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= -0.494 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.51 USER MOD Single : A 3 A O2' : rot -12:sc= -0.957 USER MOD Single : A 4 G O2' : rot -17:sc= -0.653 USER MOD Single : A 5 U O2' : rot 1:sc= 0.101 USER MOD Single : A 6 U O2' : rot -74:sc= 0.743 USER MOD Single : A 7 C O2' : rot -15:sc= -0.293 USER MOD Single : A 8 C O2' : rot -17:sc= 0.189 USER MOD Single : A 8 C O3' : rot 180:sc= 0.202 USER MOD Single : B 9 G O2' : rot 180:sc= -0.492 USER MOD Single : B 9 G O5' : rot 180:sc= -0.0113 USER MOD Single : B 10 G O2' : rot 180:sc= -0.516 USER MOD Single : B 11 A O2' : rot -10:sc= -0.905 USER MOD Single : B 12 G O2' : rot -26:sc= -0.531 USER MOD Single : B 13 U O2' : rot -10:sc= 0.143 USER MOD Single : B 14 U O2' : rot -13:sc= -0.469 USER MOD Single : B 15 C O2' : rot -9:sc= -0.473 USER MOD Single : B 16 C O2' : rot -23:sc= 0.194 USER MOD Single : B 16 C O3' : rot 180:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 4.766 -8.159 4.407 1.00 0.00 O ATOM 2 C5' G A 1 6.132 -8.483 4.281 1.00 0.00 C ATOM 3 C4' G A 1 6.929 -7.245 3.864 1.00 0.00 C ATOM 4 O4' G A 1 6.488 -6.736 2.605 1.00 0.00 O ATOM 5 C3' G A 1 6.769 -6.088 4.830 1.00 0.00 C ATOM 6 O3' G A 1 7.533 -6.242 6.009 1.00 0.00 O ATOM 7 C2' G A 1 7.279 -4.961 3.971 1.00 0.00 C ATOM 8 O2' G A 1 8.688 -5.018 3.881 1.00 0.00 O ATOM 9 C1' G A 1 6.692 -5.311 2.612 1.00 0.00 C ATOM 10 N9 G A 1 5.406 -4.606 2.429 1.00 0.00 N ATOM 11 C8 G A 1 4.128 -5.079 2.581 1.00 0.00 C ATOM 12 N7 G A 1 3.203 -4.192 2.341 1.00 0.00 N ATOM 13 C5 G A 1 3.917 -3.045 2.006 1.00 0.00 C ATOM 14 C6 G A 1 3.451 -1.748 1.644 1.00 0.00 C ATOM 15 O6 G A 1 2.291 -1.354 1.548 1.00 0.00 O ATOM 16 N1 G A 1 4.505 -0.879 1.380 1.00 0.00 N ATOM 17 C2 G A 1 5.840 -1.211 1.459 1.00 0.00 C ATOM 18 N2 G A 1 6.718 -0.242 1.180 1.00 0.00 N ATOM 19 N3 G A 1 6.281 -2.427 1.797 1.00 0.00 N ATOM 20 C4 G A 1 5.268 -3.291 2.057 1.00 0.00 C ATOM 0 H5' G A 1 6.260 -9.274 3.541 1.00 0.00 H new ATOM 0 H5'' G A 1 6.511 -8.868 5.228 1.00 0.00 H new ATOM 0 H4' G A 1 7.963 -7.589 3.833 1.00 0.00 H new ATOM 0 H3' G A 1 5.757 -5.961 5.214 1.00 0.00 H new ATOM 0 H2' G A 1 7.014 -3.972 4.346 1.00 0.00 H new ATOM 0 HO2' G A 1 9.010 -4.282 3.320 1.00 0.00 H new ATOM 0 HO5' G A 1 4.264 -8.957 4.672 1.00 0.00 H new ATOM 0 H1' G A 1 7.356 -5.011 1.801 1.00 0.00 H new ATOM 0 H8 G A 1 3.907 -6.095 2.873 1.00 0.00 H new ATOM 0 H1 G A 1 4.272 0.076 1.107 1.00 0.00 H new ATOM 0 H21 G A 1 7.719 -0.433 1.223 1.00 0.00 H new ATOM 0 H22 G A 1 6.387 0.688 0.924 1.00 0.00 H new ATOM 33 P G A 2 7.333 -5.235 7.258 1.00 0.00 P ATOM 34 OP1 G A 2 8.223 -5.679 8.353 1.00 0.00 O ATOM 35 OP2 G A 2 5.880 -5.101 7.503 1.00 0.00 O ATOM 36 O5' G A 2 7.880 -3.816 6.712 1.00 0.00 O ATOM 37 C5' G A 2 9.265 -3.579 6.573 1.00 0.00 C ATOM 38 C4' G A 2 9.515 -2.139 6.106 1.00 0.00 C ATOM 39 O4' G A 2 8.934 -1.862 4.829 1.00 0.00 O ATOM 40 C3' G A 2 8.928 -1.108 7.046 1.00 0.00 C ATOM 41 O3' G A 2 9.705 -0.917 8.212 1.00 0.00 O ATOM 42 C2' G A 2 8.955 0.100 6.151 1.00 0.00 C ATOM 43 O2' G A 2 10.280 0.566 5.993 1.00 0.00 O ATOM 44 C1' G A 2 8.486 -0.491 4.839 1.00 0.00 C ATOM 45 N9 G A 2 7.016 -0.465 4.743 1.00 0.00 N ATOM 46 C8 G A 2 6.138 -1.489 4.949 1.00 0.00 C ATOM 47 N7 G A 2 4.891 -1.174 4.729 1.00 0.00 N ATOM 48 C5 G A 2 4.948 0.163 4.343 1.00 0.00 C ATOM 49 C6 G A 2 3.901 1.052 3.956 1.00 0.00 C ATOM 50 O6 G A 2 2.695 0.826 3.887 1.00 0.00 O ATOM 