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 -138:sc= 0.0912 USER MOD Single : A 2 C O2' : rot -22:sc= 0.106 USER MOD Single : A 3 G O2' : rot -125:sc= 0.673 USER MOD Single : A 4 G O2' : rot -24:sc= 0.0802 USER MOD Single : A 5 G O2' : rot -25:sc= 0.0207 USER MOD Single : A 6 C O2' : rot -21:sc= 0.139 USER MOD Single : A 7 C O2' : rot -127:sc= 0.652 USER MOD Single : A 8 RSQ O2' : rot -132:sc= 0.0231 USER MOD Single : A 9 A O2' : rot -25:sc= 0.0803 USER MOD Single : A 10 U O2' : rot 31:sc= -0.172 USER MOD Single : A 11 A O2' : rot -24:sc= 0.0521 USER MOD Single : A 12 C O2' : rot -17:sc= 0.129 USER MOD Single : A 13 C O2' : rot 180:sc= -0.59 USER MOD Single : A 14 C O2' : rot -107:sc= 0.0438 USER MOD Single : A 15 C O2' : rot -18:sc= 0.0462 USER MOD Single : A 16 G O2' : rot -19:sc= 0.0689 USER MOD Single : A 17 A O2' : rot -21:sc= 0.0808 USER MOD Single : A 17 A O3' : rot 180:sc= 0.0913 USER MOD ----------------------------------------------------------------- HETATM 1 N1 PSU A 1 -7.530 0.035 6.775 1.00 0.00 N HETATM 2 C2 PSU A 1 -7.593 1.252 7.417 1.00 0.00 C HETATM 3 N3 PSU A 1 -8.799 1.896 7.320 1.00 0.00 N HETATM 4 C4 PSU A 1 -9.923 1.455 6.661 1.00 0.00 C HETATM 5 C5 PSU A 1 -9.778 0.184 6.019 1.00 0.00 C HETATM 6 C6 PSU A 1 -8.613 -0.472 6.095 1.00 0.00 C HETATM 7 O2 PSU A 1 -6.651 1.729 8.019 1.00 0.00 O HETATM 8 O4 PSU A 1 -10.935 2.154 6.667 1.00 0.00 O HETATM 9 C1' PSU A 1 -10.930 -0.357 5.294 1.00 0.00 C HETATM 10 C2' PSU A 1 -11.274 0.411 4.017 1.00 0.00 C HETATM 11 O2' PSU A 1 -12.677 0.362 3.833 1.00 0.00 O HETATM 12 C3' PSU A 1 -10.544 -0.411 2.960 1.00 0.00 C HETATM 13 C4' PSU A 1 -10.691 -1.833 3.484 1.00 0.00 C HETATM 14 O3' PSU A 1 -11.131 -0.270 1.667 1.00 0.00 O HETATM 15 O4' PSU A 1 -10.640 -1.695 4.929 1.00 0.00 O HETATM 16 C5' PSU A 1 -9.619 -2.806 3.046 1.00 0.00 C HETATM 17 O5' PSU A 1 -8.375 -2.542 3.706 1.00 0.00 O HETATM 0 HO2' PSU A 1 -12.878 0.207 2.886 1.00 0.00 H new HETATM 0 H5'' PSU A 1 -9.939 -3.825 3.263 1.00 0.00 H new HETATM 0 HN3 PSU A 1 -8.871 2.800 7.787 1.00 0.00 H new HETATM 0 HN1 PSU A 1 -6.663 -0.501 6.804 1.00 0.00 H new HETATM 0 H6 PSU A 1 -8.520 -1.440 5.602 1.00 0.00 H new HETATM 0 H5' PSU A 1 -9.482 -2.738 1.967 1.00 0.00 H new HETATM 0 H4' PSU A 1 -11.614 -2.256 3.087 1.00 0.00 H new HETATM 0 H3' PSU A 1 -9.508 -0.100 2.822 1.00 0.00 H new HETATM 0 H2' PSU A 1 -10.993 1.464 4.005 1.00 0.00 H new HETATM 0 H1' PSU A 1 -11.787 -0.276 5.962 1.00 0.00 H new ATOM 28 P C A 2 -10.199 0.021 0.386 1.00 0.00 P ATOM 29 OP1 C A 2 -10.929 -0.488 -0.803 1.00 0.00 O ATOM 30 OP2 C A 2 -8.821 -0.462 0.659 1.00 0.00 O ATOM 31 O5' C A 2 -10.151 1.611 0.292 1.00 0.00 O ATOM 32 C5' C A 2 -11.280 2.358 -0.162 1.00 0.00 C ATOM 33 C4' C A 2 -10.850 3.744 -0.580 1.00 0.00 C ATOM 34 O4' C A 2 -10.673 4.550 0.616 1.00 0.00 O ATOM 35 C3' C A 2 -9.520 3.812 -1.321 1.00 0.00 C ATOM 36 O3' C A 2 -9.722 3.704 -2.730 1.00 0.00 O ATOM 37 C2' C A 2 -8.962 5.172 -0.914 1.00 0.00 C ATOM 38 O2' C A 2 -9.529 6.211 -1.690 1.00 0.00 O ATOM 39 C1' C A 2 -9.478 5.301 0.520 1.00 0.00 C ATOM 40 N1 C A 2 -8.543 4.815 1.550 1.00 0.00 N ATOM 41 C2 C A 2 -7.465 5.624 1.920 1.00 0.00 C ATOM 42 O2 C A 2 -7.314 6.718 1.356 1.00 0.00 O ATOM 43 N3 C A 2 -6.614 5.195 2.879 1.00 0.00 N ATOM 44 C4 C A 2 -6.806 4.009 3.459 1.00 0.00 C ATOM 45 N4 C A 2 -5.948 3.631 4.408 1.00 0.00 N ATOM 46 C5 C A 2 -7.889 3.158 3.094 1.00 0.00 C ATOM 47 C6 C A 2 -8.726 3.597 2.145 1.00 0.00 C ATOM 0 H5' C A 2 -12.025 2.423 0.631 1.00 0.00 H new ATOM 0 H5'' C A 2 -11.751 1.846 -1.001 1.00 0.00 H new ATOM 0 H4' C A 2 -11.631 4.094 -1.255 1.00 0.00 H new ATOM 0 H3' C A 2 -8.837 2.999 -1.074 