USER MOD reduce.3.24.130724 H: found=0, std=0, add=196, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 198 hydrogens (30 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 NoAdj-H: A 1 DSN H2 : A 1 DSN N : A 0 QUI C :(H bumps) USER MOD NoAdj-H: A 1 DSN H : A 1 DSN N : A 0 QUI C :(H bumps) USER MOD NoAdj-H: A 3 NCY H : A 3 NCY N : A 2 ALA C :(H bumps) USER MOD NoAdj-H: A 5 DSN H2 : A 5 DSN N : A 9 QUI C :(H bumps) USER MOD NoAdj-H: A 5 DSN H : A 5 DSN N : A 9 QUI C :(H bumps) USER MOD NoAdj-H: A 7 NCY H : A 7 NCY N : A 6 ALA C :(H bumps) USER MOD Single : C 1 DG O5' : rot 180:sc= 0 USER MOD Single : C 3 DT C7 :methyl -30:sc= 0 (180deg=-0.0217) USER MOD Single : C 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 6 DC O3' : rot 180:sc= 0 USER MOD Single : D 1 DG O5' : rot 180:sc= 0 USER MOD Single : D 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : D 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : D 6 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N DSN A 1 -5.632 0.298 -0.533 1.00 0.00 N HETATM 2 CA DSN A 1 -6.175 0.250 -1.926 1.00 0.00 C HETATM 3 C DSN A 1 -5.138 0.522 -3.017 1.00 0.00 C HETATM 4 O DSN A 1 -5.405 0.206 -4.162 1.00 0.00 O HETATM 5 CB DSN A 1 -6.810 -1.159 -2.149 1.00 0.00 C HETATM 6 OG DSN A 1 -5.720 -2.060 -2.113 1.00 0.00 O HETATM 0 HB3 DSN A 1 -7.540 -1.391 -1.373 1.00 0.00 H new HETATM 0 HB2 DSN A 1 -7.333 -1.210 -3.104 1.00 0.00 H new HETATM 0 HA DSN A 1 -6.909 1.051 -2.013 1.00 0.00 H new ATOM 11 N ALA A 2 -4.001 1.085 -2.684 1.00 0.00 N ATOM 12 CA ALA A 2 -3.008 1.336 -3.786 1.00 0.00 C ATOM 13 C ALA A 2 -2.388 0.019 -4.306 1.00 0.00 C ATOM 14 O ALA A 2 -2.346 -0.966 -3.581 1.00 0.00 O ATOM 15 CB ALA A 2 -1.849 2.244 -3.211 1.00 0.00 C ATOM 0 H ALA A 2 -3.722 1.371 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.525 1.820 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.117 2.439 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.266 3.188 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.364 1.732 -2.380 1.00 0.00 H new HETATM 21 N NCY A 3 -1.936 0.051 -5.550 1.00 0.00 N HETATM 22 CA NCY A 3 -1.305 -1.193 -6.101 1.00 0.00 C HETATM 23 CB NCY A 3 -2.082 -1.784 -7.287 1.00 0.00 C HETATM 24 SG NCY A 3 -1.402 -3.309 -7.992 1.00 0.00 S HETATM 25 CN NCY A 3 -2.200 1.021 -6.676 1.00 0.00 C HETATM 26 C NCY A 3 0.104 -0.817 -6.537 1.00 0.00 C HETATM 27 O NCY A 3 0.386 -0.589 -7.699 1.00 0.00 O HETATM 0 HCN3 NCY A 3 -1.260 1.276 -7.164 1.00 0.00 H new HETATM 0 HCN2 NCY A 3 -2.873 0.563 -7.401 1.00 0.00 H new HETATM 0 HCN1 NCY A 3 -2.659 1.926 -6.277 1.00 0.00 H new HETATM 0 HB3 NCY A 3 -3.105 -1.979 -6.966 1.00 0.00 H new HETATM 0 HB2 NCY A 3 -2.133 -1.033 -8.075 1.00 0.00 H new HETATM 0 HA NCY A 3 -1.304 -1.964 -5.331 1.00 0.00 H new ATOM 34 N VAL A 4 0.949 -0.775 -5.535 1.00 0.00 N ATOM 35 CA VAL A 4 2.383 -0.409 -5.747 1.00 0.00 C ATOM 36 C VAL A 4 3.195 -1.678 -5.361 1.00 0.00 C ATOM 37 O VAL A 4 2.824 -2.781 -5.711 1.00 0.00 O ATOM 38 CB VAL A 4 2.689 0.884 -4.788 1.00 0.00 C ATOM 39 CG1 VAL A 4 4.155 1.634 -4.844 1.00 0.00 C ATOM 40 CG2 VAL A 4 1.689 2.216 -4.959 1.00 0.00 C ATOM 0 H VAL A 4 0.701 -0.982 -4.567 1.00 0.00 H new ATOM 0 HA VAL A 4 2.645 -0.125 -6.766 1.00 0.00 H new ATOM 0 HB VAL A 4 2.555 0.301 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.166 2.465 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.938 0.923 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.333 2.010 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.002 2.997 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.753 2.590 -5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.660 1.929 -4.741 1.00 0.00 H new HETATM 50 N DSN A 5 4.940 -1.368 -1.872 1.00 0.00 N HETATM 51 CA DSN A 5 5.050 -2.622 -2.680 1.00 0.00 C HETATM 52 C DSN A 5 3.808 -3.535 -2.674 1.00 0.00 C HETATM 53 O DSN A 5 3.707 -4.396 -3.528 1.00 0.00 O HETATM 54 CB DSN A 5 5.422 -2.187 -4.141 1.00 0.00 C HETATM 55 OG DSN A 5 4.297 -1.486 -4.636 1.00 0.00 O HETATM 0 HB3 DSN A 5 6.310 -1.554 -4.146 1.00 0.00 H new HETATM 0 HB2 DSN A 5 5.646 -3.055 -4.762 1.00 0.00 H new HETATM 0 HA DSN A 5 5.816 -3.246 -2.219 1.00 0.00 H new ATOM 60 N ALA A 6 2.902 -3.349 -1.741 1.00 0.00 N ATOM 61 CA ALA A 6 1.675 -4.233 -1.703 1.00 0.00 C ATOM 62 C ALA A 6 0.621 -3.848 -2.757 1.00 0.00 C ATOM 63 O ALA A 6 0.579 -2.702 -3.173 1.00 0.00 O ATOM 64 CB ALA A 6 1.038 -4.096 -0.239 1.00 0.00 C ATOM 0 H ALA A 6 2.951 -2.637 -1.012 1.00 0.00 H new ATOM 0 HA ALA A 6 1.976 -5.256 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.147 -4.721 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.766 -4.418 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.767 -3.056 -0.056 1.00 0.00 H new HETATM 70 N NCY A 7 -0.191 -4.820 -3.157 1.00 0.00 N HETATM 71 CA NCY A 7 -1.243 -4.476 -4.176 1.00 0.00 C HETATM 72 CB NCY A 7 -0.945 -5.124 -5.538 1.00 0.00 C HETATM 73 SG NCY A 7 -2.135 -4.829 -6.876 1.00 0.00 S HETATM 74 CN NCY A 7 -0.449 -6.246 -2.724 1.00 0.00 C HETATM 75 C NCY A 7 -2.623 -4.895 -3.694 1.00 0.00 C HETATM 76 O NCY A 7 -3.142 -5.947 -4.018 1.00 0.00 O HETATM 0 HCN3 NCY A 7 -1.446 -6.320 -2.290 1.00 0.00 H new HETATM 0 HCN2 NCY A 7 -0.380 -6.907 -3.588 1.00 0.00 H new HETATM 0 HCN1 NCY A 7 0.293 -6.541 -1.982 1.00 0.00 H new HETATM 0 HB3 NCY A 7 0.032 -4.774 -5.872 1.00 0.00 H new HETATM 0 HB2 NCY A 7 -0.864 -6.201 -5.389 1.00 0.00 H new HETATM 0 HA NCY A 7 -1.226 -3.394 -4.303 1.00 0.00 H new ATOM 83 N VAL A 8 -3.152 -3.993 -2.911 1.00 0.00 N ATOM 84 CA VAL A 8 -4.500 -4.195 -2.303 1.00 0.00 C ATOM 85 C VAL A 8 -5.380 -3.072 -2.912 1.00 0.00 C ATOM 86 O VAL A 8 -5.727 -3.129 -4.075 1.00 0.00 O ATOM 87 CB VAL A 8 -4.413 -4.083 -0.626 1.00 0.00 C ATOM 88 CG1 VAL A 8 -4.101 -5.416 0.344 1.00 0.00 C ATOM 89 CG2 VAL A 8 -3.034 -3.238 -0.295 1.00 0.00 C ATOM 0 H VAL A 8 -2.701 -3.112 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.913 -5.182 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.416 -3.722 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.091 -5.110 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.877 -6.166 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.132 -5.839 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.922 -3.132 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.174 -3.773 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.094 -2.250 -0.752 1.00 0.00 H new TER 99 VAL A 8 ATOM 100 O5' DG C 1 10.465 11.453 -0.932 1.00 0.00 O ATOM 101 C5' DG C 1 11.111 10.257 -1.377 1.00 0.00 C ATOM 102 C4' DG C 1 10.627 9.820 -2.762 1.00 0.00 C ATOM 103 O4' DG C 1 11.294 8.600 -3.174 1.00 0.00 O ATOM 104 C3' DG C 1 9.138 9.540 -2.784 1.00 0.00 C ATOM 105 O3' DG C 1 8.453 9.780 -4.030 1.00 0.00 O ATOM 106 C2' DG C 1 9.200 8.110 -2.286 1.00 0.00 C ATOM 107 C1' DG C 1 10.372 7.493 -3.050 1.00 0.00 C ATOM 108 N9 DG C 1 10.925 6.358 -2.274 1.00 0.00 N ATOM 109 C8 DG C 1 11.658 6.368 -1.123 1.00 0.00 C ATOM 110 N7 DG C 1 12.006 5.211 -0.652 1.00 0.00 N ATOM 111 C5 DG C 1 11.454 4.333 -1.581 1.00 0.00 C ATOM 112 C6 DG C 1 11.568 2.923 -1.662 1.00 0.00 C ATOM 113 O6 DG C 1 12.107 2.148 -0.877 1.00 0.00 O ATOM 114 N1 DG C 1 10.962 2.422 -2.798 1.00 0.00 N ATOM 115 C2 DG C 1 10.314 3.177 -3.754 1.00 0.00 C ATOM 116 N2 DG C 1 9.788 2.510 -4.782 1.00 0.00 N ATOM 117 N3 DG C 1 10.201 4.509 -3.683 1.00 0.00 N ATOM 118 C4 DG C 1 