51 N1 G A 2 4.392 2.311 3.629 1.00 0.00 N ATOM 52 C2 G A 2 5.722 2.673 3.658 1.00 0.00 C ATOM 53 N2 G A 2 6.011 3.931 3.309 1.00 0.00 N ATOM 54 N3 G A 2 6.709 1.840 4.014 1.00 0.00 N ATOM 55 C4 G A 2 6.249 0.605 4.344 1.00 0.00 C ATOM 0 H5' G A 2 9.691 -4.280 5.855 1.00 0.00 H new ATOM 0 H5'' G A 2 9.768 -3.752 7.524 1.00 0.00 H new ATOM 0 H4' G A 2 10.602 -2.067 6.069 1.00 0.00 H new ATOM 0 H3' G A 2 7.949 -1.372 7.447 1.00 0.00 H new ATOM 0 H2' G A 2 8.364 0.937 6.523 1.00 0.00 H new ATOM 0 HO2' G A 2 10.283 1.352 5.407 1.00 0.00 H new ATOM 0 H1' G A 2 8.884 0.081 4.001 1.00 0.00 H new ATOM 0 H8 G A 2 6.448 -2.474 5.266 1.00 0.00 H new ATOM 0 H1 G A 2 3.717 3.021 3.346 1.00 0.00 H new ATOM 0 H21 G A 2 6.979 4.252 3.313 1.00 0.00 H new ATOM 0 H22 G A 2 5.263 4.570 3.039 1.00 0.00 H new ATOM 67 P A A 3 9.104 -0.112 9.479 1.00 0.00 P ATOM 68 OP1 A A 3 10.175 0.015 10.492 1.00 0.00 O ATOM 69 OP2 A A 3 7.817 -0.742 9.847 1.00 0.00 O ATOM 70 O5' A A 3 8.787 1.359 8.895 1.00 0.00 O ATOM 71 C5' A A 3 9.826 2.281 8.641 1.00 0.00 C ATOM 72 C4' A A 3 9.234 3.593 8.115 1.00 0.00 C ATOM 73 O4' A A 3 8.523 3.419 6.895 1.00 0.00 O ATOM 74 C3' A A 3 8.254 4.216 9.085 1.00 0.00 C ATOM 75 O3' A A 3 8.912 4.888 10.143 1.00 0.00 O ATOM 76 C2' A A 3 7.543 5.180 8.166 1.00 0.00 C ATOM 77 O2' A A 3 8.382 6.283 7.898 1.00 0.00 O ATOM 78 C1' A A 3 7.438 4.360 6.876 1.00 0.00 C ATOM 79 N9 A A 3 6.182 3.606 6.851 1.00 0.00 N ATOM 80 C8 A A 3 5.992 2.280 7.105 1.00 0.00 C ATOM 81 N7 A A 3 4.755 1.887 6.981 1.00 0.00 N ATOM 82 C5 A A 3 4.080 3.044 6.602 1.00 0.00 C ATOM 83 C6 A A 3 2.735 3.306 6.292 1.00 0.00 C ATOM 84 N6 A A 3 1.776 2.374 6.338 1.00 0.00 N ATOM 85 N1 A A 3 2.412 4.560 5.924 1.00 0.00 N ATOM 86 C2 A A 3 3.365 5.486 5.875 1.00 0.00 C ATOM 87 N3 A A 3 4.657 5.368 6.146 1.00 0.00 N ATOM 88 C4 A A 3 4.949 4.097 6.510 1.00 0.00 C ATOM 0 H5' A A 3 10.523 1.867 7.912 1.00 0.00 H new ATOM 0 H5'' A A 3 10.392 2.466 9.554 1.00 0.00 H new ATOM 0 H4' A A 3 10.101 4.238 7.971 1.00 0.00 H new ATOM 0 H3' A A 3 7.604 3.505 9.594 1.00 0.00 H new ATOM 0 H2' A A 3 6.600 5.551 8.566 1.00 0.00 H new ATOM 0 HO2' A A 3 9.144 6.272 8.514 1.00 0.00 H new ATOM 0 H1' A A 3 7.473 5.018 6.007 1.00 0.00 H new ATOM 0 H8 A A 3 6.795 1.614 7.384 1.00 0.00 H new ATOM 0 H61 A A 3 0.814 2.620 6.102 1.00 0.00 H new ATOM 0 H62 A A 3 2.007 1.418 6.609 1.00 0.00 H new ATOM 0 H2 A A 3 3.041 6.471 5.572 1.00 0.00 H new ATOM 100 P G A 4 8.112 5.316 11.474 1.00 0.00 P ATOM 101 OP1 G A 4 9.018 6.130 12.315 1.00 0.00 O ATOM 102 OP2 G A 4 7.484 4.101 12.038 1.00 0.00 O ATOM 103 O5' G A 4 6.939 6.272 10.929 1.00 0.00 O ATOM 104 C5' G A 4 7.208 7.587 10.485 1.00 0.00 C ATOM 105 C4' G A 4 5.911 8.240 10.066 1.00 0.00 C ATOM 106 O4' G A 4 5.329 7.551 8.973 1.00 0.00 O ATOM 107 C3' G A 4 4.885 8.188 11.148 1.00 0.00 C ATOM 108 O3' G A 4 5.135 9.140 12.166 1.00 0.00 O ATOM 109 C2' G A 4 3.674 8.542 10.330 1.00 0.00 C ATOM 110 O2' G A 4 3.683 9.921 10.013 1.00 0.00 O ATOM 111 C1' G A 4 3.924 7.754 9.057 1.00 0.00 C ATOM 112 N9 G A 4 3.214 6.460 9.088 1.00 0.00 N ATOM 113 C8 G A 4 3.716 5.202 9.295 1.00 0.00 C ATOM 114 N7 G A 4 2.819 4.255 9.217 1.00 0.00 N ATOM 115 C5 G A 4 1.635 4.936 8.944 1.00 0.00 C ATOM 116 C6 G A 4 0.307 4.442 8.752 1.00 0.00 C ATOM 117 O6 G A 4 -0.096 3.279 8.771 1.00 0.00 O ATOM 118 N1 G A 4 -0.589 5.475 8.523 1.00 0.00 N ATOM 119 C2 G A 4 -0.267 6.811 8.466 1.00 0.00 C ATOM 120 N2 G A 4 -1.273 7.659 8.230 