1.00 0.00 H new ATOM 0 H2' C A 2 -7.881 5.244 -1.034 1.00 0.00 H new ATOM 0 HO2' C A 2 -9.870 5.842 -2.532 1.00 0.00 H new ATOM 0 H1' C A 2 -9.621 6.364 0.712 1.00 0.00 H new ATOM 0 H41 C A 2 -6.065 2.730 4.872 1.00 0.00 H new ATOM 0 H42 C A 2 -5.175 4.243 4.669 1.00 0.00 H new ATOM 0 H5 C A 2 -8.030 2.196 3.564 1.00 0.00 H new ATOM 0 H6 C A 2 -9.559 2.979 1.845 1.00 0.00 H new ATOM 59 P G A 3 -8.689 2.859 -3.630 1.00 0.00 P ATOM 60 OP1 G A 3 -9.261 2.756 -4.998 1.00 0.00 O ATOM 61 OP2 G A 3 -8.335 1.621 -2.890 1.00 0.00 O ATOM 62 O5' G A 3 -7.397 3.787 -3.703 1.00 0.00 O ATOM 63 C5' G A 3 -7.431 5.032 -4.398 1.00 0.00 C ATOM 64 C4' G A 3 -6.166 5.815 -4.136 1.00 0.00 C ATOM 65 O4' G A 3 -6.110 6.184 -2.734 1.00 0.00 O ATOM 66 C3' G A 3 -4.863 5.064 -4.360 1.00 0.00 C ATOM 67 O3' G A 3 -4.498 5.031 -5.738 1.00 0.00 O ATOM 68 C2' G A 3 -3.882 5.867 -3.513 1.00 0.00 C ATOM 69 O2' G A 3 -3.487 7.058 -4.169 1.00 0.00 O ATOM 70 C1' G A 3 -4.757 6.243 -2.316 1.00 0.00 C ATOM 71 N9 G A 3 -4.586 5.356 -1.170 1.00 0.00 N ATOM 72 C8 G A 3 -5.288 4.208 -0.892 1.00 0.00 C ATOM 73 N7 G A 3 -4.905 3.625 0.211 1.00 0.00 N ATOM 74 C5 G A 3 -3.885 4.437 0.690 1.00 0.00 C ATOM 75 C6 G A 3 -3.083 4.317 1.854 1.00 0.00 C ATOM 76 O6 G A 3 -3.112 3.439 2.724 1.00 0.00 O ATOM 77 N1 G A 3 -2.171 5.362 1.957 1.00 0.00 N ATOM 78 C2 G A 3 -2.046 6.389 1.058 1.00 0.00 C ATOM 79 N2 G A 3 -1.110 7.304 1.336 1.00 0.00 N ATOM 80 N3 G A 3 -2.783 6.513 -0.031 1.00 0.00 N ATOM 81 C4 G A 3 -3.677 5.510 -0.151 1.00 0.00 C ATOM 0 H5' G A 3 -8.298 5.611 -4.078 1.00 0.00 H new ATOM 0 H5'' G A 3 -7.542 4.856 -5.468 1.00 0.00 H new ATOM 0 H4' G A 3 -6.230 6.643 -4.842 1.00 0.00 H new ATOM 0 H3' G A 3 -4.908 4.011 -4.082 1.00 0.00 H new ATOM 0 H2' G A 3 -2.968 5.320 -3.282 1.00 0.00 H new ATOM 0 HO2' G A 3 -2.509 7.093 -4.223 1.00 0.00 H new ATOM 0 H1' G A 3 -4.461 7.240 -1.991 1.00 0.00 H new ATOM 0 H8 G A 3 -6.077 3.827 -1.523 1.00 0.00 H new ATOM 0 H1 G A 3 -1.547 5.364 2.764 1.00 0.00 H new ATOM 0 H21 G A 3 -0.966 8.094 0.707 1.00 0.00 H new ATOM 0 H22 G A 3 -0.540 7.212 2.177 1.00 0.00 H new ATOM 93 P G A 4 -3.412 3.961 -6.253 1.00 0.00 P ATOM 94 OP1 G A 4 -3.349 4.037 -7.735 1.00 0.00 O ATOM 95 OP2 G A 4 -3.717 2.662 -5.600 1.00 0.00 O ATOM 96 O5' G A 4 -2.028 4.492 -5.663 1.00 0.00 O ATOM 97 C5' G A 4 -1.362 5.613 -6.242 1.00 0.00 C ATOM 98 C4' G A 4 -0.294 6.132 -5.303 1.00 0.00 C ATOM 99 O4' G A 4 -0.823 6.155 -3.950 1.00 0.00 O ATOM 100 C3' G A 4 0.965 5.282 -5.200 1.00 0.00 C ATOM 101 O3' G A 4 1.889 5.593 -6.243 1.00 0.00 O ATOM 102 C2' G A 4 1.500 5.652 -3.820 1.00 0.00 C ATOM 103 O2' G A 4 2.189 6.888 -3.850 1.00 0.00 O ATOM 104 C1' G A 4 0.204 5.837 -3.029 1.00 0.00 C ATOM 105 N9 G A 4 -0.200 4.650 -2.281 1.00 0.00 N ATOM 106 C8 G A 4 -1.049 3.655 -2.700 1.00 0.00 C ATOM 107 N7 G A 4 -1.222 2.716 -1.811 1.00 0.00 N ATOM 108 C5 G A 4 -0.438 3.115 -0.736 1.00 0.00 C ATOM 109 C6 G A 4 -0.220 2.497 0.524 1.00 0.00 C ATOM 110 O6 G A 4 -0.696 1.442 0.960 1.00 0.00 O ATOM 111 N1 G A 4 0.651 3.240 1.312 1.00 0.00 N ATOM 112 C2 G A 4 1.236 4.423 0.943 1.00 0.00 C ATOM 113 N2 G A 4 2.047 4.984 1.846 1.00 0.00 N ATOM 114 N3 G A 4 1.040 5.013 -0.224 1.00 0.00 N ATOM 115 C4 G A 4 0.199 4.307 -1.010 1.00 0.00 C ATOM 0 H5' G A 4 -2.083 6.402 -6.456 1.00 0.00 H new ATOM 0 H5'' G A 4 -0.912 5.326 -7.193 1.00 0.00 H new ATOM 0 H4' G A 4 -0.028 7.104 -5.719 1.00 0.00 H new ATOM 0 H3' G A 4 0.786 4.213 -5.312 1.00 0.00 H new ATOM 0 H2' G A 4 2.197 4.916 -3.420 1.00 0.00 H new ATOM 0 HO2' G A 4 2.517 7.058 -4.758 1.00 0.00 H new ATOM 0 H1' G A 4 0.377 6.627 -2.299 1.00 0.00 H new ATOM 0 H8 G A 4 -1.526 3.650 -3.669 1.00 