10.793 5.019 -2.575 1.00 0.00 C ATOM 0 H5' DG C 1 10.925 9.457 -0.660 1.00 0.00 H new ATOM 0 H5'' DG C 1 12.189 10.417 -1.404 1.00 0.00 H new ATOM 0 H4' DG C 1 10.857 10.645 -3.437 1.00 0.00 H new ATOM 0 H3' DG C 1 8.516 10.212 -2.193 1.00 0.00 H new ATOM 0 H2' DG C 1 9.363 8.071 -1.209 1.00 0.00 H new ATOM 0 H2'' DG C 1 8.270 7.578 -2.487 1.00 0.00 H new ATOM 0 HO5' DG C 1 10.801 11.696 -0.044 1.00 0.00 H new ATOM 0 H1' DG C 1 10.118 7.074 -4.024 1.00 0.00 H new ATOM 0 H8 DG C 1 11.933 7.289 -0.631 1.00 0.00 H new ATOM 0 H1 DG C 1 10.996 1.413 -2.942 1.00 0.00 H new ATOM 0 H21 DG C 1 9.297 3.015 -5.520 1.00 0.00 H new ATOM 0 H22 DG C 1 9.877 1.495 -4.830 1.00 0.00 H new ATOM 131 P DA C 2 8.721 9.115 -5.475 1.00 0.00 P ATOM 132 OP1 DA C 2 10.179 9.023 -5.704 1.00 0.00 O ATOM 133 OP2 DA C 2 7.870 9.820 -6.461 1.00 0.00 O ATOM 134 O5' DA C 2 8.143 7.624 -5.273 1.00 0.00 O ATOM 135 C5' DA C 2 6.846 7.215 -5.729 1.00 0.00 C ATOM 136 C4' DA C 2 5.862 6.909 -4.601 1.00 0.00 C ATOM 137 O4' DA C 2 6.452 5.945 -3.703 1.00 0.00 O ATOM 138 C3' DA C 2 5.413 8.095 -3.745 1.00 0.00 C ATOM 139 O3' DA C 2 4.053 8.449 -4.038 1.00 0.00 O ATOM 140 C2' DA C 2 5.608 7.592 -2.310 1.00 0.00 C ATOM 141 C1' DA C 2 5.840 6.089 -2.414 1.00 0.00 C ATOM 142 N9 DA C 2 6.708 5.534 -1.341 1.00 0.00 N ATOM 143 C8 DA C 2 7.103 6.078 -0.151 1.00 0.00 C ATOM 144 N7 DA C 2 7.848 5.330 0.608 1.00 0.00 N ATOM 145 C5 DA C 2 7.968 4.165 -0.148 1.00 0.00 C ATOM 146 C6 DA C 2 8.645 2.954 0.073 1.00 0.00 C ATOM 147 N6 DA C 2 9.347 2.666 1.169 1.00 0.00 N ATOM 148 N1 DA C 2 8.564 2.031 -0.889 1.00 0.00 N ATOM 149 C2 DA C 2 7.870 2.269 -1.987 1.00 0.00 C ATOM 150 N3 DA C 2 7.190 3.356 -2.313 1.00 0.00 N ATOM 151 C4 DA C 2 7.282 4.281 -1.332 1.00 0.00 C ATOM 0 H5' DA C 2 6.954 6.329 -6.354 1.00 0.00 H new ATOM 0 H5'' DA C 2 6.429 8.000 -6.359 1.00 0.00 H new ATOM 0 H4' DA C 2 4.973 6.549 -5.120 1.00 0.00 H new ATOM 0 H3' DA C 2 5.976 9.010 -3.929 1.00 0.00 H new ATOM 0 H2' DA C 2 6.457 8.085 -1.837 1.00 0.00 H new ATOM 0 H2'' DA C 2 4.732 7.809 -1.699 1.00 0.00 H new ATOM 0 H1' DA C 2 4.910 5.533 -2.296 1.00 0.00 H new ATOM 0 H8 DA C 2 6.812 7.076 0.143 1.00 0.00 H new ATOM 0 H61 DA C 2 9.811 1.762 1.254 1.00 0.00 H new ATOM 0 H62 DA C 2 9.420 3.350 1.922 1.00 0.00 H new ATOM 0 H2 DA C 2 7.856 1.471 -2.715 1.00 0.00 H new ATOM 163 P DT C 3 3.125 9.481 -3.193 1.00 0.00 P ATOM 164 OP1 DT C 3 2.498 10.426 -4.145 1.00 0.00 O ATOM 165 OP2 DT