USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 186 hydrogens (21 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 PSU O2' : rot -126:sc= 0.0779 USER MOD Single : A 2 C O2' : rot -25:sc= 0.0634 USER MOD Single : A 3 G O2' : rot -22:sc= 0.104 USER MOD Single : A 4 G O2' : rot -19:sc= 0.0939 USER MOD Single : A 5 G O2' : rot -20:sc= 0.0531 USER MOD Single : A 6 C O2' : rot 180:sc= -0.172 USER MOD Single : A 7 C O2' : rot -115:sc= 1.26 USER MOD Single : A 8 RSQ O2' : rot -140:sc= 0.135 USER MOD Single : A 9 A O2' : rot -19:sc= 0.0966 USER MOD Single : A 10 U O2' : rot 180:sc= -1.58! USER MOD Single : A 11 A O2' : rot -19:sc= 0.0629 USER MOD Single : A 12 C O2' : rot -27:sc= 0.11 USER MOD Single : A 13 C O2' : rot -22:sc= 0.0114 USER MOD Single : A 14 C O2' : rot -17:sc= 0.0663 USER MOD Single : A 15 C O2' : rot -122:sc= 0.0142 USER MOD Single : A 16 G O2' : rot -18:sc= 0.0988 USER MOD Single : A 17 A O2' : rot -19:sc= 0.095 USER MOD Single : A 17 A O3' : rot 180:sc= 0.11 USER MOD ----------------------------------------------------------------- HETATM 1 N1 PSU A 1 -9.875 3.325 8.601 1.00 0.00 N HETATM 2 C2 PSU A 1 -9.405 4.620 8.631 1.00 0.00 C HETATM 3 N3 PSU A 1 -10.253 5.555 8.100 1.00 0.00 N HETATM 4 C4 PSU A 1 -11.497 5.334 7.558 1.00 0.00 C HETATM 5 C5 PSU A 1 -11.918 3.966 7.567 1.00 0.00 C HETATM 6 C6 PSU A 1 -11.112 3.026 8.077 1.00 0.00 C HETATM 7 O2 PSU A 1 -8.324 4.919 9.102 1.00 0.00 O HETATM 8 O4 PSU A 1 -12.139 6.287 7.119 1.00 0.00 O HETATM 9 C1' PSU A 1 -13.234 3.647 7.011 1.00 0.00 C HETATM 10 C2' PSU A 1 -13.234 3.471 5.492 1.00 0.00 C HETATM 11 O2' PSU A 1 -14.489 3.891 4.990 1.00 0.00 O HETATM 12 C3' PSU A 1 -13.062 1.962 5.367 1.00 0.00 C HETATM 13 C4' PSU A 1 -13.870 1.436 6.544 1.00 0.00 C HETATM 14 O3' PSU A 1 -13.553 1.456 4.129 1.00 0.00 O HETATM 15 O4' PSU A 1 -13.679 2.431 7.586 1.00 0.00 O HETATM 16 C5' PSU A 1 -13.443 0.085 7.070 1.00 0.00 C HETATM 17 O5' PSU A 1 -12.025 -0.084 6.954 1.00 0.00 O HETATM 0 HO2' PSU A 1 -14.879 3.176 4.445 1.00 0.00 H new HETATM 0 H5'' PSU A 1 -13.741 -0.014 8.114 1.00 0.00 H new HETATM 0 HN3 PSU A 1 -9.926 6.521 8.107 1.00 0.00 H new HETATM 0 HN1 PSU A 1 -9.295 2.574 8.974 1.00 0.00 H new HETATM 0 H6 PSU A 1 -11.447 1.989 8.077 1.00 0.00 H new HETATM 0 H5' PSU A 1 -13.954 -0.703 6.517 1.00 0.00 H new HETATM 0 H4' PSU A 1 -14.902 1.287 6.226 1.00 0.00 H new HETATM 0 H3' PSU A 1 -12.016 1.656 5.381 1.00 0.00 H new HETATM 0 H2' PSU A 1 -12.478 4.036 4.948 1.00 0.00 H new HETATM 0 H1' PSU A 1 -13.886 4.489 7.243 1.00 0.00 H new ATOM 28 P C A 2 -12.522 0.909 3.021 1.00 0.00 P ATOM 29 OP1 C A 2 -13.330 0.258 1.958 1.00 0.00 O ATOM 30 OP2 C A 2 -11.457 0.133 3.709 1.00 0.00 O ATOM 31 O5' C A 2 -11.869 2.231 2.415 1.00 0.00 O ATOM 32 C5' C A 2 -12.474 2.910 1.315 1.00 0.00 C ATOM 33 C4' C A 2 -11.874 4.289 1.151 1.00 0.00 C ATOM 34 O4' C A 2 -11.722 4.908 2.456 1.00 0.00 O ATOM 35 C3' C A 2 -10.470 4.338 0.564 1.00 0.00 C ATOM 36 O3' C A 2 -10.484 4.239 -0.860 1.00 0.00 O ATOM 37 C2' C A 2 -9.969 5.693 1.051 1.00 0.00 C ATOM 38 O2' C A 2 -10.506 6.750 0.278 1.00 0.00 O ATOM 39 C1' C A 2 -10.581 5.750 2.451 1.00 0.00 C ATOM 40 N1 C A 2 -9.656 5.297 3.502 1.00 0.00 N ATOM 41 C2 C A 2 -8.730 6.206 4.021 1.00 0.00 C ATOM 42 O2 C A 2 -8.718 7.367 3.584 1.00 0.00 O ATOM 43 N3 C A 2 -7.872 5.800 4.982 1.00 0.00 N ATOM 44 C4 C A 2 -7.913 4.542 5.424 1.00 0.00 C ATOM 45 N4 C A 2 -7.042 4.188 6.369 1.00 0.00 N ATOM 46 C5 C A 2 -8.848 3.594 4.917 1.00 0.00 C ATOM 47 C6 C A 2 -9.693 4.011 3.964 1.00 0.00 C ATOM 0 H5' C A 2 -13.549 2.991 1.476 1.00 0.00 H new ATOM 0 H5'' C A 2 -12.332 2.334 0.401 1.00 0.00 H new ATOM 0 H4' C A 2 -12.565 