0.00 H new ATOM 0 H1 G A 4 0.872 2.876 2.239 1.00 0.00 H new ATOM 0 H21 G A 4 2.514 5.866 1.634 1.00 0.00 H new ATOM 0 H22 G A 4 2.198 4.530 2.747 1.00 0.00 H new ATOM 127 P G A 5 2.924 4.474 -6.765 1.00 0.00 P ATOM 128 OP1 G A 5 3.611 5.048 -7.951 1.00 0.00 O ATOM 129 OP2 G A 5 2.212 3.177 -6.889 1.00 0.00 O ATOM 130 O5' G A 5 3.991 4.348 -5.587 1.00 0.00 O ATOM 131 C5' G A 5 4.945 5.382 -5.348 1.00 0.00 C ATOM 132 C4' G A 5 6.090 4.860 -4.507 1.00 0.00 C ATOM 133 O4' G A 5 5.709 4.902 -3.099 1.00 0.00 O ATOM 134 C3' G A 5 6.487 3.407 -4.732 1.00 0.00 C ATOM 135 O3' G A 5 7.350 3.238 -5.852 1.00 0.00 O ATOM 136 C2' G A 5 7.161 3.077 -3.410 1.00 0.00 C ATOM 137 O2' G A 5 8.418 3.719 -3.288 1.00 0.00 O ATOM 138 C1' G A 5 6.182 3.734 -2.444 1.00 0.00 C ATOM 139 N9 G A 5 5.031 2.899 -2.106 1.00 0.00 N ATOM 140 C8 G A 5 3.821 2.858 -2.759 1.00 0.00 C ATOM 141 N7 G A 5 2.967 2.031 -2.217 1.00 0.00 N ATOM 142 C5 G A 5 3.658 1.483 -1.142 1.00 0.00 C ATOM 143 C6 G A 5 3.251 0.518 -0.181 1.00 0.00 C ATOM 144 O6 G A 5 2.163 -0.061 -0.080 1.00 0.00 O ATOM 145 N1 G A 5 4.265 0.244 0.730 1.00 0.00 N ATOM 146 C2 G A 5 5.511 0.819 0.720 1.00 0.00 C ATOM 147 N2 G A 5 6.347 0.419 1.685 1.00 0.00 N ATOM 148 N3 G A 5 5.908 1.718 -0.168 1.00 0.00 N ATOM 149 C4 G A 5 4.937 2.003 -1.063 1.00 0.00 C ATOM 0 H5' G A 5 4.465 6.218 -4.840 1.00 0.00 H new ATOM 0 H5'' G A 5 5.325 5.761 -6.297 1.00 0.00 H new ATOM 0 H4' G A 5 6.924 5.500 -4.795 1.00 0.00 H new ATOM 0 H3' G A 5 5.651 2.752 -4.977 1.00 0.00 H new ATOM 0 H2' G A 5 7.353 2.014 -3.265 1.00 0.00 H new ATOM 0 HO2' G A 5 8.777 3.907 -4.180 1.00 0.00 H new ATOM 0 H1' G A 5 6.701 3.929 -1.506 1.00 0.00 H new ATOM 0 H8 G A 5 3.599 3.451 -3.634 1.00 0.00 H new ATOM 0 H1 G A 5 4.067 -0.437 1.463 1.00 0.00 H new ATOM 0 H21 G A 5 7.289 0.806 1.736 1.00 0.00 H new ATOM 0 H22 G A 5 6.042 -0.273 2.369 1.00 0.00 H new ATOM 161 P C A 6 7.318 1.860 -6.682 1.00 0.00 P ATOM 162 OP1 C A 6 8.355 1.961 -7.741 1.00 0.00 O ATOM 163 OP2 C A 6 5.913 1.556 -7.059 1.00 0.00 O ATOM 164 O5' C A 6 7.791 0.761 -5.629 1.00 0.00 O ATOM 165 C5' C A 6 9.112 0.779 -5.089 1.00 0.00 C ATOM 166 C4' C A 6 9.247 -0.264 -4.003 1.00 0.00 C ATOM 167 O4' C A 6 8.243 -0.031 -2.981 1.00 0.00 O ATOM 168 C3' C A 6 8.994 -1.697 -4.442 1.00 0.00 C ATOM 169 O3' C A 6 10.155 -2.272 -5.033 1.00 0.00 O ATOM 170 C2' C A 6 8.607 -2.384 -3.136 1.00 0.00 C ATOM 171 O2' C A 6 9.754 -2.717 -2.376 1.00 0.00 O ATOM 172 C1' C A 6 7.851 -1.268 -2.409 1.00 0.00 C ATOM 173 N1 C A 6 6.384 -1.383 -2.504 1.00 0.00 N ATOM 174 C2 C A 6 5.751 -2.503 -1.953 1.00 0.00 C ATOM 175 O2 C A 6 6.438 -3.370 -1.395 1.00 0.00 O ATOM 176 N3 C A 6 4.407 -2.610 -2.044 1.00 0.00 N ATOM 177 C4 C A 6 3.702 -1.650 -2.642 1.00 0.00 C ATOM 178 N4 C A 6 2.382 -1.796 -2.710 1.00 0.00 N ATOM 179 C5 C A 6 4.320 -0.496 -3.197 1.00 0.00 C ATOM 180 C6 C A 6 5.646 -0.408 -3.113 1.00 0.00 C ATOM 0 H5' C A 6 9.334 1.767 -4.684 1.00 0.00 H new ATOM 0 H5'' C A 6 9.838 0.588 -5.879 1.00 0.00 H new ATOM 0 H4' C A 6 10.281 -0.163 -3.672 1.00 0.00 H new ATOM 0 H3' C A 6 8.227 -1.790 -5.211 1.00 0.00 H new ATOM 0 H2' C A 6 8.049 -3.308 -3.288 1.00 0.00 H new ATOM 0 HO2' C A 6 10.538 -2.750 -2.964 1.00 0.00 H new ATOM 0 H1' C A 6 8.103 -1.342 -1.351 1.00 0.00 H new ATOM 0 H41 C A 6 1.812 -1.080 -3.161 1.00 0.00 H new ATOM 0 H42 C A 6 1.939 -2.624 -2.311 1.00 0.00 H new ATOM 0 H5 C A 6 3.736 0.280 -3.669 1.00 0.00 H new ATOM 0 H6 C A 6 6.148 0.451 -3.534 1.00 0.00 H new ATOM 192 P C A 7 10.008 -3.227 -6.318 1.00 0.00 P ATOM 193 OP1 C A 7 11.255 -4.030 -6.416 1.00 0.00 O ATOM 194 OP2 C A 7 9.579 -2.395 -7.471 1.00 0.00 O ATOM 195 O5' C A 7 8.807 -4.205 -5.939 1.00 0.00 O ATOM 196 C5' C A 7 8.976 -5.250 -4.981 1.00 0.00 C ATOM 197 C4' C A 7 7.662 -5.964 -4.750 1.00 0.00 C ATOM 198 O4' C A 7 6.708 -5.025 -4.187 1.00 0.00 O ATOM 199 C3' C A 7 6.996 -6.505 -6.009 1.00 0.00 C ATOM 200 O3' C A 7 7.422 -7.835 -6.295 1.00 0.00 O ATOM 201 C2' C A 7 5.508 -6.453 -5.676 1.00 0.00 C ATOM 202 O2' C A 7 5.114 -7.596 -4.943 1.00 0.00 O ATOM 203 C1' C A 7 5.427 -5.240 -4.749 1.00 0.00 C ATOM 204 N1 C A 7 5.003 -3.996 -5.414 1.00 0.00 N ATOM 205 C2 C A 7 3.643 -3.678 -5.444 1.00 0.00 C ATOM 206 O2 C A 7 2.835 -4.454 -4.913 1.00 0.00 O ATOM 207 N3 C A 7 3.244 -2.537 -6.050 1.00 0.00 N ATOM 208 C4 C A 7 4.146 -1.730 -6.611 1.00 0.00 C ATOM 209 N4 C A 7 3.706 -0.615 -7.195 1.00 0.00 N ATOM 210 C5 C A 7 5.539 -2.029 -6.596 1.00 0.00 C ATOM 211 C6 C A 7 5.919 -3.161 -5.990 1.00 0.00 C ATOM 0 H5' C A 7 9.344 -4.836 -4.042 1.00 0.00 H new ATOM 0 H5'' C A 7 9.726 -5.958 -5.333 1.00 0.00 H new ATOM 0 H4' C A 7 7.910 -6.803 -4.100 1.00 0.00 H new ATOM 0 H3' C A 7 7.249 -5.931 -6.900 1.00 0.00 H new ATOM 0 H2' C A 7 4.878 -6.405 -6.564 1.00 0.00 H new ATOM 0 HO2' C A 7 4.346 -8.017 -5.382 1.00 0.00 H new ATOM 0 H1' C A 7 4.668 -5.470 -4.001 1.00 0.00 H new ATOM 0 H41 C A 7 4.367 0.026 -7.634 1.00 0.00 H new ATOM 0 H42 C A 7 2.708 -0.403 -7.203 1.00 0.00 H new ATOM 0 H5 C A 7 6.260 -1.369 -7.055 1.00 0.00 H new ATOM 0 H6 C A 7 6.967 -3.419 -5.956 1.00 0.00 H new HETATM 223 P RSQ A 8 8.091 -8.176 -7.719 1.00 0.00 P HETATM 224 N1 RSQ A 8 4.778 -12.956 -7.847 1.00 0.00 N HETATM 225 C2 RSQ A 8 3.772 -13.905 -7.669 1.00 0.00 C HETATM 226 O2 RSQ A 8 3.177 -14.343 -8.663 1.00 0.00 O HETATM 227 N3 RSQ A 8 3.471 -14.321 -6.420 1.00 0.00 N HETATM 228 C4 RSQ A 8 4.134 -13.828 -5.376 1.00 0.00 C HETATM 229 N4 RSQ A 8 3.801 -14.274 -4.172 1.00 0.00 N HETATM 230 C5 RSQ A 8 5.167 -12.857 -5.522 1.00 0.00 C HETATM 231 C6 RSQ A 8 5.448 -12.450 -6.769 1.00 0.00 C HETATM 232 C1' RSQ A 8 5.110 -12.524 -9.214 1.00 0.00 C HETATM 233 C10 RSQ A 8 5.925 -12.293 -4.416 1.00 0.00 C HETATM 234 C2' RSQ A 8 4.336 -11.289 -9.682 1.00 0.00 C HETATM 235 O2' RSQ A 8 3.954 -11.492 -11.030 1.00 0.00 O HETATM 236 C3' RSQ A 8 5.388 -10.186 -9.567 1.00 0.00 C HETATM 237 O3' RSQ A 8 5.174 -9.140 -10.512 1.00 0.00 O HETATM 238 O30 RSQ A 8 5.784 -12.564 -3.258 1.00 0.00 O HETATM 239 C4' RSQ A 8 6.691 -10.921 -9.847 1.00 0.00 C HETATM 240 O4' RSQ A 8 6.492 -12.230 -9.261 1.00 0.00 O HETATM 241 C5' RSQ A 8 7.938 -10.307 -9.252 1.00 0.00 C HETATM 242 O5' RSQ A 8 7.634 -9.675 -8.010 1.00 0.00 O HETATM 243 OP1 RSQ A 8 7.472 -7.307 -8.751 1.00 0.00 O HETATM 244 OP2 RSQ A 8 9.565 -8.167 -7.543 1.00 0.00 O HETATM 0 HO2' RSQ A 8 4.180 -10.697 -11.557 1.00 0.00 H new HETATM 0 HN4A RSQ A 8 4.285 -13.922 -3.346 1.00 0.00 H new HETATM 0 H5'A RSQ A 8 8.694 -11.077 -9.100 1.00 0.00 H new HETATM 0 HN4 RSQ A 8 3.061 -14.969 -4.072 1.00 0.00 H new HETATM 0 H6 RSQ A 8 6.225 -11.702 -6.925 1.00 0.00 H new HETATM 0 H5' RSQ A 8 8.359 -9.579 -9.945 1.00 0.00 H new HETATM 0 H4' RSQ A 8 6.876 -10.905 -10.921 1.00 0.00 H new HETATM 0 H3' RSQ A 8 5.369 -9.690 -8.596 1.00 0.00 H new HETATM 0 H2' RSQ A 8 3.429 -11.065 -9.121 1.00 0.00 H new HETATM 0 H10 RSQ A 8 6.690 -11.557 -4.663 1.00 0.00 H new HETATM 0 H1' RSQ A 8 4.831 -13.340 -9.881 1.00 0.00 H new ATOM 256 P A A 9 4.097 -7.985 -10.200 1.00 0.00 P ATOM 257 OP1 A A 9 3.672 -7.424 -11.510 1.00 0.00 O ATOM 258 OP2 A A 9 4.664 -7.082 -9.167 1.00 0.00 O ATOM 259 O5' A A 9 2.871 -8.767 -9.547 1.00 0.00 O ATOM 260 C5' A A 9 1.763 -9.213 -10.332 1.00 0.00 C ATOM 261 C4' A A 9 0.476 -9.006 -9.570 1.00 0.00 C ATOM 262 O4' A A 9 0.324 -10.077 -8.598 1.00 0.00 O ATOM 263 C3' A