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 -36:sc= -1.49! USER MOD Single : A 2 C O2' : rot -17:sc= 0.0139 USER MOD Single : A 3 G O2' : rot 180:sc= -0.642 USER MOD Single : A 4 G O2' : rot -23:sc= 0.0686 USER MOD Single : A 5 G O2' : rot -19:sc= 0.0289 USER MOD Single : A 6 C O2' : rot -26:sc= 0.0594 USER MOD Single : A 7 C O2' : rot -118:sc= 1.31 USER MOD Single : A 8 RSQ O2' : rot -133:sc= 0.129 USER MOD Single : A 9 A O2' : rot -20:sc= 0.0856 USER MOD Single : A 10 U O2' : rot 180:sc= -2.33! USER MOD Single : A 11 A O2' : rot -26:sc= 0.0473 USER MOD Single : A 12 C O2' : rot -16:sc= 0.0977 USER MOD Single : A 13 C O2' : rot -16:sc= 0.0616 USER MOD Single : A 14 C O2' : rot -16:sc= 0.0451 USER MOD Single : A 15 C O2' : rot -18:sc= 0.0384 USER MOD Single : A 16 G O2' : rot 180:sc= 0 USER MOD Single : A 17 A O2' : rot -17:sc= 0.09 USER MOD Single : A 17 A O3' : rot 180:sc= 0.103 USER MOD ----------------------------------------------------------------- HETATM 1 N1 PSU A 1 -9.068 0.294 7.205 1.00 0.00 N HETATM 2 C2 PSU A 1 -9.226 1.626 7.523 1.00 0.00 C HETATM 3 N3 PSU A 1 -10.078 2.320 6.705 1.00 0.00 N HETATM 4 C4 PSU A 1 -10.774 1.829 5.626 1.00 0.00 C HETATM 5 C5 PSU A 1 -10.558 0.439 5.358 1.00 0.00 C HETATM 6 C6 PSU A 1 -9.731 -0.268 6.138 1.00 0.00 C HETATM 7 O2 PSU A 1 -8.653 2.153 8.457 1.00 0.00 O HETATM 8 O4 PSU A 1 -11.503 2.585 4.986 1.00 0.00 O HETATM 9 C1' PSU A 1 -11.264 -0.162 4.224 1.00 0.00 C HETATM 10 C2' PSU A 1 -10.558 0.036 2.881 1.00 0.00 C HETATM 11 O2' PSU A 1 -11.547 0.175 1.878 1.00 0.00 O HETATM 12 C3' PSU A 1 -9.798 -1.280 2.740 1.00 0.00 C HETATM 13 C4' PSU A 1 -10.761 -2.283 3.358 1.00 0.00 C HETATM 14 O3' PSU A 1 -9.506 -1.608 1.383 1.00 0.00 O HETATM 15 O4' PSU A 1 -11.377 -1.555 4.453 1.00 0.00 O HETATM 16 C5' PSU A 1 -10.129 -3.547 3.896 1.00 0.00 C HETATM 17 O5' PSU A 1 -9.146 -3.243 4.891 1.00 0.00 O HETATM 0 HO2' PSU A 1 -12.305 -0.411 2.083 1.00 0.00 H new HETATM 0 H5'' PSU A 1 -10.899 -4.190 4.324 1.00 0.00 H new HETATM 0 HN3 PSU A 1 -10.210 3.308 6.920 1.00 0.00 H new HETATM 0 HN1 PSU A 1 -8.448 -0.286 7.771 1.00 0.00 H new HETATM 0 H6 PSU A 1 -9.578 -1.325 5.921 1.00 0.00 H new HETATM 0 H5' PSU A 1 -9.667 -4.103 3.080 1.00 0.00 H new HETATM 0 H4' PSU A 1 -11.446 -2.638 2.588 1.00 0.00 H new HETATM 0 H3' PSU A 1 -8.819 -1.252 3.219 1.00 0.00 H new HETATM 0 H2' PSU A 1 -9.911 0.910 2.806 1.00 0.00 H new HETATM 0 H1' PSU A 1 -12.232 0.335 4.159 1.00 0.00 H new ATOM 28 P C A 2 -8.185 -1.015 0.680 1.00 0.00 P ATOM 29 OP1 C A 2 -8.087 -1.626 -0.671 1.00 0.00 O ATOM 30 OP2 C A 2 -7.047 -1.143 1.626 1.00 0.00 O ATOM 31 O5' C A 2 -8.502 0.536 0.502 1.00 0.00 O ATOM 32 C5' C A 2 -9.546 0.982 -0.361 1.00 0.00 C ATOM 33 C4' C A 2 -9.432 2.471 -0.585 1.00 0.00 C ATOM 34 O4' C A 2 -9.428 3.145 0.704 1.00 0.00 O ATOM 35 C3' C A 2 -8.149 2.920 -1.271 1.00 0.00 C ATOM 36 O3' C A 2 -8.290 2.892 -2.688 1.00 0.00 O ATOM 37 C2' C A 2 -7.954 4.330 -0.726 1.00 0.00 C ATOM 38 O2' C A 2 -8.800 5.254 -1.385 1.00 0.00 O ATOM 39 C1' C A 2 -8.438 4.159 0.714 1.00 0.00 C ATOM 40 N1 C A 2 -7.378 3.767 1.661 1.00 0.00 N ATOM 41 C2 C A 2 -6.426 4.717 2.041 1.00 0.00 C ATOM 42 O2 C A 2 -6.498 5.863 1.573 1.00 0.00 O ATOM 43 N3 C A 2 -5.451 4.364 2.909 1.00 0.00 N ATOM 44 C4 C A 2 -5.407 3.122 3.394 1.00 0.00 C ATOM 45 N4 C A 2 -4.429 2.820 4.250 1.00 0.00 N ATOM 46 C5 C A 2 -6.363 2.133 3.024 1.00 0.00 C ATOM 47 C6 C A 2 -7.322 2.496 2.163 1.00 0.00 C ATOM 0 H5' C A 2 -10.516 0.745 0.076 1.00 0.00 H new ATOM 0 H5'' C A 2 -9.489 0.457 -1.315 1.00 0.00 H new ATOM 0 H4' C A 2 -10.277 2.721 -1.226 1.00 0.00 H new ATOM 0 H3' C A 2 -7.291 2.277 -1.074 1.00 