4.786 0.470 1.00 0.00 H new ATOM 0 H3' C A 2 -9.834 3.508 0.872 1.00 0.00 H new ATOM 0 H2' C A 2 -8.885 5.795 1.002 1.00 0.00 H new ATOM 0 HO2' C A 2 -10.742 6.417 -0.613 1.00 0.00 H new ATOM 0 H1' C A 2 -10.829 6.789 2.670 1.00 0.00 H new ATOM 0 H41 C A 2 -7.043 3.235 6.732 1.00 0.00 H new ATOM 0 H42 C A 2 -6.375 4.870 6.729 1.00 0.00 H new ATOM 0 H5 C A 2 -8.875 2.579 5.286 1.00 0.00 H new ATOM 0 H6 C A 2 -10.415 3.320 3.554 1.00 0.00 H new ATOM 59 P G A 3 -9.273 3.507 -1.633 1.00 0.00 P ATOM 60 OP1 G A 3 -9.798 3.020 -2.933 1.00 0.00 O ATOM 61 OP2 G A 3 -8.624 2.548 -0.703 1.00 0.00 O ATOM 62 O5' G A 3 -8.231 4.677 -1.926 1.00 0.00 O ATOM 63 C5' G A 3 -8.412 5.574 -3.023 1.00 0.00 C ATOM 64 C4' G A 3 -7.298 6.599 -3.050 1.00 0.00 C ATOM 65 O4' G A 3 -7.176 7.193 -1.728 1.00 0.00 O ATOM 66 C3' G A 3 -5.911 6.051 -3.367 1.00 0.00 C ATOM 67 O3' G A 3 -5.670 6.038 -4.773 1.00 0.00 O ATOM 68 C2' G A 3 -4.989 7.017 -2.630 1.00 0.00 C ATOM 69 O2' G A 3 -4.820 8.221 -3.354 1.00 0.00 O ATOM 70 C1' G A 3 -5.809 7.316 -1.377 1.00 0.00 C ATOM 71 N9 G A 3 -5.540 6.417 -0.259 1.00 0.00 N ATOM 72 C8 G A 3 -6.376 5.448 0.240 1.00 0.00 C ATOM 73 N7 G A 3 -5.874 4.806 1.257 1.00 0.00 N ATOM 74 C5 G A 3 -4.625 5.382 1.441 1.00 0.00 C ATOM 75 C6 G A 3 -3.619 5.100 2.396 1.00 0.00 C ATOM 76 O6 G A 3 -3.632 4.261 3.303 1.00 0.00 O ATOM 77 N1 G A 3 -2.508 5.916 2.224 1.00 0.00 N ATOM 78 C2 G A 3 -2.381 6.883 1.259 1.00 0.00 C ATOM 79 N2 G A 3 -1.229 7.563 1.254 1.00 0.00 N ATOM 80 N3 G A 3 -3.313 7.161 0.363 1.00 0.00 N ATOM 81 C4 G A 3 -4.401 6.376 0.511 1.00 0.00 C ATOM 0 H5' G A 3 -9.376 6.076 -2.937 1.00 0.00 H new ATOM 0 H5'' G A 3 -8.426 5.017 -3.960 1.00 0.00 H new ATOM 0 H4' G A 3 -7.582 7.291 -3.842 1.00 0.00 H new ATOM 0 H3' G A 3 -5.768 5.016 -3.057 1.00 0.00 H new ATOM 0 H2' G A 3 -3.991 6.613 -2.460 1.00 0.00 H new ATOM 0 HO2' G A 3 -5.030 8.067 -4.299 1.00 0.00 H new ATOM 0 H1' G A 3 -5.538 8.317 -1.040 1.00 0.00 H new ATOM 0 H8 G A 3 -7.353 5.239 -0.170 1.00 0.00 H new ATOM 0 H1 G A 3 -1.725 5.786 2.865 1.00 0.00 H new ATOM 0 H21 G A 3 -1.072 8.295 0.562 1.00 0.00 H new ATOM 0 H22 G A 3 -0.508 7.349 1.943 1.00 0.00 H new ATOM 93 P G A 4 -4.828 4.837 -5.437 1.00 0.00 P ATOM 94 OP1 G A 4 -4.846 5.034 -6.909 1.00 0.00 O ATOM 95 OP2 G A 4 -5.322 3.558 -4.864 1.00 0.00 O ATOM 96 O5' G A 4 -3.337 5.070 -4.921 1.00 0.00 O ATOM 97 C5' G A 4 -2.525 6.107 -5.472 1.00 0.00 C ATOM 98 C4' G A 4 -1.407 6.466 -4.517 1.00 0.00 C ATOM 99 O4' G A 4 -1.930 6.517 -3.162 1.00 0.00 O ATOM 100 C3' G A 4 -0.259 5.471 -4.420 1.00 0.00 C ATOM 101 O3' G A 4 0.681 5.634 -5.481 1.00 0.00 O ATOM 102 C2' G A 4 0.340 5.811 -3.061 1.00 0.00 C ATOM 103 O2' G A 4 1.134 6.981 -3.130 1.00 0.00 O ATOM 104 C1' G A 4 -0.920 6.118 -2.250 1.00 0.00 C ATOM 105 N9 G A 4 -1.406 4.973 -1.485 1.00 0.00 N ATOM 106 C8 G A 4 -2.575 4.276 -1.674 1.00 0.00 C ATOM 107 N7 G A 4 -2.730 3.294 -0.829 1.00 0.00 N ATOM 108 C5 G A 4 -1.593 3.343 -0.034 1.00 0.00 C ATOM 109 C6 G A 4 -1.195 2.527 1.056 1.00 0.00 C ATOM 110 O6 G A 4 -1.788 1.565 1.559 1.00 0.00 O ATOM 111 N1 G A 4 0.033 2.926 1.570 1.00 0.00 N ATOM 112 C2 G A 4 0.781 3.975 1.102 1.00 0.00 C ATOM 113 N2 G A 4 1.940 4.200 1.730 1.00 0.00 N ATOM 114 N3 G A 4 0.422 4.747 0.093 1.00 0.00 N ATOM 115 C4 G A 4 -0.767 4.375 -0.426 1.00 0.00 C ATOM 0 H5' G A 4 -3.136 6.987 -5.674 1.00 0.00 H new ATOM 0 H5'' G A 4 -2.107 5.783 -6.425 1.00 0.00 H new ATOM 0 H4' G A 4 -1.029 7.406 -4.918 1.00 0.00 H new ATOM 0 H3' G A 4 -0.572 4.431 -4.509 1.00 0.00 H new ATOM 0 H2' G A 4 0.981 5.026 -2.660 1.00 0.00 H new ATOM 0 HO2' G A 4 1.386 7.151 -4.062 1.00 0.00 H new ATOM 0 H1' G A 4 -0.675 6.898 -1.530 