A 9 0.428 -7.732 -8.744 1.00 0.00 C ATOM 264 O3' A A 9 -0.025 -6.625 -9.516 1.00 0.00 O ATOM 265 C2' A A 9 -0.542 -8.098 -7.626 1.00 0.00 C ATOM 266 O2' A A 9 -1.884 -8.052 -8.072 1.00 0.00 O ATOM 267 C1' A A 9 -0.161 -9.555 -7.371 1.00 0.00 C ATOM 268 N9 A A 9 0.886 -9.710 -6.362 1.00 0.00 N ATOM 269 C8 A A 9 2.178 -9.259 -6.439 1.00 0.00 C ATOM 270 N7 A A 9 2.913 -9.580 -5.403 1.00 0.00 N ATOM 271 C5 A A 9 2.036 -10.259 -4.570 1.00 0.00 C ATOM 272 C6 A A 9 2.200 -10.854 -3.306 1.00 0.00 C ATOM 273 N6 A A 9 3.356 -10.885 -2.644 1.00 0.00 N ATOM 274 N1 A A 9 1.121 -11.436 -2.742 1.00 0.00 N ATOM 275 C2 A A 9 -0.036 -11.423 -3.411 1.00 0.00 C ATOM 276 N3 A A 9 -0.313 -10.909 -4.609 1.00 0.00 N ATOM 277 C4 A A 9 0.779 -10.334 -5.142 1.00 0.00 C ATOM 0 H5' A A 9 1.883 -10.268 -10.580 1.00 0.00 H new ATOM 0 H5'' A A 9 1.730 -8.666 -11.274 1.00 0.00 H new ATOM 0 H4' A A 9 -0.299 -8.968 -10.336 1.00 0.00 H new ATOM 0 H3' A A 9 1.402 -7.414 -8.372 1.00 0.00 H new ATOM 0 H2' A A 9 -0.481 -7.432 -6.765 1.00 0.00 H new ATOM 0 HO2' A A 9 -1.956 -7.436 -8.831 1.00 0.00 H new ATOM 0 H1' A A 9 -1.042 -10.078 -6.999 1.00 0.00 H new ATOM 0 H8 A A 9 2.555 -8.691 -7.277 1.00 0.00 H new ATOM 0 H61 A A 9 3.408 -11.333 -1.729 1.00 0.00 H new ATOM 0 H62 A A 9 4.189 -10.461 -3.052 1.00 0.00 H new ATOM 0 H2 A A 9 -0.866 -11.897 -2.908 1.00 0.00 H new ATOM 289 P U A 10 0.287 -5.129 -9.020 1.00 0.00 P ATOM 290 OP1 U A 10 -0.401 -4.186 -9.938 1.00 0.00 O ATOM 291 OP2 U A 10 1.758 -5.029 -8.838 1.00 0.00 O ATOM 292 O5' U A 10 -0.429 -5.039 -7.597 1.00 0.00 O ATOM 293 C5' U A 10 0.293 -4.673 -6.419 1.00 0.00 C ATOM 294 C4' U A 10 -0.395 -3.523 -5.716 1.00 0.00 C ATOM 295 O4' U A 10 -1.226 -2.820 -6.681 1.00 0.00 O ATOM 296 C3' U A 10 -1.322 -3.917 -4.567 1.00 0.00 C ATOM 297 O3' U A 10 -1.233 -2.992 -3.488 1.00 0.00 O ATOM 298 C2' U A 10 -2.708 -3.923 -5.206 1.00 0.00 C ATOM 299 O2' U A 10 -3.703 -3.540 -4.276 1.00 0.00 O ATOM 300 C1' U A 10 -2.569 -2.817 -6.249 1.00 0.00 C ATOM 301 N1 U A 10 -3.433 -3.015 -7.421 1.00 0.00 N ATOM 302 C2 U A 10 -4.444 -2.097 -7.641 1.00 0.00 C ATOM 303 O2 U A 10 -4.643 -1.141 -6.913 1.00 0.00 O ATOM 304 N3 U A 10 -5.215 -2.341 -8.749 1.00 0.00 N ATOM 305 C4 U A 10 -5.084 -3.385 -9.637 1.00 0.00 C ATOM 306 O4 U A 10 -5.866 -3.474 -10.584 1.00 0.00 O ATOM 307 C5 U A 10 -4.017 -4.290 -9.340 1.00 0.00 C ATOM 308 C6 U A 10 -3.245 -4.084 -8.268 1.00 0.00 C ATOM 0 H5' U A 10 1.312 -4.390 -6.682 1.00 0.00 H new ATOM 0 H5'' U A 10 0.364 -5.529 -5.747 1.00 0.00 H new ATOM 0 H4' U A 10 0.414 -2.925 -5.296 1.00 0.00 H new ATOM 0 H3' U A 10 -1.067 -4.881 -4.126 1.00 0.00 H new ATOM 0 H2' U A 10 -2.998 -4.901 -5.590 1.00 0.00 H new ATOM 0 HO2' U A 10 -3.319 -2.917 -3.624 1.00 0.00 H new ATOM 0 H1' U A 10 -2.867 -1.875 -5.789 1.00 0.00 H new ATOM 0 H3 U A 10 -5.967 -1.677 -8.935 1.00 0.00 H new ATOM 0 H5 U A 10 -3.835 -5.140 -9.982 1.00 0.00 H new ATOM 0 H6 U A 10 -2.446 -4.780 -8.059 1.00 0.00 H new ATOM 319 P A A 11 -0.678 -3.481 -2.061 1.00 0.00 P ATOM 320 OP1 A A 11 -0.987 -2.435 -1.054 1.00 0.00 O ATOM 321 OP2 A A 11 0.727 -3.919 -2.255 1.00 0.00 O ATOM 322 O5' A A 11 -1.543 -4.778 -1.728 1.00 0.00 O ATOM 323 C5' A A 11 -2.895 -4.678 -1.281 1.00 0.00 C ATOM 324 C4' A A 11 -3.300 -5.946 -0.562 1.00 0.00 C ATOM 325 O4' A A 11 -3.055 -7.090 -1.441 1.00 0.00 O ATOM 326 C3' A A 11 -2.511 -6.252 0.711 1.00 0.00 C ATOM 327 O3' A A 11 -3.114 -5.704 1.879 1.00 0.00 O ATOM 328 C2' A A 11 -2.510 -7.771 0.734 1.00 0.00 C ATOM 329 O2' A A 11 -3.770 -8.286 1.124 1.00 0.00 O ATOM 330 C1' A A 11 -2.294 -8.059 -0.745 1.00 0.00 C ATOM 331 N9 A A 11 -0.899 -7.947 -1.172 1.00 0.00 N ATOM 332 C8 A