USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 170 hydrogens (18 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 -24:sc= 0.394 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -20:sc= 0.198 USER MOD Single : A 3 G O2' : rot -23:sc= 0.315 USER MOD Single : A 4 U O2' : rot -24:sc= 0.312 USER MOD Single : A 5 C O2' : rot -22:sc= 0.198 USER MOD Single : A 6 U O2' : rot 5:sc= -1.34 USER MOD Single : A 7 U O2' : rot -147:sc= -1.5! USER MOD Single : A 8 C O2' : rot 30:sc= 0.212 USER MOD Single : A 9 G O2' : rot -17:sc= 0.275 USER MOD Single : A 10 G O2' : rot -170:sc= -2.01! USER MOD Single : A 11 G O2' : rot -16:sc= 0.273 USER MOD Single : A 12 U O2' : rot -21:sc= 0.325 USER MOD Single : A 13 C O2' : rot -17:sc= 0.314 USER MOD Single : A 14 C O2' : rot -16:sc= 0.124 USER MOD Single : A 14 C O3' : rot 180:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 8.797 -4.033 4.501 1.00 0.00 O ATOM 2 C5' G A 1 9.999 -4.553 3.919 1.00 0.00 C ATOM 3 C4' G A 1 9.702 -5.468 2.733 1.00 0.00 C ATOM 4 O4' G A 1 8.880 -6.548 3.161 1.00 0.00 O ATOM 5 C3' G A 1 8.910 -4.823 1.613 1.00 0.00 C ATOM 6 O3' G A 1 9.856 -4.261 0.694 1.00 0.00 O ATOM 7 C2' G A 1 8.244 -6.012 0.931 1.00 0.00 C ATOM 8 O2' G A 1 9.130 -6.608 -0.024 1.00 0.00 O ATOM 9 C1' G A 1 7.998 -6.963 2.103 1.00 0.00 C ATOM 10 N9 G A 1 6.637 -6.841 2.629 1.00 0.00 N ATOM 11 C8 G A 1 6.256 -6.252 3.797 1.00 0.00 C ATOM 12 N7 G A 1 4.970 -6.283 4.009 1.00 0.00 N ATOM 13 C5 G A 1 4.466 -6.941 2.889 1.00 0.00 C ATOM 14 C6 G A 1 3.126 -7.274 2.547 1.00 0.00 C ATOM 15 O6 G A 1 2.096 -7.051 3.179 1.00 0.00 O ATOM 16 N1 G A 1 3.059 -7.933 1.334 1.00 0.00 N ATOM 17 C2 G A 1 4.138 -8.239 0.544 1.00 0.00 C ATOM 18 N2 G A 1 3.889 -8.864 -0.599 1.00 0.00 N ATOM 19 N3 G A 1 5.397 -7.936 0.847 1.00 0.00 N ATOM 20 C4 G A 1 5.484 -7.289 2.034 1.00 0.00 C ATOM 0 H5' G A 1 10.559 -5.105 4.673 1.00 0.00 H new ATOM 0 H5'' G A 1 10.632 -3.728 3.593 1.00 0.00 H new ATOM 0 H4' G A 1 10.686 -5.757 2.365 1.00 0.00 H new ATOM 0 H3' G A 1 8.208 -4.057 1.942 1.00 0.00 H new ATOM 0 H2' G A 1 7.341 -5.752 0.379 1.00 0.00 H new ATOM 0 HO2' G A 1 9.787 -5.944 -0.320 1.00 0.00 H new ATOM 0 HO5' G A 1 9.024 -3.453 5.258 1.00 0.00 H new ATOM 0 H1' G A 1 8.158 -7.987 1.765 1.00 0.00 H new ATOM 0 H8 G A 1 6.956 -5.800 4.485 1.00 0.00 H new ATOM 0 H1 G A 1 2.137 -8.213 1.001 1.00 0.00 H new ATOM 0 H21 G A 1 4.657 -9.113 -1.222 1.00 0.00 H new ATOM 0 H22 G A 1 2.929 -9.095 -0.855 1.00 0.00 H new ATOM 33 P G A 2 9.611 -2.805 0.047 1.00 0.00 P ATOM 34 OP1 G A 2 10.919 -2.269 -0.391 1.00 0.00 O ATOM 35 OP2 G A 2 8.766 -2.020 0.974 1.00 0.00 O ATOM 36 O5' G A 2 8.736 -3.143 -1.266 1.00 0.00 O ATOM 37 C5' G A 2 9.370 -3.591 -2.472 1.00 0.00 C ATOM 38 C4' G A 2 8.389 -4.301 -3.401 1.00 0.00 C ATOM 39 O4' G A 2 7.775 -5.393 -2.703 1.00 0.00 O ATOM 40 C3' G A 2 7.207 -3.465 -3.860 1.00 0.00 C ATOM 41 O3' G A 2 7.592 -2.774 -5.057 1.00 0.00 O ATOM 42 C2' G A 2 6.208 -4.539 -4.251 1.00 0.00 C ATOM 43 O2' G A 2 6.571 -5.140 -5.499 1.00 0.00 O ATOM 44 C1' G A 2 6.396 -5.525 -3.100 