1.00 0.00 H new ATOM 0 H8 G A 4 -3.293 4.517 -2.444 1.00 0.00 H new ATOM 0 H1 G A 4 0.407 2.397 2.357 1.00 0.00 H new ATOM 0 H21 G A 4 2.543 4.966 1.429 1.00 0.00 H new ATOM 0 H22 G A 4 2.221 3.606 2.510 1.00 0.00 H new ATOM 127 P G A 5 1.732 4.458 -5.811 1.00 0.00 P ATOM 128 OP1 G A 5 2.425 4.834 -7.069 1.00 0.00 O ATOM 129 OP2 G A 5 1.033 3.151 -5.726 1.00 0.00 O ATOM 130 O5' G A 5 2.791 4.531 -4.621 1.00 0.00 O ATOM 131 C5' G A 5 3.936 5.381 -4.701 1.00 0.00 C ATOM 132 C4' G A 5 4.884 5.098 -3.554 1.00 0.00 C ATOM 133 O4' G A 5 4.119 4.948 -2.322 1.00 0.00 O ATOM 134 C3' G A 5 5.686 3.806 -3.657 1.00 0.00 C ATOM 135 O3' G A 5 6.871 3.971 -4.431 1.00 0.00 O ATOM 136 C2' G A 5 5.983 3.498 -2.196 1.00 0.00 C ATOM 137 O2' G A 5 6.996 4.343 -1.682 1.00 0.00 O ATOM 138 C1' G A 5 4.652 3.880 -1.555 1.00 0.00 C ATOM 139 N9 G A 5 3.682 2.790 -1.543 1.00 0.00 N ATOM 140 C8 G A 5 2.543 2.689 -2.305 1.00 0.00 C ATOM 141 N7 G A 5 1.865 1.597 -2.079 1.00 0.00 N ATOM 142 C5 G A 5 2.604 0.930 -1.110 1.00 0.00 C ATOM 143 C6 G A 5 2.369 -0.314 -0.474 1.00 0.00 C ATOM 144 O6 G A 5 1.435 -1.103 -0.647 1.00 0.00 O ATOM 145 N1 G A 5 3.367 -0.615 0.448 1.00 0.00 N ATOM 146 C2 G A 5 4.456 0.176 0.716 1.00 0.00 C ATOM 147 N2 G A 5 5.310 -0.291 1.634 1.00 0.00 N ATOM 148 N3 G A 5 4.691 1.338 0.128 1.00 0.00 N ATOM 149 C4 G A 5 3.729 1.653 -0.767 1.00 0.00 C ATOM 0 H5' G A 5 3.624 6.425 -4.675 1.00 0.00 H new ATOM 0 H5'' G A 5 4.447 5.225 -5.651 1.00 0.00 H new ATOM 0 H4' G A 5 5.574 5.942 -3.576 1.00 0.00 H new ATOM 0 H3' G A 5 5.157 3.002 -4.169 1.00 0.00 H new ATOM 0 H2' G A 5 6.325 2.477 -2.024 1.00 0.00 H new ATOM 0 HO2' G A 5 7.517 4.717 -2.423 1.00 0.00 H new ATOM 0 H1' G A 5 4.836 4.147 -0.514 1.00 0.00 H new ATOM 0 H8 G A 5 2.239 3.439 -3.020 1.00 0.00 H new ATOM 0 H1 G A 5 3.283 -1.491 0.964 1.00 0.00 H new ATOM 0 H21 G A 5 6.140 0.249 1.880 1.00 0.00 H new ATOM 0 H22 G A 5 5.131 -1.187 2.088 1.00 0.00 H new ATOM 161 P C A 6 7.431 2.740 -5.303 1.00 0.00 P ATOM 162 OP1 C A 6 8.829 3.069 -5.684 1.00 0.00 O ATOM 163 OP2 C A 6 6.436 2.432 -6.362 1.00 0.00 O ATOM 164 O5' C A 6 7.463 1.520 -4.277 1.00 0.00 O ATOM 165 C5' C A 6 8.492 1.412 -3.294 1.00 0.00 C ATOM 166 C4' C A 6 8.485 0.031 -2.682 1.00 0.00 C ATOM 167 O4' C A 6 7.299 -0.127 -1.853 1.00 0.00 O ATOM 168 C3' C A 6 8.394 -1.121 -3.671 1.00 0.00 C ATOM 169 O3' C A 6 9.667 -1.443 -4.225 1.00 0.00 O ATOM 170 C2' C A 6 7.823 -2.234 -2.804 1.00 0.00 C ATOM 171 O2' C A 6 8.805 -2.771 -1.936 1.00 0.00 O ATOM 172 C1' C A 6 6.807 -1.454 -1.971 1.00 0.00 C ATOM 173 N1 C A 6 5.462 -1.404 -2.570 1.00 0.00 N ATOM 174 C2 C A 6 4.722 -2.587 -2.678 1.00 0.00 C ATOM 175 O2 C A 6 5.205 -3.641 -2.237 1.00 0.00 O ATOM 176 N3 C A 6 3.501 -2.550 -3.257 1.00 0.00 N ATOM 177 C4 C A 6 3.013 -1.393 -3.709 1.00 0.00 C ATOM 178 N4 C A 6 1.812 -1.404 -4.285 1.00 0.00 N ATOM 179 C5 C A 6 3.736 -0.173 -3.593 1.00 0.00 C ATOM 180 C6 C A 6 4.942 -0.224 -3.022 1.00 0.00 C ATOM 0 H5' C A 6 8.344 2.163 -2.518 1.00 0.00 H new ATOM 0 H5'' C A 6 9.462 1.611 -3.749 1.00 0.00 H new ATOM 0 H4' C A 6 9.436 -0.022 -2.151 1.00 0.00 H new ATOM 0 H3' C A 6 7.784 -0.910 -4.549 1.00 0.00 H new ATOM 0 H2' C A 6 7.430 -3.074 -3.377 1.00 0.00 H new ATOM 0 HO2' C A 6 8.407 -3.482 -1.392 1.00 0.00 H new ATOM 0 H1' C A 6 6.698 -1.960 -1.012 1.00 0.00 H new ATOM 0 H41 C A 6 1.409 -0.537 -4.641 1.00 0.00 H new ATOM 0 H42 C A 6 1.295 -2.279 -4.370 1.00 0.00 H new ATOM 0 H5 C A 6 3.325 0.759 -3.953 1.00 0.00 H new ATOM 0 H6 C A 6 5.517 0.684 -2.915 1.00 0.00 H new ATOM 192 P C A 7 9.793 -1.806 -5.788 1.00 0.00 P ATOM 193 OP1 C A 7 11.242 -1.894 -6.100 1.00 0.00 O ATOM 194 OP2 C A 7 8.930 -0.880 -6.568 