USER MOD reduce.3.24.130724 H: found=0, std=0, add=183, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 183 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 U O2' : rot 180:sc= -3.27! USER MOD Single : A 1 U O5' : rot 25:sc= 0.438 USER MOD Single : A 2 G O2' : rot 180:sc= -4.53! USER MOD Single : A 3 A O2' : rot -145:sc= 0.385 USER MOD Single : A 4 G O2' : rot -150:sc= -0.958 USER MOD Single : A 5 C O2' : rot 180:sc= -4.03! USER MOD Single : A 6 U O2' : rot -9:sc= 0.103 USER MOD Single : A 7 C O2' : rot -93:sc= 1.3 USER MOD Single : A 8 A O2' : rot -8:sc= -0.121 USER MOD Single : A 9 G O2' : rot -8:sc= 0.542 USER MOD Single : A 10 U O2' : rot -22:sc= 0.118 USER MOD Single : A 11 U O2' : rot 43:sc= -1.19 USER MOD Single : A 12 U O2' : rot -102:sc= -0.728! USER MOD Single : A 13 G O2' : rot 180:sc= -0.197 USER MOD Single : A 14 C O2' : rot -143:sc= 0.532 USER MOD Single : A 15 U O2' : rot 180:sc= -5.63! USER MOD Single : A 16 C O2' : rot 180:sc= -1.41 USER MOD Single : A 17 A O2' : rot -20:sc= 0.117 USER MOD Single : A 17 A O3' : rot 180:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 O5' U A 1 14.648 28.424 16.646 1.00 0.37 O ATOM 2 C5' U A 1 14.418 29.757 17.076 1.00 0.36 C ATOM 3 C4' U A 1 14.066 29.817 18.550 1.00 0.32 C ATOM 4 O4' U A 1 12.760 29.306 18.806 1.00 0.35 O ATOM 5 C3' U A 1 15.044 28.995 19.380 1.00 0.30 C ATOM 6 O3' U A 1 16.210 29.747 19.724 1.00 0.34 O ATOM 7 C2' U A 1 14.182 28.679 20.602 1.00 0.33 C ATOM 8 O2' U A 1 14.159 29.775 21.511 1.00 0.44 O ATOM 9 C1' U A 1 12.824 28.466 19.958 1.00 0.32 C ATOM 10 N1 U A 1 12.625 27.047 19.574 1.00 0.31 N ATOM 11 C2 U A 1 12.590 26.090 20.590 1.00 0.29 C ATOM 12 O2 U A 1 12.771 26.384 21.775 1.00 0.36 O ATOM 13 N3 U A 1 12.352 24.789 20.192 1.00 0.33 N ATOM 14 C4 U A 1 12.148 24.354 18.890 1.00 0.39 C ATOM 15 O4 U A 1 11.932 23.164 18.661 1.00 0.46 O ATOM 16 C5 U A 1 12.206 25.408 17.894 1.00 0.45 C ATOM 17 C6 U A 1 12.436 26.700 18.257 1.00 0.41 C ATOM 0 H5' U A 1 13.609 30.194 16.490 1.00 0.36 H new ATOM 0 H5'' U A 1 15.308 30.358 16.889 1.00 0.36 H new ATOM 0 H4' U A 1 14.113 30.870 18.828 1.00 0.32 H new ATOM 0 H3' U A 1 15.443 28.116 18.873 1.00 0.30 H new ATOM 0 H2' U A 1 14.533 27.834 21.194 1.00 0.33 H new ATOM 0 HO2' U A 1 13.600 29.548 22.283 1.00 0.44 H new ATOM 0 HO5' U A 1 14.164 27.804 17.230 1.00 0.37 H new ATOM 0 H1' U A 1 12.034 28.717 20.666 1.00 0.32 H new ATOM 0 H3 U A 1 12.323 24.080 20.925 1.00 0.33 H new ATOM 0 H5 U A 1 12.065 25.164 16.851 1.00 0.45 H new ATOM 0 H6 U A 1 12.471 27.466 17.497 1.00 0.41 H new ATOM 29 P G A 2 17.619 29.020 20.004 1.00 0.29 P ATOM 30 OP1 G A 2 18.585 30.046 20.448 1.00 0.37 O ATOM 31 OP2 G A 2 17.945 28.154 18.850 1.00 0.35 O ATOM 32 O5' G A 2 17.249 28.087 21.256 1.00 0.28 O ATOM 33 C5' G A 2 16.694 28.654 22.440 1.00 0.25 C ATOM 34 C4' G A 2 16.575 27.621 23.539 1.00 0.25 C ATOM 35 O4' G A 2 15.773 26.517 23.111 1.00 0.29 O ATOM 36 C3' G A 2 17.950 27.095 23.890 1.00 0.22 C ATOM 37 O3' G A 2 18.568 27.884 24.907 1.00 0.23 O ATOM 38 C2' G A 2 17.626 25.680 24.359 1.00 0.24 C ATOM 39 O2' G A 2 17.254 25.666 25.753 1.00 0.31 O ATOM 40 C1' G A 2 16.441 25.313 23.456 1.00 0.25 C ATOM 41 N9 G A 2 16.884 24.590 22.245 1.00 0.25 N ATOM 42 C8 G A 2 17.223 25.096 21.019 1.00 0.32 C ATOM 43 N7 G A 2 17.636 24.220 20.157 1.00 0.37 N ATOM 44 C5 G A 2 17.554 23.021 20.861 1.00 0.30 C ATOM 45 C6 G A 2 17.869 21.701 20.439 1.00 0.34 C ATOM 46 O6 G A 2 18.306 21.320 19.356 1.00 0.43 O ATOM 47 N1 G A 2 17.647 20.781 21.454 1.00 0.30 N ATOM 48 C2 G A 2 17.189 21.089 22.714 1.00 0.26 C ATOM 49 N2 G A 2 17.032 20.065 23.544 1.00 0.32 N ATOM 50 N3 G A 2 16.892 22.325 23.117 1.00 0.23 N ATOM 51 C4 G A 2 