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= -0.486 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.542 USER MOD Single : A 3 A O2' : rot -12:sc= -0.921 USER MOD Single : A 4 G O2' : rot -17:sc= -0.6 USER MOD Single : A 5 U O2' : rot -5:sc= 0.133 USER MOD Single : A 6 U O2' : rot -16:sc= -0.416 USER MOD Single : A 7 C O2' : rot -6:sc= -0.45 USER MOD Single : A 8 C O2' : rot -31:sc= 0.187 USER MOD Single : A 8 C O3' : rot 180:sc= 0.175 USER MOD Single : B 9 G O2' : rot 180:sc= -0.498 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00725 USER MOD Single : B 10 G O2' : rot 180:sc= -0.526 USER MOD Single : B 11 A O2' : rot -11:sc= -0.963 USER MOD Single : B 12 G O2' : rot -25:sc= -0.629 USER MOD Single : B 13 U O2' : rot -7:sc= 0.128 USER MOD Single : B 14 U O2' : rot -14:sc= -0.454 USER MOD Single : B 15 C O2' : rot -8:sc= -0.457 USER MOD Single : B 16 C O2' : rot -37:sc= 0.194 USER MOD Single : B 16 C O3' : rot 180:sc= 0.163 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.124 -8.042 3.737 1.00 0.00 O ATOM 2 C5' G A 1 6.496 -8.327 3.579 1.00 0.00 C ATOM 3 C4' G A 1 7.259 -7.051 3.219 1.00 0.00 C ATOM 4 O4' G A 1 6.790 -6.487 1.994 1.00 0.00 O ATOM 5 C3' G A 1 7.085 -5.950 4.247 1.00 0.00 C ATOM 6 O3' G A 1 7.868 -6.148 5.407 1.00 0.00 O ATOM 7 C2' G A 1 7.559 -4.768 3.442 1.00 0.00 C ATOM 8 O2' G A 1 8.967 -4.787 3.334 1.00 0.00 O ATOM 9 C1' G A 1 6.964 -5.060 2.073 1.00 0.00 C ATOM 10 N9 G A 1 5.662 -4.375 1.939 1.00 0.00 N ATOM 11 C8 G A 1 4.395 -4.881 2.082 1.00 0.00 C ATOM 12 N7 G A 1 3.450 -4.003 1.894 1.00 0.00 N ATOM 13 C5 G A 1 4.137 -2.828 1.607 1.00 0.00 C ATOM 14 C6 G A 1 3.640 -1.524 1.312 1.00 0.00 C ATOM 15 O6 G A 1 2.471 -1.150 1.248 1.00 0.00 O ATOM 16 N1 G A 1 4.673 -0.622 1.079 1.00 0.00 N ATOM 17 C2 G A 1 6.016 -0.930 1.127 1.00 0.00 C ATOM 18 N2 G A 1 6.871 0.069 0.886 1.00 0.00 N ATOM 19 N3 G A 1 6.486 -2.151 1.402 1.00 0.00 N ATOM 20 C4 G A 1 5.493 -3.047 1.631 1.00 0.00 C ATOM 0 H5' G A 1 6.633 -9.075 2.798 1.00 0.00 H new ATOM 0 H5'' G A 1 6.896 -8.752 4.500 1.00 0.00 H new ATOM 0 H4' G A 1 8.300 -7.368 3.158 1.00 0.00 H new ATOM 0 H3' G A 1 6.075 -5.866 4.649 1.00 0.00 H new ATOM 0 H2' G A 1 7.276 -3.807 3.871 1.00 0.00 H new ATOM 0 HO2' G A 1 9.265 -4.016 2.808 1.00 0.00 H new ATOM 0 HO5' G A 1 4.643 -8.865 3.966 1.00 0.00 H new ATOM 0 H1' G A 1 7.612 -4.704 1.272 1.00 0.00 H new ATOM 0 H8 G A 1 4.198 -5.914 2.328 1.00 0.00 H new ATOM 0 H1 G A 1 4.418 0.340 0.856 1.00 0.00 H new ATOM 0 H21 G A 1 7.876 -0.103 0.909 1.00 0.00 H new ATOM 0 H22 G A 1 6.518 1.003 0.679 1.00 0.00 H new ATOM 33 P G A 2 7.657 -5.215 6.710 1.00 0.00 P ATOM 34 OP1 G A 2 8.582 -5.686 7.765 1.00 0.00 O ATOM 35 OP2 G A 2 6.206 -5.144 6.987 1.00 0.00 O ATOM 36 O5' G A 2 8.147 -3.752 6.231 1.00 0.00 O ATOM 37 C5' G A 2 9.521 -3.457 6.088 1.00 0.00 C ATOM 38 C4' G A 2 9.707 -1.988 5.688 1.00 0.00 C ATOM 39 O4' G A 2 9.096 -1.675 4.435 1.00 0.00 O ATOM 40 C3' G A 2 9.093 -1.028 6.683 1.00 0.00 C ATOM 41 O3' G A 2 9.870 -0.872 7.855 1.00 0.00 O ATOM 42 C2' G A 2 9.084 0.221 5.848 1.00 0.00 C ATOM 43 O2' G A 2 10.398 0.716 5.701 1.00 0.00 O ATOM 44 C1' G A 2 8.617 -0.319 4.513 1.00 0.00 C ATOM 45 N9 G A 2 7.148 -0.324 4.431 1.00 0.00 N ATOM 46 C8 G A 2 6.297 -1.378 4.592 1.00 0.00 C ATOM 47 N7 G A 2 5.040 -1.083 4.401 1.00 0.00 N ATOM 48 C5 G A 2 5.062 0.273 4.083 1.00 0.00 C ATOM 49 C6 G A 2 3.990 1.156 3.752 1.00 0.00 C ATOM 50 O6 G A 2 2.789 0.906 3.683 1.00 