1.00 0.00 O ATOM 195 O5' C A 7 9.173 -3.270 -5.896 1.00 0.00 O ATOM 196 C5' C A 7 9.486 -4.271 -4.931 1.00 0.00 C ATOM 197 C4' C A 7 8.371 -5.288 -4.854 1.00 0.00 C ATOM 198 O4' C A 7 7.118 -4.611 -4.549 1.00 0.00 O ATOM 199 C3' C A 7 8.094 -6.040 -6.149 1.00 0.00 C ATOM 200 O3' C A 7 8.940 -7.180 -6.296 1.00 0.00 O ATOM 201 C2' C A 7 6.631 -6.427 -5.994 1.00 0.00 C ATOM 202 O2' C A 7 6.481 -7.521 -5.110 1.00 0.00 O ATOM 203 C1' C A 7 6.065 -5.184 -5.308 1.00 0.00 C ATOM 204 N1 C A 7 5.541 -4.152 -6.224 1.00 0.00 N ATOM 205 C2 C A 7 4.616 -4.522 -7.209 1.00 0.00 C ATOM 206 O2 C A 7 4.257 -5.707 -7.286 1.00 0.00 O ATOM 207 N3 C A 7 4.136 -3.577 -8.049 1.00 0.00 N ATOM 208 C4 C A 7 4.540 -2.311 -7.930 1.00 0.00 C ATOM 209 N4 C A 7 4.037 -1.415 -8.779 1.00 0.00 N ATOM 210 C5 C A 7 5.477 -1.907 -6.936 1.00 0.00 C ATOM 211 C6 C A 7 5.947 -2.851 -6.114 1.00 0.00 C ATOM 0 H5' C A 7 9.636 -3.811 -3.954 1.00 0.00 H new ATOM 0 H5'' C A 7 10.420 -4.764 -5.198 1.00 0.00 H new ATOM 0 H4' C A 7 8.705 -5.995 -4.095 1.00 0.00 H new ATOM 0 H3' C A 7 8.291 -5.450 -7.044 1.00 0.00 H new ATOM 0 H2' C A 7 6.161 -6.712 -6.935 1.00 0.00 H new ATOM 0 HO2' C A 7 6.126 -8.292 -5.600 1.00 0.00 H new ATOM 0 H1' C A 7 5.215 -5.509 -4.708 1.00 0.00 H new ATOM 0 H41 C A 7 4.323 -0.438 -8.718 1.00 0.00 H new ATOM 0 H42 C A 7 3.366 -1.707 -9.490 1.00 0.00 H new ATOM 0 H5 C A 7 5.795 -0.879 -6.850 1.00 0.00 H new ATOM 0 H6 C A 7 6.660 -2.581 -5.349 1.00 0.00 H new HETATM 223 P RSQ A 8 9.648 -7.480 -7.711 1.00 0.00 P HETATM 224 N1 RSQ A 8 7.382 -12.776 -7.644 1.00 0.00 N HETATM 225 C2 RSQ A 8 6.397 -13.732 -7.392 1.00 0.00 C HETATM 226 O2 RSQ A 8 5.882 -14.329 -8.347 1.00 0.00 O HETATM 227 N3 RSQ A 8 6.031 -13.981 -6.117 1.00 0.00 N HETATM 228 C4 RSQ A 8 6.613 -13.324 -5.117 1.00 0.00 C HETATM 229 N4 RSQ A 8 6.217 -13.608 -3.883 1.00 0.00 N HETATM 230 C5 RSQ A 8 7.628 -12.347 -5.338 1.00 0.00 C HETATM 231 C6 RSQ A 8 7.972 -12.105 -6.611 1.00 0.00 C HETATM 232 C1' RSQ A 8 7.779 -12.514 -9.037 1.00 0.00 C HETATM 233 C10 RSQ A 8 8.307 -11.616 -4.281 1.00 0.00 C HETATM 234 C2' RSQ A 8 6.839 -11.564 -9.779 1.00 0.00 C HETATM 235 O2' RSQ A 8 6.746 -11.989 -11.126 1.00 0.00 O HETATM 236 C3' RSQ A 8 7.583 -10.237 -9.670 1.00 0.00 C HETATM 237 O3' RSQ A 8 7.264 -9.358 -10.746 1.00 0.00 O HETATM 238 O30 RSQ A 8 8.110 -11.732 -3.106 1.00 0.00 O HETATM 239 C4' RSQ A 8 9.045 -10.660 -9.713 1.00 0.00 C HETATM 240 O4' RSQ A 8 9.073 -11.938 -9.028 1.00 0.00 O HETATM 241 C5' RSQ A 8 10.019 -9.723 -9.037 1.00 0.00 C HETATM 242 O5' RSQ A 8 9.378 -9.031 -7.963 1.00 0.00 O HETATM 243 OP1 RSQ A 8 8.935 -6.723 -8.771 1.00 0.00 O HETATM 244 OP2 RSQ A 8 11.111 -7.293 -7.537 1.00 0.00 O HETATM 0 HO2' RSQ A 8 6.746 -11.207 -11.717 1.00 0.00 H new HETATM 0 HN4A RSQ A 8 6.638 -13.126 -3.089 1.00 0.00 H new HETATM 0 H5'A RSQ A 8 10.872 -10.286 -8.658 1.00 0.00 H new HETATM 0 HN4 RSQ A 8 5.491 -14.308 -3.729 1.00 0.00 H new HETATM 0 H6 RSQ A 8 8.737 -11.359 -6.826 1.00 0.00 H new HETATM 0 H5' RSQ A 8 10.406 -9.006 -9.761 1.00 0.00 H new HETATM 0 H4' RSQ A 8 9.370 -10.678 -10.753 1.00 0.00 H new HETATM 0 H3' RSQ A 8 7.322 -9.678 -8.771 1.00 0.00 H new HETATM 0 H2' RSQ A 8 5.821 -11.513 -9.392 1.00 0.00 H new HETATM 0 H10 RSQ A 8 9.066 -10.896 -4.587 1.00 0.00 H new HETATM 0 H1' RSQ A 8 7.747 -13.469 -9.562 1.00 0.00 H new ATOM 256 P A A 9 5.973 -8.404 -10.640 1.00 0.00 P ATOM 257 OP1 A A 9 5.560 -8.070 -12.028 1.00 0.00 O ATOM 258 OP2 A A 9 6.286 -7.310 -9.687 1.00 0.00 O ATOM 259 O5' A A 9 4.861 -9.332 -9.974 1.00 0.00 O ATOM 260 C5' A A 9 3.946 -10.094 -10.766 1.00 0.00 C ATOM 261 C4' A A 9 2.575 -10.070 -10.135 1.00 0.00 C ATOM 262 O4' A A 9 2.538 -11.048 -9.057 1.00 0.00 O ATOM 263 C3' A A 9 2.201 -8.743 -9.486 1.00 0.00 C ATOM 264 O3' A A 9 1.538 -7.878 -10.403 1.00 0.00 O ATOM 265 C2' A A 9 1.287 -9.166 -8.338 1.00 0.00 C ATOM 266 O2' A A 9 -0.025 -9.436 -8.795 1.00 0.00 O ATOM 267 C1' A A 9 1.935 -10.480 -7.907 1.00 0.00 C ATOM 268 N9 A A 9 2.967 -10.293 -6.889 1.00 0.00 N ATOM 269 C8 A A 9 4.141 -9.614 -7.057 1.00 0.00 C ATOM 270 N7 A A 9 4.898 -9.592 -5.990 1.00 0.00 N ATOM 271 C5 A A 9 4.163 -10.292 -5.046 1.00 0.00 C ATOM 272 C6 A A 9 4.417 -10.613 -3.705 1.00 0.00 C ATOM 273 N6 A A 9 5.527 -10.259 -3.057 1.00 0.00 N ATOM 274 N1 A A 9 3.481 -11.321 -3.041 1.00 0.00 N ATOM 275 C2 A A 9 2.366 -11.674 -3.690 1.00 0.00 C ATOM 276 N3 A A 9 2.013 -11.433 -4.953 1.00 0.00 N ATOM 277 C4 A A 9 2.968 -10.730 -5.585 1.00 0.00 C ATOM 0 H5' A A 9 4.297 -11.122 -10.854 1.00 0.00 H new ATOM 0 H5'' A A 9 3.898 -9.686 -11.776 1.00 0.00 H new ATOM 0 H4' A A 9 1.880 -10.270 -10.951 1.00 0.00 H new ATOM 0 H3' A A 9 3.066 -8.172 -9.150 1.00 0.00 H new ATOM 0 H2' A A 9 1.193 -8.407 -7.561 1.00 0.00 H new ATOM 0 HO2' A A 9 -0.162 -9.009 -9.667 1.00 0.00 H new ATOM 0 H1' A A 9 1.165 -11.119 -7.475 1.00 0.00 H new ATOM 0 H8 A A 9 4.419 -9.139 -7.986 1.00 0.00 H new ATOM 0 H61 A A 9 5.653 -10.523 -2.080 1.00 0.00 H new ATOM 0 H62 A A 9 6.250 -9.724 -3.538 1.00 0.00 H new ATOM 0 H2 A A 9 1.649 -12.234 -3.108 1.00 0.00 H new ATOM 289 P U A 10 1.386 -6.315 -10.055 1.00 0.00 P ATOM 290 OP1 U A 10 0.449 -5.715 -11.039 1.00 0.00 O ATOM 291 OP2 U A 10 2.758 -5.767 -9.921 1.00 0.00 O ATOM 292 O5' U A 10 0.682 -6.305 -8.624 1.00 0.00 O ATOM 293 C5' U A 10 1.068 -5.371 -7.614 1.00 0.00 C ATOM 294 C4' U A 10 -0.155 -4.725 -6.997 1.00 0.00 C ATOM 295 O4' U A 10 -1.245 -4.790 -7.958 1.00 0.00 O ATOM 296 C3' U A 10 -0.676 -5.385 -5.719 1.00 0.00 C ATOM 297 O3' U A 10 -1.023 -4.405 -4.743 1.00 0.00 O ATOM 298 C2' U A 10 -1.889 -6.184 -6.192 1.00 0.00 C ATOM 299 O2' U A 10 -2.893 -6.246 -5.198 1.00 0.00 O ATOM 300 C1' U A 10 -2.396 -5.308 -7.332 1.00 0.00 C ATOM 301 N1 U A 10 -3.186 -6.033 -8.337 1.00 0.00 N ATOM 302 C2 U A 10 -4.520 -5.691 -8.481 1.00 0.00 C ATOM 303 O2 U A 10 -5.059 -4.826 -7.814 1.00 0.00 O ATOM 304 N3 U A 10 -5.198 -6.402 -9.439 1.00 0.00 N ATOM 305 C4 U A 10 -4.694 -7.394 -10.248 1.00 0.00 C ATOM 306 O4 U A 10 -5.433 -7.940 -11.067 1.00 0.00 O ATOM 307 C5 U A 10 -3.311 -7.691 -10.035 1.00 0.00 C ATOM 308 C6 U A 10 -2.619 -7.021 -9.106 1.00 0.00 C ATOM 0 H5' U A 10 1.713 -4.605 -8.045 1.00 0.00 H new ATOM 0 H5'' U A 10 1.647 -5.879 -6.843 1.00 0.00 H new ATOM 0 H4' U A 10 0.161 -3.715 -6.737 1.00 0.00 H new ATOM 0 H3' U A 10 0.064 -6.018 -5.230 1.00 0.00 H new ATOM 0 H2' U A 10 -1.646 -7.215 -6.451 1.00 0.00 H new ATOM 0 HO2' U A 10 -3.655 -6.763 -5.534 1.00 0.00 H new ATOM 0 H1' U A 10 -3.060 -4.548 -6.919 1.00 0.00 H new ATOM 0 H3 U A 10 -6.183 -6.170 -9.565 1.00 0.00 H new ATOM 0 H5 U A 10 -2.826 -8.455 -10.624 1.00 0.00 H new ATOM 0 H6 U A 10 -1.578 -7.265 -8.955 1.00 0.00 H new ATOM 319 P A A 11 -0.096 -4.205 -3.442 1.00 0.00 P ATOM 320 OP1 A A 11 -0.409 -2.878 -2.856 1.00 0.00 O ATOM 321 OP2 A A 11 1.303 -4.525 -3.825 1.00 0.00 O ATOM 322 O5' A A 11 -0.606 -5.325 -2.430 1.00 0.00 O ATOM 323 C5' A A 11 -1.998 -5.592 -2.272 1.00 0.00 C ATOM 324 C4' A A 11 -2.205 -6.979 -1.712 1.00 0.00 C ATOM 325 O4' A A 11 -1.459 -7.940 -2.521 1.00 0.00 O ATOM 326 C3' A A 11 -1.695 -7.185 -0.290 1.00 0.00 C ATOM 327 O3' A A 11 -2.674 -6.852 0.689 1.00 0.00 O ATOM 328 C2' A A 11 -1.355 -8.667 -0.281 1.00 0.00 C ATOM 329 O2' A A 11 -2.521 -9.467 -0.203 1.00 0.00 O ATOM 330 C1' A A 11 -0.748 -8.820 -1.670 1.00 0.00 C ATOM 331 N9 A A 11 0.674 -8.482 -1.736 