1.00 0.00 C ATOM 45 N9 G A 2 5.560 -5.176 -1.941 1.00 0.00 N ATOM 46 C8 G A 2 5.892 -4.388 -0.874 1.00 0.00 C ATOM 47 N7 G A 2 4.925 -4.238 -0.012 1.00 0.00 N ATOM 48 C5 G A 2 3.881 -4.981 -0.551 1.00 0.00 C ATOM 49 C6 G A 2 2.564 -5.197 -0.061 1.00 0.00 C ATOM 50 O6 G A 2 2.051 -4.772 0.970 1.00 0.00 O ATOM 51 N1 G A 2 1.831 -6.005 -0.908 1.00 0.00 N ATOM 52 C2 G A 2 2.296 -6.545 -2.080 1.00 0.00 C ATOM 53 N2 G A 2 1.455 -7.302 -2.769 1.00 0.00 N ATOM 54 N3 G A 2 3.525 -6.356 -2.554 1.00 0.00 N ATOM 55 C4 G A 2 4.260 -5.562 -1.737 1.00 0.00 C ATOM 0 H5' G A 2 10.188 -4.267 -2.223 1.00 0.00 H new ATOM 0 H5'' G A 2 9.808 -2.738 -2.990 1.00 0.00 H new ATOM 0 H4' G A 2 9.000 -4.576 -4.261 1.00 0.00 H new ATOM 0 H3' G A 2 6.846 -2.744 -3.127 1.00 0.00 H new ATOM 0 H2' G A 2 5.186 -4.186 -4.389 1.00 0.00 H new ATOM 0 HO2' G A 2 7.176 -4.542 -5.986 1.00 0.00 H new ATOM 0 H1' G A 2 6.122 -6.530 -3.420 1.00 0.00 H new ATOM 0 H8 G A 2 6.864 -3.932 -0.756 1.00 0.00 H new ATOM 0 H1 G A 2 0.869 -6.217 -0.641 1.00 0.00 H new ATOM 0 H21 G A 2 1.753 -7.726 -3.647 1.00 0.00 H new ATOM 0 H22 G A 2 0.509 -7.460 -2.421 1.00 0.00 H new ATOM 67 P G A 3 6.874 -1.387 -5.468 1.00 0.00 P ATOM 68 OP1 G A 3 7.455 -0.930 -6.751 1.00 0.00 O ATOM 69 OP2 G A 3 6.888 -0.490 -4.292 1.00 0.00 O ATOM 70 O5' G A 3 5.349 -1.842 -5.738 1.00 0.00 O ATOM 71 C5' G A 3 4.998 -2.553 -6.930 1.00 0.00 C ATOM 72 C4' G A 3 3.557 -3.062 -6.891 1.00 0.00 C ATOM 73 O4' G A 3 3.362 -3.878 -5.730 1.00 0.00 O ATOM 74 C3' G A 3 2.494 -1.995 -6.738 1.00 0.00 C ATOM 75 O3' G A 3 2.182 -1.495 -8.046 1.00 0.00 O ATOM 76 C2' G A 3 1.308 -2.820 -6.265 1.00 0.00 C ATOM 77 O2' G A 3 0.726 -3.543 -7.356 1.00 0.00 O ATOM 78 C1' G A 3 1.991 -3.778 -5.284 1.00 0.00 C ATOM 79 N9 G A 3 1.970 -3.270 -3.899 1.00 0.00 N ATOM 80 C8 G A 3 3.007 -2.803 -3.134 1.00 0.00 C ATOM 81 N7 G A 3 2.649 -2.423 -1.940 1.00 0.00 N ATOM 82 C5 G A 3 1.277 -2.653 -1.912 1.00 0.00 C ATOM 83 C6 G A 3 0.332 -2.433 -0.873 1.00 0.00 C ATOM 84 O6 G A 3 0.524 -1.986 0.254 1.00 0.00 O ATOM 85 N1 G A 3 -0.943 -2.796 -1.260 1.00 0.00 N ATOM 86 C2 G A 3 -1.278 -3.311 -2.485 1.00 0.00 C ATOM 87 N2 G A 3 -2.553 -3.603 -2.687 1.00 0.00 N ATOM 88 N3 G A 3 -0.406 -3.525 -3.467 1.00 0.00 N ATOM 89 C4 G A 3 0.852 -3.172 -3.109 1.00 0.00 C ATOM 0 H5' G A 3 5.677 -3.396 -7.062 1.00 0.00 H new ATOM 0 H5'' G A 3 5.128 -1.900 -7.793 1.00 0.00 H new ATOM 0 H4' G A 3 3.444 -3.568 -7.850 1.00 0.00 H new ATOM 0 H3' G A 3 2.767 -1.163 -6.089 1.00 0.00 H new ATOM 0 H2' G A 3 0.494 -2.236 -5.835 1.00 0.00 H new ATOM 0 HO2' G A 3 0.947 -3.096 -8.200 1.00 0.00 H new ATOM 0 H1' G A 3 1.471 -4.736 -5.273 1.00 0.00 H new ATOM 0 H8 G A 3 4.026 -2.754 -3.488 1.00 0.00 H new ATOM 0 H1 G A 3 -1.694 -2.671 -0.581 1.00 0.00 H new ATOM 0 H21 G A 3 -2.852 -3.989 -3.583 1.00 0.00 H new ATOM 0 H22 G A 3 -3.236 -3.442 -1.947 1.00 0.00 H new ATOM 101 P U A 4 1.807 0.058 -8.261 1.00 0.00 P ATOM 102 OP1 U A 4 1.444 0.255 -9.682 1.00 0.00 O ATOM 103 OP2 U A 4 2.875 0.880 -7.650 1.00 0.00 O ATOM 104 O5' U A 4 0.475 0.226 -7.368 