A 11 -0.399 -7.227 -2.229 1.00 0.00 C ATOM 333 N7 A A 11 0.903 -7.302 -2.351 1.00 0.00 N ATOM 334 C5 A A 11 1.287 -8.136 -1.311 1.00 0.00 C ATOM 335 C6 A A 11 2.542 -8.606 -0.890 1.00 0.00 C ATOM 336 N6 A A 11 3.692 -8.279 -1.483 1.00 0.00 N ATOM 337 N1 A A 11 2.578 -9.427 0.181 1.00 0.00 N ATOM 338 C2 A A 11 1.426 -9.739 0.788 1.00 0.00 C ATOM 339 N3 A A 11 0.186 -9.363 0.486 1.00 0.00 N ATOM 340 C4 A A 11 0.186 -8.551 -0.585 1.00 0.00 C ATOM 0 H5' A A 11 -3.555 -4.506 -2.131 1.00 0.00 H new ATOM 0 H5'' A A 11 -3.004 -3.822 -0.615 1.00 0.00 H new ATOM 0 H4' A A 11 -4.345 -5.788 -0.295 1.00 0.00 H new ATOM 0 H3' A A 11 -1.514 -5.811 0.708 1.00 0.00 H new ATOM 0 H2' A A 11 -1.785 -8.204 1.423 1.00 0.00 H new ATOM 0 HO2' A A 11 -4.249 -7.614 1.652 1.00 0.00 H new ATOM 0 H1' A A 11 -2.590 -9.088 -0.948 1.00 0.00 H new ATOM 0 H8 A A 11 -1.022 -6.652 -2.898 1.00 0.00 H new ATOM 0 H61 A A 11 4.573 -8.654 -1.130 1.00 0.00 H new ATOM 0 H62 A A 11 3.690 -7.655 -2.289 1.00 0.00 H new ATOM 0 H2 A A 11 1.516 -10.389 1.646 1.00 0.00 H new ATOM 352 P C A 12 -2.186 -5.162 3.077 1.00 0.00 P ATOM 353 OP1 C A 12 -3.043 -5.083 4.288 1.00 0.00 O ATOM 354 OP2 C A 12 -1.487 -3.944 2.595 1.00 0.00 O ATOM 355 O5' C A 12 -1.095 -6.308 3.287 1.00 0.00 O ATOM 356 C5' C A 12 -1.347 -7.427 4.138 1.00 0.00 C ATOM 357 C4' C A 12 -0.048 -7.955 4.708 1.00 0.00 C ATOM 358 O4' C A 12 0.799 -8.411 3.619 1.00 0.00 O ATOM 359 C3' C A 12 0.796 -6.938 5.463 1.00 0.00 C ATOM 360 O3' C A 12 0.409 -6.875 6.833 1.00 0.00 O ATOM 361 C2' C A 12 2.214 -7.474 5.290 1.00 0.00 C ATOM 362 O2' C A 12 2.479 -8.517 6.209 1.00 0.00 O ATOM 363 C1' C A 12 2.149 -8.072 3.884 1.00 0.00 C ATOM 364 N1 C A 12 2.611 -7.157 2.827 1.00 0.00 N ATOM 365 C2 C A 12 3.982 -6.913 2.694 1.00 0.00 C ATOM 366 O2 C A 12 4.769 -7.465 3.478 1.00 0.00 O ATOM 367 N3 C A 12 4.414 -6.085 1.718 1.00 0.00 N ATOM 368 C4 C A 12 3.536 -5.506 0.897 1.00 0.00 C ATOM 369 N4 C A 12 4.010 -4.705 -0.056 1.00 0.00 N ATOM 370 C5 C A 12 2.133 -5.725 1.017 1.00 0.00 C ATOM 371 C6 C A 12 1.719 -6.550 1.986 1.00 0.00 C ATOM 0 H5' C A 12 -1.852 -8.213 3.577 1.00 0.00 H new ATOM 0 H5'' C A 12 -2.015 -7.134 4.948 1.00 0.00 H new ATOM 0 H4' C A 12 -0.357 -8.733 5.405 1.00 0.00 H new ATOM 0 H3' C A 12 0.688 -5.918 5.095 1.00 0.00 H new ATOM 0 H2' C A 12 2.981 -6.715 5.443 1.00 0.00 H new ATOM 0 HO2' C A 12 1.812 -8.498 6.927 1.00 0.00 H new ATOM 0 H1' C A 12 2.815 -8.935 3.868 1.00 0.00 H new ATOM 0 H41 C A 12 3.368 -4.245 -0.702 1.00 0.00 H new ATOM 0 H42 C A 12 5.015 -4.551 -0.140 1.00 0.00 H new ATOM 0 H5 C A 12 1.431 -5.244 0.352 1.00 0.00 H new ATOM 0 H6 C A 12 0.663 -6.740 2.106 1.00 0.00 H new ATOM 383 P C A 13 0.066 -5.456 7.507 1.00 0.00 P ATOM 384 OP1 C A 13 -0.228 -5.710 8.940 1.00 0.00 O ATOM 385 OP2 C A 13 -0.941 -4.764 6.664 1.00 0.00 O ATOM 386 O5' C A 13 1.436 -4.648 7.416 1.00 0.00 O ATOM 387 C5' C A 13 2.626 -5.150 8.021 1.00 0.00 C ATOM 388 C4' C A 13 3.744 -4.149 7.869 1.00 0.00 C ATOM 389 O4' C A 13 4.330 -4.292 6.544 1.00 0.00 O ATOM 390 C3' C A 13 3.314 -2.691 7.948 1.00 0.00 C ATOM 391 O3' C A 13 3.280 -2.235 9.299 1.00 0.00 O ATOM 392 C2' C A 13 4.374 -1.992 7.107 1.00 0.00 C ATOM 393 O2' C A 13 5.592 -1.856 7.817 1.00 0.00 O ATOM 394 C1' C A 13 4.574 -3.012 5.988 1.00 0.00 C ATOM 395 N1 C A 13 3.669 -2.823 4.841 1.00 0.00 N ATOM 396 C2 C A 13 3.954 -1.812 3.914 1.00 0.00 C ATOM 397 O2 C A 13 4.964 -1.111 4.078 1.00 0.00 O ATOM 398 N3 C A 13 3.124 -1.628 2.863 1.00 0.00 N ATOM 399 C4 C A 13 2.047 -2.403 2.720 1.00 0.00 C ATOM 400 N4 C A 13 1.257 -2.184 1.669 1.00 0.00 N ATOM 401 C5 C A 13 1.732 -3.437 3.648 1.00 0.00 C ATOM 402 C6 C A 13 2.564 -3.613 