1.00 0.00 N ATOM 332 C8 A A 11 1.302 -7.640 -2.620 1.00 0.00 C ATOM 333 N7 A A 11 2.594 -7.536 -2.424 1.00 0.00 N ATOM 334 C5 A A 11 2.835 -8.369 -1.340 1.00 0.00 C ATOM 335 C6 A A 11 4.010 -8.695 -0.639 1.00 0.00 C ATOM 336 N6 A A 11 5.211 -8.197 -0.934 1.00 0.00 N ATOM 337 N1 A A 11 3.906 -9.557 0.394 1.00 0.00 N ATOM 338 C2 A A 11 2.698 -10.048 0.699 1.00 0.00 C ATOM 339 N3 A A 11 1.525 -9.823 0.112 1.00 0.00 N ATOM 340 C4 A A 11 1.663 -8.963 -0.911 1.00 0.00 C ATOM 0 H5' A A 11 -2.504 -5.501 -3.233 1.00 0.00 H new ATOM 0 H5'' A A 11 -2.444 -4.853 -1.606 1.00 0.00 H new ATOM 0 H4' A A 11 -3.286 -7.117 -1.721 1.00 0.00 H new ATOM 0 H3' A A 11 -0.850 -6.544 -0.037 1.00 0.00 H new ATOM 0 H2' A A 11 -0.725 -8.967 0.556 1.00 0.00 H new ATOM 0 HO2' A A 11 -3.266 -8.928 0.136 1.00 0.00 H new ATOM 0 H1' A A 11 -0.826 -9.867 -1.962 1.00 0.00 H new ATOM 0 H8 A A 11 0.780 -7.112 -3.404 1.00 0.00 H new ATOM 0 H61 A A 11 6.026 -8.473 -0.387 1.00 0.00 H new ATOM 0 H62 A A 11 5.315 -7.540 -1.707 1.00 0.00 H new ATOM 0 H2 A A 11 2.672 -10.723 1.542 1.00 0.00 H new ATOM 352 P C A 12 -2.216 -6.185 2.080 1.00 0.00 P ATOM 353 OP1 C A 12 -3.332 -6.364 3.044 1.00 0.00 O ATOM 354 OP2 C A 12 -1.711 -4.818 1.792 1.00 0.00 O ATOM 355 O5' C A 12 -0.982 -7.077 2.557 1.00 0.00 O ATOM 356 C5' C A 12 -1.182 -8.303 3.264 1.00 0.00 C ATOM 357 C4' C A 12 0.000 -8.590 4.164 1.00 0.00 C ATOM 358 O4' C A 12 1.174 -8.851 3.345 1.00 0.00 O ATOM 359 C3' C A 12 0.416 -7.446 5.078 1.00 0.00 C ATOM 360 O3' C A 12 -0.330 -7.451 6.292 1.00 0.00 O ATOM 361 C2' C A 12 1.896 -7.724 5.308 1.00 0.00 C ATOM 362 O2' C A 12 2.082 -8.744 6.273 1.00 0.00 O ATOM 363 C1' C A 12 2.317 -8.259 3.940 1.00 0.00 C ATOM 364 N1 C A 12 2.827 -7.217 3.031 1.00 0.00 N ATOM 365 C2 C A 12 4.115 -6.714 3.240 1.00 0.00 C ATOM 366 O2 C A 12 4.790 -7.160 4.179 1.00 0.00 O ATOM 367 N3 C A 12 4.592 -5.756 2.414 1.00 0.00 N ATOM 368 C4 C A 12 3.836 -5.301 1.414 1.00 0.00 C ATOM 369 N4 C A 12 4.351 -4.357 0.626 1.00 0.00 N ATOM 370 C5 C A 12 2.519 -5.791 1.178 1.00 0.00 C ATOM 371 C6 C A 12 2.059 -6.741 2.004 1.00 0.00 C ATOM 0 H5' C A 12 -1.316 -9.121 2.556 1.00 0.00 H new ATOM 0 H5'' C A 12 -2.094 -8.243 3.858 1.00 0.00 H new ATOM 0 H4' C A 12 -0.329 -9.429 4.777 1.00 0.00 H new ATOM 0 H3' C A 12 0.232 -6.459 4.654 1.00 0.00 H new ATOM 0 H2' C A 12 2.449 -6.855 5.665 1.00 0.00 H new ATOM 0 HO2' C A 12 1.315 -8.762 6.882 1.00 0.00 H new ATOM 0 H1' C A 12 3.131 -8.967 4.096 1.00 0.00 H new ATOM 0 H41 C A 12 3.802 -3.985 -0.149 1.00 0.00 H new ATOM 0 H42 C A 12 5.294 -4.007 0.798 1.00 0.00 H new ATOM 0 H5 C A 12 1.916 -5.412 0.366 1.00 0.00 H new ATOM 0 H6 C A 12 1.065 -7.137 1.856 1.00 0.00 H new ATOM 383 P C A 13 -0.789 -6.059 6.957 1.00 0.00 P ATOM 384 OP1 C A 13 -1.316 -6.372 8.309 1.00 0.00 O ATOM 385 OP2 C A 13 -1.649 -5.337 5.984 1.00 0.00 O ATOM 386 O5' C A 13 0.569 -5.240 7.127 1.00 0.00 O ATOM 387 C5' C A 13 1.587 -5.679 8.025 1.00 0.00 C ATOM 388 C4' C A 13 2.889 -4.969 7.727 1.00 0.00 C ATOM 389 O4' C A 13 3.272 -5.232 6.347 1.00 0.00 O ATOM 390 C3' C A 13 2.841 -3.451 7.826 1.00 0.00 C ATOM 391 O3' C A 13 3.049 -3.010 9.165 1.00 0.00 O ATOM 392 C2' C A 13 3.958 -3.027 6.881 1.00 0.00 C ATOM 393 O2' C A 13 5.235 -3.207 7.467 1.00 0.00 O ATOM 394 C1' C A 13 3.793 -4.051 5.759 1.00 0.00 C ATOM 395 N1 C A 13 2.876 -3.621 4.688 1.00 0.00 N ATOM 396 C2 C A 13 3.355 -2.778 3.676 1.00 0.00 C ATOM 397 O2 C A 13 4.539 -2.409 3.710 1.00 0.00 O ATOM 398 N3 C A 13 2.515 -2.390 2.688 1.00 0.00 N ATOM 399 C4 C A 13 1.248 -2.810 2.688 1.00 0.00 C ATOM 400 N4 C A 13 0.455 -2.411 1.693 1.00 0.00 N ATOM 401 C5 C A 13 0.735 -3.661 3.708 1.00 0.00 C ATOM 402 C6 C A 