890 1.00 0.00 H new ATOM 0 H22 G B 11 -5.973 2.993 14.180 1.00 0.00 H new ATOM 357 P G B 12 -7.701 -2.678 7.994 1.00 0.00 P ATOM 358 OP1 G B 12 -8.518 -3.118 6.842 1.00 0.00 O ATOM 359 OP2 G B 12 -6.237 -2.531 7.839 1.00 0.00 O ATOM 360 O5' G B 12 -8.294 -1.264 8.513 1.00 0.00 O ATOM 361 C5' G B 12 -9.691 -1.043 8.598 1.00 0.00 C ATOM 362 C4' G B 12 -9.965 0.420 8.978 1.00 0.00 C ATOM 363 O4' G B 12 -9.376 0.756 10.237 1.00 0.00 O ATOM 364 C3' G B 12 -9.372 1.385 7.968 1.00 0.00 C ATOM 365 O3' G B 12 -10.220 1.569 6.850 1.00 0.00 O ATOM 366 C2' G B 12 -9.285 2.642 8.800 1.00 0.00 C ATOM 367 O2' G B 12 -10.567 3.223 8.924 1.00 0.00 O ATOM 368 C1' G B 12 -8.867 2.099 10.155 1.00 0.00 C ATOM 369 N9 G B 12 -7.396 2.074 10.276 1.00 0.00 N ATOM 370 C8 G B 12 -6.562 0.994 10.252 1.00 0.00 C ATOM 371 N7 G B 12 -5.305 1.286 10.439 1.00 0.00 N ATOM 372 C5 G B 12 -5.304 2.669 10.599 1.00 0.00 C ATOM 373 C6 G B 12 -4.218 3.563 10.835 1.00 0.00 C ATOM 374 O6 G B 12 -3.026 3.298 10.958 1.00 0.00 O ATOM 375 N1 G B 12 -4.650 4.883 10.918 1.00 0.00 N ATOM 376 C2 G B 12 -5.961 5.293 10.808 1.00 0.00 C ATOM 377 N2 G B 12 -6.188 6.607 10.915 1.00 0.00 N ATOM 378 N3 G B 12 -6.984 4.456 10.596 1.00 0.00 N ATOM 379 C4 G B 12 -6.583 3.162 10.498 1.00 0.00 C ATOM 0 H5' G B 12 -10.129 -1.709 9.341 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.164 -1.275 7.644 1.00 0.00 H new ATOM 0 H4' G B 12 -11.051 0.510 9.014 1.00 0.00 H new ATOM 0 H3' G B 12 -8.428 1.054 7.536 1.00 0.00 H new ATOM 0 H2' G B 12 -8.617 3.396 8.384 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.155 2.872 8.223 1.00 0.00 H new ATOM 0 H1' G B 12 -9.257 2.728 10.955 1.00 0.00 H new ATOM 0 H8 G B 12 -6.913 -0.015 10.092 1.00 0.00 H new ATOM 0 H1 G B 12 -3.943 5.602 11.072 1.00 0.00 H new ATOM 0 H21 G B 12 -7.139 6.968 10.842 1.00 0.00 H new ATOM 0 H22 G B 12 -5.410 7.248 11.070 1.00 0.00 H new ATOM 391 P U B 13 -9.638 2.119 5.451 1.00 0.00 P ATOM 392 OP1 U B 13 -10.782 2.457 4.577 1.00 0.00 O ATOM 393 OP2 U B 13 -8.614 1.161 4.980 1.00 0.00 O ATOM 394 O5' U B 13 -8.887 3.487 5.850 1.00 0.00 O ATOM 395 C5' U B 13 -9.602 4.671 6.130 1.00 0.00 C ATOM 396 C4' U B 13 -8.614 5.813 6.415 1.00 0.00 C ATOM 397 O4' U B 13 -7.889 5.654 7.643 1.00 0.00 O ATOM 398 C3' U B 13 -7.577 5.958 5.334 1.00 0.00 C ATOM 399 O3' U B 13 -8.084 6.604 4.183 1.00 0.00 O ATOM 400 C2' U B 13 -6.579 6.812 6.072 1.00 0.00 C ATOM 401 O2' U B 13 -7.049 8.141 6.185 1.00 0.00 O ATOM 402 C1' U B 13 -6.560 6.176 7.439 1.00 0.00 C ATOM 403 N1 U B 13 -5.585 5.060 7.484 1.00 0.00 N ATOM 404 C2 U B 13 -4.261 5.343 7.803 1.00 0.00 C ATOM 405 O2 U B 13 -3.856 6.488 8.002 1.00 0.00 O ATOM 406 N3 U B 13 -3.411 4.251 7.888 1.00 0.00 N ATOM 407 C4 U B 13 -3.763 2.925 7.684 1.00 0.00 