1.00 0.00 N ATOM 121 N3 G A 4 0.973 7.278 8.631 1.00 0.00 N ATOM 122 C4 G A 4 1.870 6.289 8.870 1.00 0.00 C ATOM 0 H5' G A 4 7.907 7.566 9.648 1.00 0.00 H new ATOM 0 H5'' G A 4 7.680 8.164 11.280 1.00 0.00 H new ATOM 0 H4' G A 4 6.170 9.269 9.817 1.00 0.00 H new ATOM 0 H3' G A 4 4.826 7.248 11.697 1.00 0.00 H new ATOM 0 H2' G A 4 2.730 8.329 10.832 1.00 0.00 H new ATOM 0 HO2' G A 4 4.304 10.390 10.609 1.00 0.00 H new ATOM 0 H1' G A 4 3.552 8.297 8.188 1.00 0.00 H new ATOM 0 H8 G A 4 4.758 5.011 9.504 1.00 0.00 H new ATOM 0 H1 G A 4 -1.568 5.223 8.385 1.00 0.00 H new ATOM 0 H21 G A 4 -1.093 8.662 8.177 1.00 0.00 H new ATOM 0 H22 G A 4 -2.221 7.303 8.103 1.00 0.00 H new ATOM 134 P U A 5 4.410 9.035 13.602 1.00 0.00 P ATOM 135 OP1 U A 5 4.684 10.281 14.351 1.00 0.00 O ATOM 136 OP2 U A 5 4.767 7.728 14.196 1.00 0.00 O ATOM 137 O5' U A 5 2.843 9.001 13.240 1.00 0.00 O ATOM 138 C5' U A 5 2.155 10.158 12.813 1.00 0.00 C ATOM 139 C4' U A 5 0.700 9.779 12.525 1.00 0.00 C ATOM 140 O4' U A 5 0.611 8.782 11.512 1.00 0.00 O ATOM 141 C3' U A 5 0.045 9.188 13.760 1.00 0.00 C ATOM 142 O3' U A 5 -0.483 10.192 14.616 1.00 0.00 O ATOM 143 C2' U A 5 -1.030 8.333 13.174 1.00 0.00 C ATOM 144 O2' U A 5 -2.175 9.116 12.908 1.00 0.00 O ATOM 145 C1' U A 5 -0.438 7.871 11.859 1.00 0.00 C ATOM 146 N1 U A 5 0.088 6.490 11.939 1.00 0.00 N ATOM 147 C2 U A 5 -0.809 5.456 11.727 1.00 0.00 C ATOM 148 O2 U A 5 -2.003 5.662 11.531 1.00 0.00 O ATOM 149 N3 U A 5 -0.286 4.172 11.745 1.00 0.00 N ATOM 150 C4 U A 5 1.055 3.848 11.915 1.00 0.00 C ATOM 151 O4 U A 5 1.419 2.675 11.923 1.00 0.00 O ATOM 152 C5 U A 5 1.924 5.001 12.063 1.00 0.00 C ATOM 153 C6 U A 5 1.425 6.249 12.074 1.00 0.00 C ATOM 0 H5' U A 5 2.624 10.569 11.919 1.00 0.00 H new ATOM 0 H5'' U A 5 2.200 10.931 13.580 1.00 0.00 H new ATOM 0 H4' U A 5 0.203 10.696 12.209 1.00 0.00 H new ATOM 0 H3' U A 5 0.739 8.638 14.395 1.00 0.00 H new ATOM 0 H2' U A 5 -1.328 7.518 13.833 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.998 10.048 13.152 1.00 0.00 H new ATOM 0 H1' U A 5 -1.218 7.862 11.098 1.00 0.00 H new ATOM 0 H3 U A 5 -0.941 3.400 11.623 1.00 0.00 H new ATOM 0 H5 U A 5 2.989 4.854 12.166 1.00 0.00 H new ATOM 0 H6 U A 5 2.100 7.084 12.193 1.00 0.00 H new ATOM 164 P U A 6 -1.054 9.825 16.087 1.00 0.00 P ATOM 165 OP1 U A 6 -1.307 11.093 16.806 1.00 0.00 O ATOM 166 OP2 U A 6 -0.149 8.817 16.682 1.00 0.00 O ATOM 167 O5' U A 6 -2.485 9.111 15.819 1.00 0.00 O ATOM 168 C5' U A 6 -3.658 9.871 15.555 1.00 0.00 C ATOM 169 C4' U A 6 -4.884 8.938 15.557 1.00 0.00 C ATOM 170 O4' U A 6 -4.813 7.983 14.509 1.00 0.00 O ATOM 171 C3' U A 6 -4.979 8.145 16.848 1.00 0.00 C ATOM 172 O3' U A 6 -5.623 8.885 17.868 1.00 0.00 O ATOM 173 C2' U A 6 -5.799 6.956 16.425 1.00 0.00 C ATOM 174 O2' U A 6 -7.172 7.289 16.454 1.00 0.00 O ATOM 175 C1' U A 6 -5.385 6.752 14.976 1.00 0.00 C ATOM 176 N1 U A 6 -4.386 5.676 14.838 1.00 0.00 N ATOM 177 C2 U A 6 -4.839 4.374 14.696 1.00 0.00 C ATOM 178 O2 U A 6 -6.027 4.076 14.801 1.00 0.00 O ATOM 179 N3 U A 6 -3.872 3.421 14.420 1.00 0.00 N ATOM 180 C4 U A 6 -2.516 3.659 14.258 1.00 0.00 C ATOM 181 O4 U A 6 -1.743 2.737 14.012 1.00 0.00 O ATOM 182 C5 U A 6 -2.144 5.048 14.402 1.00 0.00 C ATOM 183 C6 U A 6 -3.073 5.984 14.687 1.00 0.00 C ATOM 0 H5' U A 6 -3.570 10.372 14.591 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.778 10.649 16.309 1.00 0.00 H new ATOM 0 H4' U A 6 -5.749 9.589 15.434 1.00 0.00 H new ATOM 0 H3' U A 6 -4.010 