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= -0.223 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0105 USER MOD Single : A 2 G O2' : rot 180:sc= -0.375 USER MOD Single : A 3 A O2' : rot -31:sc= 0.156 USER MOD Single : A 4 U O2' : rot 180:sc= -0.272 USER MOD Single : A 5 G O2' : rot -8:sc= 0.117 USER MOD Single : A 6 U O2' : rot -16:sc= -0.405 USER MOD Single : A 7 C O2' : rot 180:sc= -0.289 USER MOD Single : A 8 C O2' : rot -21:sc= 0.132 USER MOD Single : A 8 C O3' : rot 180:sc= 0.169 USER MOD Single : B 9 G O2' : rot 180:sc= -0.216 USER MOD Single : B 9 G O5' : rot 180:sc= -0.0069 USER MOD Single : B 10 G O2' : rot 180:sc= -0.375 USER MOD Single : B 11 A O2' : rot -24:sc= 0.155 USER MOD Single : B 12 U O2' : rot -1:sc= -0.19 USER MOD Single : B 13 G O2' : rot -7:sc= 0.105 USER MOD Single : B 14 U O2' : rot -15:sc= -0.435 USER MOD Single : B 15 C O2' : rot -10:sc= -0.191 USER MOD Single : B 16 C O2' : rot -27:sc= 0.118 USER MOD Single : B 16 C O3' : rot 180:sc= 0.148 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.323 -8.008 5.623 1.00 0.00 O ATOM 2 C5' G A 1 6.659 -8.454 5.712 1.00 0.00 C ATOM 3 C4' G A 1 7.611 -7.355 5.236 1.00 0.00 C ATOM 4 O4' G A 1 7.380 -7.023 3.867 1.00 0.00 O ATOM 5 C3' G A 1 7.432 -6.057 6.000 1.00 0.00 C ATOM 6 O3' G A 1 8.042 -6.091 7.277 1.00 0.00 O ATOM 7 C2' G A 1 8.122 -5.101 5.056 1.00 0.00 C ATOM 8 O2' G A 1 9.524 -5.254 5.148 1.00 0.00 O ATOM 9 C1' G A 1 7.656 -5.623 3.697 1.00 0.00 C ATOM 10 N9 G A 1 6.418 -4.916 3.300 1.00 0.00 N ATOM 11 C8 G A 1 5.122 -5.365 3.322 1.00 0.00 C ATOM 12 N7 G A 1 4.249 -4.485 2.920 1.00 0.00 N ATOM 13 C5 G A 1 5.018 -3.368 2.608 1.00 0.00 C ATOM 14 C6 G A 1 4.618 -2.088 2.121 1.00 0.00 C ATOM 15 O6 G A 1 3.484 -1.689 1.869 1.00 0.00 O ATOM 16 N1 G A 1 5.710 -1.247 1.935 1.00 0.00 N ATOM 17 C2 G A 1 7.022 -1.587 2.187 1.00 0.00 C ATOM 18 N2 G A 1 7.943 -0.646 1.955 1.00 0.00 N ATOM 19 N3 G A 1 7.400 -2.785 2.647 1.00 0.00 N ATOM 20 C4 G A 1 6.349 -3.624 2.835 1.00 0.00 C ATOM 0 H5' G A 1 6.793 -9.350 5.106 1.00 0.00 H new ATOM 0 H5'' G A 1 6.892 -8.728 6.741 1.00 0.00 H new ATOM 0 H4' G A 1 8.609 -7.764 5.395 1.00 0.00 H new ATOM 0 H3' G A 1 6.398 -5.803 6.233 1.00 0.00 H new ATOM 0 H2' G A 1 7.899 -4.052 5.249 1.00 0.00 H new ATOM 0 HO2' G A 1 9.962 -4.631 4.532 1.00 0.00 H new ATOM 0 HO5' G A 1 4.720 -8.718 5.928 1.00 0.00 H new ATOM 0 H1' G A 1 8.410 -5.461 2.927 1.00 0.00 H new ATOM 0 H8 G A 1 4.849 -6.359 3.644 1.00 0.00 H new ATOM 0 H1 G A 1 5.526 -0.307 1.585 1.00 0.00 H new ATOM 0 H21 G A 1 8.929 -0.845 2.125 1.00 0.00 H new ATOM 0 H22 G A 1 7.660 0.270 1.608 1.00 0.00 H new ATOM 33 P G A 2 7.695 -4.971 8.392 1.00 0.00 P ATOM 34 OP1 G A 2 8.470 -5.283 9.613 1.00 0.00 O ATOM 35 OP2 G A 2 6.222 -4.852 8.471 1.00 0.00 O ATOM 36 O5' G A 2 8.273 -3.602 7.769 1.00 0.00 O ATOM 37 C5' G A 2 9.661 -3.348 7.736 1.00 0.00 C ATOM 38 C4' G A 2 9.920 -1.992 7.075 1.00 0.00 C ATOM 39 O4' G A 2 9.394 -1.955 5.746 1.00 0.00 O ATOM 40 C3' G A 2 9.244 -0.843 7.798 1.00 0.00 C ATOM 41 O3' G A 2 9.929 -0.450 8.975 1.00 0.00 O ATOM 42 C2' G A 2 9.320 0.205 6.715 1.00 0.00 C ATOM 43 O2' G A 2 10.649 0.664 6.576 1.00 0.00 O ATOM 44 C1' G A 2 8.952 -0.614 5.483 1.00 0.00 C ATOM 45 N9 G A 2 7.481 -0.588 5.310 1.00 0.00 N ATOM 46 C8 G A 2 6.558 -1.558 5.612 1.00 0.00 C ATOM 47 N7 G A 2 5.327 -1.218 5.353 1.00 0.00 N ATOM 48 C5 G A 2 5.435 0.074 4.849 1.00 0.00 C ATOM 49 C6 G A 2 4.420 0.968 4.401 1.00 0.00 C ATOM 