0.00 H new ATOM 0 H2' C A 2 -6.937 4.705 -0.842 1.00 0.00 H new ATOM 0 HO2' C A 2 -9.133 4.857 -2.217 1.00 0.00 H new ATOM 0 H1' C A 2 -8.812 5.124 1.055 1.00 0.00 H new ATOM 0 H41 C A 2 -4.365 1.880 4.640 1.00 0.00 H new ATOM 0 H42 C A 2 -3.745 3.529 4.514 1.00 0.00 H new ATOM 0 H5 C A 2 -6.316 1.130 3.422 1.00 0.00 H new ATOM 0 H6 C A 2 -8.064 1.773 1.860 1.00 0.00 H new ATOM 59 P G A 3 -7.053 2.441 -3.613 1.00 0.00 P ATOM 60 OP1 G A 3 -7.575 2.233 -4.987 1.00 0.00 O ATOM 61 OP2 G A 3 -6.332 1.337 -2.928 1.00 0.00 O ATOM 62 O5' G A 3 -6.105 3.721 -3.632 1.00 0.00 O ATOM 63 C5' G A 3 -6.591 4.985 -4.077 1.00 0.00 C ATOM 64 C4' G A 3 -5.482 6.008 -4.049 1.00 0.00 C ATOM 65 O4' G A 3 -5.363 6.542 -2.700 1.00 0.00 O ATOM 66 C3' G A 3 -4.093 5.472 -4.369 1.00 0.00 C ATOM 67 O3' G A 3 -3.856 5.429 -5.773 1.00 0.00 O ATOM 68 C2' G A 3 -3.194 6.463 -3.642 1.00 0.00 C ATOM 69 O2' G A 3 -3.108 7.696 -4.334 1.00 0.00 O ATOM 70 C1' G A 3 -3.995 6.684 -2.360 1.00 0.00 C ATOM 71 N9 G A 3 -3.681 5.735 -1.296 1.00 0.00 N ATOM 72 C8 G A 3 -4.234 4.493 -1.100 1.00 0.00 C ATOM 73 N7 G A 3 -3.757 3.875 -0.054 1.00 0.00 N ATOM 74 C5 G A 3 -2.828 4.763 0.472 1.00 0.00 C ATOM 75 C6 G A 3 -1.989 4.649 1.610 1.00 0.00 C ATOM 76 O6 G A 3 -1.895 3.712 2.412 1.00 0.00 O ATOM 77 N1 G A 3 -1.201 5.783 1.778 1.00 0.00 N ATOM 78 C2 G A 3 -1.217 6.882 0.960 1.00 0.00 C ATOM 79 N2 G A 3 -0.383 7.874 1.290 1.00 0.00 N ATOM 80 N3 G A 3 -1.993 7.003 -0.102 1.00 0.00 N ATOM 81 C4 G A 3 -2.768 5.914 -0.285 1.00 0.00 C ATOM 0 H5' G A 3 -7.413 5.312 -3.440 1.00 0.00 H new ATOM 0 H5'' G A 3 -6.987 4.895 -5.088 1.00 0.00 H new ATOM 0 H4' G A 3 -5.765 6.733 -4.812 1.00 0.00 H new ATOM 0 H3' G A 3 -3.928 4.442 -4.053 1.00 0.00 H new ATOM 0 H2' G A 3 -2.170 6.109 -3.519 1.00 0.00 H new ATOM 0 HO2' G A 3 -2.525 8.309 -3.839 1.00 0.00 H new ATOM 0 H1' G A 3 -3.745 7.672 -1.973 1.00 0.00 H new ATOM 0 H8 G A 3 -4.988 4.070 -1.747 1.00 0.00 H new ATOM 0 H1 G A 3 -0.561 5.797 2.572 1.00 0.00 H new ATOM 0 H21 G A 3 -0.347 8.720 0.721 1.00 0.00 H new ATOM 0 H22 G A 3 0.217 7.784 2.110 1.00 0.00 H new ATOM 93 P G A 4 -2.818 4.358 -6.379 1.00 0.00 P ATOM 94 OP1 G A 4 -2.908 4.416 -7.860 1.00 0.00 O ATOM 95 OP2 G A 4 -3.035 3.064 -5.683 1.00 0.00 O ATOM 96 O5' G A 4 -1.391 4.917 -5.944 1.00 0.00 O ATOM 97 C5' G A 4 -1.008 6.258 -6.242 1.00 0.00 C ATOM 98 C4' G A 4 0.132 6.687 -5.349 1.00 0.00 C ATOM 99 O4' G A 4 -0.305 6.677 -3.964 1.00 0.00 O ATOM 100 C3' G A 4 1.346 5.772 -5.351 1.00 0.00 C ATOM 101 O3' G A 4 2.190 6.031 -6.470 1.00 0.00 O ATOM 102 C2' G A 4 2.002 6.111 -4.018 1.00 0.00 C ATOM 103 O2' G A 4 2.698 7.342 -4.084 1.00 0.00 O ATOM 104 C1' G A 4 0.773 6.293 -3.127 1.00 0.00 C ATOM 105 N9 G A 4 0.388 5.083 -2.406 1.00 0.00 N ATOM 106 C8 G A 4 -0.491 4.112 -2.820 1.00 0.00 C ATOM 107 N7 G A 4 -0.633 3.144 -1.957 1.00 0.00 N ATOM 108 C5 G A 4 0.205 3.496 -0.907 1.00 0.00 C ATOM 109 C6 G A 4 0.476 2.832 0.318 1.00 0.00 C ATOM 110 O6 G A 4 0.011 1.766 0.740 1.00 0.00 O ATOM 111 N1 G A 4 1.392 3.538 1.089 1.00 0.00 N ATOM 112 C2 G A 4 1.972 4.728 0.733 1.00 0.00 C ATOM 113 N2 G A 4 2.831 5.250 1.615 1.00 0.00 N ATOM 114 N3 G A 4 1.728 5.359 -0.402 1.00 0.00 N ATOM 115 C4 G A 4 0.842 4.691 -1.170 1.00 0.00 C ATOM 0 H5' G A 4 -1.858 6.926 -6.104 1.00 0.00 H new ATOM 0 H5'' G A 4 -0.709 6.334 -7.287 1.00 0.00 H new ATOM 0 H4' G A 4 0.413 7.663 -5.744 1.00 0.00 H new ATOM 0 H3' G A 4 1.110 4.712 -5.447 1.00 0.00 H new ATOM 0 H2' G A 4 2.725 5.365 -3.688 1.00 0.00 H new ATOM 0 HO2' G A 4 2.933 7.535 -5.016 1.00 0.00 H new ATOM 0 H1' G A 4 1.017 7.043 -2.374 1.00 0.00 H new ATOM 0 H8 G A 4 -1.012 4.146 -3.765 1.00 0.00 H new