7.881 17.272 1.00 0.00 H new ATOM 0 H2' U A 6 -5.648 6.084 17.062 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.478 7.333 17.384 1.00 0.00 H new ATOM 0 H1' U A 6 -6.261 6.466 14.394 1.00 0.00 H new ATOM 0 H3 U A 6 -4.187 2.455 14.327 1.00 0.00 H new ATOM 0 H5 U A 6 -1.111 5.340 14.280 1.00 0.00 H new ATOM 0 H6 U A 6 -2.761 7.012 14.799 1.00 0.00 H new ATOM 194 P C A 7 -5.761 8.288 19.355 1.00 0.00 P ATOM 195 OP1 C A 7 -6.413 9.306 20.208 1.00 0.00 O ATOM 196 OP2 C A 7 -4.446 7.731 19.747 1.00 0.00 O ATOM 197 O5' C A 7 -6.791 7.061 19.157 1.00 0.00 O ATOM 198 C5' C A 7 -6.671 5.903 19.946 1.00 0.00 C ATOM 199 C4' C A 7 -7.710 4.847 19.544 1.00 0.00 C ATOM 200 O4' C A 7 -7.577 4.446 18.168 1.00 0.00 O ATOM 201 C3' C A 7 -7.472 3.604 20.375 1.00 0.00 C ATOM 202 O3' C A 7 -8.182 3.645 21.600 1.00 0.00 O ATOM 203 C2' C A 7 -7.979 2.520 19.467 1.00 0.00 C ATOM 204 O2' C A 7 -9.388 2.459 19.522 1.00 0.00 O ATOM 205 C1' C A 7 -7.566 3.006 18.101 1.00 0.00 C ATOM 206 N1 C A 7 -6.208 2.522 17.750 1.00 0.00 N ATOM 207 C2 C A 7 -6.068 1.197 17.344 1.00 0.00 C ATOM 208 O2 C A 7 -7.039 0.443 17.331 1.00 0.00 O ATOM 209 N3 C A 7 -4.830 0.768 16.963 1.00 0.00 N ATOM 210 C4 C A 7 -3.780 1.604 16.970 1.00 0.00 C ATOM 211 N4 C A 7 -2.585 1.147 16.581 1.00 0.00 N ATOM 212 C5 C A 7 -3.923 2.975 17.363 1.00 0.00 C ATOM 213 C6 C A 7 -5.152 3.377 17.737 1.00 0.00 C ATOM 0 H5' C A 7 -6.799 6.161 20.997 1.00 0.00 H new ATOM 0 H5'' C A 7 -5.668 5.489 19.839 1.00 0.00 H new ATOM 0 H4' C A 7 -8.696 5.285 19.699 1.00 0.00 H new ATOM 0 H3' C A 7 -6.433 3.470 20.676 1.00 0.00 H new ATOM 0 H2' C A 7 -7.597 1.532 19.726 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.707 2.962 20.300 1.00 0.00 H new ATOM 0 H1' C A 7 -8.244 2.631 17.335 1.00 0.00 H new ATOM 0 H41 C A 7 -1.777 1.769 16.580 1.00 0.00 H new ATOM 0 H42 C A 7 -2.482 0.176 16.285 1.00 0.00 H new ATOM 0 H5 C A 7 -3.083 3.654 17.359 1.00 0.00 H new ATOM 0 H6 C A 7 -5.302 4.404 18.034 1.00 0.00 H new ATOM 225 P C A 8 -7.754 2.699 22.832 1.00 0.00 P ATOM 226 OP1 C A 8 -8.758 2.856 23.907 1.00 0.00 O ATOM 227 OP2 C A 8 -6.325 2.950 23.121 1.00 0.00 O ATOM 228 O5' C A 8 -7.884 1.211 22.237 1.00 0.00 O ATOM 229 C5' C A 8 -9.141 0.580 22.097 1.00 0.00 C ATOM 230 C4' C A 8 -8.918 -0.820 21.525 1.00 0.00 C ATOM 231 O4' C A 8 -8.310 -0.763 20.237 1.00 0.00 O ATOM 232 C3' C A 8 -7.955 -1.612 22.381 1.00 0.00 C ATOM 233 O3' C A 8 -8.582 -2.177 23.513 1.00 0.00 O ATOM 234 C2' C A 8 -7.498 -2.669 21.411 1.00 0.00 C ATOM 235 O2' C A 8 -8.431 -3.728 21.371 1.00 0.00 O ATOM 236 C1' C A 8 -7.499 -1.937 20.073 1.00 0.00 C ATOM 237 N1 C A 8 -6.099 -1.568 19.750 1.00 0.00 N ATOM 238 C2 C A 8 -5.279 -2.553 19.212 1.00 0.00 C ATOM 239 O2 C A 8 -5.732 -3.667 18.961 1.00 0.00 O ATOM 240 N3 C A 8 -3.971 -2.247 18.980 1.00 0.00 N ATOM 241 C4 C A 8 -3.485 -1.032 19.276 1.00 0.00 C ATOM 242 N4 C A 8 -2.199 -0.770 19.027 1.00 0.00 N ATOM 243 C5 C A 8 -4.315 -0.021 19.860 1.00 0.00 C ATOM 244 C6 C A 8 -5.608 -0.341 20.074 1.00 0.00 C ATOM 0 H5' C A 8 -9.785 1.161 21.437 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.644 0.520 23.062 1.00 0.00 H new ATOM 0 H4' C A 8 -9.903 -1.284 21.486 1.00 0.00 H new ATOM 0 H3' C A 8 -7.149 -1.012 22.804 1.00 0.00 H new ATOM 0 H2' C A 8 -6.532 -3.101 21.673 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.011 -3.683 22.159 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.923 -2.680 24.035 1.00 0.00 H new ATOM 0 