50 O6 G A 2 3.207 0.778 4.352 1.00 0.00 O ATOM 51 N1 G A 2 4.952 2.182 3.987 1.00 0.00 N ATOM 52 C2 G A 2 6.294 2.500 3.992 1.00 0.00 C ATOM 53 N2 G A 2 6.624 3.721 3.558 1.00 0.00 N ATOM 54 N3 G A 2 7.251 1.662 4.407 1.00 0.00 N ATOM 55 C4 G A 2 6.750 0.470 4.822 1.00 0.00 C ATOM 0 H5' G A 2 10.172 -4.137 7.184 1.00 0.00 H new ATOM 0 H5'' G A 2 10.066 -3.354 8.748 1.00 0.00 H new ATOM 0 H4' G A 2 11.004 -1.879 7.098 1.00 0.00 H new ATOM 0 H3' G A 2 8.243 -1.062 8.170 1.00 0.00 H new ATOM 0 H2' G A 2 8.695 1.079 6.897 1.00 0.00 H new ATOM 0 HO2' G A 2 10.689 1.343 5.870 1.00 0.00 H new ATOM 0 H1' G A 2 9.412 -0.221 4.576 1.00 0.00 H new ATOM 0 H8 G A 2 6.828 -2.518 6.027 1.00 0.00 H new ATOM 0 H1 G A 2 4.301 2.893 3.654 1.00 0.00 H new ATOM 0 H21 G A 2 7.602 4.009 3.540 1.00 0.00 H new ATOM 0 H22 G A 2 5.897 4.364 3.245 1.00 0.00 H new ATOM 67 P A A 3 9.207 0.487 10.086 1.00 0.00 P ATOM 68 OP1 A A 3 10.183 0.747 11.167 1.00 0.00 O ATOM 69 OP2 A A 3 7.898 -0.121 10.411 1.00 0.00 O ATOM 70 O5' A A 3 8.931 1.879 9.316 1.00 0.00 O ATOM 71 C5' A A 3 9.994 2.742 8.977 1.00 0.00 C ATOM 72 C4' A A 3 9.455 3.958 8.218 1.00 0.00 C ATOM 73 O4' A A 3 8.718 3.559 7.059 1.00 0.00 O ATOM 74 C3' A A 3 8.491 4.805 9.025 1.00 0.00 C ATOM 75 O3' A A 3 9.156 5.672 9.922 1.00 0.00 O ATOM 76 C2' A A 3 7.803 5.574 7.935 1.00 0.00 C ATOM 77 O2' A A 3 8.653 6.601 7.470 1.00 0.00 O ATOM 78 C1' A A 3 7.659 4.512 6.851 1.00 0.00 C ATOM 79 N9 A A 3 6.341 3.842 6.977 1.00 0.00 N ATOM 80 C8 A A 3 6.052 2.562 7.380 1.00 0.00 C ATOM 81 N7 A A 3 4.784 2.262 7.325 1.00 0.00 N ATOM 82 C5 A A 3 4.186 3.430 6.869 1.00 0.00 C ATOM 83 C6 A A 3 2.848 3.773 6.604 1.00 0.00 C ATOM 84 N6 A A 3 1.828 2.919 6.753 1.00 0.00 N ATOM 85 N1 A A 3 2.596 5.029 6.193 1.00 0.00 N ATOM 86 C2 A A 3 3.610 5.877 6.046 1.00 0.00 C ATOM 87 N3 A A 3 4.905 5.672 6.248 1.00 0.00 N ATOM 88 C4 A A 3 5.125 4.404 6.668 1.00 0.00 C ATOM 0 H5' A A 3 10.722 2.212 8.363 1.00 0.00 H new ATOM 0 H5'' A A 3 10.513 3.066 9.879 1.00 0.00 H new ATOM 0 H4' A A 3 10.349 4.533 7.975 1.00 0.00 H new ATOM 0 H3' A A 3 7.827 4.224 9.665 1.00 0.00 H new ATOM 0 H2' A A 3 6.866 6.041 8.240 1.00 0.00 H new ATOM 0 HO2' A A 3 9.222 6.912 8.204 1.00 0.00 H new ATOM 0 H1' A A 3 7.721 4.953 5.856 1.00 0.00 H new ATOM 0 H8 A A 3 6.807 1.866 7.713 1.00 0.00 H new ATOM 0 H61 A A 3 0.876 3.221 6.546 1.00 0.00 H new ATOM 0 H62 A A 3 2.003 1.967 7.073 1.00 0.00 H new ATOM 0 H2 A A 3 3.342 6.870 5.717 1.00 0.00 H new ATOM 100 P U A 4 8.780 5.682 11.482 1.00 0.00 P ATOM 101 OP1 U A 4 9.751 6.541 12.195 1.00 0.00 O ATOM 102 OP2 U A 4 8.556 4.288 11.923 1.00 0.00 O ATOM 103 O5' U A 4 7.364 6.443 11.433 1.00 0.00 O ATOM 104 C5' U A 4 7.304 7.818 11.107 1.00 0.00 C ATOM 105 C4' U A 4 5.856 8.229 10.842 1.00 0.00 C ATOM 106 O4' U A 4 5.328 7.533 9.716 1.00 0.00 O ATOM 107 C3' U A 4 4.928 7.900 11.990 1.00 0.00 C ATOM 108 O3' U A 4 5.038 8.833 13.049 1.00 0.00 O ATOM 109 C2' U A 4 3.595 7.984 11.284 1.00 0.00 C ATOM 110 O2' U A 4 3.240 9.338 11.103 1.00 0.00 O ATOM 111 C1' U A 4 3.916 7.380 9.914 1.00 0.00 C ATOM 112 N1 U A 4 3.542 5.945 9.887 1.00 0.00 N ATOM 113 C2 U A 4 2.208 5.648 9.663 1.00 0.00 C ATOM 114 O2 U A 4 1.368 6.528 9.490 1.00 0.00 O ATOM 115 N3 U A 4 1.870 4.303 9.641 1.00 0.00 N ATOM 116 C4 U A 4 2.745 3.245 9.832 1.00 0.00 C ATOM 117 O4 U A 4 2.338 2.086 9.806 1.00 0.00 O ATOM 118 C5 U A 4 4.121 3.645 10.045 1.00 0.00 C ATOM 119 C6 U A 4 4.473 4.952 10.063 1.00 0.00 C ATOM 