ATOM 0 H1 G A 4 1.653 3.139 1.991 1.00 0.00 H new ATOM 0 H21 G A 4 3.297 6.134 1.411 1.00 0.00 H new ATOM 0 H22 G A 4 3.020 4.764 2.492 1.00 0.00 H new ATOM 127 P G A 5 2.910 4.809 -7.228 1.00 0.00 P ATOM 128 OP1 G A 5 3.555 5.373 -8.442 1.00 0.00 O ATOM 129 OP2 G A 5 1.943 3.690 -7.366 1.00 0.00 O ATOM 130 O5' G A 5 4.061 4.363 -6.219 1.00 0.00 O ATOM 131 C5' G A 5 5.177 5.214 -5.968 1.00 0.00 C ATOM 132 C4' G A 5 5.869 4.813 -4.684 1.00 0.00 C ATOM 133 O4' G A 5 4.926 4.837 -3.577 1.00 0.00 O ATOM 134 C3' G A 5 6.415 3.396 -4.627 1.00 0.00 C ATOM 135 O3' G A 5 7.630 3.246 -5.353 1.00 0.00 O ATOM 136 C2' G A 5 6.589 3.207 -3.127 1.00 0.00 C ATOM 137 O2' G A 5 7.697 3.938 -2.631 1.00 0.00 O ATOM 138 C1' G A 5 5.306 3.861 -2.617 1.00 0.00 C ATOM 139 N9 G A 5 4.210 2.910 -2.455 1.00 0.00 N ATOM 140 C8 G A 5 3.141 2.719 -3.298 1.00 0.00 C ATOM 141 N7 G A 5 2.328 1.780 -2.894 1.00 0.00 N ATOM 142 C5 G A 5 2.895 1.322 -1.711 1.00 0.00 C ATOM 143 C6 G A 5 2.468 0.304 -0.816 1.00 0.00 C ATOM 144 O6 G A 5 1.474 -0.425 -0.893 1.00 0.00 O ATOM 145 N1 G A 5 3.338 0.169 0.258 1.00 0.00 N ATOM 146 C2 G A 5 4.474 0.911 0.450 1.00 0.00 C ATOM 147 N2 G A 5 5.179 0.628 1.551 1.00 0.00 N ATOM 148 N3 G A 5 4.888 1.860 -0.373 1.00 0.00 N ATOM 149 C4 G A 5 4.056 2.012 -1.425 1.00 0.00 C ATOM 0 H5' G A 5 4.844 6.250 -5.901 1.00 0.00 H new ATOM 0 H5'' G A 5 5.879 5.158 -6.800 1.00 0.00 H new ATOM 0 H4' G A 5 6.690 5.528 -4.629 1.00 0.00 H new ATOM 0 H3' G A 5 5.770 2.651 -5.092 1.00 0.00 H new ATOM 0 H2' G A 5 6.756 2.170 -2.834 1.00 0.00 H new ATOM 0 HO2' G A 5 8.297 4.165 -3.372 1.00 0.00 H new ATOM 0 H1' G A 5 5.501 4.290 -1.634 1.00 0.00 H new ATOM 0 H8 G A 5 2.989 3.288 -4.203 1.00 0.00 H new ATOM 0 H1 G A 5 3.114 -0.538 0.959 1.00 0.00 H new ATOM 0 H21 G A 5 6.036 1.143 1.754 1.00 0.00 H new ATOM 0 H22 G A 5 4.860 -0.103 2.187 1.00 0.00 H new ATOM 161 P C A 6 7.948 1.853 -6.091 1.00 0.00 P ATOM 162 OP1 C A 6 9.334 1.941 -6.618 1.00 0.00 O ATOM 163 OP2 C A 6 6.829 1.542 -7.019 1.00 0.00 O ATOM 164 O5' C A 6 7.926 0.778 -4.914 1.00 0.00 O ATOM 165 C5' C A 6 8.967 0.727 -3.940 1.00 0.00 C ATOM 166 C4' C A 6 8.867 -0.551 -3.140 1.00 0.00 C ATOM 167 O4' C A 6 7.700 -0.481 -2.275 1.00 0.00 O ATOM 168 C3' C A 6 8.640 -1.810 -3.962 1.00 0.00 C ATOM 169 O3' C A 6 9.854 -2.344 -4.483 1.00 0.00 O ATOM 170 C2' C A 6 7.981 -2.743 -2.954 1.00 0.00 C ATOM 171 O2' C A 6 8.926 -3.304 -2.063 1.00 0.00 O ATOM 172 C1' C A 6 7.102 -1.765 -2.176 1.00 0.00 C ATOM 173 N1 C A 6 5.724 -1.688 -2.692 1.00 0.00 N ATOM 174 C2 C A 6 4.882 -2.792 -2.528 1.00 0.00 C ATOM 175 O2 C A 6 5.309 -3.791 -1.929 1.00 0.00 O ATOM 176 N3 C A 6 3.625 -2.742 -3.024 1.00 0.00 N ATOM 177 C4 C A 6 3.203 -1.648 -3.659 1.00 0.00 C ATOM 178 N4 C A 6 1.963 -1.646 -4.145 1.00 0.00 N ATOM 179 C5 C A 6 4.035 -0.505 -3.825 1.00 0.00 C ATOM 180 C6 C A 6 5.272 -0.566 -3.325 1.00 0.00 C ATOM 0 H5' C A 6 8.896 1.588 -3.275 1.00 0.00 H new ATOM 0 H5'' C A 6 9.938 0.783 -4.431 1.00 0.00 H new ATOM 0 H4' C A 6 9.825 -0.622 -2.626 1.00 0.00 H new ATOM 0 H3' C A 6 8.035 -1.641 -4.852 1.00 0.00 H new ATOM 0 H2' C A 6 7.466 -3.582 -3.422 1.00 0.00 H new ATOM 0 HO2' C A 6 9.808 -3.323 -2.491 1.00 0.00 H new ATOM 0 H1' C A 6 7.034 -2.116 -1.146 1.00 0.00 H new ATOM 0 H41 C A 6 1.609 -0.825 -4.636 1.00 0.00 H new ATOM 0 H42 C A 6 1.367 -2.465 -4.026 1.00 0.00 H new ATOM 0 H5 C A 6 3.680 0.378 -4.336 1.00 0.00 H new ATOM 0 H6 C A 6 5.926 0.288 -3.423 1.00 0.00 H new ATOM 192 P C A 7 9.830 -3.191 -5.851 1.00 0.00 P ATOM 193 OP1 C A 7 11.019 -4.081 -5.839 1.00 0.00 O ATOM 194 OP2 C A 7 9.635 -2.244 -6.979 1.00 0.00 O ATOM 195 O5' C A 7 8.522 -4.096 -5.731 1.00 