13 1.575 -4.036 4.678 1.00 0.00 C ATOM 0 H5' C A 13 1.723 -6.757 7.933 1.00 0.00 H new ATOM 0 H5'' C A 13 1.284 -5.482 9.053 1.00 0.00 H new ATOM 0 H4' C A 13 3.579 -5.350 8.479 1.00 0.00 H new ATOM 0 H3' C A 13 1.878 -3.018 7.557 1.00 0.00 H new ATOM 0 H2' C A 13 3.899 -1.979 6.589 1.00 0.00 H new ATOM 0 HO2' C A 13 5.148 -3.219 8.443 1.00 0.00 H new ATOM 0 H1' C A 13 4.768 -4.194 5.292 1.00 0.00 H new ATOM 0 H41 C A 13 -0.518 -2.714 1.664 1.00 0.00 H new ATOM 0 H42 C A 13 0.822 -1.803 0.961 1.00 0.00 H new ATOM 0 H5 C A 13 -0.293 -3.991 3.698 1.00 0.00 H new ATOM 0 H6 C A 13 1.218 -4.679 5.469 1.00 0.00 H new ATOM 414 P C A 14 2.353 -1.653 9.676 1.00 0.00 P ATOM 415 OP1 C A 14 2.856 -1.382 11.047 1.00 0.00 O ATOM 416 OP2 C A 14 0.890 -1.756 9.439 1.00 0.00 O ATOM 417 O5' C A 14 2.937 -0.534 8.704 1.00 0.00 O ATOM 418 C5' C A 14 4.317 -0.180 8.742 1.00 0.00 C ATOM 419 C4' C A 14 4.669 0.679 7.550 1.00 0.00 C ATOM 420 O4' C A 14 4.327 -0.023 6.324 1.00 0.00 O ATOM 421 C3' C A 14 3.913 1.991 7.438 1.00 0.00 C ATOM 422 O3' C A 14 4.489 2.986 8.281 1.00 0.00 O ATOM 423 C2' C A 14 4.050 2.308 5.954 1.00 0.00 C ATOM 424 O2' C A 14 5.338 2.812 5.653 1.00 0.00 O ATOM 425 C1' C A 14 3.909 0.913 5.344 1.00 0.00 C ATOM 426 N1 C A 14 2.530 0.588 4.944 1.00 0.00 N ATOM 427 C2 C A 14 2.072 1.016 3.695 1.00 0.00 C ATOM 428 O2 C A 14 2.842 1.649 2.958 1.00 0.00 O ATOM 429 N3 C A 14 0.805 0.732 3.323 1.00 0.00 N ATOM 430 C4 C A 14 0.005 0.052 4.145 1.00 0.00 C ATOM 431 N4 C A 14 -1.239 -0.198 3.736 1.00 0.00 N ATOM 432 C5 C A 14 0.445 -0.402 5.422 1.00 0.00 C ATOM 433 C6 C A 14 1.703 -0.114 5.778 1.00 0.00 C ATOM 0 H5' C A 14 4.931 -1.081 8.744 1.00 0.00 H new ATOM 0 H5'' C A 14 4.537 0.358 9.664 1.00 0.00 H new ATOM 0 H4' C A 14 5.730 0.885 7.691 1.00 0.00 H new ATOM 0 H3' C A 14 2.873 1.947 7.762 1.00 0.00 H new ATOM 0 H2' C A 14 3.339 3.055 5.600 1.00 0.00 H new ATOM 0 HO2' C A 14 5.775 3.107 6.479 1.00 0.00 H new ATOM 0 H1' C A 14 4.517 0.878 4.440 1.00 0.00 H new ATOM 0 H41 C A 14 -1.879 -0.716 4.338 1.00 0.00 H new ATOM 0 H42 C A 14 -1.550 0.128 2.821 1.00 0.00 H new ATOM 0 H5 C A 14 -0.211 -0.957 6.077 1.00 0.00 H new ATOM 0 H6 C A 14 2.071 -0.441 6.739 1.00 0.00 H new ATOM 445 P C A 15 3.551 3.863 9.253 1.00 0.00 P ATOM 446 OP1 C A 15 4.406 4.324 10.376 1.00 0.00 O ATOM 447 OP2 C A 15 2.300 3.118 9.547 1.00 0.00 O ATOM 448 O5' C A 15 3.180 5.134 8.368 1.00 0.00 O ATOM 449 C5' C A 15 4.080 6.236 8.260 1.00 0.00 C ATOM 450 C4' C A 15 3.795 7.025 7.003 1.00 0.00 C ATOM 451 O4' C A 15 3.570 6.105 5.900 1.00 0.00 O ATOM 452 C3' C A 15 2.548 7.894 7.031 1.00 0.00 C ATOM 453 O3' C A 15 2.816 9.147 7.658 1.00 0.00 O ATOM 454 C2' C A 15 2.220 8.018 5.549 1.00 0.00 C ATOM 455 O2' C A 15 3.093 8.922 4.895 1.00 0.00 O ATOM 456 C1' C A 15 2.536 6.602 5.068 1.00 0.00 C ATOM 457 N1 C A 15 1.388 5.682 5.147 1.00 0.00 N ATOM 458 C2 C A 15 0.304 5.887 4.291 1.00 0.00 C ATOM 459 O2 C A 15 0.345 6.825 3.482 1.00 0.00 O ATOM 460 N3 C A 15 -0.761 5.060 4.364 1.00 0.00 N ATOM 461 C4 C A 15 -0.768 4.058 5.243 1.00 0.00 C ATOM 462 N4 C A 15 -1.843 3.272 5.276 1.00 0.00 N ATOM 463 C5 C A 15 0.326 3.818 6.124 1.00 0.00 C ATOM 464 C6 C A 15 1.375 4.647 6.042 1.00 0.00 C ATOM 0 H5' C A 15 5.108 5.874 8.245 1.00 0.00 H new ATOM 0 H5'' C A 15 3.982 6.881 9.133 1.00 0.00 H new ATOM 0 H4' C A 15 4.667 7.671 6.902 1.00 0.00 H new ATOM 0 H3' C A 15 1.718 7.488 7.609 1.00 0.00 H new ATOM 0 H2' C A 15 1.209 8.378 5.357 1.00 0.00 H new ATOM 0 HO2' C A 15 2.570 9.639 4.479 1.00 0.00 H new ATOM 0 H1' C A 15 2.818 6.656 4.017 1.00 0.00 H new ATOM 0 H41 C A 15 -1.886 2.494 5.935 1.00 0.00 H new ATOM 0 H42 C A 15 -2.623 3.448 4.642 