0 H5' U A 4 7.915 8.019 10.227 1.00 0.00 H new ATOM 0 H5'' U A 4 7.716 8.412 11.923 1.00 0.00 H new ATOM 0 H4' U A 4 5.897 9.307 10.685 1.00 0.00 H new ATOM 0 H3' U A 4 5.124 6.946 12.480 1.00 0.00 H new ATOM 0 H2' U A 4 2.784 7.492 11.820 1.00 0.00 H new ATOM 0 HO2' U A 4 2.376 9.391 10.644 1.00 0.00 H new ATOM 0 H1' U A 4 3.356 7.879 9.123 1.00 0.00 H new ATOM 0 H3 U A 4 0.891 4.072 9.469 1.00 0.00 H new ATOM 0 H5 U A 4 4.878 2.889 10.192 1.00 0.00 H new ATOM 0 H6 U A 4 5.508 5.219 10.219 1.00 0.00 H new ATOM 130 P G A 5 4.277 8.587 14.450 1.00 0.00 P ATOM 131 OP1 G A 5 4.680 9.658 15.388 1.00 0.00 O ATOM 132 OP2 G A 5 4.467 7.169 14.829 1.00 0.00 O ATOM 133 O5' G A 5 2.725 8.804 14.081 1.00 0.00 O ATOM 134 C5' G A 5 2.197 10.101 13.881 1.00 0.00 C ATOM 135 C4' G A 5 0.709 9.991 13.541 1.00 0.00 C ATOM 136 O4' G A 5 0.505 9.219 12.363 1.00 0.00 O ATOM 137 C3' G A 5 -0.060 9.258 14.619 1.00 0.00 C ATOM 138 O3' G A 5 -0.341 10.080 15.740 1.00 0.00 O ATOM 139 C2' G A 5 -1.311 8.889 13.861 1.00 0.00 C ATOM 140 O2' G A 5 -2.210 9.977 13.858 1.00 0.00 O ATOM 141 C1' G A 5 -0.810 8.657 12.441 1.00 0.00 C ATOM 142 N9 G A 5 -0.782 7.209 12.167 1.00 0.00 N ATOM 143 C8 G A 5 0.264 6.336 12.262 1.00 0.00 C ATOM 144 N7 G A 5 -0.046 5.100 11.977 1.00 0.00 N ATOM 145 C5 G A 5 -1.404 5.159 11.678 1.00 0.00 C ATOM 146 C6 G A 5 -2.312 4.122 11.302 1.00 0.00 C ATOM 147 O6 G A 5 -2.089 2.924 11.136 1.00 0.00 O ATOM 148 N1 G A 5 -3.594 4.613 11.119 1.00 0.00 N ATOM 149 C2 G A 5 -3.972 5.928 11.264 1.00 0.00 C ATOM 150 N2 G A 5 -5.260 6.207 11.036 1.00 0.00 N ATOM 151 N3 G A 5 -3.128 6.904 11.609 1.00 0.00 N ATOM 152 C4 G A 5 -1.864 6.448 11.801 1.00 0.00 C ATOM 0 H5' G A 5 2.731 10.604 13.074 1.00 0.00 H new ATOM 0 H5'' G A 5 2.334 10.705 14.778 1.00 0.00 H new ATOM 0 H4' G A 5 0.364 11.018 13.426 1.00 0.00 H new ATOM 0 H3' G A 5 0.475 8.415 15.056 1.00 0.00 H new ATOM 0 H2' G A 5 -1.829 8.031 14.290 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.876 10.679 14.455 1.00 0.00 H new ATOM 0 H1' G A 5 -1.460 9.125 11.702 1.00 0.00 H new ATOM 0 H8 G A 5 1.260 6.641 12.548 1.00 0.00 H new ATOM 0 H1 G A 5 -4.318 3.945 10.855 1.00 0.00 H new ATOM 0 H21 G A 5 -5.598 7.165 11.128 1.00 0.00 H new ATOM 0 H22 G A 5 -5.904 5.462 10.770 1.00 0.00 H new ATOM 164 P U A 6 -0.854 9.439 17.136 1.00 0.00 P ATOM 165 OP1 U A 6 -0.994 10.536 18.119 1.00 0.00 O ATOM 166 OP2 U A 6 0.017 8.285 17.448 1.00 0.00 O ATOM 167 O5' U A 6 -2.333 8.871 16.810 1.00 0.00 O ATOM 168 C5' U A 6 -3.464 9.720 16.804 1.00 0.00 C ATOM 169 C4' U A 6 -4.738 8.890 16.570 1.00 0.00 C ATOM 170 O4' U A 6 -4.736 8.264 15.281 1.00 0.00 O ATOM 171 C3' U A 6 -4.883 7.748 17.563 1.00 0.00 C ATOM 172 O3' U A 6 -5.366 8.152 18.828 1.00 0.00 O ATOM 173 C2' U A 6 -5.897 6.907 16.836 1.00 0.00 C ATOM 174 O2' U A 6 -7.168 7.517 16.918 1.00 0.00 O ATOM 175 C1' U A 6 -5.413 6.996 15.401 1.00 0.00 C ATOM 176 N1 U A 6 -4.477 5.887 15.091 1.00 0.00 N ATOM 177 C2 U A 6 -5.012 4.724 14.554 1.00 0.00 C ATOM 178 O2 U A 6 -6.220 4.572 14.389 1.00 0.00 O ATOM 179 N3 U A 6 -4.105 3.736 14.212 1.00 0.00 N ATOM 180 C4 U A 6 -2.729 3.807 14.356 1.00 0.00 C ATOM 181 O4 U A 6 -2.018 2.858 14.036 1.00 0.00 O ATOM 182 C5 U A 6 -2.259 5.060 14.903 1.00 0.00 C ATOM 183 C6 U A 6 -3.128 6.034 15.253 1.00 0.00 C ATOM 0 H5' U A 6 -3.361 10.473 16.022 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.535 10.253 17.752 1.00 0.00 H new ATOM 0 H4' U A 6 -5.551 9.608 16.674 1.00 0.00 