0.00 O ATOM 196 C5' C A 7 8.550 -5.345 -5.040 1.00 0.00 C ATOM 197 C4' C A 7 7.152 -5.914 -4.929 1.00 0.00 C ATOM 198 O4' C A 7 6.232 -4.853 -4.545 1.00 0.00 O ATOM 199 C3' C A 7 6.576 -6.480 -6.221 1.00 0.00 C ATOM 200 O3' C A 7 6.925 -7.850 -6.407 1.00 0.00 O ATOM 201 C2' C A 7 5.077 -6.299 -6.026 1.00 0.00 C ATOM 202 O2' C A 7 4.553 -7.292 -5.167 1.00 0.00 O ATOM 203 C1' C A 7 5.031 -4.960 -5.293 1.00 0.00 C ATOM 204 N1 C A 7 4.932 -3.787 -6.179 1.00 0.00 N ATOM 205 C2 C A 7 3.799 -3.632 -6.980 1.00 0.00 C ATOM 206 O2 C A 7 2.903 -4.486 -6.922 1.00 0.00 O ATOM 207 N3 C A 7 3.708 -2.557 -7.796 1.00 0.00 N ATOM 208 C4 C A 7 4.695 -1.659 -7.826 1.00 0.00 C ATOM 209 N4 C A 7 4.563 -0.613 -8.644 1.00 0.00 N ATOM 210 C5 C A 7 5.861 -1.793 -7.019 1.00 0.00 C ATOM 211 C6 C A 7 5.935 -2.862 -6.219 1.00 0.00 C ATOM 0 H5' C A 7 8.975 -5.209 -4.045 1.00 0.00 H new ATOM 0 H5'' C A 7 9.195 -6.047 -5.569 1.00 0.00 H new ATOM 0 H4' C A 7 7.247 -6.722 -4.204 1.00 0.00 H new ATOM 0 H3' C A 7 6.958 -5.984 -7.113 1.00 0.00 H new ATOM 0 H2' C A 7 4.511 -6.353 -6.956 1.00 0.00 H new ATOM 0 HO2' C A 7 3.897 -7.833 -5.654 1.00 0.00 H new ATOM 0 H1' C A 7 4.132 -4.954 -4.677 1.00 0.00 H new ATOM 0 H41 C A 7 5.298 0.093 -8.692 1.00 0.00 H new ATOM 0 H42 C A 7 3.727 -0.519 -9.221 1.00 0.00 H new ATOM 0 H5 C A 7 6.654 -1.060 -7.052 1.00 0.00 H new ATOM 0 H6 C A 7 6.805 -2.996 -5.593 1.00 0.00 H new HETATM 223 P RSQ A 8 7.591 -8.329 -7.792 1.00 0.00 P HETATM 224 N1 RSQ A 8 4.054 -12.994 -7.925 1.00 0.00 N HETATM 225 C2 RSQ A 8 3.057 -13.946 -7.704 1.00 0.00 C HETATM 226 O2 RSQ A 8 2.462 -14.429 -8.678 1.00 0.00 O HETATM 227 N3 RSQ A 8 2.766 -14.314 -6.439 1.00 0.00 N HETATM 228 C4 RSQ A 8 3.430 -13.776 -5.419 1.00 0.00 C HETATM 229 N4 RSQ A 8 3.104 -14.172 -4.196 1.00 0.00 N HETATM 230 C5 RSQ A 8 4.458 -12.806 -5.608 1.00 0.00 C HETATM 231 C6 RSQ A 8 4.728 -12.445 -6.870 1.00 0.00 C HETATM 232 C1' RSQ A 8 4.371 -12.607 -9.309 1.00 0.00 C HETATM 233 C10 RSQ A 8 5.223 -12.202 -4.529 1.00 0.00 C HETATM 234 C2' RSQ A 8 3.639 -11.353 -9.792 1.00 0.00 C HETATM 235 O2' RSQ A 8 3.258 -11.555 -11.140 1.00 0.00 O HETATM 236 C3' RSQ A 8 4.722 -10.280 -9.680 1.00 0.00 C HETATM 237 O3' RSQ A 8 4.558 -9.248 -10.651 1.00 0.00 O HETATM 238 O30 RSQ A 8 5.095 -12.434 -3.362 1.00 0.00 O HETATM 239 C4' RSQ A 8 6.012 -11.051 -9.924 1.00 0.00 C HETATM 240 O4' RSQ A 8 5.764 -12.375 -9.390 1.00 0.00 O HETATM 241 C5' RSQ A 8 7.245 -10.489 -9.253 1.00 0.00 C HETATM 242 O5' RSQ A 8 6.879 -9.720 -8.107 1.00 0.00 O HETATM 243 OP1 RSQ A 8 7.203 -7.376 -8.863 1.00 0.00 O HETATM 244 OP2 RSQ A 8 9.029 -8.597 -7.537 1.00 0.00 O HETATM 0 HO2' RSQ A 8 3.488 -10.762 -11.667 1.00 0.00 H new HETATM 0 HN4A RSQ A 8 3.590 -13.783 -3.388 1.00 0.00 H new HETATM 0 H5'A RSQ A 8 7.909 -11.302 -8.957 1.00 0.00 H new HETATM 0 HN4 RSQ A 8 2.368 -14.865 -4.064 1.00 0.00 H new HETATM 0 H6 RSQ A 8 5.500 -11.699 -7.059 1.00 0.00 H new HETATM 0 H5' RSQ A 8 7.798 -9.866 -9.956 1.00 0.00 H new HETATM 0 H4' RSQ A 8 6.235 -11.012 -10.990 1.00 0.00 H new HETATM 0 H3' RSQ A 8 4.697 -9.769 -8.717 1.00 0.00 H new HETATM 0 H2' RSQ A 8 2.736 -11.097 -9.238 1.00 0.00 H new HETATM 0 H10 RSQ A 8 5.982 -11.471 -4.809 1.00 0.00 H new HETATM 0 H1' RSQ A 8 4.041 -13.423 -9.952 1.00 0.00 H new ATOM 256 P A A 9 3.629 -7.976 -10.322 1.00 0.00 P ATOM 257 OP1 A A 9 3.234 -7.372 -11.620 1.00 0.00 O ATOM 258 OP2 A A 9 4.327 -7.143 -9.311 1.00 0.00 O ATOM 259 O5' A A 9 2.340 -8.611 -9.631 1.00 0.00 O ATOM 260 C5' A A 9 1.213 -9.039 -10.400 1.00 0.00 C ATOM 261 C4' A A 9 -0.064 -8.727 -9.658 1.00 0.00 C ATOM 262 O4' A A 9 -0.282 -9.752 -8.648 1.00 0.00 O ATOM 263 C3' A A 9 -0.043 -7.413 -8.890 1.00 0.00 C ATOM 264 O3' A A 9 -0.486 -6.326 -9.694 1.00 0.00 O ATOM 265 C2' A A 9 -0.988 -7.690 -7.723 1.00 0.00 C ATOM 266 O2' A A 9 -2.343 -7.600 -8.122 1.00 0.00 O ATOM 267 C1' A A 9 -0.665 -9.152 -7.423 1.00 0.00 C ATOM 268 N9 A A 9 0.431 -9.307 -6.469 1.00 0.00 N ATOM 269 C8 A A 9 1.732 -8.929 -6.663 1.00 0.00 C ATOM 270 N7 A A 9 2.518 -9.193 -5.651 1.00 0.00 N ATOM 271 C5 A A 9 1.672 -9.767 -4.714 1.00 0.00 C ATOM 272 C6 A A 9 1.896 -10.261 -3.420 1.00 0.00 C ATOM 273 N6 A A 9 3.090 -10.261 -2.825 1.00 0.00 N ATOM 274 N1 A A 9 0.840 -10.765 -2.749 1.00 0.00 N ATOM 275 C2 A A 9 -0.357 -10.768 -3.348 1.00 0.00 C ATOM 276 N3 A A 9 -0.693 -10.336 -4.563 1.00 0.00 N ATOM 277 C4 A A 9 0.381 -9.842 -5.203 1.00 0.00 C ATOM 0 H5' A A 9 1.279 -10.110 -10.593 1.00 0.00 H new ATOM 0 H5'' A A 9 1.212 -8.540 -11.369 1.00 0.00 H new ATOM 0 H4' A A 9 -0.836 -8.675 -10.426 1.00 0.00 H new ATOM 0 H3' A A 9 0.955 -7.116 -8.567 1.00 0.00 H new ATOM 0 H2' A A 9 -0.864 -6.994 -6.893 1.00 0.00 H new ATOM 0 HO2' A A 9 -2.406 -7.080 -8.950 1.00 0.00 H new ATOM 0 H1' A A 9 -1.545 -9.617 -6.979 1.00 0.00 H new ATOM 0 H8 A A 9 2.079 -8.455 -7.570 1.00 0.00 H new ATOM 0 H61 A A 9 3.189 -10.635 -1.881 1.00 0.00 H new ATOM 0 H62 A A 9 3.903 -9.887 -3.314 1.00 0.00 H new ATOM 0 H2 A A 9 -1.166 -11.179 -2.763 1.00 0.00 H new ATOM 289 P U A 10 -0.202 -4.817 -9.217 1.00 0.00 P ATOM 290 OP1 U A 10 -1.029 -3.916 -10.057 1.00 0.00 O ATOM 291 OP2 U A 10 1.271 -4.636 -9.183 1.00 0.00 O ATOM 292 O5' U A 10 -0.778 -4.773 -7.729 1.00 0.00 O ATOM 293 C5' U A 10 -0.003 -4.266 -6.640 1.00 0.00 C ATOM 294 C4' U A 10 -0.748 -3.150 -5.939 1.00 0.00 C ATOM 295 O4' U A 10 -1.715 -2.588 -6.868 1.00 0.00 O ATOM 296 C3' U A 10 -1.541 -3.561 -4.699 1.00 0.00 C ATOM 297 O3' U A 10 -1.427 -2.580 -3.673 1.00 0.00 O ATOM 298 C2' U A 10 -2.971 -3.696 -5.216 1.00 0.00 C ATOM 299 O2' U A 10 -3.925 -3.360 -4.224 1.00 0.00 O ATOM 300 C1' U A 10 -3.003 -2.619 -6.295 1.00 0.00 C ATOM 301 N1 U A 10 -3.975 -2.881 -7.364 1.00 0.00 N ATOM 302 C2 U A 10 -5.036 -2.005 -7.502 1.00 0.00 C ATOM 303 O2 U A 10 -5.195 -1.036 -6.780 1.00 0.00 O ATOM 304 N3 U A 10 -5.904 -2.305 -8.521 1.00 0.00 N ATOM 305 C4 U A 10 -5.822 -3.365 -9.396 1.00 0.00 C ATOM 306 O4 U A 10 -6.679 -3.495 -10.271 1.00 0.00 O ATOM 307 C5 U A 10 -4.700 -4.226 -9.185 1.00 0.00 C ATOM 308 C6 U A 10 -3.835 -3.967 -8.200 1.00 0.00 C ATOM 0 H5' U A 10 0.955 -3.898 -7.007 1.00 0.00 H new ATOM 0 H5'' U A 10 0.213 -5.068 -5.934 1.00 0.00 H new ATOM 0 H4' U A 10 0.027 -2.456 -5.614 1.00 0.00 H new ATOM 0 H3' U A 10 -1.182 -4.484 -4.243 1.00 0.00 H new ATOM 0 H2' U A 10 -3.209 -4.709 -5.541 1.00 0.00 H new ATOM 0 HO2' U A 10 -4.828 -3.457 -4.592 1.00 0.00 H new ATOM 0 H1' U A 10 -3.300 -1.679 -5.830 1.00 0.00 H new ATOM 0 H3 U A 10 -6.696 -1.674 -8.644 1.00 0.00 H new ATOM 0 H5 U A 10 -4.552 -5.086 -9.822 1.00 0.00 H new ATOM 0 H6 U A 10 -2.997 -4.632 -8.054 1.00 0.00 H new ATOM 319 P A A 11 -0.733 -2.962 -2.273 1.00 0.00 P ATOM 320 OP1 A A 11 -0.882 -1.811 -1.349 1.00 0.00 O ATOM 321 OP2 A A 11 0.620 -3.496 -2.569 1.00 0.00 O ATOM 322 O5' A A 11 -1.620 -4.160 -1.711 1.00 0.00 O ATOM 323 C5' A A 11 -2.988 -3.964 -1.360 1.00 0.00 C ATOM 324 C4' A A 11 -3.546 -5.218 -0.728 1.00 0.00 C ATOM 325 O4' A A 11 -3.238 -6.360 -1.587 1.00 0.00 O ATOM 326 C3' A A 11 -2.949 -5.576 0.630 1.00 0.00 C ATOM 327 O3' A A 11 -3.662 -4.982 1.710 1.00 0.00 O ATOM 328 C2' A A 11 -3.045 -7.093 0.634 1.00 0.00 C ATOM 329 O2' A A 11 -4.373 -7.532 0.855 1.00 0.00 O ATOM 330 C1' A A 11 -2.660 -7.392 -0.809 1.00 0.00 C ATOM 331 N9 A A 11 -1.215 -7.401 -1.047 1.00 0.00 N ATOM 332 C8 A A 11 -0.514 -6.704 -2.000 1.00 0.00 C ATOM 333 N7 A A 11 0.780 -6.902 -1.955 1.00 0.00 N ATOM 334 C5 A A 11 0.944 -7.796 -0.907 1.00 0.00 C ATOM 335 C6 A A 11 2.084 -8.399 -0.348 1.00 0.00 C ATOM 336 N6 A A 11 3.326 -8.177 -0.780 1.00 0.00 N ATOM 337 N1 A A 11 1.902 -9.245 0.687 1.00 0.00 N ATOM 338 C2 A A 11 0.656 -9.457 1.130 1.00 0.00 C ATOM 339 N3 A A 11 -0.493 -8.954 0.686 1.00 0.00 N ATOM 340 C4 A A 11 -0.277 -8.119 -0.344 1.00 0.00 C ATOM 0 H5' A A 11 -3.566 -3.706 -2.247 1.00 0.00 H new ATOM 0 H5'' A A 11 -3.078 -3.127 -0.667 1.00 0.00 H new ATOM 0 H4' A A 11 -4.609 -5.014 -0.601 1.00 0.00 H new ATOM 0 H3' A A 11 -1.932 -5.207 0.767 1.00 0.00 H new ATOM 0 H2' A A 11 -2.441 -7.571 1.405 1.00 0.00 H new ATOM 0 HO2' A A 11 -4.866 -6.845 1.351 1.00 0.00 H new ATOM 0 H1' A A 11 -3.014 -8.391 -1.065 1.00 0.00 H new ATOM 0 H8 A A 11 -0.986 -6.052 -2.720 1.00 0.00 H new ATOM 0 H61 A A 11 4.113 -8.646 -0.332 1.00 0.00 H new ATOM 0 H62 A A 11 3.489 -7.538 -1.559 1.00 0.00 H new ATOM 0 H2 A A 11 0.572 -10.133 1.968 1.00 0.00 H new ATOM 352 P C A 12 -2.856 -4.428 2.988 1.00 0.00 P ATOM 353 OP1 C A 12 -3.831 -4.302 4.100 1.00 0.00 O ATOM 354 OP2 C A 12 -2.080 -3.236 2.556 1.00 0.00 O ATOM 355 O5' C A 12 -1.823 -5.593 3.337 1.00 0.00 O ATOM 356 C5' C A 12 -2.205 -6.705 4.151 1.00 0.00 C ATOM 357 C4' C A 12 -0.996 -7.279 4.858 1.00 0.00 C ATOM 358 O4' C A 12 -0.107 -7.875 3.874 1.00 0.00 O ATOM 359 C3' C A 12 -0.135 -6.269 5.603 1.00 0.00 C ATOM 360 O3' C A 12 -0.616 -6.060 6.928 1.00 0.00 O ATOM 361 C2' C A 12 1.244 -6.922 5.587 1.00 0.00 C ATOM 362 O2' C A 12 1.353 -7.909 6.596 1.00 0.00 O ATOM 363 C1' C A 12 1.241 -7.616 4.225 1.00 0.00 C ATOM 364 N1 C A 12 1.855 -6.817 3.150 1.00 0.00 N ATOM 365 C2 C A 12 3.250 -6.782 3.047 1.00 0.00 C ATOM 366 O2 C A 12 3.930 -7.418 3.866 1.00 0.00 O ATOM 367 N3 C A 12 3.821 -6.057 2.058 1.00 0.00 N ATOM 368 C4 C A 12 3.055 -5.383 1.198 1.00 0.00 C ATOM 369 N4 C A 12 3.660 -4.690 0.234 1.00 0.00 N ATOM 370 C5 C A 12 1.635 -5.390 1.286 1.00 0.00 C ATOM 371 C6 C A 12 1.081 -6.115 2.267 1.00 0.00 C ATOM 0 H5' C A 12 -2.672 -7.472 3.534 1.00 0.00 H new ATOM 0 H5'' C A 12 -2.948 -6.390 4.884 1.00 0.00 H new ATOM 0 H4' C A 12 -1.414 -7.979 5.582 1.00 0.00 H new ATOM 0 H3' C A 12 -0.136 -5.277 5.152 1.00 0.00 H new ATOM 0 H2' C A 12 2.056 -6.213 5.751 1.00 0.00 H new ATOM 0 HO2' C A 12 0.630 -7.793 7.247 1.00 0.00 H new ATOM 0 H1' C A 12 1.836 -8.524 4.321 1.00 0.00 H new ATOM 0 H41 C A 12 3.105 -4.163 -0.441 1.00 0.00 H new ATOM 0 H42 C A 12 4.678 -4.686 0.171 1.00 0.00 H new ATOM 0 H5 C A 12 1.027 -4.832 0.589 1.00 0.00 H new ATOM 0 H6 C A 12 0.006 -6.146 2.362 1.00 0.00 H new ATOM 383 P C A 13 -0.559 -4.590 7.578 1.00 0.00 P ATOM 384 OP1 C A 13 -0.778 -4.738 9.039 1.00 0.00 O ATOM 385 OP2 C A 13 -1.442 -3.692 6.791 1.00 0.00 O ATOM 386 O5' C A 13 0.947 -4.125 7.345 1.00 0.00 O ATOM 387 C5' C A 13 2.017 -4.676 8.111 1.00 0.00 C ATOM 388 C4' C A 13 3.312 -3.984 7.759 1.00 0.00 C ATOM 389 O4' C A 13 3.679 -4.333 6.395 1.00 0.00 O ATOM 390 C3' C A 13 3.249 -2.464 7.768 1.00 0.00 C ATOM 391 O3' C A 13 3.496 -1.951 9.075 1.00 0.00 O ATOM 392 C2' C A 13 4.329 -2.078 6.764 1.00 0.00 C ATOM 393 O2' C A 13 5.621 -2.167 7.334 1.00 0.00 O ATOM 394 C1' C A 13 4.179 -3.189 5.724 1.00 0.00 C ATOM 395 N1 C A 13 3.259 -2.860 4.621 1.00 0.00 N ATOM 396 C2 C A 13 3.730 -2.086 3.554 1.00 0.00 C ATOM 397 O2 C A 13 4.903 -1.685 3.574 1.00 0.00 O ATOM 398 N3 C A 13 2.896 -1.795 2.531 1.00 0.00 N ATOM 399 C4 C A 13 1.639 -2.241 2.548 1.00 0.00 C ATOM 400 N4 C A 13 0.854 -1.939 1.511 1.00 0.00 N ATOM 401 C5 C A 13 1.129 -3.019 3.627 1.00 0.00 C ATOM 402 C6 C A 13 1.966 -3.303 