H1' C A 8 -7.896 -2.550 19.264 1.00 0.00 H new ATOM 0 H41 C A 8 -1.814 0.149 19.246 1.00 0.00 H new ATOM 0 H42 C A 8 -1.602 -1.489 18.618 1.00 0.00 H new ATOM 0 H5 C A 8 -3.924 0.952 20.117 1.00 0.00 H new ATOM 0 H6 C A 8 -6.268 0.393 20.512 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.738 -8.510 14.984 1.00 0.00 O ATOM 259 C5' G B 9 3.246 -9.827 15.107 1.00 0.00 C ATOM 260 C4' G B 9 1.792 -9.799 15.583 1.00 0.00 C ATOM 261 O4' G B 9 1.676 -9.197 16.873 1.00 0.00 O ATOM 262 C3' G B 9 0.898 -8.973 14.682 1.00 0.00 C ATOM 263 O3' G B 9 0.545 -9.643 13.489 1.00 0.00 O ATOM 264 C2' G B 9 -0.284 -8.791 15.597 1.00 0.00 C ATOM 265 O2' G B 9 -1.016 -9.995 15.681 1.00 0.00 O ATOM 266 C1' G B 9 0.397 -8.544 16.935 1.00 0.00 C ATOM 267 N9 G B 9 0.576 -7.093 17.142 1.00 0.00 N ATOM 268 C8 G B 9 1.704 -6.327 16.993 1.00 0.00 C ATOM 269 N7 G B 9 1.524 -5.063 17.259 1.00 0.00 N ATOM 270 C5 G B 9 0.179 -4.983 17.609 1.00 0.00 C ATOM 271 C6 G B 9 -0.601 -3.855 18.001 1.00 0.00 C ATOM 272 O6 G B 9 -0.245 -2.685 18.117 1.00 0.00 O ATOM 273 N1 G B 9 -1.919 -4.212 18.268 1.00 0.00 N ATOM 274 C2 G B 9 -2.427 -5.490 18.171 1.00 0.00 C ATOM 275 N2 G B 9 -3.723 -5.646 18.456 1.00 0.00 N ATOM 276 N3 G B 9 -1.698 -6.549 17.806 1.00 0.00 N ATOM 277 C4 G B 9 -0.408 -6.222 17.540 1.00 0.00 C ATOM 0 H5' G B 9 3.858 -10.388 15.813 1.00 0.00 H new ATOM 0 H5'' G B 9 3.314 -10.341 14.148 1.00 0.00 H new ATOM 0 H4' G B 9 1.485 -10.845 15.586 1.00 0.00 H new ATOM 0 H3' G B 9 1.353 -8.053 14.315 1.00 0.00 H new ATOM 0 H2' G B 9 -0.972 -8.009 15.278 1.00 0.00 H new ATOM 0 HO2' G B 9 -1.783 -9.871 16.279 1.00 0.00 H new ATOM 0 HO5' G B 9 4.670 -8.536 14.681 1.00 0.00 H new ATOM 0 H1' G B 9 -0.199 -8.931 17.762 1.00 0.00 H new ATOM 0 H8 G B 9 2.655 -6.734 16.683 1.00 0.00 H new ATOM 0 H1 G B 9 -2.558 -3.472 18.558 1.00 0.00 H new ATOM 0 H21 G B 9 -4.150 -6.571 18.400 1.00 0.00 H new ATOM 0 H22 G B 9 -4.286 -4.840 18.730 1.00 0.00 H new ATOM 290 P G B 10 -0.200 -8.853 12.291 1.00 0.00 P ATOM 291 OP1 G B 10 -0.412 -9.804 11.178 1.00 0.00 O ATOM 292 OP2 G B 10 0.541 -7.596 12.049 1.00 0.00 O ATOM 293 O5' G B 10 -1.645 -8.470 12.905 1.00 0.00 O ATOM 294 C5' G B 10 -2.654 -9.448 13.053 1.00 0.00 C ATOM 295 C4' G B 10 -3.953 -8.797 13.543 1.00 0.00 C ATOM 296 O4' G B 10 -3.820 -8.184 14.828 1.00 0.00 O ATOM 297 C3' G B 10 -4.434 -7.697 12.620 1.00 0.00 C ATOM 298 O3' G B 10 -5.059 -8.192 11.453 1.00 0.00 O ATOM 299 C2' G B 10 -5.407 -7.001 13.530 1.00 0.00 C ATOM 300 O2' G B 10 -6.575 -7.781 13.692 1.00 0.00 O ATOM 301 C1' G B 10 -4.638 -6.996 14.834 1.00 0.00 C ATOM 302 N9 G B 10 -3.762 -5.815 14.929 1.00 0.00 N ATOM 303 C8 G B 10 -2.412 -5.748 14.739 1.00 0.00 C ATOM 304 N7 G B 10 -1.900 -4.569 14.959 1.00 0.00 N ATOM 305 C5 G B 10 -2.996 -3.794 15.329 1.00 0.00 C ATOM 306 C6 G B 10 -3.059 -2.421 15.711 1.00 0.00 C ATOM 307 O6 G B 10 -2.141 -1.609 15.788 1.00 0.00 O ATOM 308 N1 G B 10 -4.358 -2.034 16.022 1.00 0.00 N ATOM 309 C2 G B 10 -5.461 -2.861 15.980 1.00 0.00 C ATOM 310 N2 G B 10 -6.635 -2.311 16.309 1.00 0.00 N ATOM 311 N3 G B 10 -5.405 -4.153 15.631 1.00 0.00 N ATOM 312 C4 G B 10 -4.143 -4.550 15.318 1.00 0.00 C ATOM 0 H5' G B 10 -2.331 -10.210 13.762 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.827 -9.950 12.101 1.00 0.00 H new ATOM 0 H4' G B 10 -4.660 -9.626 13.578 1.00 0.00 H new ATOM 0 H3' G B 10 -3.640 -7.066 12.220 1.00 0.00 H new ATOM 0 H2' G B 10 -5.726 -6.022 13.171 