0.00 O ATOM 51 N1 G A 2 4.449 2.440 3.483 1.00 0.00 N ATOM 52 C2 G A 2 5.771 2.831 3.517 1.00 0.00 C ATOM 53 N2 G A 2 6.027 4.112 3.230 1.00 0.00 N ATOM 54 N3 G A 2 6.780 2.006 3.822 1.00 0.00 N ATOM 55 C4 G A 2 6.352 0.746 4.094 1.00 0.00 C ATOM 0 H5' G A 2 9.963 -4.106 5.332 1.00 0.00 H new ATOM 0 H5'' G A 2 10.043 -3.656 7.024 1.00 0.00 H new ATOM 0 H4' G A 2 10.790 -1.870 5.641 1.00 0.00 H new ATOM 0 H3' G A 2 8.126 -1.341 7.076 1.00 0.00 H new ATOM 0 H2' G A 2 8.479 1.027 6.262 1.00 0.00 H new ATOM 0 HO2' G A 2 10.382 1.529 5.154 1.00 0.00 H new ATOM 0 H1' G A 2 8.994 0.301 3.699 1.00 0.00 H new ATOM 0 H8 G A 2 6.634 -2.370 4.855 1.00 0.00 H new ATOM 0 H1 G A 2 3.755 3.147 3.242 1.00 0.00 H new ATOM 0 H21 G A 2 6.988 4.455 3.240 1.00 0.00 H new ATOM 0 H22 G A 2 5.262 4.746 3.001 1.00 0.00 H new ATOM 67 P A A 3 9.259 -0.132 9.155 1.00 0.00 P ATOM 68 OP1 A A 3 10.329 -0.032 10.173 1.00 0.00 O ATOM 69 OP2 A A 3 7.982 -0.796 9.497 1.00 0.00 O ATOM 70 O5' A A 3 8.920 1.358 8.635 1.00 0.00 O ATOM 71 C5' A A 3 9.944 2.305 8.414 1.00 0.00 C ATOM 72 C4' A A 3 9.331 3.629 7.946 1.00 0.00 C ATOM 73 O4' A A 3 8.608 3.494 6.727 1.00 0.00 O ATOM 74 C3' A A 3 8.354 4.198 8.951 1.00 0.00 C ATOM 75 O3' A A 3 9.018 4.836 10.026 1.00 0.00 O ATOM 76 C2' A A 3 7.617 5.188 8.080 1.00 0.00 C ATOM 77 O2' A A 3 8.434 6.315 7.851 1.00 0.00 O ATOM 78 C1' A A 3 7.510 4.420 6.759 1.00 0.00 C ATOM 79 N9 A A 3 6.264 3.651 6.717 1.00 0.00 N ATOM 80 C8 A A 3 6.095 2.314 6.921 1.00 0.00 C ATOM 81 N7 A A 3 4.861 1.908 6.796 1.00 0.00 N ATOM 82 C5 A A 3 4.167 3.070 6.468 1.00 0.00 C ATOM 83 C6 A A 3 2.815 3.323 6.180 1.00 0.00 C ATOM 84 N6 A A 3 1.872 2.375 6.199 1.00 0.00 N ATOM 85 N1 A A 3 2.471 4.585 5.860 1.00 0.00 N ATOM 86 C2 A A 3 3.411 5.526 5.835 1.00 0.00 C ATOM 87 N3 A A 3 4.707 5.416 6.091 1.00 0.00 N ATOM 88 C4 A A 3 5.020 4.137 6.407 1.00 0.00 C ATOM 0 H5' A A 3 10.642 1.932 7.665 1.00 0.00 H new ATOM 0 H5'' A A 3 10.513 2.460 9.331 1.00 0.00 H new ATOM 0 H4' A A 3 10.187 4.291 7.817 1.00 0.00 H new ATOM 0 H3' A A 3 7.719 3.459 9.439 1.00 0.00 H new ATOM 0 H2' A A 3 6.672 5.527 8.505 1.00 0.00 H new ATOM 0 HO2' A A 3 9.204 6.290 8.457 1.00 0.00 H new ATOM 0 H1' A A 3 7.527 5.113 5.918 1.00 0.00 H new ATOM 0 H8 A A 3 6.910 1.649 7.165 1.00 0.00 H new ATOM 0 H61 A A 3 0.904 2.614 5.982 1.00 0.00 H new ATOM 0 H62 A A 3 2.120 1.413 6.431 1.00 0.00 H new ATOM 0 H2 A A 3 3.071 6.516 5.569 1.00 0.00 H new ATOM 100 P G A 4 8.232 5.196 11.385 1.00 0.00 P ATOM 101 OP1 G A 4 9.140 5.984 12.248 1.00 0.00 O ATOM 102 OP2 G A 4 7.625 3.950 11.903 1.00 0.00 O ATOM 103 O5' G A 4 7.042 6.161 10.896 1.00 0.00 O ATOM 104 C5' G A 4 7.289 7.498 10.511 1.00 0.00 C ATOM 105 C4' G A 4 5.977 8.155 10.149 1.00 0.00 C ATOM 106 O4' G A 4 5.389 7.524 9.025 1.00 0.00 O ATOM 107 C3' G A 4 4.966 8.019 11.238 1.00 0.00 C ATOM 108 O3' G A 4 5.229 8.893 12.322 1.00 0.00 O ATOM 109 C2' G A 4 3.752 8.431 10.456 1.00 0.00 C ATOM 110 O2' G A 4 3.787 9.824 10.217 1.00 0.00 O ATOM 111 C1' G A 4 3.984 7.715 9.137 1.00 0.00 C ATOM 112 N9 G A 4 3.282 6.417 9.108 1.00 0.00 N ATOM 113 C8 G A 4 3.793 5.154 9.258 1.00 0.00 C ATOM 114 N7 G A 4 2.902 4.205 9.138 1.00 0.00 N ATOM 115 C5 G A 4 1.713 4.890 8.893 1.00 0.00 C ATOM 116 C6 G A 4 0.389 4.396 8.676 1.00 0.00 C ATOM 117 O6 G A 4 -0.006 3.231 8.645 1.00 0.00 O ATOM 118 N1 G A 4 -0.513 5.432 8.489 1.00 0.00 N ATOM 119 C2 G A 4 -0.199 6.771 8.489 1.00 0.00 C ATOM 120 N2 G A 4 -1.209 7.623 