4.632 1.00 0.00 C ATOM 0 H5' C A 13 2.102 -5.745 7.917 1.00 0.00 H new ATOM 0 H5'' C A 13 1.811 -4.561 9.175 1.00 0.00 H new ATOM 0 H4' C A 13 4.018 -4.313 8.522 1.00 0.00 H new ATOM 0 H3' C A 13 2.274 -2.056 7.502 1.00 0.00 H new ATOM 0 H2' C A 13 4.225 -1.059 6.391 1.00 0.00 H new ATOM 0 HO2' C A 13 5.545 -2.215 8.310 1.00 0.00 H new ATOM 0 H1' C A 13 5.158 -3.348 5.273 1.00 0.00 H new ATOM 0 H41 C A 13 -0.113 -2.264 1.491 1.00 0.00 H new ATOM 0 H42 C A 13 1.221 -1.383 0.738 1.00 0.00 H new ATOM 0 H5 C A 13 0.106 -3.366 3.634 1.00 0.00 H new ATOM 0 H6 C A 13 1.614 -3.892 5.466 1.00 0.00 H new ATOM 414 P C A 14 2.635 -0.709 9.629 1.00 0.00 P ATOM 415 OP1 C A 14 2.858 -0.646 11.096 1.00 0.00 O ATOM 416 OP2 C A 14 1.248 -0.797 9.103 1.00 0.00 O ATOM 417 O5' C A 14 3.337 0.561 8.974 1.00 0.00 O ATOM 418 C5' C A 14 4.741 0.769 9.112 1.00 0.00 C ATOM 419 C4' C A 14 5.203 1.850 8.166 1.00 0.00 C ATOM 420 O4' C A 14 5.234 1.322 6.812 1.00 0.00 O ATOM 421 C3' C A 14 4.301 3.070 8.074 1.00 0.00 C ATOM 422 O3' C A 14 4.573 3.976 9.143 1.00 0.00 O ATOM 423 C2' C A 14 4.656 3.617 6.697 1.00 0.00 C ATOM 424 O2' C A 14 5.905 4.284 6.714 1.00 0.00 O ATOM 425 C1' C A 14 4.803 2.319 5.901 1.00 0.00 C ATOM 426 N1 C A 14 3.554 1.858 5.267 1.00 0.00 N ATOM 427 C2 C A 14 3.258 2.282 3.967 1.00 0.00 C ATOM 428 O2 C A 14 4.048 3.040 3.386 1.00 0.00 O ATOM 429 N3 C A 14 2.119 1.858 3.377 1.00 0.00 N ATOM 430 C4 C A 14 1.289 1.046 4.035 1.00 0.00 C ATOM 431 N4 C A 14 0.178 0.652 3.410 1.00 0.00 N ATOM 432 C5 C A 14 1.562 0.601 5.360 1.00 0.00 C ATOM 433 C6 C A 14 2.695 1.028 5.933 1.00 0.00 C ATOM 0 H5' C A 14 5.275 -0.158 8.905 1.00 0.00 H new ATOM 0 H5'' C A 14 4.975 1.050 10.139 1.00 0.00 H new ATOM 0 H4' C A 14 6.169 2.155 8.568 1.00 0.00 H new ATOM 0 H3' C A 14 3.234 2.870 8.173 1.00 0.00 H new ATOM 0 H2' C A 14 3.931 4.334 6.312 1.00 0.00 H new ATOM 0 HO2' C A 14 6.158 4.481 7.640 1.00 0.00 H new ATOM 0 H1' C A 14 5.509 2.504 5.091 1.00 0.00 H new ATOM 0 H41 C A 14 -0.480 0.031 3.882 1.00 0.00 H new ATOM 0 H42 C A 14 -0.014 0.971 2.460 1.00 0.00 H new ATOM 0 H5 C A 14 0.882 -0.055 5.883 1.00 0.00 H new ATOM 0 H6 C A 14 2.934 0.712 6.938 1.00 0.00 H new ATOM 445 P C A 15 3.360 4.658 9.954 1.00 0.00 P ATOM 446 OP1 C A 15 3.881 5.003 11.301 1.00 0.00 O ATOM 447 OP2 C A 15 2.140 3.818 9.834 1.00 0.00 O ATOM 448 O5' C A 15 3.101 6.019 9.170 1.00 0.00 O ATOM 449 C5' C A 15 4.139 6.985 9.027 1.00 0.00 C ATOM 450 C4' C A 15 3.857 7.885 7.849 1.00 0.00 C ATOM 451 O4' C A 15 3.942 7.110 6.619 1.00 0.00 O ATOM 452 C3' C A 15 2.465 8.495 7.806 1.00 0.00 C ATOM 453 O3' C A 15 2.385 9.656 8.630 1.00 0.00 O ATOM 454 C2' C A 15 2.307 8.788 6.322 1.00 0.00 C ATOM 455 O2' C A 15 3.088 9.905 5.934 1.00 0.00 O ATOM 456 C1' C A 15 2.921 7.523 5.725 1.00 0.00 C ATOM 457 N1 C A 15 1.966 6.411 5.564 1.00 0.00 N ATOM 458 C2 C A 15 1.185 6.354 4.406 1.00 0.00 C ATOM 459 O2 C A 15 1.313 7.241 3.550 1.00 0.00 O ATOM 460 N3 C A 15 0.309 5.336 4.248 1.00 0.00 N ATOM 461 C4 C A 15 0.196 4.401 5.194 1.00 0.00 C ATOM 462 N4 C A 15 -0.679 3.414 4.995 1.00 0.00 N ATOM 463 C5 C A 15 0.975 4.436 6.386 1.00 0.00 C ATOM 464 C6 C A 15 1.840 5.448 6.527 1.00 0.00 C ATOM 0 H5' C A 15 5.096 6.483 8.889 1.00 0.00 H new ATOM 0 H5'' C A 15 4.220 7.580 9.937 1.00 0.00 H new ATOM 0 H4' C A 15 4.592 8.683 7.950 1.00 0.00 H new ATOM 0 H3' C A 15 1.670 7.858 8.195 1.00 0.00 H new ATOM 0 H2' C A 15 1.284 9.013 6.021 1.00 0.00 H new ATOM 0 HO2' C A 15 3.331 10.426 6.728 1.00 0.00 H new ATOM 0 H1' C A 15 3.283 7.761 4.725 1.00 0.00 H new ATOM 0 H41 C A 15 -0.791 2.683 5.697 1.00 0.00 H new ATOM 0 H42 C A 15 -1.236 3.391 4.141 1.00 0.00 H new