1.00 0.00 O ATOM 105 C5' U A 4 -0.803 -0.203 -7.861 1.00 0.00 C ATOM 106 C4' U A 4 -1.890 -0.063 -6.798 1.00 0.00 C ATOM 107 O4' U A 4 -1.559 -0.882 -5.668 1.00 0.00 O ATOM 108 C3' U A 4 -2.026 1.326 -6.205 1.00 0.00 C ATOM 109 O3' U A 4 -2.969 2.050 -7.007 1.00 0.00 O ATOM 110 C2' U A 4 -2.682 1.038 -4.865 1.00 0.00 C ATOM 111 O2' U A 4 -4.078 0.769 -5.029 1.00 0.00 O ATOM 112 C1' U A 4 -1.934 -0.228 -4.442 1.00 0.00 C ATOM 113 N1 U A 4 -0.708 0.073 -3.673 1.00 0.00 N ATOM 114 C2 U A 4 -0.839 0.295 -2.314 1.00 0.00 C ATOM 115 O2 U A 4 -1.925 0.270 -1.738 1.00 0.00 O ATOM 116 N3 U A 4 0.325 0.569 -1.632 1.00 0.00 N ATOM 117 C4 U A 4 1.589 0.644 -2.176 1.00 0.00 C ATOM 118 O4 U A 4 2.549 0.911 -1.461 1.00 0.00 O ATOM 119 C5 U A 4 1.649 0.402 -3.599 1.00 0.00 C ATOM 120 C6 U A 4 0.517 0.128 -4.288 1.00 0.00 C ATOM 0 H5' U A 4 -0.739 -1.242 -8.183 1.00 0.00 H new ATOM 0 H5'' U A 4 -1.072 0.386 -8.738 1.00 0.00 H new ATOM 0 H4' U A 4 -2.808 -0.336 -7.318 1.00 0.00 H new ATOM 0 H3' U A 4 -1.093 1.886 -6.141 1.00 0.00 H new ATOM 0 H2' U A 4 -2.627 1.859 -4.150 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.396 1.184 -5.858 1.00 0.00 H new ATOM 0 H1' U A 4 -2.569 -0.837 -3.799 1.00 0.00 H new ATOM 0 H3 U A 4 0.244 0.732 -0.628 1.00 0.00 H new ATOM 0 H5 U A 4 2.598 0.440 -4.113 1.00 0.00 H new ATOM 0 H6 U A 4 0.580 -0.052 -5.351 1.00 0.00 H new ATOM 131 P C A 5 -2.864 3.652 -7.156 1.00 0.00 P ATOM 132 OP1 C A 5 -3.744 4.074 -8.269 1.00 0.00 O ATOM 133 OP2 C A 5 -1.431 4.023 -7.165 1.00 0.00 O ATOM 134 O5' C A 5 -3.507 4.175 -5.772 1.00 0.00 O ATOM 135 C5' C A 5 -4.923 4.357 -5.639 1.00 0.00 C ATOM 136 C4' C A 5 -5.301 4.816 -4.234 1.00 0.00 C ATOM 137 O4' C A 5 -4.883 3.831 -3.281 1.00 0.00 O ATOM 138 C3' C A 5 -4.610 6.077 -3.762 1.00 0.00 C ATOM 139 O3' C A 5 -5.399 7.197 -4.185 1.00 0.00 O ATOM 140 C2' C A 5 -4.748 5.959 -2.254 1.00 0.00 C ATOM 141 O2' C A 5 -6.080 6.276 -1.840 1.00 0.00 O ATOM 142 C1' C A 5 -4.465 4.469 -2.057 1.00 0.00 C ATOM 143 N1 C A 5 -3.029 4.190 -1.841 1.00 0.00 N ATOM 144 C2 C A 5 -2.573 4.146 -0.533 1.00 0.00 C ATOM 145 O2 C A 5 -3.342 4.350 0.403 1.00 0.00 O ATOM 146 N3 C A 5 -1.260 3.882 -0.306 1.00 0.00 N ATOM 147 C4 C A 5 -0.422 3.668 -1.324 1.00 0.00 C ATOM 148 N4 C A 5 0.850 3.418 -1.031 1.00 0.00 N ATOM 149 C5 C A 5 -0.880 3.713 -2.677 1.00 0.00 C ATOM 150 C6 C A 5 -2.182 3.974 -2.889 1.00 0.00 C ATOM 0 H5' C A 5 -5.434 3.421 -5.866 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.266 5.092 -6.367 1.00 0.00 H new ATOM 0 H4' C A 5 -6.376 4.983 -4.295 1.00 0.00 H new ATOM 0 H3' C A 5 -3.588 6.198 -4.121 1.00 0.00 H new ATOM 0 H2' C A 5 -4.100 6.626 -1.686 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.516 6.819 -2.529 1.00 0.00 H new ATOM 0 H1' C A 5 -4.992 4.105 -1.175 1.00 0.00 H new ATOM 0 H41 C A 5 1.522 3.249 -1.779 1.00 0.00 H new ATOM 0 H42 C A 5 1.154 3.395 -0.058 1.00 0.00 H new ATOM 0 H5 C A 5 -0.203 3.543 -3.501 1.00 0.00 H new ATOM 0 H6 C A 5 -2.561 4.013 -3.899 1.00 0.00 H new ATOM 162 P U A 6 -4.712 8.632 -4.445 1.00 0.00 P ATOM 