17.096 23.237 22.143 1.00 0.24 C ATOM 0 H5' G A 2 15.711 29.070 22.221 1.00 0.25 H new ATOM 0 H5'' G A 2 17.320 29.479 22.779 1.00 0.25 H new ATOM 0 H4' G A 2 16.111 28.096 24.403 1.00 0.25 H new ATOM 0 H3' G A 2 18.667 27.124 23.069 1.00 0.22 H new ATOM 0 H2' G A 2 18.463 24.985 24.287 1.00 0.24 H new ATOM 0 HO2' G A 2 17.050 24.748 26.028 1.00 0.31 H new ATOM 0 H1' G A 2 15.766 24.642 23.987 1.00 0.25 H new ATOM 0 H8 G A 2 17.152 26.148 20.787 1.00 0.32 H new ATOM 0 H1 G A 2 17.838 19.800 21.250 1.00 0.30 H new ATOM 0 H21 G A 2 16.695 20.225 24.493 1.00 0.32 H new ATOM 0 H22 G A 2 17.248 19.118 23.232 1.00 0.32 H new ATOM 63 P A A 3 20.168 28.048 24.909 1.00 0.22 P ATOM 64 OP1 A A 3 20.535 29.105 25.880 1.00 0.31 O ATOM 65 OP2 A A 3 20.636 28.157 23.512 1.00 0.27 O ATOM 66 O5' A A 3 20.638 26.615 25.482 1.00 0.25 O ATOM 67 C5' A A 3 19.897 25.984 26.531 1.00 0.25 C ATOM 68 C4' A A 3 20.281 24.512 26.740 1.00 0.21 C ATOM 69 O4' A A 3 19.525 23.615 25.915 1.00 0.24 O ATOM 70 C3' A A 3 21.765 24.251 26.465 1.00 0.20 C ATOM 71 O3' A A 3 22.563 24.636 27.592 1.00 0.21 O ATOM 72 C2' A A 3 21.744 22.715 26.285 1.00 0.22 C ATOM 73 O2' A A 3 21.969 22.048 27.539 1.00 0.24 O ATOM 74 C1' A A 3 20.330 22.440 25.748 1.00 0.22 C ATOM 75 N9 A A 3 20.389 22.046 24.349 1.00 0.22 N ATOM 76 C8 A A 3 20.389 22.827 23.212 1.00 0.26 C ATOM 77 N7 A A 3 20.479 22.146 22.102 1.00 0.29 N ATOM 78 C5 A A 3 20.538 20.803 22.528 1.00 0.27 C ATOM 79 C6 A A 3 20.677 19.574 21.837 1.00 0.31 C ATOM 80 N6 A A 3 20.750 19.516 20.495 1.00 0.39 N ATOM 81 N1 A A 3 20.708 18.436 22.564 1.00 0.32 N ATOM 82 C2 A A 3 20.632 18.472 23.895 1.00 0.29 C ATOM 83 N3 A A 3 20.513 19.571 24.653 1.00 0.25 N ATOM 84 C4 A A 3 20.490 20.726 23.892 1.00 0.23 C ATOM 0 H5' A A 3 18.833 26.047 26.304 1.00 0.25 H new ATOM 0 H5'' A A 3 20.058 26.530 27.460 1.00 0.25 H new ATOM 0 H4' A A 3 20.055 24.320 27.789 1.00 0.21 H new ATOM 0 H3' A A 3 22.187 24.800 25.623 1.00 0.20 H new ATOM 0 H2' A A 3 22.526 22.350 25.619 1.00 0.22 H new ATOM 0 HO2' A A 3 22.479 21.225 27.385 1.00 0.24 H new ATOM 0 H1' A A 3 19.880 21.620 26.307 1.00 0.22 H new ATOM 0 H8 A A 3 20.321 23.905 23.238 1.00 0.26 H new ATOM 0 H61 A A 3 20.850 18.615 20.028 1.00 0.39 H new ATOM 0 H62 A A 3 20.705 20.373 19.944 1.00 0.39 H new ATOM 0 H2 A A 3 20.670 17.524 24.412 1.00 0.29 H new ATOM 96 P G A 4 24.174 24.629 27.506 1.00 0.23 P ATOM 97 OP1 G A 4 24.707 25.320 28.702 1.00 0.28 O ATOM 98 OP2 G A 4 24.590 25.099 26.157 1.00 0.27 O ATOM 99 O5' G A 4 24.508 23.056 27.643 1.00 0.23 O ATOM 100 C5' G A 4 24.508 22.419 28.936 1.00 0.25 C ATOM 101 C4' G A 4 24.565 20.888 28.837 1.00 0.23 C ATOM 102 O4' G A 4 23.605 20.395 27.895 1.00 0.23 O ATOM 103 C3' G A 4 25.936 20.390 28.379 1.00 0.25 C ATOM 104 O3' G A 4 26.866 20.255 29.465 1.00 0.27 O ATOM 105 C2' G A 4 25.547 19.043 27.788 1.00 0.26 C ATOM 106 O2' G A 4 25.307 18.066 28.816 1.00 0.32 O ATOM 107 C1' G A 4 24.264 19.434 27.062 1.00 0.22 C ATOM 108 N9 G A 4 24.581 20.019 25.745 1.00 0.20 N ATOM 109 C8 G A 4 24.810 21.328 25.441 1.00 0.21 C ATOM 110 N7 G A 4 25.143 21.553 24.209 1.00 0.22 N ATOM 111 C5 G A 4 25.129 20.284 23.635 1.00 0.23 C ATOM 112 C6 G A 4 25.411 19.887 22.295 1.00 0.28 C ATOM 113 O6 G A 4 25.756 20.584 21.341 1.00 0.32 O ATOM 114 N1 G A 4 25.285 18.521 22.139 1.00 0.31 N ATOM 115 C2 G A 4 24.931 17.637 23.130 1.00 0.30 C ATOM 116 N2 G A 4 24.846 16.360 22.768 1.00 0.36 N ATOM 117 N3 G A 4 24.666 17.994 24.393 1.00 0.26 N ATOM 118 C4 G A 4 24.783 19.332 24.569 1.00 0.22 C ATOM 0 H5' G A 4 23.611 22.711 29.482 1.00 0.25 H new ATOM 0 H5'' G A 4 25.362 22.775 29.513 1.00 0.25 H new ATOM 0 H4' G A 4 24.352 20.520 29.841 1.00 0.23 H new ATOM 0 