H new ATOM 0 H3' U A 6 -3.941 7.259 17.810 1.00 0.00 H new ATOM 0 H2' U A 6 -5.987 5.893 17.227 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.163 8.189 17.631 1.00 0.00 H new ATOM 0 H1' U A 6 -6.247 6.918 14.703 1.00 0.00 H new ATOM 0 H3 U A 6 -4.485 2.876 13.817 1.00 0.00 H new ATOM 0 H5 U A 6 -1.199 5.220 15.034 1.00 0.00 H new ATOM 0 H6 U A 6 -2.746 6.953 15.672 1.00 0.00 H new ATOM 194 P C A 7 -5.306 7.142 20.091 1.00 0.00 P ATOM 195 OP1 C A 7 -5.997 7.786 21.229 1.00 0.00 O ATOM 196 OP2 C A 7 -3.903 6.695 20.244 1.00 0.00 O ATOM 197 O5' C A 7 -6.185 5.863 19.626 1.00 0.00 O ATOM 198 C5' C A 7 -7.598 5.907 19.630 1.00 0.00 C ATOM 199 C4' C A 7 -8.167 4.550 19.189 1.00 0.00 C ATOM 200 O4' C A 7 -7.751 4.190 17.866 1.00 0.00 O ATOM 201 C3' C A 7 -7.687 3.413 20.064 1.00 0.00 C ATOM 202 O3' C A 7 -8.346 3.377 21.317 1.00 0.00 O ATOM 203 C2' C A 7 -8.060 2.237 19.191 1.00 0.00 C ATOM 204 O2' C A 7 -9.452 2.015 19.263 1.00 0.00 O ATOM 205 C1' C A 7 -7.722 2.748 17.789 1.00 0.00 C ATOM 206 N1 C A 7 -6.379 2.255 17.380 1.00 0.00 N ATOM 207 C2 C A 7 -6.278 0.918 17.008 1.00 0.00 C ATOM 208 O2 C A 7 -7.274 0.197 17.009 1.00 0.00 O ATOM 209 N3 C A 7 -5.056 0.436 16.646 1.00 0.00 N ATOM 210 C4 C A 7 -3.975 1.228 16.655 1.00 0.00 C ATOM 211 N4 C A 7 -2.796 0.718 16.289 1.00 0.00 N ATOM 212 C5 C A 7 -4.063 2.605 17.033 1.00 0.00 C ATOM 213 C6 C A 7 -5.281 3.073 17.379 1.00 0.00 C ATOM 0 H5' C A 7 -7.948 6.692 18.960 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.960 6.155 20.628 1.00 0.00 H new ATOM 0 H4' C A 7 -9.247 4.682 19.253 1.00 0.00 H new ATOM 0 H3' C A 7 -6.634 3.466 20.341 1.00 0.00 H new ATOM 0 H2' C A 7 -7.557 1.311 19.470 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.692 1.253 18.695 1.00 0.00 H new ATOM 0 H1' C A 7 -8.432 2.391 17.043 1.00 0.00 H new ATOM 0 H41 C A 7 -1.963 1.307 16.290 1.00 0.00 H new ATOM 0 H42 C A 7 -2.729 -0.260 16.008 1.00 0.00 H new ATOM 0 H5 C A 7 -3.192 3.243 17.041 1.00 0.00 H new ATOM 0 H6 C A 7 -5.391 4.110 17.660 1.00 0.00 H new ATOM 225 P C A 8 -7.790 2.447 22.514 1.00 0.00 P ATOM 226 OP1 C A 8 -8.689 2.611 23.679 1.00 0.00 O ATOM 227 OP2 C A 8 -6.343 2.715 22.662 1.00 0.00 O ATOM 228 O5' C A 8 -7.962 0.945 21.958 1.00 0.00 O ATOM 229 C5' C A 8 -9.224 0.309 21.944 1.00 0.00 C ATOM 230 C4' C A 8 -9.060 -1.123 21.427 1.00 0.00 C ATOM 231 O4' C A 8 -8.561 -1.147 20.097 1.00 0.00 O ATOM 232 C3' C A 8 -8.038 -1.899 22.225 1.00 0.00 C ATOM 233 O3' C A 8 -8.534 -2.338 23.471 1.00 0.00 O ATOM 234 C2' C A 8 -7.746 -3.042 21.301 1.00 0.00 C ATOM 235 O2' C A 8 -8.766 -4.015 21.393 1.00 0.00 O ATOM 236 C1' C A 8 -7.805 -2.361 19.939 1.00 0.00 C ATOM 237 N1 C A 8 -6.422 -2.062 19.503 1.00 0.00 N ATOM 238 C2 C A 8 -5.713 -3.078 18.868 1.00 0.00 C ATOM 239 O2 C A 8 -6.258 -4.150 18.612 1.00 0.00 O ATOM 240 N3 C A 8 -4.409 -2.852 18.547 1.00 0.00 N ATOM 241 C4 C A 8 -3.820 -1.686 18.848 1.00 0.00 C ATOM 242 N4 C A 8 -2.539 -1.503 18.513 1.00 0.00 N ATOM 243 C5 C A 8 -4.533 -0.644 19.524 1.00 0.00 C ATOM 244 C6 C A 8 -5.825 -0.878 19.824 1.00 0.00 C ATOM 0 H5' C A 8 -9.916 0.861 21.308 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.651 0.300 22.947 1.00 0.00 H new ATOM 0 H4' C A 8 -10.055 -1.561 21.503 1.00 0.00 H new ATOM 0 H3' C A 8 -7.163 -1.310 22.500 1.00 0.00 H new ATOM 0 H2' C A 8 -6.807 -3.554 21.509 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.242 -3.911 22.243 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.835 -2.835 23.945 1.00 0.00 H new ATOM 0 H1' C A 8 -8.278 -2.994 19.189 1.00 0.00 H new ATOM 0 H41 C A 8 -2.075 -0.622 18.734 1.00 0.00 H new ATOM 0 H42 C A 8 -2.026 -2.244 18.036 1.00 0.00 H new ATOM 0 H5 C A 8 -4.055 0.289 19.782 1.00 0.00 H new ATOM 0 H6 C A 8 -6.399 -0.114 20.328 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.437 -9.316 13.804 1.00 0.00 O ATOM 259 C5' G B 9 1.872 -10.607 13.705 1.00 0.00 C ATOM 260 C4' G B 9 0.420 -10.592 14.196 1.00 0.00 C ATOM 261 O4' G B 9 0.338 -10.229 15.573 1.00 0.00 O ATOM 262 C3' G B 9 -0.441 -9.581 13.464 1.00 0.00 C ATOM 263 O3' G B 9 -0.825 -10.026 12.177 1.00 0.00 O ATOM 264 C2' G B 9 -1.608 -9.492 14.419 1.00 0.00 C ATOM 265 O2' G B 9 -2.418 -10.645 14.308 1.00 0.00 O ATOM 266 C1' G B 9 -0.894 -9.515 15.771 1.00 0.00 C ATOM 267 N9 G B 9 -0.600 -8.127 16.192 1.00 0.00 N ATOM 268 C8 G B 9 0.598 -7.458 16.182 1.00 0.00 C ATOM 269 N7 G B 9 0.521 -6.227 16.604 1.00 0.00 N ATOM 270 C5 G B 9 -0.824 -6.063 16.918 1.00 0.00 C ATOM 271 C6 G B 9 -1.513 -4.922 17.424 1.00 0.00 C ATOM 272 O6 G B 9 -1.056 -3.814 17.695 1.00 0.00 O ATOM 273 N1 G B 9 -2.867 -5.180 17.606 1.00 0.00 N ATOM 274 C2 G B 9 -3.487 -6.381 17.335 1.00 0.00 C ATOM 275 N2 G B 9 -4.802 -6.446 17.566 1.00 0.00 N ATOM 276 N3 G B 9 -2.844 -7.454 16.857 1.00 0.00 N ATOM 277 C4 G B 9 -1.519 -7.224 16.673 1.00 0.00 C ATOM 0 H5' G B 9 2.455 -11.313 14.296 1.00 0.00 H new ATOM 0 H5'' G B 9 1.910 -10.949 12.671 1.00 0.00 H new ATOM 0 H4' G B 9 0.062 -11.606 14.016 1.00 0.00 H new ATOM 0 H3' G B 9 0.049 -8.631 13.252 1.00 0.00 H new ATOM 0 H2' G B 9 -2.254 -8.630 14.251 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.171 -10.577 14.932 1.00 0.00 H new ATOM 0 HO5' G B 9 3.365 -9.340 13.489 1.00 0.00 H new ATOM 0 H1' G B 9 -1.506 -9.990 16.538 1.00 0.00 H new ATOM 0 H8 G B 9 1.522 -7.911 15.854 1.00 0.00 H new ATOM 0 H1 G B 9 -3.446 -4.422 17.968 1.00 0.00 H new ATOM 0 H21 G B 9 -5.310 -7.311 17.382 1.00 0.00 H new ATOM 0 H22 G B 9 -5.297 -5.630 17.926 1.00 0.00 H new ATOM 290 P G B 10 -1.434 -8.993 11.091 1.00 0.00 P ATOM 291 OP1 G B 10 -1.709 -9.745 9.847 1.00 0.00 O ATOM 292 OP2 G B 10 -0.550 -7.807 11.051 1.00 0.00 O ATOM 293 O5' G B 10 -2.845 -8.544 11.726 1.00 0.00 O ATOM 294 C5' G B 10 -3.947 -9.425 11.739 1.00 0.00 C ATOM 295 C4' G B 10 -5.142 -8.747 12.415 1.00 0.00 C ATOM 296 O4' G B 10 -4.827 -8.359 13.756 1.00 0.00 O ATOM 297 C3' G B 10 -5.568 -7.466 11.722 1.00 0.00 C ATOM 298 O3' G B 10 -6.326 -7.700 10.549 1.00 0.00 O ATOM 299 C2' G B 10 -6.396 -6.846 12.824 1.00 0.00 C ATOM 300 O2' G B 10 -7.626 -7.529 12.959 1.00 0.00 O ATOM 301 C1' G B 10 -5.531 -7.138 14.043 1.00 0.00 C ATOM 302 N9 G B 10 -4.568 -6.027 14.227 1.00 0.00 N ATOM 303 C8 G B 10 -3.232 -5.979 13.917 1.00 0.00 C ATOM 304 N7 G B 10 -2.665 -4.838 14.189 1.00 0.00 N ATOM 305 C5 G B 10 -3.696 -4.066 14.710 1.00 0.00 C ATOM 306 C6 G B 10 -3.684 -2.720 15.178 1.00 0.00 C ATOM 307 O6 G B 10 -2.734 -1.943 15.232 1.00 0.00 O ATOM 308 N1 G B 10 -4.942 -2.314 15.606 1.00 0.00 N ATOM 309 C2 G B 10 -6.073 -3.103 15.595 1.00 0.00 C ATOM 310 N2 G B 10 -7.201 -2.542 16.044 1.00 0.00 N ATOM 311 N3 G B 10 -6.088 -4.369 15.163 1.00 0.00 N ATOM 312 C4 G B 10 -4.868 -4.784 14.734 1.00 0.00 C ATOM 0 H5' G B 10 -3.687 -10.340 12.271 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.208 -9.712 10.720 1.00 0.00 H new ATOM 0 H4' G B 10 -5.938 -9.491 12.372 1.00 0.00 H new ATOM 0 H3' G B 10 -4.745 -6.852 11.356 1.00 0.00 H