163 OP1 U A 6 -5.768 9.588 -4.846 1.00 0.00 O ATOM 164 OP2 U A 6 -3.530 8.428 -5.314 1.00 0.00 O ATOM 165 O5' U A 6 -4.186 9.042 -2.976 1.00 0.00 O ATOM 166 C5' U A 6 -5.107 9.455 -1.958 1.00 0.00 C ATOM 167 C4' U A 6 -4.455 9.482 -0.578 1.00 0.00 C ATOM 168 O4' U A 6 -3.931 8.184 -0.269 1.00 0.00 O ATOM 169 C3' U A 6 -3.252 10.394 -0.451 1.00 0.00 C ATOM 170 O3' U A 6 -3.740 11.690 -0.080 1.00 0.00 O ATOM 171 C2' U A 6 -2.533 9.802 0.752 1.00 0.00 C ATOM 172 O2' U A 6 -3.179 10.185 1.970 1.00 0.00 O ATOM 173 C1' U A 6 -2.715 8.302 0.492 1.00 0.00 C ATOM 174 N1 U A 6 -1.607 7.722 -0.297 1.00 0.00 N ATOM 175 C2 U A 6 -0.598 7.075 0.393 1.00 0.00 C ATOM 176 O2 U A 6 -0.592 6.971 1.618 1.00 0.00 O ATOM 177 N3 U A 6 0.413 6.541 -0.374 1.00 0.00 N ATOM 178 C4 U A 6 0.506 6.595 -1.748 1.00 0.00 C ATOM 179 O4 U A 6 1.456 6.068 -2.317 1.00 0.00 O ATOM 180 C5 U A 6 -0.580 7.287 -2.401 1.00 0.00 C ATOM 181 C6 U A 6 -1.584 7.819 -1.665 1.00 0.00 C ATOM 0 H5' U A 6 -5.960 8.777 -1.943 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.492 10.446 -2.197 1.00 0.00 H new ATOM 0 H4' U A 6 -5.251 9.831 0.079 1.00 0.00 H new ATOM 0 H3' U A 6 -2.637 10.475 -1.348 1.00 0.00 H new ATOM 0 H2' U A 6 -1.497 10.122 0.860 1.00 0.00 H new ATOM 0 HO2' U A 6 -3.998 10.682 1.764 1.00 0.00 H new ATOM 0 H1' U A 6 -2.740 7.766 1.441 1.00 0.00 H new ATOM 0 H3 U A 6 1.164 6.060 0.121 1.00 0.00 H new ATOM 0 H5 U A 6 -0.591 7.380 -3.477 1.00 0.00 H new ATOM 0 H6 U A 6 -2.389 8.334 -2.169 1.00 0.00 H new ATOM 192 P U A 7 -2.832 13.008 -0.267 1.00 0.00 P ATOM 193 OP1 U A 7 -3.729 14.163 -0.495 1.00 0.00 O ATOM 194 OP2 U A 7 -1.757 12.704 -1.242 1.00 0.00 O ATOM 195 O5' U A 7 -2.161 13.167 1.189 1.00 0.00 O ATOM 196 C5' U A 7 -1.697 14.439 1.659 1.00 0.00 C ATOM 197 C4' U A 7 -1.585 14.462 3.180 1.00 0.00 C ATOM 198 O4' U A 7 -2.893 14.285 3.757 1.00 0.00 O ATOM 199 C3' U A 7 -0.742 13.330 3.765 1.00 0.00 C ATOM 200 O3' U A 7 -0.204 13.792 5.010 1.00 0.00 O ATOM 201 C2' U A 7 -1.774 12.260 4.079 1.00 0.00 C ATOM 202 O2' U A 7 -1.300 11.375 5.097 1.00 0.00 O ATOM 203 C1' U A 7 -2.916 13.122 4.593 1.00 0.00 C ATOM 204 N1 U A 7 -4.232 12.463 4.461 1.00 0.00 N ATOM 205 C2 U A 7 -4.953 12.234 5.619 1.00 0.00 C ATOM 206 O2 U A 7 -4.549 12.565 6.731 1.00 0.00 O ATOM 207 N3 U A 7 -6.169 11.610 5.459 1.00 0.00 N ATOM 208 C4 U A 7 -6.724 11.201 4.266 1.00 0.00 C ATOM 209 O4 U A 7 -7.823 10.654 4.259 1.00 0.00 O ATOM 210 C5 U A 7 -5.917 11.474 3.100 1.00 0.00 C ATOM 211 C6 U A 7 -4.715 12.087 3.235 1.00 0.00 C ATOM 0 H5' U A 7 -2.381 15.222 1.331 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.725 14.660 1.218 1.00 0.00 H new ATOM 0 H4' U A 7 -1.117 15.419 3.413 1.00 0.00 H new ATOM 0 H3' U A 7 0.063 12.992 3.113 1.00 0.00 H new ATOM 0 H2' U A 7 -2.032 11.612 3.241 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.653 10.475 4.938 1.00 0.00 H new ATOM 0 H1' U A 7 -2.786 13.333 5.654 1.00 0.00 H new ATOM 0 H3 U A 7 -6.711 11.433 6.305 1.00 0.00 H new ATOM 0 H5 U A 7 -6.271 11.190 2.120 1.00 0.00 H new ATOM 0 H6 U A 7 -4.123 