H3' G A 4 26.454 21.061 27.694 1.00 0.25 H new ATOM 0 H2' G A 4 26.304 18.578 27.157 1.00 0.26 H new ATOM 0 HO2' G A 4 25.529 17.174 28.477 1.00 0.32 H new ATOM 0 H1' G A 4 23.627 18.567 26.886 1.00 0.22 H new ATOM 0 H8 G A 4 24.721 22.118 26.172 1.00 0.21 H new ATOM 0 H1 G A 4 25.470 18.136 21.213 1.00 0.31 H new ATOM 0 H21 G A 4 24.588 15.651 23.455 1.00 0.36 H new ATOM 0 H22 G A 4 25.039 16.089 21.804 1.00 0.36 H new ATOM 130 P C A 5 28.453 20.459 29.204 1.00 0.23 P ATOM 131 OP1 C A 5 29.169 20.205 30.472 1.00 0.27 O ATOM 132 OP2 C A 5 28.662 21.744 28.499 1.00 0.33 O ATOM 133 O5' C A 5 28.799 19.261 28.190 1.00 0.25 O ATOM 134 C5' C A 5 28.555 17.909 28.574 1.00 0.24 C ATOM 135 C4' C A 5 28.956 16.930 27.490 1.00 0.23 C ATOM 136 O4' C A 5 28.142 17.116 26.341 1.00 0.24 O ATOM 137 C3' C A 5 30.391 17.148 27.059 1.00 0.24 C ATOM 138 O3' C A 5 31.339 16.471 27.880 1.00 0.26 O ATOM 139 C2' C A 5 30.365 16.569 25.655 1.00 0.25 C ATOM 140 O2' C A 5 30.536 15.143 25.654 1.00 0.26 O ATOM 141 C1' C A 5 28.973 16.955 25.192 1.00 0.24 C ATOM 142 N1 C A 5 29.043 18.180 24.366 1.00 0.25 N ATOM 143 C2 C A 5 29.655 18.062 23.134 1.00 0.27 C ATOM 144 O2 C A 5 30.097 16.976 22.775 1.00 0.31 O ATOM 145 N3 C A 5 29.763 19.168 22.352 1.00 0.30 N ATOM 146 C4 C A 5 29.286 20.348 22.765 1.00 0.29 C ATOM 147 N4 C A 5 29.431 21.416 21.987 1.00 0.36 N ATOM 148 C5 C A 5 28.658 20.477 24.047 1.00 0.27 C ATOM 149 C6 C A 5 28.556 19.376 24.805 1.00 0.25 C ATOM 0 H5' C A 5 27.497 17.783 28.803 1.00 0.24 H new ATOM 0 H5'' C A 5 29.108 17.686 29.487 1.00 0.24 H new ATOM 0 H4' C A 5 28.836 15.928 27.901 1.00 0.23 H new ATOM 0 H3' C A 5 30.703 18.190 27.125 1.00 0.24 H new ATOM 0 H2' C A 5 31.170 16.937 25.018 1.00 0.25 H new ATOM 0 HO2' C A 5 30.512 14.811 24.732 1.00 0.26 H new ATOM 0 H1' C A 5 28.539 16.176 24.566 1.00 0.24 H new ATOM 0 H41 C A 5 29.072 22.321 22.291 1.00 0.36 H new ATOM 0 H42 C A 5 29.902 21.331 21.086 1.00 0.36 H new ATOM 0 H5 C A 5 28.280 21.429 24.391 1.00 0.27 H new ATOM 0 H6 C A 5 28.083 19.437 25.774 1.00 0.25 H new ATOM 161 P U A 6 32.908 16.835 27.752 1.00 0.25 P ATOM 162 OP1 U A 6 33.639 16.150 28.838 1.00 0.33 O ATOM 163 OP2 U A 6 33.043 18.303 27.619 1.00 0.31 O ATOM 164 O5' U A 6 33.326 16.134 26.355 1.00 0.25 O ATOM 165 C5' U A 6 33.161 14.724 26.149 1.00 0.22 C ATOM 166 C4' U A 6 33.491 14.299 24.717 1.00 0.21 C ATOM 167 O4' U A 6 32.648 14.964 23.771 1.00 0.22 O ATOM 168 C3' U A 6 34.941 14.608 24.379 1.00 0.23 C ATOM 169 O3' U A 6 35.780 13.467 24.599 1.00 0.27 O ATOM 170 C2' U A 6 34.866 14.977 22.894 1.00 0.29 C ATOM 171 O2' U A 6 35.010 13.828 22.039 1.00 0.35 O ATOM 172 C1' U A 6 33.471 15.580 22.785 1.00 0.25 C ATOM 173 N1 U A 6 33.509 17.034 23.013 1.00 0.28 N ATOM 174 C2 U A 6 33.582 17.870 21.918 1.00 0.36 C ATOM 175 O2 U A 6 33.639 17.451 20.769 1.00 0.41 O ATOM 176 N3 U A 6 33.592 19.219 22.198 1.00 0.42 N ATOM 177 C4 U A 6 33.539 19.795 23.446 1.00 0.41 C ATOM 178 O4 U A 6 33.535 21.013 23.568 1.00 0.52 O ATOM 179 C5 U A 6 33.470 18.856 24.525 1.00 0.35 C ATOM 180 C6 U A 6 33.452 17.530 24.283 1.00 0.30 C ATOM 0 H5' U A 6 32.133 14.444 26.380 1.00 0.22 H new ATOM 0 H5'' U A 6 33.803 14.181 26.843 1.00 0.22 H new ATOM 0 H4' U A 6 33.322 13.224 24.657 1.00 0.21 H new ATOM 0 H3' U A 6 35.374 15.396 24.995 1.00 0.23 H new ATOM 0 H2' U A 6 35.665 15.647 22.577 1.00 0.29 H new ATOM 0 HO2' U A 6 35.273 13.051 22.576 1.00 0.35 H new ATOM 0 H1' U A 6 33.075 15.406 21.784 1.00 0.25 H new ATOM 0 H3 U A 6 33.644 19.853 21.401 1.00 0.42 H new ATOM 0 H5 U A 6 33.432 19.214 25.543 1.00 0.35 H new ATOM 0 H6 U A 6 33.391 16.843 25.114 1.00 0.30 H new ATOM 191 P C A 7 37.294 13.652 25.121 1.00 0.31 P ATOM 192 OP1 C A 