new ATOM 0 H2' G B 10 -6.634 -5.795 12.662 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.151 -7.118 13.677 1.00 0.00 H new ATOM 0 H1' G B 10 -6.124 -7.234 14.952 1.00 0.00 H new ATOM 0 H8 G B 10 -2.698 -6.813 13.486 1.00 0.00 H new ATOM 0 H1 G B 10 -5.036 -1.360 15.955 1.00 0.00 H new ATOM 0 H21 G B 10 -8.068 -3.080 16.058 1.00 0.00 H new ATOM 0 H22 G B 10 -7.195 -1.576 16.372 1.00 0.00 H new ATOM 324 P A B 11 -6.553 -6.522 9.455 1.00 0.00 P ATOM 325 OP1 A B 11 -7.402 -7.064 8.371 1.00 0.00 O ATOM 326 OP2 A B 11 -5.231 -5.945 9.130 1.00 0.00 O ATOM 327 O5' A B 11 -7.404 -5.402 10.245 1.00 0.00 O ATOM 328 C5' A B 11 -8.754 -5.627 10.588 1.00 0.00 C ATOM 329 C4' A B 11 -9.303 -4.429 11.366 1.00 0.00 C ATOM 330 O4' A B 11 -8.515 -4.159 12.529 1.00 0.00 O ATOM 331 C3' A B 11 -9.299 -3.132 10.580 1.00 0.00 C ATOM 332 O3' A B 11 -10.392 -3.040 9.689 1.00 0.00 O ATOM 333 C2' A B 11 -9.405 -2.118 11.685 1.00 0.00 C ATOM 334 O2' A B 11 -10.734 -2.059 12.161 1.00 0.00 O ATOM 335 C1' A B 11 -8.513 -2.737 12.754 1.00 0.00 C ATOM 336 N9 A B 11 -7.134 -2.205 12.627 1.00 0.00 N ATOM 337 C8 A B 11 -5.994 -2.837 12.197 1.00 0.00 C ATOM 338 N7 A B 11 -4.922 -2.098 12.258 1.00 0.00 N ATOM 339 C5 A B 11 -5.384 -0.882 12.746 1.00 0.00 C ATOM 340 C6 A B 11 -4.739 0.335 13.033 1.00 0.00 C ATOM 341 N6 A B 11 -3.424 0.523 12.876 1.00 0.00 N ATOM 342 N1 A B 11 -5.499 1.353 13.476 1.00 0.00 N ATOM 343 C2 A B 11 -6.806 1.164 13.632 1.00 0.00 C ATOM 344 N3 A B 11 -7.523 0.070 13.413 1.00 0.00 N ATOM 345 C4 A B 11 -6.734 -0.932 12.961 1.00 0.00 C ATOM 0 H5' A B 11 -8.839 -6.532 11.190 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.345 -5.787 9.686 1.00 0.00 H new ATOM 0 H4' A B 11 -10.325 -4.722 11.605 1.00 0.00 H new ATOM 0 H3' A B 11 -8.426 -3.013 9.938 1.00 0.00 H new ATOM 0 H2' A B 11 -9.128 -1.106 11.389 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.346 -2.373 11.463 1.00 0.00 H new ATOM 0 H1' A B 11 -8.876 -2.501 13.754 1.00 0.00 H new ATOM 0 H8 A B 11 -5.986 -3.856 11.840 1.00 0.00 H new ATOM 0 H61 A B 11 -3.008 1.427 13.100 1.00 0.00 H new ATOM 0 H62 A B 11 -2.838 -0.238 12.533 1.00 0.00 H new ATOM 0 H2 A B 11 -7.361 2.020 13.986 1.00 0.00 H new ATOM 357 P U B 12 -10.156 -2.715 8.135 1.00 0.00 P ATOM 358 OP1 U B 12 -11.446 -2.854 7.423 1.00 0.00 O ATOM 359 OP2 U B 12 -8.967 -3.462 7.672 1.00 0.00 O ATOM 360 O5' U B 12 -9.784 -1.153 8.219 1.00 0.00 O ATOM 361 C5' U B 12 -10.769 -0.204 8.580 1.00 0.00 C ATOM 362 C4' U B 12 -10.116 1.147 8.870 1.00 0.00 C ATOM 363 O4' U B 12 -9.233 1.057 9.985 1.00 0.00 O ATOM 364 C3' U B 12 -9.267 1.653 7.723 1.00 0.00 C ATOM 365 O3' U B 12 -10.052 2.221 6.691 1.00 0.00 O ATOM 366 C2' U B 12 -8.429 2.685 8.444 1.00 0.00 C ATOM 367 O2' U B 12 -9.192 3.853 8.662 1.00 0.00 O ATOM 368 C1' U B 12 -8.179 2.011 9.796 1.00 0.00 C ATOM 369 N1 U B 12 -6.861 1.330 9.793 1.00 0.00 N ATOM 370 C2 U B 12 -5.747 2.118 10.030 1.00 0.00 C ATOM 371 O2 U B 12 -5.839 3.326 10.239 1.00 0.00 O ATOM 372 N3 U B 12 -4.520 1.473 10.021 1.00 0.00 N ATOM 373 C4 U B 12 -4.317 0.121 9.789 1.00 0.00 C ATOM 374 O4 U B 12 -3.182 -0.349 9.791 1.00 0.00 O ATOM 375 C5 U B 12 -5.535 -0.630 9.564 1.00 0.00 C ATOM 376 C6 U B 12 -6.744 -0.020 9.575 1.00 0.00 C ATOM 0 H5' U B 12 -11.313 -0.550 9.459 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.497 -0.100 7.775 1.00 0.00 H new ATOM 0 H4' U B 12 -10.949 1.825 9.053 1.00 0.00 H new ATOM 0 H3' U B 12 -8.692 0.885 7.205 1.00 0.00 H new ATOM 