12.284 2.353 1.00 0.00 H new ATOM 222 P C A 8 1.390 13.853 5.234 1.00 0.00 P ATOM 223 OP1 C A 8 1.649 14.025 6.682 1.00 0.00 O ATOM 224 OP2 C A 8 1.954 14.821 4.264 1.00 0.00 O ATOM 225 O5' C A 8 1.864 12.372 4.801 1.00 0.00 O ATOM 226 C5' C A 8 1.561 11.239 5.625 1.00 0.00 C ATOM 227 C4' C A 8 2.113 9.940 5.040 1.00 0.00 C ATOM 228 O4' C A 8 1.453 9.648 3.796 1.00 0.00 O ATOM 229 C3' C A 8 3.606 9.966 4.709 1.00 0.00 C ATOM 230 O3' C A 8 4.113 8.638 4.921 1.00 0.00 O ATOM 231 C2' C A 8 3.632 10.233 3.209 1.00 0.00 C ATOM 232 O2' C A 8 4.827 9.713 2.618 1.00 0.00 O ATOM 233 C1' C A 8 2.412 9.440 2.759 1.00 0.00 C ATOM 234 N1 C A 8 1.841 9.917 1.481 1.00 0.00 N ATOM 235 C2 C A 8 1.936 9.079 0.380 1.00 0.00 C ATOM 236 O2 C A 8 2.497 7.990 0.476 1.00 0.00 O ATOM 237 N3 C A 8 1.393 9.487 -0.799 1.00 0.00 N ATOM 238 C4 C A 8 0.780 10.671 -0.894 1.00 0.00 C ATOM 239 N4 C A 8 0.258 11.004 -2.070 1.00 0.00 N ATOM 240 C5 C A 8 0.679 11.541 0.236 1.00 0.00 C ATOM 241 C6 C A 8 1.221 11.130 1.394 1.00 0.00 C ATOM 0 H5' C A 8 0.481 11.154 5.741 1.00 0.00 H new ATOM 0 H5'' C A 8 1.977 11.394 6.621 1.00 0.00 H new ATOM 0 H4' C A 8 1.939 9.199 5.820 1.00 0.00 H new ATOM 0 H3' C A 8 4.177 10.687 5.293 1.00 0.00 H new ATOM 0 H2' C A 8 3.615 11.288 2.934 1.00 0.00 H new ATOM 0 HO2' C A 8 5.129 8.930 3.125 1.00 0.00 H new ATOM 0 H1' C A 8 2.683 8.397 2.593 1.00 0.00 H new ATOM 0 H41 C A 8 -0.218 11.899 -2.182 1.00 0.00 H new ATOM 0 H42 C A 8 0.333 10.364 -2.861 1.00 0.00 H new ATOM 0 H5 C A 8 0.183 12.497 0.161 1.00 0.00 H new ATOM 0 H6 C A 8 1.166 11.766 2.265 1.00 0.00 H new ATOM 253 P G A 9 5.319 8.364 5.963 1.00 0.00 P ATOM 254 OP1 G A 9 6.074 9.625 6.144 1.00 0.00 O ATOM 255 OP2 G A 9 6.030 7.139 5.530 1.00 0.00 O ATOM 256 O5' G A 9 4.549 8.036 7.343 1.00 0.00 O ATOM 257 C5' G A 9 3.663 8.995 7.936 1.00 0.00 C ATOM 258 C4' G A 9 2.687 8.338 8.907 1.00 0.00 C ATOM 259 O4' G A 9 1.527 9.176 9.034 1.00 0.00 O ATOM 260 C3' G A 9 2.107 7.014 8.446 1.00 0.00 C ATOM 261 O3' G A 9 2.988 5.974 8.893 1.00 0.00 O ATOM 262 C2' G A 9 0.832 6.926 9.267 1.00 0.00 C ATOM 263 O2' G A 9 1.127 6.556 10.618 1.00 0.00 O ATOM 264 C1' G A 9 0.340 8.372 9.197 1.00 0.00 C ATOM 265 N9 G A 9 -0.576 8.613 8.057 1.00 0.00 N ATOM 266 C8 G A 9 -1.768 9.290 8.055 1.00 0.00 C ATOM 267 N7 G A 9 -2.348 9.333 6.888 1.00 0.00 N ATOM 268 C5 G A 9 -1.480 8.636 6.053 1.00 0.00 C ATOM 269 C6 G A 9 -1.578 8.350 4.661 1.00 0.00 C ATOM 270 O6 G A 9 -2.471 8.659 3.877 1.00 0.00 O ATOM 271 N1 G A 9 -0.491 7.623 4.213 1.00 0.00 N ATOM 272 C2 G A 9 0.560 7.219 4.993 1.00 0.00 C ATOM 273 N2 G A 9 1.524 6.531 4.399 1.00 0.00 N ATOM 274 N3 G A 9 0.666 7.476 6.293 1.00 0.00 N ATOM 275 C4 G A 9 -0.388 8.189 6.758 1.00 0.00 C ATOM 0 H5' G A 9 3.106 9.509 7.152 1.00 0.00 H new ATOM 0 H5'' G A 9 4.245 9.752 8.462 1.00 0.00 H new ATOM 0 H4' G A 9 3.272 8.188 9.814 1.00 0.00 H new ATOM 0 H3' G A 9 1.961 6.930 7.369 1.00 0.00 H new ATOM 0 H2' G A 9 0.114 6.187 8.912 1.00 0.00 H new ATOM 0 HO2' G A 9 2.029 6.176 10.664 1.00 0.00 H new ATOM 0 H1' G A 9 -0.226 8.615 