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.199 -7.316 14.288 1.00 0.00 H new ATOM 0 H1' G B 10 -5.327 -6.969 15.678 1.00 0.00 H new ATOM 0 H8 G B 10 -1.819 -6.598 14.433 1.00 0.00 H new ATOM 0 H1 G B 10 -4.506 -1.065 16.303 1.00 0.00 H new ATOM 0 H21 G B 10 -7.484 -2.876 16.295 1.00 0.00 H new ATOM 0 H22 G B 10 -6.681 -1.327 16.573 1.00 0.00 H new ATOM 324 P A B 11 -5.336 -7.220 10.192 1.00 0.00 P ATOM 325 OP1 A B 11 -6.081 -7.991 9.172 1.00 0.00 O ATOM 326 OP2 A B 11 -4.057 -6.570 9.831 1.00 0.00 O ATOM 327 O5' A B 11 -6.320 -6.088 10.783 1.00 0.00 O ATOM 328 C5' A B 11 -7.677 -6.370 11.046 1.00 0.00 C ATOM 329 C4' A B 11 -8.374 -5.111 11.570 1.00 0.00 C ATOM 330 O4' A B 11 -7.808 -4.642 12.787 1.00 0.00 O ATOM 331 C3' A B 11 -8.290 -3.957 10.595 1.00 0.00 C ATOM 332 O3' A B 11 -9.231 -4.086 9.547 1.00 0.00 O ATOM 333 C2' A B 11 -8.621 -2.800 11.509 1.00 0.00 C ATOM 334 O2' A B 11 -10.008 -2.784 11.774 1.00 0.00 O ATOM 335 C1' A B 11 -7.906 -3.209 12.801 1.00 0.00 C ATOM 336 N9 A B 11 -6.548 -2.659 12.831 1.00 0.00 N ATOM 337 C8 A B 11 -5.373 -3.309 12.595 1.00 0.00 C ATOM 338 N7 A B 11 -4.314 -2.561 12.734 1.00 0.00 N ATOM 339 C5 A B 11 -4.834 -1.323 13.104 1.00 0.00 C ATOM 340 C6 A B 11 -4.233 -0.094 13.427 1.00 0.00 C ATOM 341 N6 A B 11 -2.910 0.104 13.408 1.00 0.00 N ATOM 342 N1 A B 11 -5.042 0.923 13.779 1.00 0.00 N ATOM 343 C2 A B 11 -6.358 0.725 13.802 1.00 0.00 C ATOM 344 N3 A B 11 -7.040 -0.376 13.519 1.00 0.00 N ATOM 345 C4 A B 11 -6.199 -1.378 13.172 1.00 0.00 C ATOM 0 H5' A B 11 -7.756 -7.173 11.779 1.00 0.00 H new ATOM 0 H5'' A B 11 -8.169 -6.718 10.138 1.00 0.00 H new ATOM 0 H4' A B 11 -9.409 -5.419 11.719 1.00 0.00 H new ATOM 0 H3' A B 11 -7.334 -3.867 10.078 1.00 0.00 H new ATOM 0 H2' A B 11 -8.339 -1.828 11.104 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.461 -3.424 11.186 1.00 0.00 H new ATOM 0 H1' A B 11 -8.455 -2.839 13.667 1.00 0.00 H new ATOM 0 H8 A B 11 -5.324 -4.352 12.317 1.00 0.00 H new ATOM 0 H61 A B 11 -2.528 1.018 13.652 1.00 0.00 H new ATOM 0 H62 A B 11 -2.284 -0.659 13.150 1.00 0.00 H new ATOM 0 H2 A B 11 -6.952 1.579 14.091 1.00 0.00 H new ATOM 357 P G B 12 -9.095 -3.210 8.202 1.00 0.00 P ATOM 358 OP1 G B 12 -10.291 -3.460 7.367 1.00 0.00 O ATOM 359 OP2 G B 12 -7.746 -3.446 7.641 1.00 0.00 O ATOM 360 O5' G B 12 -9.156 -1.691 8.726 1.00 0.00 O ATOM 361 C5' G B 12 -10.371 -1.111 9.154 1.00 0.00 C ATOM 362 C4' G B 12 -10.118 0.325 9.550 1.00 0.00 C ATOM 363 O4' G B 12 -9.249 0.396 10.666 1.00 0.00 O ATOM 364 C3' G B 12 -9.420 1.088 8.473 1.00 0.00 C ATOM 365 O3' G B 12 -10.288 1.423 7.405 1.00 0.00 O ATOM 366 C2' G B 12 -9.026 2.291 9.282 1.00 0.00 C ATOM 367 O2' G B 12 -10.166 3.086 9.542 1.00 0.00 O ATOM 368 C1' G B 12 -8.582 1.649 10.586 1.00 0.00 C ATOM 369 N9 G B 12 -7.120 1.458 10.611 1.00 0.00 N ATOM 370 C8 G B 12 -6.393 0.315 10.402 1.00 0.00 C ATOM 371 N7 G B 12 -5.104 0.476 10.545 1.00 0.00 N ATOM 372 C5 G B 12 -4.968 1.825 10.870 1.00 0.00 C ATOM 373 C6 G B 12 -3.797 2.596 11.151 1.00 0.00 C ATOM 374 O6 G B 12 -2.619 2.235 11.172 1.00 0.00 O ATOM 375 N1 G B 12 -4.116 3.918 11.425 1.00 0.00 N ATOM 376 C2 G B 12 -5.386 4.444 11.437 1.00 0.00 C ATOM 377 N2 G B 12 -5.492 5.746 11.723 1.00 0.00 N ATOM 378 N3 G B 12 -6.484 3.729 11.184 1.00 0.00 N ATOM 379 C4 G B 12 -6.201 2.431 10.908 1.00 0.00 C ATOM 0 H5' G B 12 -10.777 -1.668 9.998 1.00 0.00 H new ATOM 0 H5'' G B 12 -11.112 -1.156 8.356 1.00 0.00 H new ATOM 0 H4' G B 12 -11.102 