8.285 1.00 0.00 N ATOM 121 N3 G A 4 1.037 7.239 8.680 1.00 0.00 N ATOM 122 C4 G A 4 1.940 6.246 8.879 1.00 0.00 C ATOM 0 H5' G A 4 7.971 7.525 9.661 1.00 0.00 H new ATOM 0 H5'' G A 4 7.771 8.041 11.324 1.00 0.00 H new ATOM 0 H4' G A 4 6.219 9.201 9.959 1.00 0.00 H new ATOM 0 H3' G A 4 4.912 7.043 11.720 1.00 0.00 H new ATOM 0 H2' G A 4 2.808 8.202 10.951 1.00 0.00 H new ATOM 0 HO2' G A 4 4.430 10.244 10.825 1.00 0.00 H new ATOM 0 H1' G A 4 3.595 8.301 8.304 1.00 0.00 H new ATOM 0 H8 G A 4 4.837 4.961 9.457 1.00 0.00 H new ATOM 0 H1 G A 4 -1.490 5.180 8.339 1.00 0.00 H new ATOM 0 H21 G A 4 -1.034 8.628 8.275 1.00 0.00 H new ATOM 0 H22 G A 4 -2.154 7.268 8.140 1.00 0.00 H new ATOM 134 P U A 5 4.506 8.690 13.748 1.00 0.00 P ATOM 135 OP1 U A 5 4.810 9.866 14.593 1.00 0.00 O ATOM 136 OP2 U A 5 4.836 7.332 14.235 1.00 0.00 O ATOM 137 O5' U A 5 2.940 8.719 13.391 1.00 0.00 O ATOM 138 C5' U A 5 2.281 9.920 13.048 1.00 0.00 C ATOM 139 C4' U A 5 0.817 9.601 12.735 1.00 0.00 C ATOM 140 O4' U A 5 0.697 8.687 11.648 1.00 0.00 O ATOM 141 C3' U A 5 0.145 8.934 13.921 1.00 0.00 C ATOM 142 O3' U A 5 -0.330 9.876 14.874 1.00 0.00 O ATOM 143 C2' U A 5 -0.971 8.189 13.266 1.00 0.00 C ATOM 144 O2' U A 5 -2.067 9.055 13.051 1.00 0.00 O ATOM 145 C1' U A 5 -0.386 7.790 11.927 1.00 0.00 C ATOM 146 N1 U A 5 0.099 6.390 11.936 1.00 0.00 N ATOM 147 C2 U A 5 -0.828 5.391 11.678 1.00 0.00 C ATOM 148 O2 U A 5 -2.016 5.641 11.487 1.00 0.00 O ATOM 149 N3 U A 5 -0.341 4.092 11.645 1.00 0.00 N ATOM 150 C4 U A 5 0.989 3.723 11.805 1.00 0.00 C ATOM 151 O4 U A 5 1.320 2.542 11.764 1.00 0.00 O ATOM 152 C5 U A 5 1.889 4.843 12.007 1.00 0.00 C ATOM 153 C6 U A 5 1.427 6.103 12.069 1.00 0.00 C ATOM 0 H5' U A 5 2.761 10.382 12.185 1.00 0.00 H new ATOM 0 H5'' U A 5 2.345 10.635 13.868 1.00 0.00 H new ATOM 0 H4' U A 5 0.348 10.554 12.491 1.00 0.00 H new ATOM 0 H3' U A 5 0.817 8.300 14.499 1.00 0.00 H new ATOM 0 H2' U A 5 -1.327 7.347 13.859 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.875 9.931 13.447 1.00 0.00 H new ATOM 0 H1' U A 5 -1.156 7.852 11.158 1.00 0.00 H new ATOM 0 H3 U A 5 -1.017 3.344 11.490 1.00 0.00 H new ATOM 0 H5 U A 5 2.949 4.661 12.109 1.00 0.00 H new ATOM 0 H6 U A 5 2.125 6.911 12.228 1.00 0.00 H new ATOM 164 P U A 6 -0.909 9.397 16.310 1.00 0.00 P ATOM 165 OP1 U A 6 -1.061 10.596 17.163 1.00 0.00 O ATOM 166 OP2 U A 6 -0.073 8.269 16.777 1.00 0.00 O ATOM 167 O5' U A 6 -2.392 8.819 15.995 1.00 0.00 O ATOM 168 C5' U A 6 -3.508 9.686 15.846 1.00 0.00 C ATOM 169 C4' U A 6 -4.803 8.858 15.732 1.00 0.00 C ATOM 170 O4' U A 6 -4.825 8.074 14.545 1.00 0.00 O ATOM 171 C3' U A 6 -4.959 7.874 16.880 1.00 0.00 C ATOM 172 O3' U A 6 -5.473 8.471 18.054 1.00 0.00 O ATOM 173 C2' U A 6 -5.954 6.921 16.279 1.00 0.00 C ATOM 174 O2' U A 6 -7.245 7.495 16.298 1.00 0.00 O ATOM 175 C1' U A 6 -5.488 6.836 14.844 1.00 0.00 C ATOM 176 N1 U A 6 -4.544 5.715 14.663 1.00 0.00 N ATOM 177 C2 U A 6 -5.059 4.441 14.477 1.00 0.00 C ATOM 178 O2 U A 6 -6.264 4.203 14.538 1.00 0.00 O ATOM 179 N3 U A 6 -4.133 3.445 14.212 1.00 0.00 N ATOM 180 C4 U A 6 -2.761 3.615 14.104 1.00 0.00 C ATOM 181 O4 U A 6 -2.028 2.660 13.862 1.00 0.00 O ATOM 182 C5 U A 6 -2.324 4.977 14.298 1.00 0.00 C ATOM 183 C6 U A 6 -3.212 5.954 14.571 1.00 0.00 C ATOM 0 H5' U A 6 -3.383 10.305 14.958 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.572 10.361 16.699 1.00 0.00 H new ATOM 0 H4' U A 6 -5.607 9.594 15.738 1.00 0.00 H new ATOM 0 H3' U A 6 -4.020 7.431 