7 37.867 12.311 25.356 1.00 0.44 O ATOM 193 OP2 C A 7 37.307 14.639 26.220 1.00 0.38 O ATOM 194 O5' C A 7 38.010 14.312 23.845 1.00 0.37 O ATOM 195 C5' C A 7 38.319 13.540 22.684 1.00 0.31 C ATOM 196 C4' C A 7 39.006 14.385 21.655 1.00 0.27 C ATOM 197 O4' C A 7 38.150 15.421 21.213 1.00 0.29 O ATOM 198 C3' C A 7 40.231 15.001 22.292 1.00 0.21 C ATOM 199 O3' C A 7 41.382 14.191 22.072 1.00 0.23 O ATOM 200 C2' C A 7 40.328 16.356 21.601 1.00 0.24 C ATOM 201 O2' C A 7 41.198 16.292 20.462 1.00 0.33 O ATOM 202 C1' C A 7 38.881 16.633 21.191 1.00 0.26 C ATOM 203 N1 C A 7 38.249 17.626 22.089 1.00 0.28 N ATOM 204 C2 C A 7 38.139 18.926 21.629 1.00 0.37 C ATOM 205 O2 C A 7 38.594 19.234 20.532 1.00 0.43 O ATOM 206 N3 C A 7 37.513 19.840 22.430 1.00 0.45 N ATOM 207 C4 C A 7 37.016 19.484 23.627 1.00 0.43 C ATOM 208 N4 C A 7 36.386 20.385 24.369 1.00 0.54 N ATOM 209 C5 C A 7 37.117 18.144 24.095 1.00 0.36 C ATOM 210 C6 C A 7 37.739 17.254 23.303 1.00 0.29 C ATOM 0 H5' C A 7 37.404 13.121 22.266 1.00 0.31 H new ATOM 0 H5'' C A 7 38.958 12.701 22.958 1.00 0.31 H new ATOM 0 H4' C A 7 39.278 13.766 20.800 1.00 0.27 H new ATOM 0 H3' C A 7 40.166 15.093 23.376 1.00 0.21 H new ATOM 0 H2' C A 7 40.747 17.138 22.234 1.00 0.24 H new ATOM 0 HO2' C A 7 42.106 16.544 20.730 1.00 0.33 H new ATOM 0 H1' C A 7 38.878 17.048 20.183 1.00 0.26 H new ATOM 0 H41 C A 7 36.006 20.121 25.278 1.00 0.54 H new ATOM 0 H42 C A 7 36.281 21.341 24.030 1.00 0.54 H new ATOM 0 H5 C A 7 36.709 17.853 25.052 1.00 0.36 H new ATOM 0 H6 C A 7 37.838 16.229 23.630 1.00 0.29 H new ATOM 222 P A A 8 42.203 13.587 23.313 1.00 0.20 P ATOM 223 OP1 A A 8 43.193 12.629 22.780 1.00 0.30 O ATOM 224 OP2 A A 8 41.249 13.146 24.355 1.00 0.27 O ATOM 225 O5' A A 8 42.983 14.897 23.829 1.00 0.24 O ATOM 226 C5' A A 8 43.108 15.192 25.218 1.00 0.22 C ATOM 227 C4' A A 8 43.788 16.540 25.448 1.00 0.21 C ATOM 228 O4' A A 8 44.982 16.630 24.671 1.00 0.23 O ATOM 229 C3' A A 8 42.879 17.707 25.054 1.00 0.20 C ATOM 230 O3' A A 8 42.127 18.197 26.175 1.00 0.21 O ATOM 231 C2' A A 8 43.901 18.735 24.582 1.00 0.22 C ATOM 232 O2' A A 8 44.457 19.445 25.698 1.00 0.29 O ATOM 233 C1' A A 8 44.924 17.836 23.910 1.00 0.21 C ATOM 234 N9 A A 8 44.534 17.557 22.508 1.00 0.21 N ATOM 235 C8 A A 8 44.012 16.413 21.982 1.00 0.23 C ATOM 236 N7 A A 8 43.784 16.454 20.712 1.00 0.24 N ATOM 237 C5 A A 8 44.180 17.740 20.358 1.00 0.22 C ATOM 238 C6 A A 8 44.193 18.423 19.137 1.00 0.25 C ATOM 239 N6 A A 8 43.789 17.875 17.995 1.00 0.31 N ATOM 240 N1 A A 8 44.655 19.687 19.135 1.00 0.26 N ATOM 241 C2 A A 8 45.074 20.248 20.279 1.00 0.24 C ATOM 242 N3 A A 8 45.108 19.681 21.484 1.00 0.22 N ATOM 243 C4 A A 8 44.638 18.422 21.447 1.00 0.21 C ATOM 0 H5' A A 8 43.683 14.406 25.707 1.00 0.22 H new ATOM 0 H5'' A A 8 42.120 15.199 25.679 1.00 0.22 H new ATOM 0 H4' A A 8 44.014 16.604 26.512 1.00 0.21 H new ATOM 0 H3' A A 8 42.124 17.449 24.311 1.00 0.20 H new ATOM 0 H2' A A 8 43.506 19.514 23.930 1.00 0.22 H new ATOM 0 HO2' A A 8 43.967 19.209 26.513 1.00 0.29 H new ATOM 0 H1' A A 8 45.901 18.317 23.878 1.00 0.21 H new ATOM 0 H8 A A 8 43.805 15.539 22.582 1.00 0.23 H new ATOM 0 H61 A A 8 43.819 18.416 17.131 1.00 0.31 H new ATOM 0 H62 A A 8 43.450 16.913 17.983 1.00 0.31 H new ATOM 0 H2 A A 8 45.421 21.269 20.217 1.00 0.24 H new ATOM 255 P G A 9 40.683 18.874 25.965 1.00 0.22 P ATOM 256 OP1 G A 9 40.151 19.255 27.285 1.00 0.33 O ATOM 257 OP2 G A 9 39.870 18.003 25.093 1.00 0.33 O ATOM 258 O5' G A 9 41.029 20.220 25.154 1.00 0.22 O ATOM 259 C5' G A 9 41.754 21.283 25.771 1.00 0.25 C ATOM 260 C4' G A 9 42.194 22.314 24.764 1.00 0.27 C ATOM 261 O4' G A 9 42.962 21.706 23.752 1.00 0.30 O ATOM 262 C3' G A 9 40.991 22.967 