10.096 1.00 0.00 H new ATOM 0 H8 G A 9 -2.188 9.746 8.939 1.00 0.00 H new ATOM 0 H1 G A 9 -0.470 7.368 3.226 1.00 0.00 H new ATOM 0 H21 G A 9 2.327 6.209 4.939 1.00 0.00 H new ATOM 0 H22 G A 9 1.463 6.324 3.402 1.00 0.00 H new ATOM 287 P G A 10 3.726 5.003 7.836 1.00 0.00 P ATOM 288 OP1 G A 10 5.132 4.834 8.270 1.00 0.00 O ATOM 289 OP2 G A 10 3.431 5.485 6.466 1.00 0.00 O ATOM 290 O5' G A 10 2.965 3.591 8.047 1.00 0.00 O ATOM 291 C5' G A 10 2.357 3.263 9.305 1.00 0.00 C ATOM 292 C4' G A 10 0.833 3.232 9.213 1.00 0.00 C ATOM 293 O4' G A 10 0.415 4.336 8.398 1.00 0.00 O ATOM 294 C3' G A 10 0.259 2.016 8.499 1.00 0.00 C ATOM 295 O3' G A 10 -0.068 1.036 9.493 1.00 0.00 O ATOM 296 C2' G A 10 -1.044 2.550 7.938 1.00 0.00 C ATOM 297 O2' G A 10 -2.040 2.664 8.963 1.00 0.00 O ATOM 298 C1' G A 10 -0.599 3.924 7.466 1.00 0.00 C ATOM 299 N9 G A 10 0.032 3.843 6.140 1.00 0.00 N ATOM 300 C8 G A 10 1.314 3.461 5.844 1.00 0.00 C ATOM 301 N7 G A 10 1.578 3.456 4.567 1.00 0.00 N ATOM 302 C5 G A 10 0.385 3.865 3.980 1.00 0.00 C ATOM 303 C6 G A 10 0.058 4.049 2.610 1.00 0.00 C ATOM 304 O6 G A 10 0.774 3.895 1.624 1.00 0.00 O ATOM 305 N1 G A 10 -1.249 4.466 2.450 1.00 0.00 N ATOM 306 C2 G A 10 -2.139 4.683 3.471 1.00 0.00 C ATOM 307 N2 G A 10 -3.354 5.085 3.133 1.00 0.00 N ATOM 308 N3 G A 10 -1.849 4.517 4.759 1.00 0.00 N ATOM 309 C4 G A 10 -0.571 4.107 4.938 1.00 0.00 C ATOM 0 H5' G A 10 2.660 3.993 10.055 1.00 0.00 H new ATOM 0 H5'' G A 10 2.720 2.291 9.641 1.00 0.00 H new ATOM 0 H4' G A 10 0.485 3.241 10.246 1.00 0.00 H new ATOM 0 H3' G A 10 0.925 1.578 7.756 1.00 0.00 H new ATOM 0 H2' G A 10 -1.498 1.924 7.170 1.00 0.00 H new ATOM 0 HO2' G A 10 -2.910 2.857 8.554 1.00 0.00 H new ATOM 0 H1' G A 10 -1.449 4.604 7.408 1.00 0.00 H new ATOM 0 H8 G A 10 2.038 3.189 6.598 1.00 0.00 H new ATOM 0 H1 G A 10 -1.578 4.625 1.498 1.00 0.00 H new ATOM 0 H21 G A 10 -4.053 5.260 3.855 1.00 0.00 H new ATOM 0 H22 G A 10 -3.592 5.220 2.150 1.00 0.00 H new ATOM 321 P G A 11 -0.281 -0.509 9.079 1.00 0.00 P ATOM 322 OP1 G A 11 -0.514 -1.291 10.314 1.00 0.00 O ATOM 323 OP2 G A 11 0.809 -0.899 8.156 1.00 0.00 O ATOM 324 O5' G A 11 -1.659 -0.466 8.240 1.00 0.00 O ATOM 325 C5' G A 11 -2.888 -0.085 8.872 1.00 0.00 C ATOM 326 C4' G A 11 -3.970 0.271 7.854 1.00 0.00 C ATOM 327 O4' G A 11 -3.495 1.308 6.988 1.00 0.00 O ATOM 328 C3' G A 11 -4.340 -0.841 6.891 1.00 0.00 C ATOM 329 O3' G A 11 -5.365 -1.628 7.514 1.00 0.00 O ATOM 330 C2' G A 11 -4.988 -0.061 5.758 1.00 0.00 C ATOM 331 O2' G A 11 -6.315 0.341 6.114 1.00 0.00 O ATOM 332 C1' G A 11 -4.061 1.155 5.669 1.00 0.00 C ATOM 333 N9 G A 11 -2.967 0.965 4.695 1.00 0.00 N ATOM 334 C8 G A 11 -1.659 0.620 4.927 1.00 0.00 C ATOM 335 N7 G A 11 -0.938 0.544 3.844 1.00 0.00 N ATOM 336 C5 G A 11 -1.830 0.858 2.824 1.00 0.00 C ATOM 337 C6 G A 11 -1.620 0.937 1.421 1.00 0.00 C ATOM 338 O6 G A 11 -0.582 0.751 0.791 1.00 0.00 O ATOM 339 N1 G A 11 -2.778 1.281 0.750 1.00 0.00 N ATOM 340 C2 G A 11 -3.989 1.523 1.347 1.00 0.00 C ATOM 341 N2 G A 11 -4.999 1.846 0.552 1.00 0.00 N ATOM 342 N3 G A 11 -4.202 