17.210 1.00 0.00 H new ATOM 0 H2' U A 6 -6.009 5.965 16.800 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.256 8.254 16.918 1.00 0.00 H new ATOM 0 H1' U A 6 -6.337 6.665 14.182 1.00 0.00 H new ATOM 0 H3 U A 6 -4.494 2.499 14.085 1.00 0.00 H new ATOM 0 H5 U A 6 -1.273 5.216 14.224 1.00 0.00 H new ATOM 0 H6 U A 6 -2.851 6.961 14.721 1.00 0.00 H new ATOM 194 P C A 7 -5.436 7.680 19.464 1.00 0.00 P ATOM 195 OP1 C A 7 -6.143 8.502 20.470 1.00 0.00 O ATOM 196 OP2 C A 7 -4.038 7.265 19.710 1.00 0.00 O ATOM 197 O5' C A 7 -6.310 6.343 19.202 1.00 0.00 O ATOM 198 C5' C A 7 -7.726 6.373 19.212 1.00 0.00 C ATOM 199 C4' C A 7 -8.273 4.947 19.048 1.00 0.00 C ATOM 200 O4' C A 7 -7.897 4.361 17.796 1.00 0.00 O ATOM 201 C3' C A 7 -7.725 4.011 20.104 1.00 0.00 C ATOM 202 O3' C A 7 -8.371 4.166 21.355 1.00 0.00 O ATOM 203 C2' C A 7 -8.044 2.685 19.465 1.00 0.00 C ATOM 204 O2' C A 7 -9.423 2.415 19.596 1.00 0.00 O ATOM 205 C1' C A 7 -7.748 2.940 17.999 1.00 0.00 C ATOM 206 N1 C A 7 -6.371 2.504 17.648 1.00 0.00 N ATOM 207 C2 C A 7 -6.177 1.158 17.348 1.00 0.00 C ATOM 208 O2 C A 7 -7.112 0.363 17.424 1.00 0.00 O ATOM 209 N3 C A 7 -4.932 0.754 16.968 1.00 0.00 N ATOM 210 C4 C A 7 -3.920 1.630 16.886 1.00 0.00 C ATOM 211 N4 C A 7 -2.716 1.192 16.502 1.00 0.00 N ATOM 212 C5 C A 7 -4.109 3.019 17.188 1.00 0.00 C ATOM 213 C6 C A 7 -5.347 3.401 17.560 1.00 0.00 C ATOM 0 H5' C A 7 -8.092 7.009 18.406 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.084 6.805 20.146 1.00 0.00 H new ATOM 0 H4' C A 7 -9.355 5.056 19.125 1.00 0.00 H new ATOM 0 H3' C A 7 -6.674 4.167 20.348 1.00 0.00 H new ATOM 0 H2' C A 7 -7.491 1.853 19.901 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.839 3.103 20.156 1.00 0.00 H new ATOM 0 H1' C A 7 -8.427 2.374 17.361 1.00 0.00 H new ATOM 0 H41 C A 7 -1.934 1.844 16.434 1.00 0.00 H new ATOM 0 H42 C A 7 -2.580 0.206 16.277 1.00 0.00 H new ATOM 0 H5 C A 7 -3.296 3.727 17.120 1.00 0.00 H new ATOM 0 H6 C A 7 -5.532 4.439 17.793 1.00 0.00 H new ATOM 225 P C A 8 -7.786 3.453 22.680 1.00 0.00 P ATOM 226 OP1 C A 8 -8.703 3.743 23.805 1.00 0.00 O ATOM 227 OP2 C A 8 -6.353 3.805 22.792 1.00 0.00 O ATOM 228 O5' C A 8 -7.886 1.880 22.346 1.00 0.00 O ATOM 229 C5' C A 8 -9.119 1.194 22.412 1.00 0.00 C ATOM 230 C4' C A 8 -8.899 -0.262 21.992 1.00 0.00 C ATOM 231 O4' C A 8 -8.382 -0.351 20.667 1.00 0.00 O ATOM 232 C3' C A 8 -7.866 -0.946 22.858 1.00 0.00 C ATOM 233 O3' C A 8 -8.391 -1.349 24.105 1.00 0.00 O ATOM 234 C2' C A 8 -7.508 -2.128 21.993 1.00 0.00 C ATOM 235 O2' C A 8 -8.466 -3.152 22.156 1.00 0.00 O ATOM 236 C1' C A 8 -7.608 -1.559 20.577 1.00 0.00 C ATOM 237 N1 C A 8 -6.236 -1.271 20.090 1.00 0.00 N ATOM 238 C2 C A 8 -5.520 -2.313 19.512 1.00 0.00 C ATOM 239 O2 C A 8 -6.044 -3.415 19.358 1.00 0.00 O ATOM 240 N3 C A 8 -4.232 -2.079 19.134 1.00 0.00 N ATOM 241 C4 C A 8 -3.667 -0.877 19.320 1.00 0.00 C ATOM 242 N4 C A 8 -2.403 -0.686 18.930 1.00 0.00 N ATOM 243 C5 C A 8 -4.389 0.197 19.934 1.00 0.00 C ATOM 244 C6 C A 8 -5.664 -0.053 20.297 1.00 0.00 C ATOM 0 H5' C A 8 -9.850 1.669 21.758 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.521 1.238 23.424 1.00 0.00 H new ATOM 0 H4' C A 8 -9.877 -0.734 22.082 1.00 0.00 H new ATOM 0 H3' C A 8 -7.023 -0.310 23.129 1.00 0.00 H new ATOM 0 H2' C A 8 -6.533 -2.556 22.228 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.830 -3.118 23.065 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.689 -1.787 24.629 1.00 0.00 H new