24.105 1.00 0.28 C ATOM 263 O3' G A 9 40.491 24.064 24.878 1.00 0.29 O ATOM 264 C2' G A 9 41.598 23.425 22.781 1.00 0.34 C ATOM 265 O2' G A 9 42.221 24.708 22.916 1.00 0.43 O ATOM 266 C1' G A 9 42.622 22.318 22.515 1.00 0.33 C ATOM 267 N9 G A 9 42.094 21.312 21.559 1.00 0.33 N ATOM 268 C8 G A 9 41.560 20.078 21.815 1.00 0.34 C ATOM 269 N7 G A 9 41.221 19.410 20.759 1.00 0.39 N ATOM 270 C5 G A 9 41.546 20.268 19.709 1.00 0.42 C ATOM 271 C6 G A 9 41.410 20.098 18.306 1.00 0.51 C ATOM 272 O6 G A 9 40.963 19.136 17.701 1.00 0.57 O ATOM 273 N1 G A 9 41.873 21.207 17.609 1.00 0.58 N ATOM 274 C2 G A 9 42.386 22.334 18.187 1.00 0.56 C ATOM 275 N2 G A 9 42.754 23.299 17.361 1.00 0.70 N ATOM 276 N3 G A 9 42.511 22.513 19.503 1.00 0.48 N ATOM 277 C4 G A 9 42.070 21.440 20.193 1.00 0.39 C ATOM 0 H5' G A 9 42.627 20.879 26.284 1.00 0.25 H new ATOM 0 H5'' G A 9 41.130 21.757 26.529 1.00 0.25 H new ATOM 0 H4' G A 9 42.783 23.064 25.293 1.00 0.27 H new ATOM 0 H3' G A 9 40.126 22.312 23.996 1.00 0.28 H new ATOM 0 H2' G A 9 40.876 23.555 21.975 1.00 0.34 H new ATOM 0 HO2' G A 9 42.009 25.084 23.796 1.00 0.43 H new ATOM 0 H1' G A 9 43.512 22.755 22.061 1.00 0.33 H new ATOM 0 H8 G A 9 41.432 19.693 22.816 1.00 0.34 H new ATOM 0 H1 G A 9 41.827 21.178 16.590 1.00 0.58 H new ATOM 0 H21 G A 9 43.144 24.166 17.731 1.00 0.70 H new ATOM 0 H22 G A 9 42.647 23.177 16.354 1.00 0.70 H new ATOM 289 P U A 10 39.032 23.956 25.546 1.00 0.26 P ATOM 290 OP1 U A 10 38.909 24.973 26.615 1.00 0.31 O ATOM 291 OP2 U A 10 38.792 22.539 25.875 1.00 0.34 O ATOM 292 O5' U A 10 38.057 24.343 24.306 1.00 0.27 O ATOM 293 C5' U A 10 38.460 25.265 23.288 1.00 0.28 C ATOM 294 C4' U A 10 38.037 26.695 23.623 1.00 0.29 C ATOM 295 O4' U A 10 38.622 27.120 24.852 1.00 0.32 O ATOM 296 C3' U A 10 38.498 27.665 22.538 1.00 0.34 C ATOM 297 O3' U A 10 37.529 27.792 21.480 1.00 0.41 O ATOM 298 C2' U A 10 38.653 28.963 23.328 1.00 0.41 C ATOM 299 O2' U A 10 37.419 29.683 23.442 1.00 0.57 O ATOM 300 C1' U A 10 39.123 28.448 24.669 1.00 0.34 C ATOM 301 N1 U A 10 40.591 28.456 24.726 1.00 0.34 N ATOM 302 C2 U A 10 41.206 29.631 25.171 1.00 0.39 C ATOM 303 O2 U A 10 40.574 30.615 25.571 1.00 0.46 O ATOM 304 N3 U A 10 42.581 29.626 25.156 1.00 0.47 N ATOM 305 C4 U A 10 43.396 28.579 24.745 1.00 0.51 C ATOM 306 O4 U A 10 44.610 28.703 24.753 1.00 0.64 O ATOM 307 C5 U A 10 42.685 27.394 24.297 1.00 0.48 C ATOM 308 C6 U A 10 41.330 27.360 24.304 1.00 0.41 C ATOM 0 H5' U A 10 38.022 24.969 22.335 1.00 0.28 H new ATOM 0 H5'' U A 10 39.543 25.224 23.167 1.00 0.28 H new ATOM 0 H4' U A 10 36.950 26.697 23.698 1.00 0.29 H new ATOM 0 H3' U A 10 39.407 27.350 22.025 1.00 0.34 H new ATOM 0 H2' U A 10 39.330 29.678 22.861 1.00 0.41 H new ATOM 0 HO2' U A 10 36.812 29.408 22.723 1.00 0.57 H new ATOM 0 H1' U A 10 38.749 29.091 25.466 1.00 0.34 H new ATOM 0 H3 U A 10 43.048 30.474 25.478 1.00 0.47 H new ATOM 0 H5 U A 10 43.241 26.533 23.956 1.00 0.48 H new ATOM 0 H6 U A 10 40.818 26.467 23.976 1.00 0.41 H new ATOM 319 P U A 11 37.858 28.654 20.143 1.00 0.33 P ATOM 320 OP1 U A 11 39.248 29.177 20.241 1.00 0.39 O ATOM 321 OP2 U A 11 36.753 29.594 19.912 1.00 0.39 O ATOM 322 O5' U A 11 37.810 27.513 19.001 1.00 0.39 O ATOM 323 C5' U A 11 36.595 27.152 18.328 1.00 0.31 C ATOM 324 C4' U A 11 36.866 26.712 16.882 1.00 0.24 C ATOM 325 O4' U A 11 38.056 25.944 16.799 1.00 0.25 O ATOM 326 C3' U A 11 35.739 25.847 16.315 1.00 0.22 C ATOM 327 O3' U A 11 35.711 25.930 14.884 1.00 0.22 O ATOM 328 C2' U A 11 36.166 24.438 16.801 1.00 0.24 C ATOM 329 O2' U A 11 35.713 23.412 15.914 1.00 0.31 O ATOM 330 C1' U A 11 37.712 24.554 16.789 1.00 0.25 C ATOM 331 N1 U A 11 38.290 23.899 17.974 1.00 0.28 N ATOM 332 C2 U A 