1.455 2.659 1.00 0.00 N ATOM 343 C4 G A 11 -3.077 1.117 3.335 1.00 0.00 C ATOM 0 H5' G A 11 -2.710 0.769 9.525 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.239 -0.901 9.503 1.00 0.00 H new ATOM 0 H4' G A 11 -4.829 0.532 8.472 1.00 0.00 H new ATOM 0 H3' G A 11 -3.513 -1.485 6.592 1.00 0.00 H new ATOM 0 H2' G A 11 -5.092 -0.619 4.828 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.617 -0.176 6.890 1.00 0.00 H new ATOM 0 H1' G A 11 -4.624 2.027 5.335 1.00 0.00 H new ATOM 0 H8 G A 11 -1.264 0.429 5.914 1.00 0.00 H new ATOM 0 H1 G A 11 -2.729 1.361 -0.266 1.00 0.00 H new ATOM 0 H21 G A 11 -5.920 2.035 0.948 1.00 0.00 H new ATOM 0 H22 G A 11 -4.856 1.905 -0.456 1.00 0.00 H new ATOM 355 P U A 12 -5.346 -3.235 7.408 1.00 0.00 P ATOM 356 OP1 U A 12 -6.582 -3.757 8.034 1.00 0.00 O ATOM 357 OP2 U A 12 -4.024 -3.716 7.871 1.00 0.00 O ATOM 358 O5' U A 12 -5.439 -3.483 5.820 1.00 0.00 O ATOM 359 C5' U A 12 -6.661 -3.258 5.106 1.00 0.00 C ATOM 360 C4' U A 12 -6.424 -3.185 3.602 1.00 0.00 C ATOM 361 O4' U A 12 -5.545 -2.090 3.316 1.00 0.00 O ATOM 362 C3' U A 12 -5.708 -4.388 3.016 1.00 0.00 C ATOM 363 O3' U A 12 -6.714 -5.330 2.618 1.00 0.00 O ATOM 364 C2' U A 12 -5.087 -3.810 1.756 1.00 0.00 C ATOM 365 O2' U A 12 -6.067 -3.676 0.722 1.00 0.00 O ATOM 366 C1' U A 12 -4.634 -2.436 2.257 1.00 0.00 C ATOM 367 N1 U A 12 -3.262 -2.460 2.806 1.00 0.00 N ATOM 368 C2 U A 12 -2.217 -2.242 1.929 1.00 0.00 C ATOM 369 O2 U A 12 -2.393 -2.046 0.729 1.00 0.00 O ATOM 370 N3 U A 12 -0.954 -2.270 2.474 1.00 0.00 N ATOM 371 C4 U A 12 -0.645 -2.492 3.799 1.00 0.00 C ATOM 372 O4 U A 12 0.526 -2.502 4.159 1.00 0.00 O ATOM 373 C5 U A 12 -1.785 -2.710 4.656 1.00 0.00 C ATOM 374 C6 U A 12 -3.036 -2.687 4.139 1.00 0.00 C ATOM 0 H5' U A 12 -7.118 -2.330 5.449 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.365 -4.060 5.326 1.00 0.00 H new ATOM 0 H4' U A 12 -7.422 -3.103 3.172 1.00 0.00 H new ATOM 0 H3' U A 12 -4.996 -4.869 3.687 1.00 0.00 H new ATOM 0 H2' U A 12 -4.292 -4.418 1.324 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.819 -4.277 0.904 1.00 0.00 H new ATOM 0 H1' U A 12 -4.633 -1.724 1.432 1.00 0.00 H new ATOM 0 H3 U A 12 -0.173 -2.112 1.838 1.00 0.00 H new ATOM 0 H5 U A 12 -1.640 -2.892 5.711 1.00 0.00 H new ATOM 0 H6 U A 12 -3.879 -2.852 4.794 1.00 0.00 H new ATOM 385 P C A 13 -6.733 -6.819 3.235 1.00 0.00 P ATOM 386 OP1 C A 13 -8.140 -7.272 3.307 1.00 0.00 O ATOM 387 OP2 C A 13 -5.888 -6.831 4.451 1.00 0.00 O ATOM 388 O5' C A 13 -5.979 -7.676 2.096 1.00 0.00 O ATOM 389 C5' C A 13 -6.681 -8.133 0.934 1.00 0.00 C ATOM 390 C4' C A 13 -5.724 -8.466 -0.207 1.00 0.00 C ATOM 391 O4' C A 13 -4.978 -7.294 -0.558 1.00 0.00 O ATOM 392 C3' C A 13 -4.655 -9.485 0.135 1.00 0.00 C ATOM 393 O3' C A 13 -5.189 -10.782 -0.165 1.00 0.00 O ATOM 394 C2' C A 13 -3.583 -9.175 -0.899 1.00 0.00 C ATOM 395 O2' C A 13 -3.938 -9.710 -2.177 1.00 0.00 O ATOM 396 C1' C A 13 -3.630 -7.645 -0.921 1.00 0.00 C ATOM 397 N1 C A 13 -2.702 -7.034 0.056 1.00 0.00 N ATOM 398 C2 C A 13 -1.422 -6.723 -0.378 1.00 0.00 C ATOM 399 O2 C