ATOM 0 H1' C A 8 -8.082 -2.254 19.884 1.00 0.00 H new ATOM 0 H41 C A 8 -1.959 0.223 19.065 1.00 0.00 H new ATOM 0 H42 C A 8 -1.882 -1.449 18.498 1.00 0.00 H new ATOM 0 H5 C A 8 -3.934 1.162 20.099 1.00 0.00 H new ATOM 0 H6 C A 8 -6.244 0.730 20.762 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.393 -8.906 15.862 1.00 0.00 O ATOM 259 C5' G B 9 2.812 -10.183 16.006 1.00 0.00 C ATOM 260 C4' G B 9 1.328 -10.047 16.354 1.00 0.00 C ATOM 261 O4' G B 9 1.144 -9.367 17.596 1.00 0.00 O ATOM 262 C3' G B 9 0.561 -9.224 15.339 1.00 0.00 C ATOM 263 O3' G B 9 0.267 -9.940 14.155 1.00 0.00 O ATOM 264 C2' G B 9 -0.678 -8.925 16.141 1.00 0.00 C ATOM 265 O2' G B 9 -1.486 -10.080 16.224 1.00 0.00 O ATOM 266 C1' G B 9 -0.096 -8.642 17.517 1.00 0.00 C ATOM 267 N9 G B 9 0.150 -7.193 17.664 1.00 0.00 N ATOM 268 C8 G B 9 1.322 -6.494 17.527 1.00 0.00 C ATOM 269 N7 G B 9 1.199 -5.211 17.727 1.00 0.00 N ATOM 270 C5 G B 9 -0.152 -5.046 18.017 1.00 0.00 C ATOM 271 C6 G B 9 -0.886 -3.862 18.324 1.00 0.00 C ATOM 272 O6 G B 9 -0.473 -2.707 18.398 1.00 0.00 O ATOM 273 N1 G B 9 -2.230 -4.138 18.555 1.00 0.00 N ATOM 274 C2 G B 9 -2.801 -5.391 18.495 1.00 0.00 C ATOM 275 N2 G B 9 -4.114 -5.466 18.736 1.00 0.00 N ATOM 276 N3 G B 9 -2.116 -6.503 18.208 1.00 0.00 N ATOM 277 C4 G B 9 -0.801 -6.256 17.981 1.00 0.00 C ATOM 0 H5' G B 9 3.328 -10.740 16.788 1.00 0.00 H new ATOM 0 H5'' G B 9 2.927 -10.750 15.082 1.00 0.00 H new ATOM 0 H4' G B 9 0.959 -11.072 16.384 1.00 0.00 H new ATOM 0 H3' G B 9 1.098 -8.353 14.965 1.00 0.00 H new ATOM 0 H2' G B 9 -1.289 -8.124 15.725 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.290 -9.880 16.748 1.00 0.00 H new ATOM 0 HO5' G B 9 4.343 -9.002 15.641 1.00 0.00 H new ATOM 0 H1' G B 9 -0.778 -8.949 18.310 1.00 0.00 H new ATOM 0 H8 G B 9 2.262 -6.963 17.276 1.00 0.00 H new ATOM 0 H1 G B 9 -2.839 -3.353 18.786 1.00 0.00 H new ATOM 0 H21 G B 9 -4.588 -6.369 18.705 1.00 0.00 H new ATOM 0 H22 G B 9 -4.642 -4.620 18.951 1.00 0.00 H new ATOM 290 P G B 10 -0.347 -9.181 12.866 1.00 0.00 P ATOM 291 OP1 G B 10 -0.514 -10.177 11.784 1.00 0.00 O ATOM 292 OP2 G B 10 0.464 -7.967 12.626 1.00 0.00 O ATOM 293 O5' G B 10 -1.816 -8.713 13.349 1.00 0.00 O ATOM 294 C5' G B 10 -2.870 -9.645 13.472 1.00 0.00 C ATOM 295 C4' G B 10 -4.160 -8.930 13.893 1.00 0.00 C ATOM 296 O4' G B 10 -4.042 -8.277 15.159 1.00 0.00 O ATOM 297 C3' G B 10 -4.572 -7.847 12.921 1.00 0.00 C ATOM 298 O3' G B 10 -5.164 -8.355 11.742 1.00 0.00 O ATOM 299 C2' G B 10 -5.565 -7.113 13.776 1.00 0.00 C ATOM 300 O2' G B 10 -6.743 -7.880 13.919 1.00 0.00 O ATOM 301 C1' G B 10 -4.843 -7.080 15.106 1.00 0.00 C ATOM 302 N9 G B 10 -3.960 -5.905 15.196 1.00 0.00 N ATOM 303 C8 G B 10 -2.607 -5.852 15.027 1.00 0.00 C ATOM 304 N7 G B 10 -2.091 -4.670 15.226 1.00 0.00 N ATOM 305 C5 G B 10 -3.189 -3.879 15.558 1.00 0.00 C ATOM 306 C6 G B 10 -3.254 -2.496 15.901 1.00 0.00 C ATOM 307 O6 G B 10 -2.335 -1.683 15.972 1.00 0.00 O ATOM 308 N1 G B 10 -4.557 -2.098 16.181 1.00 0.00 N ATOM 309 C2 G B 10 -5.661 -2.923 16.146 1.00 0.00 C ATOM 310 N2 G B 10 -6.838 -2.364 16.446 1.00 0.00 N ATOM 311 N3 G B 10 -5.604 -4.222 15.830 1.00 0.00 N ATOM 312 C4 G B 10 -4.340 -4.631 15.547 1.00 0.00 C ATOM 0 H5' G B 10 -2.609 -10.405 14.209 1.00 0.00 H new ATOM 0 H5'' G B 10 -3.023 -10.160 12.523 1.00 0.00 H new ATOM 0 H4' G B 10 -4.898 -9.731 13.929 1.00 0.00 H new ATOM 0 H3' G B 10 -3.747 -7.248 12.535 1.00 0.00 H new ATOM 0 H2' G B 10 -5.858 -6.140 13.381 