4.681 1.00 0.00 C ATOM 0 H5' C A 13 2.908 -6.096 7.558 1.00 0.00 H new ATOM 0 H5'' C A 13 2.449 -5.352 9.077 1.00 0.00 H new ATOM 0 H4' C A 13 4.422 -4.363 8.695 1.00 0.00 H new ATOM 0 H3' C A 13 2.304 -2.501 7.585 1.00 0.00 H new ATOM 0 H2' C A 13 4.087 -0.988 6.795 1.00 0.00 H new ATOM 0 HO2' C A 13 6.252 -1.405 7.250 1.00 0.00 H new ATOM 0 H1' C A 13 5.588 -2.893 5.605 1.00 0.00 H new ATOM 0 H41 C A 13 0.425 -2.757 1.528 1.00 0.00 H new ATOM 0 H42 C A 13 1.484 -1.443 1.006 1.00 0.00 H new ATOM 0 H5 C A 13 0.855 -4.055 3.523 1.00 0.00 H new ATOM 0 H6 C A 13 2.360 -4.392 5.401 1.00 0.00 H new ATOM 414 P C A 14 2.216 -1.111 9.739 1.00 0.00 P ATOM 415 OP1 C A 14 2.282 -1.002 11.218 1.00 0.00 O ATOM 416 OP2 C A 14 0.912 -1.392 9.083 1.00 0.00 O ATOM 417 O5' C A 14 2.805 0.231 9.119 1.00 0.00 O ATOM 418 C5' C A 14 4.152 0.621 9.373 1.00 0.00 C ATOM 419 C4' C A 14 4.571 1.703 8.408 1.00 0.00 C ATOM 420 O4' C A 14 4.600 1.166 7.057 1.00 0.00 O ATOM 421 C3' C A 14 3.627 2.889 8.315 1.00 0.00 C ATOM 422 O3' C A 14 3.863 3.795 9.392 1.00 0.00 O ATOM 423 C2' C A 14 3.964 3.446 6.938 1.00 0.00 C ATOM 424 O2' C A 14 5.190 4.154 6.945 1.00 0.00 O ATOM 425 C1' C A 14 4.149 2.153 6.144 1.00 0.00 C ATOM 426 N1 C A 14 2.911 1.668 5.508 1.00 0.00 N ATOM 427 C2 C A 14 2.596 2.102 4.216 1.00 0.00 C ATOM 428 O2 C A 14 3.367 2.882 3.639 1.00 0.00 O ATOM 429 N3 C A 14 1.459 1.664 3.631 1.00 0.00 N ATOM 430 C4 C A 14 0.651 0.829 4.286 1.00 0.00 C ATOM 431 N4 C A 14 -0.457 0.421 3.667 1.00 0.00 N ATOM 432 C5 C A 14 0.945 0.374 5.604 1.00 0.00 C ATOM 433 C6 C A 14 2.076 0.810 6.169 1.00 0.00 C ATOM 0 H5' C A 14 4.813 -0.240 9.274 1.00 0.00 H new ATOM 0 H5'' C A 14 4.247 0.980 10.398 1.00 0.00 H new ATOM 0 H4' C A 14 5.534 2.038 8.793 1.00 0.00 H new ATOM 0 H3' C A 14 2.566 2.658 8.408 1.00 0.00 H new ATOM 0 H2' C A 14 3.216 4.141 6.557 1.00 0.00 H new ATOM 0 HO2' C A 14 5.013 5.116 6.883 1.00 0.00 H new ATOM 0 H1' C A 14 4.857 2.350 5.339 1.00 0.00 H new ATOM 0 H41 C A 14 -1.098 -0.218 4.137 1.00 0.00 H new ATOM 0 H42 C A 14 -0.663 0.748 2.723 1.00 0.00 H new ATOM 0 H5 C A 14 0.280 -0.297 6.127 1.00 0.00 H new ATOM 0 H6 C A 14 2.334 0.479 7.164 1.00 0.00 H new ATOM 445 P C A 15 2.633 4.581 10.072 1.00 0.00 P ATOM 446 OP1 C A 15 3.048 4.916 11.458 1.00 0.00 O ATOM 447 OP2 C A 15 1.370 3.830 9.848 1.00 0.00 O ATOM 448 O5' C A 15 2.556 5.938 9.244 1.00 0.00 O ATOM 449 C5' C A 15 3.711 6.757 9.085 1.00 0.00 C ATOM 450 C4' C A 15 3.555 7.645 7.876 1.00 0.00 C ATOM 451 O4' C A 15 3.503 6.823 6.677 1.00 0.00 O ATOM 452 C3' C A 15 2.274 8.460 7.829 1.00 0.00 C ATOM 453 O3' C A 15 2.405 9.651 8.601 1.00 0.00 O ATOM 454 C2' C A 15 2.120 8.713 6.336 1.00 0.00 C ATOM 455 O2' C A 15 3.028 9.704 5.891 1.00 0.00 O ATOM 456 C1' C A 15 2.551 7.358 5.773 1.00 0.00 C ATOM 457 N1 C A 15 1.452 6.386 5.627 1.00 0.00 N ATOM 458 C2 C A 15 0.635 6.454 4.495 1.00 0.00 C ATOM 459 O2 C A 15 0.848 7.336 3.650 1.00 0.00 O ATOM 460 N3 C A 15 -0.367 5.557 4.349 1.00 0.00 N ATOM 461 C4 C A 15 -0.568 4.624 5.282 1.00 0.00 C ATOM 462 N4 C A 15 -1.561 3.756 5.095 1.00 0.00 N ATOM 463 C5 C A 15 0.244 4.536 6.448 1.00 0.00 C ATOM 464 C6 C A 15 1.233 5.427 6.579 1.00 0.00 C ATOM 0 H5' C A 15 4.597 6.132 8.975 1.00 0.00 H new ATOM 0 H5'' C A 15 3.860 7.366 9.976 1.00 0.00 H new ATOM 0 H4' C A 15 4.407 8.323 7.935 1.00 0.00 H new ATOM 0 H3' C A 15 1.399 7.972 8.258 1.00 0.00 H new ATOM 0 H2' C A 15 1.126 9.055 6.046 1.00 0.00 H new ATOM 0 HO2' C A 15 3.350 10.221 6.659 1.00 0.00 H new ATOM 0 H1' C A 15 2.944 7.525 4.770 1.00 0.00 H new ATOM 0 H41 C A 15 -1.742 3.030 5.789 1.00 0.00 H new ATOM 0 H42 C A 15 -2.141 3.817 4.258 1.00 0.00 H new