0.744 9.760 1.00 0.00 H new ATOM 0 H3' G B 12 -8.607 0.565 7.970 1.00 0.00 H new ATOM 0 H2' G B 12 -8.282 2.925 8.799 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.836 2.935 8.843 1.00 0.00 H new ATOM 0 H1' G B 12 -8.831 2.286 11.435 1.00 0.00 H new ATOM 0 H8 G B 12 -6.844 -0.632 10.143 1.00 0.00 H new ATOM 0 H1 G B 12 -3.345 4.552 11.635 1.00 0.00 H new ATOM 0 H21 G B 12 -6.410 6.190 11.746 1.00 0.00 H new ATOM 0 H22 G B 12 -4.655 6.295 11.918 1.00 0.00 H new ATOM 391 P U B 13 -9.707 1.910 5.984 1.00 0.00 P ATOM 392 OP1 U B 13 -10.836 2.408 5.168 1.00 0.00 O ATOM 393 OP2 U B 13 -8.837 0.836 5.457 1.00 0.00 O ATOM 394 O5' U B 13 -8.772 3.161 6.364 1.00 0.00 O ATOM 395 C5' U B 13 -9.319 4.411 6.728 1.00 0.00 C ATOM 396 C4' U B 13 -8.171 5.371 7.053 1.00 0.00 C ATOM 397 O4' U B 13 -7.384 4.907 8.147 1.00 0.00 O ATOM 398 C3' U B 13 -7.220 5.495 5.875 1.00 0.00 C ATOM 399 O3' U B 13 -7.667 6.445 4.917 1.00 0.00 O ATOM 400 C2' U B 13 -5.957 5.928 6.544 1.00 0.00 C ATOM 401 O2' U B 13 -5.979 7.323 6.762 1.00 0.00 O ATOM 402 C1' U B 13 -6.010 5.216 7.881 1.00 0.00 C ATOM 403 N1 U B 13 -5.200 3.976 7.869 1.00 0.00 N ATOM 404 C2 U B 13 -3.846 4.093 8.151 1.00 0.00 C ATOM 405 O2 U B 13 -3.320 5.180 8.376 1.00 0.00 O ATOM 406 N3 U B 13 -3.116 2.912 8.165 1.00 0.00 N ATOM 407 C4 U B 13 -3.633 1.640 7.961 1.00 0.00 C ATOM 408 O4 U B 13 -2.901 0.654 7.987 1.00 0.00 O ATOM 409 C5 U B 13 -5.066 1.617 7.733 1.00 0.00 C ATOM 410 C6 U B 13 -5.780 2.754 7.692 1.00 0.00 C ATOM 0 H5' U B 13 -9.975 4.300 7.591 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.926 4.809 5.915 1.00 0.00 H new ATOM 0 H4' U B 13 -8.640 6.325 7.294 1.00 0.00 H new ATOM 0 H3' U B 13 -7.121 4.575 5.299 1.00 0.00 H new ATOM 0 H2' U B 13 -5.066 5.701 5.959 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.743 7.716 6.291 1.00 0.00 H new ATOM 0 H1' U B 13 -5.595 5.858 8.657 1.00 0.00 H new ATOM 0 H3 U B 13 -2.114 2.985 8.340 1.00 0.00 H new ATOM 0 H5 U B 13 -5.567 0.670 7.594 1.00 0.00 H new ATOM 0 H6 U B 13 -6.844 2.699 7.514 1.00 0.00 H new ATOM 421 P U B 14 -6.935 6.588 3.476 1.00 0.00 P ATOM 422 OP1 U B 14 -7.780 7.452 2.622 1.00 0.00 O ATOM 423 OP2 U B 14 -6.582 5.228 3.015 1.00 0.00 O ATOM 424 O5' U B 14 -5.554 7.386 3.776 1.00 0.00 O ATOM 425 C5' U B 14 -5.526 8.802 3.885 1.00 0.00 C ATOM 426 C4' U B 14 -4.067 9.293 3.962 1.00 0.00 C ATOM 427 O4' U B 14 -3.426 8.860 5.155 1.00 0.00 O ATOM 428 C3' U B 14 -3.218 8.757 2.820 1.00 0.00 C ATOM 429 O3' U B 14 -3.378 9.487 1.619 1.00 0.00 O ATOM 430 C2' U B 14 -1.845 8.956 3.395 1.00 0.00 C ATOM 431 O2' U B 14 -1.485 10.320 3.328 1.00 0.00 O ATOM 432 C1' U B 14 -2.052 8.584 4.845 1.00 0.00 C ATOM 433 N1 U B 14 -1.773 7.151 5.064 1.00 0.00 N ATOM 434 C2 U B 14 -0.455 6.750 5.212 1.00 0.00 C ATOM 435 O2 U B 14 0.487 7.532 5.100 1.00 0.00 O ATOM 436 N3 U B 14 -0.257 5.409 5.501 1.00 0.00 N ATOM 437 C4 U B 14 -1.250 4.455 5.664 1.00 0.00 C ATOM 438 O4 U B 14 -0.963 3.289 5.917 1.00 0.00 O ATOM 439 C5 U B 14 -2.589 4.973 5.510 1.00 0.00 C ATOM 440 C6 U B 14 -2.796 6.273 5.216 1.00 0.00 C ATOM 0 H5' U B 14 -6.073 9.118 4.773 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.025 9.252 3.027 1.00 0.00 H new ATOM 0 H4' U B 14 -4.137 10.380 3.920 1.00 0.00 H new ATOM 0 H3' U B 14 -3.466 7.736 2.529 1.00 0.00 H new ATOM 0 H2' U B 14 -1.071 8.386 2.881 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.107 10.794 2.737 1.00 0.00 H new ATOM 0 H1' U B 14 -1.376 