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.384 -7.394 14.479 1.00 0.00 H new ATOM 0 H1' G B 10 -5.557 -7.023 15.928 1.00 0.00 H new ATOM 0 H8 G B 10 -2.015 -6.713 14.753 1.00 0.00 H new ATOM 0 H1 G B 10 -4.707 -1.121 16.431 1.00 0.00 H new ATOM 0 H21 G B 10 -7.688 -2.928 16.436 1.00 0.00 H new ATOM 0 H22 G B 10 -6.886 -1.374 16.685 1.00 0.00 H new ATOM 324 P A B 11 -5.397 -7.400 10.459 1.00 0.00 P ATOM 325 OP1 A B 11 -6.116 -8.182 9.428 1.00 0.00 O ATOM 326 OP2 A B 11 -4.103 -6.764 10.126 1.00 0.00 O ATOM 327 O5' A B 11 -6.391 -6.250 11.002 1.00 0.00 O ATOM 328 C5' A B 11 -7.758 -6.517 11.227 1.00 0.00 C ATOM 329 C4' A B 11 -8.460 -5.245 11.716 1.00 0.00 C ATOM 330 O4' A B 11 -7.917 -4.758 12.938 1.00 0.00 O ATOM 331 C3' A B 11 -8.350 -4.108 10.723 1.00 0.00 C ATOM 332 O3' A B 11 -9.278 -4.245 9.664 1.00 0.00 O ATOM 333 C2' A B 11 -8.685 -2.932 11.611 1.00 0.00 C ATOM 334 O2' A B 11 -10.076 -2.900 11.855 1.00 0.00 O ATOM 335 C1' A B 11 -7.993 -3.323 12.920 1.00 0.00 C ATOM 336 N9 A B 11 -6.627 -2.792 12.953 1.00 0.00 N ATOM 337 C8 A B 11 -5.460 -3.461 12.735 1.00 0.00 C ATOM 338 N7 A B 11 -4.392 -2.722 12.857 1.00 0.00 N ATOM 339 C5 A B 11 -4.898 -1.471 13.197 1.00 0.00 C ATOM 340 C6 A B 11 -4.282 -0.241 13.488 1.00 0.00 C ATOM 341 N6 A B 11 -2.958 -0.059 13.460 1.00 0.00 N ATOM 342 N1 A B 11 -5.079 0.792 13.820 1.00 0.00 N ATOM 343 C2 A B 11 -6.396 0.610 13.854 1.00 0.00 C ATOM 344 N3 A B 11 -7.092 -0.489 13.597 1.00 0.00 N ATOM 345 C4 A B 11 -6.263 -1.508 13.269 1.00 0.00 C ATOM 0 H5' A B 11 -7.866 -7.311 11.966 1.00 0.00 H new ATOM 0 H5'' A B 11 -8.225 -6.871 10.308 1.00 0.00 H new ATOM 0 H4' A B 11 -9.499 -5.545 11.849 1.00 0.00 H new ATOM 0 H3' A B 11 -7.385 -4.037 10.220 1.00 0.00 H new ATOM 0 H2' A B 11 -8.389 -1.970 11.192 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.527 -3.535 11.260 1.00 0.00 H new ATOM 0 H1' A B 11 -8.547 -2.927 13.772 1.00 0.00 H new ATOM 0 H8 A B 11 -5.423 -4.511 12.483 1.00 0.00 H new ATOM 0 H61 A B 11 -2.564 0.856 13.680 1.00 0.00 H new ATOM 0 H62 A B 11 -2.342 -0.835 13.219 1.00 0.00 H new ATOM 0 H2 A B 11 -6.979 1.477 14.129 1.00 0.00 H new ATOM 357 P G B 12 -9.113 -3.396 8.306 1.00 0.00 P ATOM 358 OP1 G B 12 -10.307 -3.634 7.465 1.00 0.00 O ATOM 359 OP2 G B 12 -7.765 -3.671 7.760 1.00 0.00 O ATOM 360 O5' G B 12 -9.144 -1.866 8.801 1.00 0.00 O ATOM 361 C5' G B 12 -10.348 -1.249 9.209 1.00 0.00 C ATOM 362 C4' G B 12 -10.065 0.190 9.570 1.00 0.00 C ATOM 363 O4' G B 12 -9.195 0.272 10.685 1.00 0.00 O ATOM 364 C3' G B 12 -9.352 0.912 8.475 1.00 0.00 C ATOM 365 O3' G B 12 -10.214 1.236 7.398 1.00 0.00 O ATOM 366 C2' G B 12 -8.935 2.126 9.255 1.00 0.00 C ATOM 367 O2' G B 12 -10.060 2.944 9.504 1.00 0.00 O ATOM 368 C1' G B 12 -8.496 1.505 10.570 1.00 0.00 C ATOM 369 N9 G B 12 -7.038 1.276 10.587 1.00 0.00 N ATOM 370 C8 G B 12 -6.344 0.105 10.428 1.00 0.00 C ATOM 371 N7 G B 12 -5.049 0.237 10.541 1.00 0.00 N ATOM 372 C5 G B 12 -4.872 1.597 10.790 1.00 0.00 C ATOM 373 C6 G B 12 -3.675 2.350 11.003 1.00 0.00 C ATOM 374 O6 G B 12 -2.508 1.958 11.026 1.00 0.00 O ATOM 375 N1 G B 12 -3.951 3.695 11.197 1.00 0.00 N ATOM 376 C2 G B 12 -5.206 4.256 11.207 1.00 0.00 C ATOM 377 N2 G B 12 -5.270 5.576 11.418 1.00 0.00 N ATOM 378 N3 G B 12 -6.329 3.558 11.020 1.00 0.00 N ATOM 379 C4 G B 12 -6.087 2.239 10.815 1.00 0.00 C ATOM 0 H5' G B 12 -10.770 -1.776 10.065 1.00 0.00 H new ATOM 0 H5'' G B 12 -11.086 -1.298 8.409 1.00 0.00 H new ATOM 0 H4' G B 12 -11.040 0.634 9.770 1.00 0.00 H new ATOM 0 H3' G B 12 -8.548 0.362 7.985 1.00 0.00 H new ATOM 0 H2' G B 12 -8.184 2.737 8.755 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.743 2.778 8.821 1.00 0.00 H new ATOM 0 H1' G B 12 -8.720 2.168 11.406 1.00 0.00 H new ATOM 0 H8 G B 12 -6.824 -0.841 10.227 1.00 0.00 H new ATOM 0 H1 G B 12 -3.158 4.319 11.344 1.00 0.00 H new ATOM 0 H21 G B 12 -6.175 6.046 11.436 1.00 0.00 H new ATOM 0 H22 G B 12 -4.414 6.112 11.561 1.00 0.00 H new ATOM 391 P U B 13 -9.625 1.692 5.969 1.00 0.00 P ATOM 392 OP1 U B 13 -10.751 2.165 5.134 1.00 0.00 O ATOM 393 OP2 U B 13 -8.748 0.609 5.473 1.00 0.00 O ATOM 394 O5' U B 13 -8.696 2.955 6.324 1.00 0.00 O ATOM 395 C5' U B 13 -9.251 4.206 6.673 1.00 0.00 C ATOM 396 C4' U B 13 -8.108 5.177 6.983 1.00 0.00 C ATOM 397 O4' U B 13 -7.301 4.716 8.063 1.00 0.00 O ATOM 398 C3' U B 13 -7.178 5.314 5.792 1.00 0.00 C ATOM 399 O3' U B 13 -7.648 6.265 4.845 1.00 0.00 O ATOM 400 C2' U B 13 -5.906 5.751 6.440 1.00 0.00 C ATOM 401 O2' U B 13 -5.933 7.146 6.661 1.00 0.00 O ATOM 402 C1' U B 13 -5.933 5.038 7.777 1.00 0.00 C ATOM 403 N1 U B 13 -5.110 3.807 7.758 1.00 0.00 N ATOM 404 C2 U B 13 -3.753 3.942 8.010 1.00 0.00 C ATOM 405 O2 U B 13 -3.233 5.038 8.204 1.00 0.00 O ATOM 406 N3 U B 13 -3.011 2.769 8.034 1.00 0.00 N ATOM 407 C4 U B 13 -3.521 1.487 7.870 1.00 0.00 C ATOM 408 O4 U B 13 -2.779 0.509 7.904 1.00 0.00 O ATOM 409 C5 U B 13 -4.958 1.446 7.675 1.00 0.00 C ATOM 410 C6 U B 13 -5.683 2.576 7.623 1.00 0.00 C ATOM 0 H5' U B 13 -9.904 4.102 7.539 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.863 4.590 5.857 1.00 0.00 H new ATOM 0 H4' U B 13 -8.582 6.126 7.234 1.00 0.00 H new ATOM 0 H3' U B 13 -7.082 4.397 5.210 1.00 0.00 H new ATOM 0 H2' U B 13 -5.024 5.528 5.840 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.734 7.528 6.244 1.00 0.00 H new ATOM 0 H1' U B 13 -5.512 5.685 8.546 1.00 0.00 H new ATOM 0 H3 U B 13 -2.006 2.856 8.185 1.00 0.00 H new ATOM 0 H5 U B 13 -5.453 0.492 7.570 1.00 0.00 H new ATOM 0 H6 U B 13 -6.750 2.508 7.470 1.00 0.00 H new ATOM 421 P U B 14 -6.924 6.443 3.407 1.00 0.00 P ATOM 422 OP1 U B 14 -7.794 7.291 2.561 1.00 0.00 O ATOM 423 OP2 U B 14 -6.530 5.098 2.932 1.00 0.00 O ATOM 424 O5' U B 14 -5.568 7.278 3.718 1.00 0.00 O ATOM 425 C5' U B 14 -5.587 8.690 3.875 1.00 0.00 C ATOM 426 C4' U B 14 -4.146 9.224 3.988 1.00 0.00 C ATOM 427 O4' U B 14 -3.503 8.763 5.170 1.00 0.00 O ATOM 428 C3' U B 14 -3.269 8.762 2.835 1.00 0.00 C ATOM 429 O3' U B 14 -3.441 9.538 1.665 1.00 0.00 O ATOM 430 C2' U B 14 -1.908 8.980 3.433 1.00 0.00 C ATOM 431 O2' U B 14 -1.589 10.356 3.420 1.00 0.00 O ATOM 432 C1' U B 14 -2.116 8.549 4.866 1.00 0.00 C ATOM 433 N1 U B 14 -1.788 7.119 5.038 1.00 0.00 N ATOM 434 C2 U B 14 -0.460 6.764 5.220 1.00 0.00 C ATOM 435 O2 U B 14 0.454 7.583 5.163 1.00 0.00 O ATOM 436 N3 U B 14 -0.221 5.423 5.477 1.00 0.00 N ATOM 437 C4 U B 14 -1.182 4.429 5.580 1.00 0.00 C ATOM 438 O4 U B 14 -0.860 3.268 5.815 1.00 0.00 O ATOM 439 C5 U B 14 -2.533 4.900 5.390 1.00 0.00 C ATOM 440 C6 U B 14 -2.780 6.199 5.125 1.00 0.00 C ATOM 0 H5' U B 14 -6.154 8.958 4.766 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.090 9.152 3.026 1.00 0.00 H new ATOM 0 H4' U B 14 -4.250 10.309 3.989 1.00 0.00 H new ATOM 0 H3' U B 14 -3.480 7.746 2.500 1.00 0.00 H new ATOM 0 H2' U B 14 -1.113 8.451 2.907 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.210 10.830 2.829 1.00 0.00 H new ATOM 0 H1' U B 14 -1.467 