11 38.163 22.512 18.094 1.00 0.33 C ATOM 333 O2 U A 11 37.710 21.795 17.198 1.00 0.39 O ATOM 334 N3 U A 11 38.646 21.967 19.269 1.00 0.39 N ATOM 335 C4 U A 11 39.224 22.668 20.318 1.00 0.41 C ATOM 336 O4 U A 11 39.587 22.083 21.333 1.00 0.50 O ATOM 337 C5 U A 11 39.327 24.097 20.105 1.00 0.40 C ATOM 338 C6 U A 11 38.864 24.661 18.966 1.00 0.35 C ATOM 0 H5' U A 11 35.910 28.000 18.330 1.00 0.31 H new ATOM 0 H5'' U A 11 36.103 26.344 18.870 1.00 0.31 H new ATOM 0 H4' U A 11 36.950 27.634 16.306 1.00 0.24 H new ATOM 0 H3' U A 11 34.737 26.135 16.632 1.00 0.22 H new ATOM 0 H2' U A 11 35.749 24.164 17.770 1.00 0.24 H new ATOM 0 HO2' U A 11 35.855 23.695 14.987 1.00 0.31 H new ATOM 0 H1' U A 11 38.108 24.064 15.899 1.00 0.25 H new ATOM 0 H3 U A 11 38.571 20.955 19.375 1.00 0.39 H new ATOM 0 H5 U A 11 39.778 24.719 20.864 1.00 0.40 H new ATOM 0 H6 U A 11 38.946 25.730 18.833 1.00 0.35 H new ATOM 349 P U A 12 34.373 25.559 14.064 1.00 0.25 P ATOM 350 OP1 U A 12 34.410 26.259 12.766 1.00 0.39 O ATOM 351 OP2 U A 12 33.198 25.727 14.953 1.00 0.34 O ATOM 352 O5' U A 12 34.612 23.994 13.802 1.00 0.25 O ATOM 353 C5' U A 12 33.528 23.141 13.481 1.00 0.26 C ATOM 354 C4' U A 12 33.873 21.678 13.665 1.00 0.20 C ATOM 355 O4' U A 12 34.481 21.445 14.925 1.00 0.26 O ATOM 356 C3' U A 12 32.613 20.837 13.543 1.00 0.21 C ATOM 357 O3' U A 12 32.764 19.816 12.564 1.00 0.22 O ATOM 358 C2' U A 12 32.403 20.237 14.960 1.00 0.25 C ATOM 359 O2' U A 12 32.025 18.852 14.910 1.00 0.32 O ATOM 360 C1' U A 12 33.781 20.389 15.593 1.00 0.25 C ATOM 361 N1 U A 12 33.599 20.655 17.029 1.00 0.26 N ATOM 362 C2 U A 12 33.195 19.600 17.822 1.00 0.26 C ATOM 363 O2 U A 12 33.110 18.470 17.393 1.00 0.28 O ATOM 364 N3 U A 12 32.910 19.904 19.138 1.00 0.28 N ATOM 365 C4 U A 12 33.005 21.145 19.728 1.00 0.30 C ATOM 366 O4 U A 12 32.738 21.303 20.924 1.00 0.34 O ATOM 367 C5 U A 12 33.455 22.185 18.824 1.00 0.32 C ATOM 368 C6 U A 12 33.741 21.910 17.534 1.00 0.30 C ATOM 0 H5' U A 12 33.227 23.314 12.448 1.00 0.26 H new ATOM 0 H5'' U A 12 32.673 23.392 14.109 1.00 0.26 H new ATOM 0 H4' U A 12 34.584 21.397 12.888 1.00 0.20 H new ATOM 0 H3' U A 12 31.756 21.427 13.217 1.00 0.21 H new ATOM 0 H2' U A 12 31.601 20.731 15.509 1.00 0.25 H new ATOM 0 HO2' U A 12 31.060 18.771 15.057 1.00 0.32 H new ATOM 0 H1' U A 12 34.378 19.483 15.489 1.00 0.25 H new ATOM 0 H3 U A 12 32.599 19.135 19.731 1.00 0.28 H new ATOM 0 H5 U A 12 33.563 23.196 19.189 1.00 0.32 H new ATOM 0 H6 U A 12 34.090 22.703 16.889 1.00 0.30 H new ATOM 379 P G A 13 31.471 19.421 11.676 1.00 0.22 P ATOM 380 OP1 G A 13 31.905 19.021 10.327 1.00 0.30 O ATOM 381 OP2 G A 13 30.459 20.488 11.832 1.00 0.30 O ATOM 382 O5' G A 13 30.947 18.105 12.445 1.00 0.21 O ATOM 383 C5' G A 13 31.553 16.834 12.189 1.00 0.22 C ATOM 384 C4' G A 13 31.211 15.807 13.255 1.00 0.22 C ATOM 385 O4' G A 13 31.758 16.173 14.518 1.00 0.28 O ATOM 386 C3' G A 13 29.703 15.695 13.456 1.00 0.20 C ATOM 387 O3' G A 13 29.057 14.873 12.488 1.00 0.19 O ATOM 388 C2' G A 13 29.651 15.081 14.850 1.00 0.25 C ATOM 389 O2' G A 13 29.916 13.676 14.847 1.00 0.32 O ATOM 390 C1' G A 13 30.784 15.850 15.524 1.00 0.26 C ATOM 391 N9 G A 13 30.274 17.066 16.170 1.00 0.26 N ATOM 392 C8 G A 13 29.708 18.194 15.612 1.00 0.31 C ATOM 393 N7 G A 13 29.315 19.092 16.473 1.00 0.33 N ATOM 394 C5 G A 13 29.645 18.523 17.697 1.00 0.28 C ATOM 395 C6 G A 13 29.469 19.034 19.001 1.00 0.30 C ATOM 396 O6 G A 13 28.993 20.105 19.347 1.00 0.38 O ATOM 397 N1 G A 13 29.944 18.144 19.959 1.00 0.26 N ATOM 398 C2 G A 13 30.525 16.929 19.685 1.00 0.23 C ATOM 399 N2 G A 13 30.960 16.228 20.727 1.00 0.24 N ATOM 400 N3 G A 13 30.694 16.441 18.467 1.00 0.22 N ATOM 401 C4 G A 13 30.232 17.287 