A 13 -1.078 -6.970 -1.530 1.00 0.00 O ATOM 400 N3 C A 13 -0.556 -6.146 0.497 1.00 0.00 N ATOM 401 C4 C A 13 -0.930 -5.883 1.752 1.00 0.00 C ATOM 402 N4 C A 13 -0.035 -5.319 2.556 1.00 0.00 N ATOM 403 C5 C A 13 -2.247 -6.201 2.212 1.00 0.00 C ATOM 404 C6 C A 13 -3.095 -6.771 1.336 1.00 0.00 C ATOM 0 H5' C A 13 -7.384 -7.366 0.608 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.268 -9.016 1.187 1.00 0.00 H new ATOM 0 H4' C A 13 -6.370 -8.859 -0.993 1.00 0.00 H new ATOM 0 H3' C A 13 -4.309 -9.459 1.168 1.00 0.00 H new ATOM 0 H2' C A 13 -2.603 -9.595 -0.672 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.647 -10.377 -2.067 1.00 0.00 H new ATOM 0 H1' C A 13 -3.334 -7.281 -1.905 1.00 0.00 H new ATOM 0 H41 C A 13 -0.282 -5.102 3.522 1.00 0.00 H new ATOM 0 H42 C A 13 0.899 -5.103 2.207 1.00 0.00 H new ATOM 0 H5 C A 13 -2.550 -5.991 3.227 1.00 0.00 H new ATOM 0 H6 C A 13 -4.097 -7.023 1.650 1.00 0.00 H new ATOM 416 P C A 14 -5.241 -11.937 0.959 1.00 0.00 P ATOM 417 OP1 C A 14 -6.452 -12.755 0.730 1.00 0.00 O ATOM 418 OP2 C A 14 -5.008 -11.312 2.281 1.00 0.00 O ATOM 419 O5' C A 14 -3.949 -12.835 0.599 1.00 0.00 O ATOM 420 C5' C A 14 -3.807 -13.443 -0.693 1.00 0.00 C ATOM 421 C4' C A 14 -2.404 -13.237 -1.253 1.00 0.00 C ATOM 422 O4' C A 14 -2.122 -11.835 -1.320 1.00 0.00 O ATOM 423 C3' C A 14 -1.284 -13.793 -0.388 1.00 0.00 C ATOM 424 O3' C A 14 -1.093 -15.192 -0.632 1.00 0.00 O ATOM 425 C2' C A 14 -0.101 -12.983 -0.899 1.00 0.00 C ATOM 426 O2' C A 14 0.345 -13.481 -2.165 1.00 0.00 O ATOM 427 C1' C A 14 -0.729 -11.595 -1.055 1.00 0.00 C ATOM 428 N1 C A 14 -0.615 -10.774 0.170 1.00 0.00 N ATOM 429 C2 C A 14 0.382 -9.809 0.211 1.00 0.00 C ATOM 430 O2 C A 14 1.142 -9.657 -0.743 1.00 0.00 O ATOM 431 N3 C A 14 0.503 -9.040 1.325 1.00 0.00 N ATOM 432 C4 C A 14 -0.322 -9.207 2.363 1.00 0.00 C ATOM 433 N4 C A 14 -0.147 -8.425 3.423 1.00 0.00 N ATOM 434 C5 C A 14 -1.354 -10.197 2.331 1.00 0.00 C ATOM 435 C6 C A 14 -1.464 -10.953 1.224 1.00 0.00 C ATOM 0 H5' C A 14 -4.540 -13.019 -1.379 1.00 0.00 H new ATOM 0 H5'' C A 14 -4.018 -14.510 -0.620 1.00 0.00 H new ATOM 0 H4' C A 14 -2.418 -13.753 -2.213 1.00 0.00 H new ATOM 0 H3' C A 14 -1.458 -13.715 0.685 1.00 0.00 H new ATOM 0 H2' C A 14 0.774 -13.009 -0.249 1.00 0.00 H new ATOM 0 HO2' C A 14 -0.022 -14.378 -2.312 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.367 -15.527 -0.066 1.00 0.00 H new ATOM 0 H1' C A 14 -0.218 -11.046 -1.846 1.00 0.00 H new ATOM 0 H41 C A 14 -0.757 -8.522 4.235 1.00 0.00 H new ATOM 0 H42 C A 14 0.597 -7.727 3.425 1.00 0.00 H new ATOM 0 H5 C A 14 -2.023 -10.333 3.168 1.00 0.00 H new ATOM 0 H6 C A 14 -2.232 -11.710 1.168 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 3.934 -0.902 2.501 1.00 0.00 CO HETATM 450 N1 NCO A 15 3.276 -2.742 2.858 1.00 0.00 N HETATM 451 N2 NCO A 15 4.593 0.938 2.145 1.00 0.00 N HETATM 452 N3 NCO A 15 4.028 -0.557 4.455 1.00 0.00 N HETATM 453 N4 NCO A 15 3.839 -1.247 0.547 1.00 0.00 N HETATM 454 N5 NCO A 15 2.062 -0.236 2.475 1.00 0.00 N HETATM 455 N6 NCO A 15 5.806 -1.568 2.527 1.00 0.00 N