9.120 5.530 1.00 0.00 H new ATOM 0 H3 U B 14 0.751 5.142 5.602 1.00 0.00 H new ATOM 0 H5 U B 14 -3.356 4.204 5.461 1.00 0.00 H new ATOM 0 H6 U B 14 -3.802 6.517 4.977 1.00 0.00 H new ATOM 451 P C B 15 -2.835 9.039 0.251 1.00 0.00 P ATOM 452 OP1 C B 15 -3.069 10.104 -0.750 1.00 0.00 O ATOM 453 OP2 C B 15 -3.345 7.674 -0.001 1.00 0.00 O ATOM 454 O5' C B 15 -1.240 8.933 0.508 1.00 0.00 O ATOM 455 C5' C B 15 -0.414 10.082 0.502 1.00 0.00 C ATOM 456 C4' C B 15 1.055 9.661 0.663 1.00 0.00 C ATOM 457 O4' C B 15 1.298 9.002 1.912 1.00 0.00 O ATOM 458 C3' C B 15 1.473 8.665 -0.398 1.00 0.00 C ATOM 459 O3' C B 15 1.736 9.280 -1.647 1.00 0.00 O ATOM 460 C2' C B 15 2.726 8.122 0.237 1.00 0.00 C ATOM 461 O2' C B 15 3.769 9.063 0.111 1.00 0.00 O ATOM 462 C1' C B 15 2.344 8.030 1.703 1.00 0.00 C ATOM 463 N1 C B 15 1.865 6.665 2.044 1.00 0.00 N ATOM 464 C2 C B 15 2.825 5.700 2.338 1.00 0.00 C ATOM 465 O2 C B 15 4.021 5.970 2.262 1.00 0.00 O ATOM 466 N3 C B 15 2.399 4.459 2.710 1.00 0.00 N ATOM 467 C4 C B 15 1.091 4.176 2.792 1.00 0.00 C ATOM 468 N4 C B 15 0.719 2.948 3.169 1.00 0.00 N ATOM 469 C5 C B 15 0.095 5.164 2.496 1.00 0.00 C ATOM 470 C6 C B 15 0.533 6.385 2.132 1.00 0.00 C ATOM 0 H5' C B 15 -0.701 10.753 1.311 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.545 10.632 -0.430 1.00 0.00 H new ATOM 0 H4' C B 15 1.618 10.592 0.590 1.00 0.00 H new ATOM 0 H3' C B 15 0.717 7.919 -0.644 1.00 0.00 H new ATOM 0 H2' C B 15 3.060 7.183 -0.205 1.00 0.00 H new ATOM 0 HO2' C B 15 3.479 9.796 -0.471 1.00 0.00 H new ATOM 0 H1' C B 15 3.204 8.229 2.343 1.00 0.00 H new ATOM 0 H41 C B 15 -0.271 2.714 3.237 1.00 0.00 H new ATOM 0 H42 C B 15 1.426 2.246 3.388 1.00 0.00 H new ATOM 0 H5 C B 15 -0.959 4.939 2.562 1.00 0.00 H new ATOM 0 H6 C B 15 -0.186 7.158 1.905 1.00 0.00 H new ATOM 482 P C B 16 1.956 8.389 -2.975 1.00 0.00 P ATOM 483 OP1 C B 16 2.272 9.301 -4.097 1.00 0.00 O ATOM 484 OP2 C B 16 0.815 7.454 -3.090 1.00 0.00 O ATOM 485 O5' C B 16 3.274 7.526 -2.645 1.00 0.00 O ATOM 486 C5' C B 16 4.562 8.103 -2.709 1.00 0.00 C ATOM 487 C4' C B 16 5.599 7.055 -2.295 1.00 0.00 C ATOM 488 O4' C B 16 5.366 6.582 -0.970 1.00 0.00 O ATOM 489 C3' C B 16 5.527 5.820 -3.166 1.00 0.00 C ATOM 490 O3' C B 16 6.170 5.998 -4.409 1.00 0.00 O ATOM 491 C2' C B 16 6.259 4.823 -2.306 1.00 0.00 C ATOM 492 O2' C B 16 7.654 4.985 -2.467 1.00 0.00 O ATOM 493 C1' C B 16 5.860 5.233 -0.888 1.00 0.00 C ATOM 494 N1 C B 16 4.799 4.312 -0.414 1.00 0.00 N ATOM 495 C2 C B 16 5.193 3.109 0.164 1.00 0.00 C ATOM 496 O2 C B 16 6.385 2.861 0.330 1.00 0.00 O ATOM 497 N3 C B 16 4.224 2.222 0.531 1.00 0.00 N ATOM 498 C4 C B 16 2.927 2.499 0.334 1.00 0.00 C ATOM 499 N4 C B 16 2.009 1.605 0.713 1.00 0.00 N ATOM 500 C5 C B 16 2.512 3.725 -0.277 1.00 0.00 C ATOM 501 C6 C B 16 3.484 4.592 -0.630 1.00 0.00 C ATOM 0 H5' C B 16 4.619 8.970 -2.051 1.00 0.00 H new ATOM 0 H5'' C B 16 4.767 8.456 -3.720 1.00 0.00 H new ATOM 0 H4' C B 16 6.562 7.558 -2.385 1.00 0.00 H new ATOM 0 H3' C B 16 4.512 5.532 -3.438 1.00 0.00 H new ATOM 0 H2' C B 16 6.021 3.787 -2.547 1.00 0.00 H new ATOM 0 HO2' C B 16 7.852 5.208 -3.401 1.00 0.00 H new ATOM 0 HO3' C B 16 6.099 5.174 -4.935 1.00 0.00 H new ATOM 0 H1' C B 16 6.697 5.182 -0.191 1.00 0.00 H new ATOM 0 H41 C B 16 1.018 1.800 0.570 1.00 0.00 H new ATOM 0 H42 C B 16 2.299 0.728 1.145 1.00 0.00 H new ATOM 0 H5 C B 16 1.469 3.946 -0.448 1.00 0.00 H new ATOM 0 H6 C B 16 3.213 5.529 -1.094 1.00 0.00 H new TER 514 C B 16