ATOM 0 H5 C A 15 0.872 3.676 7.146 1.00 0.00 H new ATOM 0 H6 C A 15 2.449 5.505 7.417 1.00 0.00 H new ATOM 476 P G A 16 1.068 9.925 9.515 1.00 0.00 P ATOM 477 OP1 G A 16 1.455 10.869 10.593 1.00 0.00 O ATOM 478 OP2 G A 16 0.432 8.630 9.870 1.00 0.00 O ATOM 479 O5' G A 16 0.098 10.697 8.515 1.00 0.00 O ATOM 480 C5' G A 16 0.510 11.908 7.887 1.00 0.00 C ATOM 481 C4' G A 16 -0.293 12.144 6.631 1.00 0.00 C ATOM 482 O4' G A 16 -0.011 11.082 5.677 1.00 0.00 O ATOM 483 C3' G A 16 -1.803 12.115 6.795 1.00 0.00 C ATOM 484 O3' G A 16 -2.294 13.378 7.239 1.00 0.00 O ATOM 485 C2' G A 16 -2.262 11.752 5.388 1.00 0.00 C ATOM 486 O2' G A 16 -2.156 12.859 4.512 1.00 0.00 O ATOM 487 C1' G A 16 -1.203 10.721 5.002 1.00 0.00 C ATOM 488 N9 G A 16 -1.545 9.350 5.375 1.00 0.00 N ATOM 489 C8 G A 16 -1.110 8.658 6.479 1.00 0.00 C ATOM 490 N7 G A 16 -1.578 7.442 6.542 1.00 0.00 N ATOM 491 C5 G A 16 -2.374 7.324 5.411 1.00 0.00 C ATOM 492 C6 G A 16 -3.143 6.231 4.940 1.00 0.00 C ATOM 493 O6 G A 16 -3.275 5.108 5.439 1.00 0.00 O ATOM 494 N1 G A 16 -3.803 6.544 3.757 1.00 0.00 N ATOM 495 C2 G A 16 -3.727 7.748 3.106 1.00 0.00 C ATOM 496 N2 G A 16 -4.437 7.851 1.977 1.00 0.00 N ATOM 497 N3 G A 16 -3.011 8.774 3.530 1.00 0.00 N ATOM 498 C4 G A 16 -2.366 8.495 4.681 1.00 0.00 C ATOM 0 H5' G A 16 1.571 11.857 7.644 1.00 0.00 H new ATOM 0 H5'' G A 16 0.379 12.745 8.573 1.00 0.00 H new ATOM 0 H4' G A 16 0.003 13.145 6.316 1.00 0.00 H new ATOM 0 H3' G A 16 -2.168 11.417 7.549 1.00 0.00 H new ATOM 0 H2' G A 16 -3.298 11.417 5.338 1.00 0.00 H new ATOM 0 HO2' G A 16 -2.456 12.597 3.616 1.00 0.00 H new ATOM 0 H1' G A 16 -1.108 10.730 3.916 1.00 0.00 H new ATOM 0 H8 G A 16 -0.447 9.079 7.221 1.00 0.00 H new ATOM 0 H1 G A 16 -4.390 5.821 3.341 1.00 0.00 H new ATOM 0 H21 G A 16 -4.424 8.721 1.444 1.00 0.00 H new ATOM 0 H22 G A 16 -4.991 7.060 1.649 1.00 0.00 H new ATOM 510 P A A 17 -3.544 13.443 8.251 1.00 0.00 P ATOM 511 OP1 A A 17 -3.622 14.837 8.759 1.00 0.00 O ATOM 512 OP2 A A 17 -3.451 12.317 9.214 1.00 0.00 O ATOM 513 O5' A A 17 -4.805 13.193 7.309 1.00 0.00 O ATOM 514 C5' A A 17 -5.011 13.981 6.138 1.00 0.00 C ATOM 515 C4' A A 17 -5.896 13.242 5.163 1.00 0.00 C ATOM 516 O4' A A 17 -5.229 12.017 4.761 1.00 0.00 O ATOM 517 C3' A A 17 -7.235 12.778 5.716 1.00 0.00 C ATOM 518 O3' A A 17 -8.227 13.811 5.661 1.00 0.00 O ATOM 519 C2' A A 17 -7.573 11.592 4.819 1.00 0.00 C ATOM 520 O2' A A 17 -8.117 12.019 3.583 1.00 0.00 O ATOM 521 C1' A A 17 -6.187 10.996 4.558 1.00 0.00 C ATOM 522 N9 A A 17 -5.858 9.872 5.434 1.00 0.00 N ATOM 523 C8 A A 17 -5.041 9.864 6.539 1.00 0.00 C ATOM 524 N7 A A 17 -4.951 8.693 7.121 1.00 0.00 N ATOM 525 C5 A A 17 -5.761 7.873 6.347 1.00 0.00 C ATOM 526 C6 A A 17 -6.090 6.507 6.436 1.00 0.00 C ATOM 527 N6 A A 17 -5.626 5.692 7.384 1.00 0.00 N ATOM 528 N1 A A 17 -6.924 6.000 5.503 1.00 0.00 N ATOM 529 C2 A A 17 -7.392 6.816 4.551 1.00 0.00 C ATOM 530 N3 A A 17 -7.157 8.112 4.361 1.00 0.00 N ATOM 531 C4 A A 17 -6.324 8.585 5.304 1.00 0.00 C ATOM 0 H5' A A 17 -4.053 14.209 5.671 1.00 0.00 H new ATOM 0 H5'' A A 17 -5.469 14.933 6.407 1.00 0.00 H new ATOM 0 H4' A A 17 -6.076 13.961 4.364 1.00 0.00 H new ATOM 0 H3' A A 17 -7.199 12.513 6.773 1.00 0.00 H new ATOM 0 H2' A A 17 -8.302 10.915 5.265 1.00 0.00 H new ATOM 0 HO2' A A 17 -8.420 12.948 3.662 1.00 0.00 H new ATOM 0 HO3' A A 17 -9.072 13.473 6.024 1.00 0.00 H new ATOM 0 H1' A A 17 -6.184 10.613 3.537 1.00 0.00 H new ATOM 0 H8 A A 17 -4.521 10.741 6.895 1.00 0.00 H new ATOM 0 H61 A A 17 -5.903 4.710 7.393 1.00 0.00 H new ATOM 0 H62 A A 17 -4.994 6.050 8.100 1.00 0.00 H new ATOM 0 H2 A A 17 -8.056 6.357 3.834 1.00 0.00 H new TER 544 A A 17