1.00 0.00 H new ATOM 0 H5 C A 15 0.310 3.000 6.830 1.00 0.00 H new ATOM 0 H6 C A 15 2.224 4.496 6.692 1.00 0.00 H new ATOM 476 P G A 16 1.635 9.941 8.408 1.00 0.00 P ATOM 477 OP1 G A 16 2.257 11.098 9.099 1.00 0.00 O ATOM 478 OP2 G A 16 0.818 8.977 9.188 1.00 0.00 O ATOM 479 O5' G A 16 0.743 10.507 7.217 1.00 0.00 O ATOM 480 C5' G A 16 1.280 11.438 6.282 1.00 0.00 C ATOM 481 C4' G A 16 0.489 11.401 4.996 1.00 0.00 C ATOM 482 O4' G A 16 0.270 10.015 4.618 1.00 0.00 O ATOM 483 C3' G A 16 -0.904 12.007 5.071 1.00 0.00 C ATOM 484 O3' G A 16 -0.853 13.415 4.843 1.00 0.00 O ATOM 485 C2' G A 16 -1.652 11.256 3.975 1.00 0.00 C ATOM 486 O2' G A 16 -1.348 11.783 2.696 1.00 0.00 O ATOM 487 C1' G A 16 -1.033 9.862 4.088 1.00 0.00 C ATOM 488 N9 G A 16 -1.776 8.949 4.952 1.00 0.00 N ATOM 489 C8 G A 16 -1.360 8.406 6.145 1.00 0.00 C ATOM 490 N7 G A 16 -2.246 7.616 6.689 1.00 0.00 N ATOM 491 C5 G A 16 -3.314 7.638 5.801 1.00 0.00 C ATOM 492 C6 G A 16 -4.570 6.973 5.851 1.00 0.00 C ATOM 493 O6 G A 16 -5.005 6.202 6.716 1.00 0.00 O ATOM 494 N1 G A 16 -5.355 7.280 4.746 1.00 0.00 N ATOM 495 C2 G A 16 -4.984 8.113 3.722 1.00 0.00 C ATOM 496 N2 G A 16 -5.882 8.281 2.745 1.00 0.00 N ATOM 497 N3 G A 16 -3.821 8.737 3.659 1.00 0.00 N ATOM 498 C4 G A 16 -3.040 8.457 4.725 1.00 0.00 C ATOM 0 H5' G A 16 2.325 11.201 6.082 1.00 0.00 H new ATOM 0 H5'' G A 16 1.256 12.443 6.704 1.00 0.00 H new ATOM 0 H4' G A 16 1.085 11.983 4.293 1.00 0.00 H new ATOM 0 H3' G A 16 -1.387 11.907 6.043 1.00 0.00 H new ATOM 0 H2' G A 16 -2.736 11.302 4.083 1.00 0.00 H new ATOM 0 HO2' G A 16 -0.964 12.679 2.794 1.00 0.00 H new ATOM 0 H1' G A 16 -1.041 9.421 3.091 1.00 0.00 H new ATOM 0 H8 G A 16 -0.397 8.612 6.588 1.00 0.00 H new ATOM 0 H1 G A 16 -6.279 6.852 4.693 1.00 0.00 H new ATOM 0 H21 G A 16 -5.668 8.888 1.954 1.00 0.00 H new ATOM 0 H22 G A 16 -6.781 7.802 2.791 1.00 0.00 H new ATOM 510 P A A 17 -1.680 14.417 5.792 1.00 0.00 P ATOM 511 OP1 A A 17 -1.074 15.762 5.628 1.00 0.00 O ATOM 512 OP2 A A 17 -1.802 13.830 7.152 1.00 0.00 O ATOM 513 O5' A A 17 -3.130 14.452 5.132 1.00 0.00 O ATOM 514 C5' A A 17 -3.303 14.822 3.766 1.00 0.00 C ATOM 515 C4' A A 17 -4.609 14.274 3.239 1.00 0.00 C ATOM 516 O4' A A 17 -4.553 12.823 3.278 1.00 0.00 O ATOM 517 C3' A A 17 -5.844 14.640 4.052 1.00 0.00 C ATOM 518 O3' A A 17 -6.399 15.897 3.654 1.00 0.00 O ATOM 519 C2' A A 17 -6.785 13.474 3.770 1.00 0.00 C ATOM 520 O2' A A 17 -7.421 13.620 2.512 1.00 0.00 O ATOM 521 C1' A A 17 -5.803 12.305 3.693 1.00 0.00 C ATOM 522 N9 A A 17 -5.615 11.606 4.964 1.00 0.00 N ATOM 523 C8 A A 17 -4.586 11.745 5.863 1.00 0.00 C ATOM 524 N7 A A 17 -4.696 10.972 6.916 1.00 0.00 N ATOM 525 C5 A A 17 -5.878 10.277 6.696 1.00 0.00 C ATOM 526 C6 A A 17 -6.556 9.300 7.447 1.00 0.00 C ATOM 527 N6 A A 17 -6.123 8.832 8.619 1.00 0.00 N ATOM 528 N1 A A 17 -7.711 8.812 6.945 1.00 0.00 N ATOM 529 C2 A A 17 -8.146 9.281 5.769 1.00 0.00 C ATOM 530 N3 A A 17 -7.599 10.194 4.971 1.00 0.00 N ATOM 531 C4 A A 17 -6.454 10.659 5.499 1.00 0.00 C ATOM 0 H5' A A 17 -2.473 14.441 3.170 1.00 0.00 H new ATOM 0 H5'' A A 17 -3.291 15.908 3.671 1.00 0.00 H new ATOM 0 H4' A A 17 -4.710 14.707 2.244 1.00 0.00 H new ATOM 0 H3' A A 17 -5.637 14.775 5.114 1.00 0.00 H new ATOM 0 H2' A A 17 -7.580 13.373 4.509 1.00 0.00 H new ATOM 0 HO2' A A 17 -7.365 14.555 2.224 1.00 0.00 H new ATOM 0 HO3' A A 17 -7.190 16.093 4.199 1.00 0.00 H new ATOM 0 H1' A A 17 -6.215 11.577 2.995 1.00 0.00 H new ATOM 0 H8 A A 17 -3.762 12.428 5.716 1.00 0.00 H new ATOM 0 H61 A A 17 -6.662 8.122 9.115 1.00 0.00 H new ATOM 0 H62 A A 17 -5.253 9.184 9.019 1.00 0.00 H new ATOM 0 H2 A A 17 -9.075 8.857 5.417 1.00 0.00 H new TER 544 A A 17