17.517 1.00 0.24 C ATOM 0 H5' G A 13 32.635 16.954 12.137 1.00 0.22 H new ATOM 0 H5'' G A 13 31.226 16.467 11.216 1.00 0.22 H new ATOM 0 H4' G A 13 31.628 14.862 12.907 1.00 0.22 H new ATOM 0 H3' G A 13 29.178 16.644 13.348 1.00 0.20 H new ATOM 0 H2' G A 13 28.676 15.158 15.332 1.00 0.25 H new ATOM 0 HO2' G A 13 29.872 13.333 15.764 1.00 0.32 H new ATOM 0 H1' G A 13 31.241 15.240 16.303 1.00 0.26 H new ATOM 0 H8 G A 13 29.599 18.323 14.545 1.00 0.31 H new ATOM 0 H1 G A 13 29.854 18.414 20.939 1.00 0.26 H new ATOM 0 H21 G A 13 31.400 15.319 20.582 1.00 0.24 H new ATOM 0 H22 G A 13 30.854 16.599 21.671 1.00 0.24 H new ATOM 413 P C A 14 27.573 15.264 11.980 1.00 0.17 P ATOM 414 OP1 C A 14 27.271 14.461 10.769 1.00 0.27 O ATOM 415 OP2 C A 14 27.497 16.746 11.899 1.00 0.26 O ATOM 416 O5' C A 14 26.661 14.755 13.188 1.00 0.21 O ATOM 417 C5' C A 14 26.789 13.413 13.671 1.00 0.26 C ATOM 418 C4' C A 14 26.174 13.261 15.050 1.00 0.25 C ATOM 419 O4' C A 14 26.885 13.996 16.034 1.00 0.27 O ATOM 420 C3' C A 14 24.764 13.772 15.072 1.00 0.25 C ATOM 421 O3' C A 14 23.840 12.845 14.478 1.00 0.26 O ATOM 422 C2' C A 14 24.558 13.920 16.573 1.00 0.27 C ATOM 423 O2' C A 14 24.086 12.702 17.152 1.00 0.32 O ATOM 424 C1' C A 14 25.954 14.264 17.082 1.00 0.27 C ATOM 425 N1 C A 14 26.016 15.679 17.539 1.00 0.28 N ATOM 426 C2 C A 14 25.606 15.955 18.831 1.00 0.36 C ATOM 427 O2 C A 14 25.184 15.051 19.542 1.00 0.44 O ATOM 428 N3 C A 14 25.678 17.233 19.286 1.00 0.40 N ATOM 429 C4 C A 14 26.126 18.216 18.504 1.00 0.36 C ATOM 430 N4 C A 14 26.190 19.444 18.992 1.00 0.42 N ATOM 431 C5 C A 14 26.543 17.952 17.165 1.00 0.32 C ATOM 432 C6 C A 14 26.465 16.678 16.723 1.00 0.29 C ATOM 0 H5' C A 14 27.843 13.137 13.708 1.00 0.26 H new ATOM 0 H5'' C A 14 26.304 12.727 12.977 1.00 0.26 H new ATOM 0 H4' C A 14 26.212 12.195 15.273 1.00 0.25 H new ATOM 0 H3' C A 14 24.598 14.684 14.499 1.00 0.25 H new ATOM 0 H2' C A 14 23.811 14.671 16.829 1.00 0.27 H new ATOM 0 HO2' C A 14 23.437 12.905 17.858 1.00 0.32 H new ATOM 0 H1' C A 14 26.206 13.652 17.948 1.00 0.27 H new ATOM 0 H41 C A 14 26.530 20.208 18.408 1.00 0.42 H new ATOM 0 H42 C A 14 25.899 19.627 19.952 1.00 0.42 H new ATOM 0 H5 C A 14 26.908 18.743 16.527 1.00 0.32 H new ATOM 0 H6 C A 14 26.762 16.446 15.711 1.00 0.29 H new ATOM 444 P U A 15 22.263 13.166 14.502 1.00 0.27 P ATOM 445 OP1 U A 15 21.574 12.263 13.555 1.00 0.37 O ATOM 446 OP2 U A 15 22.073 14.620 14.363 1.00 0.37 O ATOM 447 O5' U A 15 21.835 12.736 15.993 1.00 0.23 O ATOM 448 C5' U A 15 21.720 11.358 16.334 1.00 0.23 C ATOM 449 C4' U A 15 21.225 11.191 17.748 1.00 0.22 C ATOM 450 O4' U A 15 22.184 11.686 18.674 1.00 0.27 O ATOM 451 C3' U A 15 19.937 11.959 17.973 1.00 0.19 C ATOM 452 O3' U A 15 18.777 11.214 17.593 1.00 0.19 O ATOM 453 C2' U A 15 20.003 12.173 19.476 1.00 0.22 C ATOM 454 O2' U A 15 19.585 11.007 20.200 1.00 0.27 O ATOM 455 C1' U A 15 21.484 12.429 19.666 1.00 0.25 C ATOM 456 N1 U A 15 21.770 13.877 19.561 1.00 0.24 N ATOM 457 C2 U A 15 21.751 14.626 20.727 1.00 0.28 C ATOM 458 O2 U A 15 21.470 14.139 21.822 1.00 0.35 O ATOM 459 N3 U A 15 22.026 15.975 20.583 1.00 0.30 N ATOM 460 C4 U A 15 22.333 16.624 19.403 1.00 0.31 C ATOM 461 O4 U A 15 22.566 17.827 19.396 1.00 0.40 O ATOM 462 C5 U A 15 22.329 15.769 18.243 1.00 0.30 C ATOM 463 C6 U A 15 22.061 14.448 18.353 1.00 0.26 C ATOM 0 H5' U A 15 22.689 10.870 16.224 1.00 0.23 H new ATOM 0 H5'' U A 15 21.035 10.865 15.644 1.00 0.23 H new ATOM 0 H4' U A 15 21.056 10.125 17.901 1.00 0.22 H new ATOM 0 H3' U A 15 19.853 12.871 17.382 1.00 0.19 H new ATOM 0 H2' U A 15 19.352 12.968 19.840 1.00 0.22 H new ATOM 0 HO2' U A 15 19.642 11.182 21.163 1.00 0.27 H new ATOM 0 H1' U A 15 