C ATOM 408 O4 U B 13 -2.926 2.033 7.787 1.00 0.00 O ATOM 409 C5 U B 13 -5.156 2.731 7.354 1.00 0.00 C ATOM 410 C6 U B 13 -6.001 3.784 7.270 1.00 0.00 C ATOM 0 H5' U B 13 -10.256 4.519 6.989 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.240 4.931 5.286 1.00 0.00 H new ATOM 0 H4' U B 13 -9.255 6.693 6.471 1.00 0.00 H new ATOM 0 H3' U B 13 -7.188 5.021 4.936 1.00 0.00 H new ATOM 0 H2' U B 13 -5.607 6.860 5.581 1.00 0.00 H new ATOM 0 HO2' U B 13 -7.790 8.280 5.559 1.00 0.00 H new ATOM 0 H1' U B 13 -6.272 6.897 8.204 1.00 0.00 H new ATOM 0 H3 U B 13 -2.436 4.440 8.122 1.00 0.00 H new ATOM 0 H5 U B 13 -5.527 1.733 7.172 1.00 0.00 H new ATOM 0 H6 U B 13 -7.038 3.605 7.025 1.00 0.00 H new ATOM 421 P C B 14 -7.296 6.521 2.777 1.00 0.00 P ATOM 422 OP1 C B 14 -7.984 7.402 1.808 1.00 0.00 O ATOM 423 OP2 C B 14 -7.090 5.092 2.455 1.00 0.00 O ATOM 424 O5' C B 14 -5.863 7.165 3.114 1.00 0.00 O ATOM 425 C5' C B 14 -5.710 8.557 3.272 1.00 0.00 C ATOM 426 C4' C B 14 -4.266 8.864 3.670 1.00 0.00 C ATOM 427 O4' C B 14 -3.915 8.248 4.909 1.00 0.00 O ATOM 428 C3' C B 14 -3.266 8.336 2.662 1.00 0.00 C ATOM 429 O3' C B 14 -3.163 9.156 1.515 1.00 0.00 O ATOM 430 C2' C B 14 -2.012 8.374 3.498 1.00 0.00 C ATOM 431 O2' C B 14 -1.557 9.706 3.628 1.00 0.00 O ATOM 432 C1' C B 14 -2.524 7.897 4.852 1.00 0.00 C ATOM 433 N1 C B 14 -2.348 6.427 4.963 1.00 0.00 N ATOM 434 C2 C B 14 -1.069 5.968 5.239 1.00 0.00 C ATOM 435 O2 C B 14 -0.154 6.766 5.423 1.00 0.00 O ATOM 436 N3 C B 14 -0.861 4.625 5.296 1.00 0.00 N ATOM 437 C4 C B 14 -1.864 3.763 5.086 1.00 0.00 C ATOM 438 N4 C B 14 -1.610 2.452 5.142 1.00 0.00 N ATOM 439 C5 C B 14 -3.194 4.220 4.812 1.00 0.00 C ATOM 440 C6 C B 14 -3.387 5.557 4.767 1.00 0.00 C ATOM 0 H5' C B 14 -6.396 8.926 4.035 1.00 0.00 H new ATOM 0 H5'' C B 14 -5.960 9.070 2.343 1.00 0.00 H new ATOM 0 H4' C B 14 -4.223 9.951 3.734 1.00 0.00 H new ATOM 0 H3' C B 14 -3.516 7.361 2.244 1.00 0.00 H new ATOM 0 H2' C B 14 -1.191 7.788 3.085 1.00 0.00 H new ATOM 0 HO2' C B 14 -1.976 10.264 2.940 1.00 0.00 H new ATOM 0 H1' C B 14 -1.977 8.357 5.675 1.00 0.00 H new ATOM 0 H41 C B 14 -2.361 1.780 4.985 1.00 0.00 H new ATOM 0 H42 C B 14 -0.665 2.124 5.342 1.00 0.00 H new ATOM 0 H5 C B 14 -4.006 3.527 4.649 1.00 0.00 H new ATOM 0 H6 C B 14 -4.376 5.945 4.573 1.00 0.00 H new ATOM 452 P U B 15 -2.448 8.610 0.174 1.00 0.00 P ATOM 453 OP1 U B 15 -2.449 9.703 -0.824 1.00 0.00 O ATOM 454 OP2 U B 15 -3.060 7.307 -0.167 1.00 0.00 O ATOM 455 O5' U B 15 -0.923 8.340 0.621 1.00 0.00 O ATOM 456 C5' U B 15 -0.017 9.408 0.807 1.00 0.00 C ATOM 457 C4' U B 15 1.370 8.850 1.138 1.00 0.00 C ATOM 458 O4' U B 15 1.360 8.068 2.337 1.00 0.00 O ATOM 459 C3' U B 15 1.876 7.907 0.067 1.00 0.00 C ATOM 460 O3' U B 15 2.350 8.576 -1.087 