0 H2' U B 12 -7.528 2.971 7.902 1.00 0.00 H new ATOM 0 HO2' U B 12 -10.086 3.736 8.279 1.00 0.00 H new ATOM 0 H1' U B 12 -8.169 2.744 10.603 1.00 0.00 H new ATOM 0 H3 U B 12 -3.694 2.043 10.201 1.00 0.00 H new ATOM 0 H5 U B 12 -5.478 -1.693 9.385 1.00 0.00 H new ATOM 0 H6 U B 12 -7.635 -0.608 9.409 1.00 0.00 H new ATOM 387 P G B 13 -9.387 2.645 5.284 1.00 0.00 P ATOM 388 OP1 G B 13 -10.468 3.096 4.381 1.00 0.00 O ATOM 389 OP2 G B 13 -8.484 1.552 4.860 1.00 0.00 O ATOM 390 O5' G B 13 -8.483 3.923 5.660 1.00 0.00 O ATOM 391 C5' G B 13 -9.071 5.189 5.888 1.00 0.00 C ATOM 392 C4' G B 13 -7.971 6.201 6.216 1.00 0.00 C ATOM 393 O4' G B 13 -7.247 5.819 7.379 1.00 0.00 O ATOM 394 C3' G B 13 -6.927 6.270 5.122 1.00 0.00 C ATOM 395 O3' G B 13 -7.357 7.037 4.008 1.00 0.00 O ATOM 396 C2' G B 13 -5.795 6.935 5.864 1.00 0.00 C ATOM 397 O2' G B 13 -5.981 8.334 5.872 1.00 0.00 O ATOM 398 C1' G B 13 -5.946 6.407 7.285 1.00 0.00 C ATOM 399 N9 G B 13 -4.895 5.408 7.545 1.00 0.00 N ATOM 400 C8 G B 13 -4.960 4.047 7.452 1.00 0.00 C ATOM 401 N7 G B 13 -3.836 3.440 7.723 1.00 0.00 N ATOM 402 C5 G B 13 -2.956 4.481 8.009 1.00 0.00 C ATOM 403 C6 G B 13 -1.574 4.450 8.368 1.00 0.00 C ATOM 404 O6 G B 13 -0.840 3.476 8.527 1.00 0.00 O ATOM 405 N1 G B 13 -1.067 5.728 8.542 1.00 0.00 N ATOM 406 C2 G B 13 -1.783 6.894 8.406 1.00 0.00 C ATOM 407 N2 G B 13 -1.117 8.032 8.623 1.00 0.00 N ATOM 408 N3 G B 13 -3.077 6.931 8.078 1.00 0.00 N ATOM 409 C4 G B 13 -3.598 5.691 7.894 1.00 0.00 C ATOM 0 H5' G B 13 -9.784 5.130 6.710 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.626 5.510 5.007 1.00 0.00 H new ATOM 0 H4' G B 13 -8.487 7.152 6.344 1.00 0.00 H new ATOM 0 H3' G B 13 -6.678 5.306 4.679 1.00 0.00 H new ATOM 0 H2' G B 13 -4.820 6.733 5.421 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.741 8.566 5.299 1.00 0.00 H new ATOM 0 H1' G B 13 -5.842 7.202 8.024 1.00 0.00 H new ATOM 0 H8 G B 13 -5.862 3.519 7.178 1.00 0.00 H new ATOM 0 H1 G B 13 -0.081 5.810 8.792 1.00 0.00 H new ATOM 0 H21 G B 13 -1.597 8.928 8.537 1.00 0.00 H new ATOM 0 H22 G B 13 -0.129 8.005 8.875 1.00 0.00 H new ATOM 421 P U B 14 -6.549 6.993 2.605 1.00 0.00 P ATOM 422 OP1 U B 14 -7.281 7.832 1.630 1.00 0.00 O ATOM 423 OP2 U B 14 -6.274 5.575 2.288 1.00 0.00 O ATOM 424 O5' U B 14 -5.136 7.713 2.920 1.00 0.00 O ATOM 425 C5' U B 14 -5.013 9.123 2.930 1.00 0.00 C ATOM 426 C4' U B 14 -3.543 9.517 3.157 1.00 0.00 C ATOM 427 O4' U B 14 -3.070 9.090 4.441 1.00 0.00 O ATOM 428 C3' U B 14 -2.600 8.871 2.156 1.00 0.00 C ATOM 429 O3' U B 14 -2.588 9.508 0.894 1.00 0.00 O ATOM 430 C2' U B 14 -1.294 9.065 2.876 1.00 0.00 C ATOM 431 O2' U B 14 -0.905 10.420 2.803 1.00 0.00 O ATOM 432 C1' U B 14 -1.674 8.751 4.310 1.00 0.00 C ATOM 433 N1 U B 14 -1.469 7.311 4.606 1.00 0.00 N ATOM 434 C2 U B 14 -0.243 6.930 5.134 1.00 0.00 C ATOM 435 O2 U B 14 0.676 7.728 5.304 1.00 0.00 O ATOM 436 N3 U B 14 -0.109 5.592 5.461 1.00 0.00 N ATOM 437 C4 U B 14 -1.078 4.615 5.311 1.00 0.00 C ATOM 438 O4 U B 14 -0.843 3.449 5.617 1.00 0.00 O ATOM 439 C5 U B 14 -2.328 5.104 4.774 1.00 0.00 C ATOM 440 C6 U B 14 -2.478 6.404 4.439 1.00 0.00 C ATOM 0 H5' U B 14 -5.638 9.546 3.717 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.368 9.535 1.985 1.00 0.00 H new ATOM 0 H4' U B 14 -3.538 10.602 3.058 1.00 0.00 H new ATOM 0 H3' U B 14 -2.862 7.843 1.905 1.00 0.00 H new ATOM 0 H2' U B 14 -0.479 8.462 2.475 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.425 10.873 2.107 1.00 