ATOM 0 H5 C A 15 0.068 3.779 7.198 1.00 0.00 H new ATOM 0 H6 C A 15 1.870 5.389 7.451 1.00 0.00 H new ATOM 476 P G A 16 1.154 10.196 9.453 1.00 0.00 P ATOM 477 OP1 G A 16 1.677 11.225 10.388 1.00 0.00 O ATOM 478 OP2 G A 16 0.385 9.044 9.988 1.00 0.00 O ATOM 479 O5' G A 16 0.259 10.933 8.362 1.00 0.00 O ATOM 480 C5' G A 16 0.818 11.935 7.518 1.00 0.00 C ATOM 481 C4' G A 16 -0.006 12.075 6.262 1.00 0.00 C ATOM 482 O4' G A 16 0.046 10.828 5.522 1.00 0.00 O ATOM 483 C3' G A 16 -1.490 12.325 6.475 1.00 0.00 C ATOM 484 O3' G A 16 -1.741 13.712 6.696 1.00 0.00 O ATOM 485 C2' G A 16 -2.095 11.806 5.174 1.00 0.00 C ATOM 486 O2' G A 16 -1.945 12.742 4.122 1.00 0.00 O ATOM 487 C1' G A 16 -1.196 10.603 4.882 1.00 0.00 C ATOM 488 N9 G A 16 -1.734 9.331 5.356 1.00 0.00 N ATOM 489 C8 G A 16 -1.377 8.643 6.492 1.00 0.00 C ATOM 490 N7 G A 16 -2.032 7.524 6.643 1.00 0.00 N ATOM 491 C5 G A 16 -2.875 7.470 5.541 1.00 0.00 C ATOM 492 C6 G A 16 -3.827 6.489 5.155 1.00 0.00 C ATOM 493 O6 G A 16 -4.123 5.433 5.726 1.00 0.00 O ATOM 494 N1 G A 16 -4.464 6.835 3.969 1.00 0.00 N ATOM 495 C2 G A 16 -4.217 7.972 3.244 1.00 0.00 C ATOM 496 N2 G A 16 -4.932 8.125 2.125 1.00 0.00 N ATOM 497 N3 G A 16 -3.333 8.892 3.588 1.00 0.00 N ATOM 498 C4 G A 16 -2.704 8.579 4.739 1.00 0.00 C ATOM 0 H5' G A 16 1.845 11.674 7.261 1.00 0.00 H new ATOM 0 H5'' G A 16 0.854 12.888 8.046 1.00 0.00 H new ATOM 0 H4' G A 16 0.426 12.938 5.755 1.00 0.00 H new ATOM 0 H3' G A 16 -1.913 11.836 7.352 1.00 0.00 H new ATOM 0 H2' G A 16 -3.162 11.596 5.253 1.00 0.00 H new ATOM 0 HO2' G A 16 -1.770 13.630 4.497 1.00 0.00 H new ATOM 0 H1' G A 16 -1.108 10.520 3.799 1.00 0.00 H new ATOM 0 H8 G A 16 -0.630 8.993 7.189 1.00 0.00 H new ATOM 0 H1 G A 16 -5.170 6.193 3.610 1.00 0.00 H new ATOM 0 H21 G A 16 -4.795 8.950 1.541 1.00 0.00 H new ATOM 0 H22 G A 16 -5.614 7.417 1.855 1.00 0.00 H new ATOM 510 P A A 17 -2.645 14.180 7.943 1.00 0.00 P ATOM 511 OP1 A A 17 -2.258 15.580 8.256 1.00 0.00 O ATOM 512 OP2 A A 17 -2.597 13.152 9.014 1.00 0.00 O ATOM 513 O5' A A 17 -4.121 14.208 7.344 1.00 0.00 O ATOM 514 C5' A A 17 -4.441 15.035 6.228 1.00 0.00 C ATOM 515 C4' A A 17 -5.668 14.509 5.524 1.00 0.00 C ATOM 516 O4' A A 17 -5.349 13.221 4.932 1.00 0.00 O ATOM 517 C3' A A 17 -6.869 14.236 6.420 1.00 0.00 C ATOM 518 O3' A A 17 -7.661 15.410 6.629 1.00 0.00 O ATOM 519 C2' A A 17 -7.616 13.152 5.652 1.00 0.00 C ATOM 520 O2' A A 17 -8.377 13.700 4.591 1.00 0.00 O ATOM 521 C1' A A 17 -6.459 12.350 5.055 1.00 0.00 C ATOM 522 N9 A A 17 -6.056 11.202 5.868 1.00 0.00 N ATOM 523 C8 A A 17 -5.052 11.135 6.804 1.00 0.00 C ATOM 524 N7 A A 17 -4.938 9.958 7.371 1.00 0.00 N ATOM 525 C5 A A 17 -5.930 9.199 6.766 1.00 0.00 C ATOM 526 C6 A A 17 -6.329 7.860 6.927 1.00 0.00 C ATOM 527 N6 A A 17 -5.754 7.015 7.783 1.00 0.00 N ATOM 528 N1 A A 17 -7.354 7.415 6.169 1.00 0.00 N ATOM 529 C2 A A 17 -7.933 8.264 5.310 1.00 0.00 C ATOM 530 N3 A A 17 -7.648 9.541 5.069 1.00 0.00 N ATOM 531 C4 A A 17 -6.625 9.953 5.838 1.00 0.00 C ATOM 0 H5' A A 17 -3.600 15.065 5.535 1.00 0.00 H new ATOM 0 H5'' A A 17 -4.615 16.058 6.562 1.00 0.00 H new ATOM 0 H4' A A 17 -5.935 15.294 4.816 1.00 0.00 H new ATOM 0 H3' A A 17 -6.597 13.929 7.430 1.00 0.00 H new ATOM 0 H2' A A 17 -8.311 12.590 6.275 1.00 0.00 H new ATOM 0 HO2' A A 17 -8.537 14.652 4.761 1.00 0.00 H new ATOM 0 HO3' A A 17 -8.422 15.193 7.207 1.00 0.00 H new ATOM 0 H1' A A 17 -6.796 11.954 4.097 1.00 0.00 H new ATOM 0 H8 A A 17 -4.417 11.973 7.050 1.00 0.00 H new ATOM 0 H61 A A 17 -6.089 6.054 7.854 1.00 0.00 H new ATOM 0 H62 A A 17 -4.979 7.329 8.367 1.00 0.00 H new ATOM 0 H2 A A 17 -8.747 7.854 4.731 1.00 0.00 H new TER 544 A A 17