1.00 0.00 O ATOM 461 C2' U B 15 2.990 7.245 0.827 1.00 0.00 C ATOM 462 O2' U B 15 4.085 8.131 0.936 1.00 0.00 O ATOM 463 C1' U B 15 2.382 7.061 2.208 1.00 0.00 C ATOM 464 N1 U B 15 1.810 5.694 2.350 1.00 0.00 N ATOM 465 C2 U B 15 2.704 4.656 2.578 1.00 0.00 C ATOM 466 O2 U B 15 3.918 4.841 2.642 1.00 0.00 O ATOM 467 N3 U B 15 2.156 3.395 2.732 1.00 0.00 N ATOM 468 C4 U B 15 0.810 3.080 2.676 1.00 0.00 C ATOM 469 O4 U B 15 0.437 1.917 2.816 1.00 0.00 O ATOM 470 C5 U B 15 -0.056 4.219 2.449 1.00 0.00 C ATOM 471 C6 U B 15 0.456 5.465 2.299 1.00 0.00 C ATOM 0 H5' U B 15 -0.362 10.055 1.613 1.00 0.00 H new ATOM 0 H5'' U B 15 0.031 10.019 -0.094 1.00 0.00 H new ATOM 0 H4' U B 15 2.004 9.732 1.232 1.00 0.00 H new ATOM 0 H3' U B 15 1.118 7.238 -0.340 1.00 0.00 H new ATOM 0 H2' U B 15 3.346 6.326 0.361 1.00 0.00 H new ATOM 0 HO2' U B 15 4.809 7.696 1.433 1.00 0.00 H new ATOM 0 H1' U B 15 3.133 7.167 2.991 1.00 0.00 H new ATOM 0 H3 U B 15 2.804 2.626 2.903 1.00 0.00 H new ATOM 0 H5 U B 15 -1.125 4.073 2.399 1.00 0.00 H new ATOM 0 H6 U B 15 -0.215 6.296 2.136 1.00 0.00 H new ATOM 482 P C B 16 2.720 7.747 -2.426 1.00 0.00 P ATOM 483 OP1 C B 16 3.184 8.709 -3.450 1.00 0.00 O ATOM 484 OP2 C B 16 1.586 6.845 -2.729 1.00 0.00 O ATOM 485 O5' C B 16 3.979 6.833 -1.991 1.00 0.00 O ATOM 486 C5' C B 16 5.271 7.389 -1.855 1.00 0.00 C ATOM 487 C4' C B 16 6.265 6.295 -1.451 1.00 0.00 C ATOM 488 O4' C B 16 5.902 5.671 -0.223 1.00 0.00 O ATOM 489 C3' C B 16 6.318 5.160 -2.449 1.00 0.00 C ATOM 490 O3' C B 16 7.029 5.497 -3.621 1.00 0.00 O ATOM 491 C2' C B 16 7.032 4.117 -1.637 1.00 0.00 C ATOM 492 O2' C B 16 8.410 4.421 -1.572 1.00 0.00 O ATOM 493 C1' C B 16 6.403 4.321 -0.258 1.00 0.00 C ATOM 494 N1 C B 16 5.297 3.344 -0.067 1.00 0.00 N ATOM 495 C2 C B 16 5.644 2.039 0.264 1.00 0.00 C ATOM 496 O2 C B 16 6.825 1.731 0.411 1.00 0.00 O ATOM 497 N3 C B 16 4.645 1.123 0.416 1.00 0.00 N ATOM 498 C4 C B 16 3.361 1.471 0.248 1.00 0.00 C ATOM 499 N4 C B 16 2.412 0.545 0.417 1.00 0.00 N ATOM 500 C5 C B 16 2.991 2.808 -0.103 1.00 0.00 C ATOM 501 C6 C B 16 3.991 3.703 -0.245 1.00 0.00 C ATOM 0 H5' C B 16 5.260 8.179 -1.104 1.00 0.00 H new ATOM 0 H5'' C B 16 5.581 7.846 -2.794 1.00 0.00 H new ATOM 0 H4' C B 16 7.220 6.817 -1.383 1.00 0.00 H new ATOM 0 H3' C B 16 5.344 4.855 -2.831 1.00 0.00 H new ATOM 0 H2' C B 16 6.946 3.105 -2.032 1.00 0.00 H new ATOM 0 HO2' C B 16 8.646 5.029 -2.304 1.00 0.00 H new ATOM 0 HO3' C B 16 7.035 4.730 -4.232 1.00 0.00 H new ATOM 0 H1' C B 16 7.128 4.164 0.541 1.00 0.00 H new ATOM 0 H41 C B 16 1.430 0.792 0.293 1.00 0.00 H new ATOM 0 H42 C B 16 2.670 -0.409 0.670 1.00 0.00 H new ATOM 0 H5 C B 16 1.958 3.088 -0.248 1.00 0.00 H new ATOM 0 H6 C B 16 3.754 4.724 -0.505 1.00 0.00 H new TER 514 C B 16