21.808 12.110 20.657 1.00 0.25 H new ATOM 0 H3 U A 15 21.999 16.544 21.429 1.00 0.30 H new ATOM 0 H5 U A 15 22.543 16.189 17.271 1.00 0.30 H new ATOM 0 H6 U A 15 22.077 13.830 17.467 1.00 0.26 H new ATOM 474 P C A 16 17.340 11.943 17.537 1.00 0.19 P ATOM 475 OP1 C A 16 16.290 10.908 17.493 1.00 0.28 O ATOM 476 OP2 C A 16 17.379 12.978 16.486 1.00 0.27 O ATOM 477 O5' C A 16 17.275 12.683 18.974 1.00 0.23 O ATOM 478 C5' C A 16 17.106 11.928 20.179 1.00 0.22 C ATOM 479 C4' C A 16 16.984 12.828 21.408 1.00 0.22 C ATOM 480 O4' C A 16 18.123 13.666 21.572 1.00 0.25 O ATOM 481 C3' C A 16 15.771 13.716 21.297 1.00 0.23 C ATOM 482 O3' C A 16 14.573 13.028 21.690 1.00 0.23 O ATOM 483 C2' C A 16 16.151 14.818 22.275 1.00 0.26 C ATOM 484 O2' C A 16 15.842 14.472 23.636 1.00 0.31 O ATOM 485 C1' C A 16 17.656 14.930 22.046 1.00 0.25 C ATOM 486 N1 C A 16 17.958 16.000 21.070 1.00 0.28 N ATOM 487 C2 C A 16 17.803 17.316 21.483 1.00 0.37 C ATOM 488 O2 C A 16 17.418 17.564 22.619 1.00 0.44 O ATOM 489 N3 C A 16 18.093 18.313 20.600 1.00 0.41 N ATOM 490 C4 C A 16 18.512 18.029 19.359 1.00 0.39 C ATOM 491 N4 C A 16 18.800 19.026 18.524 1.00 0.46 N ATOM 492 C5 C A 16 18.662 16.677 18.925 1.00 0.37 C ATOM 493 C6 C A 16 18.375 15.703 19.804 1.00 0.31 C ATOM 0 H5' C A 16 17.953 11.254 20.306 1.00 0.22 H new ATOM 0 H5'' C A 16 16.214 11.307 20.095 1.00 0.22 H new ATOM 0 H4' C A 16 16.899 12.164 22.268 1.00 0.22 H new ATOM 0 H3' C A 16 15.547 14.066 20.289 1.00 0.23 H new ATOM 0 H2' C A 16 15.607 15.749 22.114 1.00 0.26 H new ATOM 0 HO2' C A 16 16.104 15.208 24.228 1.00 0.31 H new ATOM 0 H1' C A 16 18.159 15.190 22.977 1.00 0.25 H new ATOM 0 H41 C A 16 19.120 18.822 17.577 1.00 0.46 H new ATOM 0 H42 C A 16 18.701 19.993 18.831 1.00 0.46 H new ATOM 0 H5 C A 16 18.995 16.446 17.924 1.00 0.37 H new ATOM 0 H6 C A 16 18.475 14.670 19.505 1.00 0.31 H new ATOM 505 P A A 17 13.130 13.658 21.343 1.00 0.22 P ATOM 506 OP1 A A 17 12.078 12.682 21.691 1.00 0.29 O ATOM 507 OP2 A A 17 13.180 14.211 19.974 1.00 0.28 O ATOM 508 O5' A A 17 13.051 14.899 22.367 1.00 0.22 O ATOM 509 C5' A A 17 12.917 14.672 23.764 1.00 0.30 C ATOM 510 C4' A A 17 12.854 15.977 24.538 1.00 0.29 C ATOM 511 O4' A A 17 13.999 16.777 24.267 1.00 0.31 O ATOM 512 C3' A A 17 11.644 16.774 24.146 1.00 0.29 C ATOM 513 O3' A A 17 10.462 16.347 24.841 1.00 0.40 O ATOM 514 C2' A A 17 12.086 18.157 24.561 1.00 0.30 C ATOM 515 O2' A A 17 11.912 18.363 25.971 1.00 0.38 O ATOM 516 C1' A A 17 13.556 18.127 24.163 1.00 0.29 C ATOM 517 N9 A A 17 13.722 18.641 22.785 1.00 0.28 N ATOM 518 C8 A A 17 13.898 17.949 21.625 1.00 0.29 C ATOM 519 N7 A A 17 13.969 18.684 20.564 1.00 0.32 N ATOM 520 C5 A A 17 13.825 19.981 21.066 1.00 0.33 C ATOM 521 C6 A A 17 13.801 21.237 20.449 1.00 0.40 C ATOM 522 N6 A A 17 13.904 21.400 19.132 1.00 0.44 N ATOM 523 N1 A A 17 13.641 22.309 21.233 1.00 0.44 N ATOM 524 C2 A A 17 13.498 22.159 22.550 1.00 0.42 C ATOM 525 N3 A A 17 13.511 21.020 23.237 1.00 0.36 N ATOM 526 C4 A A 17 13.675 19.963 22.419 1.00 0.31 C ATOM 0 H5' A A 17 13.759 14.078 24.119 1.00 0.30 H new ATOM 0 H5'' A A 17 12.014 14.091 23.954 1.00 0.30 H new ATOM 0 H4' A A 17 12.810 15.720 25.596 1.00 0.29 H new ATOM 0 H3' A A 17 11.360 16.684 23.097 1.00 0.29 H new ATOM 0 H2' A A 17 11.521 18.969 24.104 1.00 0.30 H new ATOM 0 HO2' A A 17 11.266 17.714 26.319 1.00 0.38 H new ATOM 0 HO3' A A 17 9.700 16.894 24.557 1.00 0.40 H new ATOM 0 H1' A A 17 14.151 18.764 24.818 1.00 0.29 H new ATOM 0 H8 A A 17 13.972 16.872 21.594 1.00 0.29 H new ATOM 0 H61 A A 17 13.881 22.338 18.731 1.00 0.44 H new ATOM 0 H62 A A 17 14.006 20.587 18.524 1.00 0.44 H new ATOM 0 H2 A A 17 13.356 23.063 23.123 1.00 0.42 H new TER 539 A A 17