0.00 H new ATOM 0 H1' U B 14 -1.056 9.314 5.009 1.00 0.00 H new ATOM 0 H3 U B 14 0.788 5.298 5.849 1.00 0.00 H new ATOM 0 H5 U B 14 -3.153 4.421 4.639 1.00 0.00 H new ATOM 0 H6 U B 14 -3.420 6.736 4.028 1.00 0.00 H new ATOM 451 P C B 15 -1.878 8.797 -0.377 1.00 0.00 P ATOM 452 OP1 C B 15 -1.909 9.747 -1.510 1.00 0.00 O ATOM 453 OP2 C B 15 -2.475 7.453 -0.532 1.00 0.00 O ATOM 454 O5' C B 15 -0.336 8.605 0.078 1.00 0.00 O ATOM 455 C5' C B 15 0.567 9.693 0.079 1.00 0.00 C ATOM 456 C4' C B 15 1.964 9.220 0.507 1.00 0.00 C ATOM 457 O4' C B 15 1.967 8.656 1.824 1.00 0.00 O ATOM 458 C3' C B 15 2.497 8.118 -0.384 1.00 0.00 C ATOM 459 O3' C B 15 2.963 8.606 -1.628 1.00 0.00 O ATOM 460 C2' C B 15 3.624 7.597 0.480 1.00 0.00 C ATOM 461 O2' C B 15 4.726 8.478 0.411 1.00 0.00 O ATOM 462 C1' C B 15 3.025 7.674 1.885 1.00 0.00 C ATOM 463 N1 C B 15 2.500 6.340 2.287 1.00 0.00 N ATOM 464 C2 C B 15 3.432 5.371 2.649 1.00 0.00 C ATOM 465 O2 C B 15 4.633 5.633 2.648 1.00 0.00 O ATOM 466 N3 C B 15 2.979 4.135 3.001 1.00 0.00 N ATOM 467 C4 C B 15 1.668 3.856 2.994 1.00 0.00 C ATOM 468 N4 C B 15 1.265 2.633 3.349 1.00 0.00 N ATOM 469 C5 C B 15 0.698 4.842 2.627 1.00 0.00 C ATOM 470 C6 C B 15 1.159 6.065 2.290 1.00 0.00 C ATOM 0 H5' C B 15 0.213 10.468 0.758 1.00 0.00 H new ATOM 0 H5'' C B 15 0.614 10.137 -0.915 1.00 0.00 H new ATOM 0 H4' C B 15 2.578 10.119 0.449 1.00 0.00 H new ATOM 0 H3' C B 15 1.757 7.372 -0.672 1.00 0.00 H new ATOM 0 H2' C B 15 3.971 6.606 0.189 1.00 0.00 H new ATOM 0 HO2' C B 15 4.571 9.141 -0.294 1.00 0.00 H new ATOM 0 H1' C B 15 3.770 7.961 2.627 1.00 0.00 H new ATOM 0 H41 C B 15 0.271 2.404 3.349 1.00 0.00 H new ATOM 0 H42 C B 15 1.951 1.929 3.620 1.00 0.00 H new ATOM 0 H5 C B 15 -0.358 4.617 2.620 1.00 0.00 H new ATOM 0 H6 C B 15 0.458 6.840 2.018 1.00 0.00 H new ATOM 482 P C B 16 3.279 7.594 -2.846 1.00 0.00 P ATOM 483 OP1 C B 16 3.757 8.392 -3.996 1.00 0.00 O ATOM 484 OP2 C B 16 2.110 6.701 -3.008 1.00 0.00 O ATOM 485 O5' C B 16 4.510 6.704 -2.309 1.00 0.00 O ATOM 486 C5' C B 16 5.828 7.214 -2.294 1.00 0.00 C ATOM 487 C4' C B 16 6.785 6.122 -1.808 1.00 0.00 C ATOM 488 O4' C B 16 6.491 5.716 -0.479 1.00 0.00 O ATOM 489 C3' C B 16 6.658 4.854 -2.621 1.00 0.00 C ATOM 490 O3' C B 16 7.282 4.947 -3.884 1.00 0.00 O ATOM 491 C2' C B 16 7.333 3.861 -1.725 1.00 0.00 C ATOM 492 O2' C B 16 8.737 3.973 -1.840 1.00 0.00 O ATOM 493 C1' C B 16 6.890 4.341 -0.347 1.00 0.00 C ATOM 494 N1 C B 16 5.751 3.506 0.098 1.00 0.00 N ATOM 495 C2 C B 16 6.044 2.293 0.714 1.00 0.00 C ATOM 496 O2 C B 16 7.209 1.980 0.948 1.00 0.00 O ATOM 497 N3 C B 16 5.009 1.469 1.040 1.00 0.00 N ATOM 498 C4 C B 16 3.744 1.813 0.763 1.00 0.00 C ATOM 499 N4 C B 16 2.758 0.977 1.103 1.00 0.00 N ATOM 500 C5 C B 16 3.434 3.048 0.108 1.00 0.00 C ATOM 501 C6 C B 16 4.466 3.857 -0.197 1.00 0.00 C ATOM 0 H5' C B 16 5.887 8.083 -1.639 1.00 0.00 H new ATOM 0 H5'' C B 16 6.113 7.547 -3.292 1.00 0.00 H new ATOM 0 H4' C B 16 7.776 6.567 -1.895 1.00 0.00 H new ATOM 0 H3' C B 16 5.629 4.599 -2.875 1.00 0.00 H new ATOM 0 H2' C B 16 7.085 2.823 -1.945 1.00 0.00 H new ATOM 0 HO2' C B 16 8.966 4.320 -2.728 1.00 0.00 H new ATOM 0 HO3' C B 16 7.172 4.101 -4.367 1.00 0.00 H new ATOM 0 H1' C B 16 7.690 4.259 0.388 1.00 0.00 H new ATOM 0 H41 C B 16 1.789 1.222 0.900 1.00 0.00 H new ATOM 0 H42 C B 16 2.975 0.094 1.565 1.00 0.00 H new ATOM 0 H5 C B 16 2.416 3.319 -0.131 1.00 0.00 H new ATOM 0 H6 C B 16 4.273 4.801 -0.684 1.00 0.00 H new TER 514 C B 16