9.154 5.482 1.00 0.00 H new ATOM 0 H3 U B 14 0.708 5.095 5.603 1.00 0.00 H new ATOM 0 H5 U B 14 -3.434 4.312 5.632 1.00 0.00 H new ATOM 0 H6 U B 14 -3.810 6.627 5.098 1.00 0.00 H new ATOM 451 P C B 15 -2.795 8.914 0.223 1.00 0.00 P ATOM 452 OP1 C B 15 -3.021 9.937 -0.822 1.00 0.00 O ATOM 453 OP2 C B 15 -3.332 7.548 0.038 1.00 0.00 O ATOM 454 O5' C B 15 -1.199 8.791 0.469 1.00 0.00 O ATOM 455 C5' C B 15 -0.355 9.925 0.411 1.00 0.00 C ATOM 456 C4' C B 15 1.109 9.492 0.581 1.00 0.00 C ATOM 457 O4' C B 15 1.350 8.872 1.850 1.00 0.00 O ATOM 458 C3' C B 15 1.515 8.458 -0.450 1.00 0.00 C ATOM 459 O3' C B 15 1.794 9.034 -1.713 1.00 0.00 O ATOM 460 C2' C B 15 2.758 7.909 0.203 1.00 0.00 C ATOM 461 O2' C B 15 3.825 8.821 0.044 1.00 0.00 O ATOM 462 C1' C B 15 2.377 7.873 1.671 1.00 0.00 C ATOM 463 N1 C B 15 1.872 6.529 2.058 1.00 0.00 N ATOM 464 C2 C B 15 2.813 5.555 2.386 1.00 0.00 C ATOM 465 O2 C B 15 4.015 5.800 2.307 1.00 0.00 O ATOM 466 N3 C B 15 2.363 4.336 2.797 1.00 0.00 N ATOM 467 C4 C B 15 1.050 4.079 2.883 1.00 0.00 C ATOM 468 N4 C B 15 0.654 2.872 3.299 1.00 0.00 N ATOM 469 C5 C B 15 0.073 5.075 2.553 1.00 0.00 C ATOM 470 C6 C B 15 0.535 6.276 2.151 1.00 0.00 C ATOM 0 H5' C B 15 -0.628 10.633 1.193 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.484 10.438 -0.542 1.00 0.00 H new ATOM 0 H4' C B 15 1.681 10.414 0.476 1.00 0.00 H new ATOM 0 H3' C B 15 0.746 7.719 -0.676 1.00 0.00 H new ATOM 0 H2' C B 15 3.070 6.949 -0.208 1.00 0.00 H new ATOM 0 HO2' C B 15 3.557 9.534 -0.573 1.00 0.00 H new ATOM 0 H1' C B 15 3.242 8.077 2.302 1.00 0.00 H new ATOM 0 H41 C B 15 -0.341 2.658 3.371 1.00 0.00 H new ATOM 0 H42 C B 15 1.347 2.165 3.545 1.00 0.00 H new ATOM 0 H5 C B 15 -0.985 4.872 2.623 1.00 0.00 H new ATOM 0 H6 C B 15 -0.169 7.055 1.897 1.00 0.00 H new ATOM 482 P C B 16 1.984 8.104 -3.020 1.00 0.00 P ATOM 483 OP1 C B 16 2.337 8.978 -4.161 1.00 0.00 O ATOM 484 OP2 C B 16 0.809 7.210 -3.117 1.00 0.00 O ATOM 485 O5' C B 16 3.268 7.200 -2.665 1.00 0.00 O ATOM 486 C5' C B 16 4.578 7.723 -2.744 1.00 0.00 C ATOM 487 C4' C B 16 5.572 6.646 -2.304 1.00 0.00 C ATOM 488 O4' C B 16 5.324 6.217 -0.969 1.00 0.00 O ATOM 489 C3' C B 16 5.450 5.393 -3.143 1.00 0.00 C ATOM 490 O3' C B 16 6.098 5.518 -4.390 1.00 0.00 O ATOM 491 C2' C B 16 6.146 4.391 -2.258 1.00 0.00 C ATOM 492 O2' C B 16 7.543 4.485 -2.443 1.00 0.00 O ATOM 493 C1' C B 16 5.783 4.861 -0.849 1.00 0.00 C ATOM 494 N1 C B 16 4.705 3.987 -0.326 1.00 0.00 N ATOM 495 C2 C B 16 5.075 2.789 0.277 1.00 0.00 C ATOM 496 O2 C B 16 6.262 2.511 0.430 1.00 0.00 O ATOM 497 N3 C B 16 4.088 1.940 0.683 1.00 0.00 N ATOM 498 C4 C B 16 2.796 2.248 0.500 1.00 0.00 C ATOM 499 N4 C B 16 1.860 1.389 0.916 1.00 0.00 N ATOM 500 C5 C B 16 2.405 3.471 -0.134 1.00 0.00 C ATOM 501 C6 C B 16 3.395 4.300 -0.525 1.00 0.00 C ATOM 0 H5' C B 16 4.671 8.603 -2.108 1.00 0.00 H new ATOM 0 H5'' C B 16 4.795 8.042 -3.763 1.00 0.00 H new ATOM 0 H4' C B 16 6.554 7.108 -2.408 1.00 0.00 H new ATOM 0 H3' C B 16 4.424 5.135 -3.407 1.00 0.00 H new ATOM 0 H2' C B 16 5.858 3.359 -2.460 1.00 0.00 H new ATOM 0 HO2' C B 16 7.731 4.875 -3.322 1.00 0.00 H new ATOM 0 HO3' C B 16 5.995 4.686 -4.897 1.00 0.00 H new ATOM 0 H1' C B 16 6.631 4.812 -0.165 1.00 0.00 H new ATOM 0 H41 C B 16 0.872 1.608 0.785 1.00 0.00 H new ATOM 0 H42 C B 16 2.133 0.515 1.365 1.00 0.00 H new ATOM 0 H5 C B 16 1.366 3.718 -0.292 1.00 0.00 H new ATOM 0 H6 C B 16 3.143 5.233 -1.007 1.00 0.00 H new TER 514 C B 16