C 3 3.893 9.999 -2.038 1.00 0.00 O ATOM 166 O5' DT C 3 1.984 8.479 -2.640 1.00 0.00 O ATOM 167 C5' DT C 3 1.300 7.675 -3.608 1.00 0.00 C ATOM 168 C4' DT C 3 0.503 6.513 -3.044 1.00 0.00 C ATOM 169 O4' DT C 3 1.293 5.712 -2.145 1.00 0.00 O ATOM 170 C3' DT C 3 -0.718 6.894 -2.230 1.00 0.00 C ATOM 171 O3' DT C 3 -1.897 6.985 -3.041 1.00 0.00 O ATOM 172 C2' DT C 3 -0.958 5.677 -1.341 1.00 0.00 C ATOM 173 C1' DT C 3 0.385 4.911 -1.364 1.00 0.00 C ATOM 174 N1 DT C 3 0.844 4.554 -0.003 1.00 0.00 N ATOM 175 C2 DT C 3 1.193 3.224 0.214 1.00 0.00 C ATOM 176 O2 DT C 3 1.151 2.362 -0.663 1.00 0.00 O ATOM 177 N3 DT C 3 1.595 2.905 1.485 1.00 0.00 N ATOM 178 C4 DT C 3 1.677 3.784 2.554 1.00 0.00 C ATOM 179 O4 DT C 3 2.047 3.369 3.648 1.00 0.00 O ATOM 180 C5 DT C 3 1.299 5.156 2.254 1.00 0.00 C ATOM 181 C7 DT C 3 1.346 6.199 3.400 1.00 0.00 C ATOM 182 C6 DT C 3 0.902 5.493 0.996 1.00 0.00 C ATOM 0 H5' DT C 3 2.033 7.282 -4.312 1.00 0.00 H new ATOM 0 H5'' DT C 3 0.624 8.315 -4.175 1.00 0.00 H new ATOM 0 H4' DT C 3 0.196 5.986 -3.947 1.00 0.00 H new ATOM 0 H3' DT C 3 -0.550 7.846 -1.727 1.00 0.00 H new ATOM 0 H2' DT C 3 -1.229 5.973 -0.328 1.00 0.00 H new ATOM 0 H2'' DT C 3 -1.773 5.061 -1.722 1.00 0.00 H new ATOM 0 H1' DT C 3 0.298 3.933 -1.838 1.00 0.00 H new ATOM 0 H3 DT C 3 1.857 1.935 1.660 1.00 0.00 H new ATOM 0 H71 DT C 3 1.146 5.704 4.351 1.00 0.00 H new ATOM 0 H72 DT C 3 2.333 6.661 3.431 1.00 0.00 H new ATOM 0 H73 DT C 3 0.592 6.966 3.225 1.00 0.00 H new ATOM 0 H6 DT C 3 0.628 6.515 0.781 1.00 0.00 H new ATOM 195 P DA C 4 -2.438 8.310 -3.771 1.00 0.00 P ATOM 196 OP1 DA C 4 -1.493 8.657 -4.855 1.00 0.00 O ATOM 197 OP2 DA C 4 -2.767 9.311 -2.731 1.00 0.00 O ATOM 198 O5' DA C 4 -3.818 7.806 -4.456 1.00 0.00 O ATOM 199 C5' DA C 4 -5.061 7.587 -3.764 1.00 0.00 C ATOM 200 C4' DA C 4 -5.261 6.139 -3.306 1.00 0.00 C ATOM 201 O4' DA C 4 -4.244 5.789 -2.340 1.00 0.00 O ATOM 202 C3' DA C 4 -6.626 5.961 -2.613 1.00 0.00 C ATOM 203 O3' DA C 4 -7.479 4.977 -3.230 1.00 0.00 O ATOM 204 C2' DA C 4 -6.222 5.606 -1.184 1.00 0.00 C ATOM 205 C1' DA C 4 -4.828 4.990 -1.306 1.00 0.00 C ATOM 206 N9 DA C 4 -4.043 5.115 -0.049 1.00 0.00 N ATOM 207 C8 DA C 4 -3.865 6.192 0.786 1.00 0.00 C ATOM 208 N7 DA C 4 -3.111 5.995 1.822 1.00 0.00 N ATOM 209 C5 DA C 4 -2.744 4.660 1.674 1.00 0.00 C ATOM 210 C6 DA C 4 -1.969 3.813 2.471 1.00 0.00 C ATOM 211 N6 DA C 4 -1.372 4.211 3.594 1.00 0.00 N ATOM 212 N1 DA C 4 -1.837 2.546 2.064 1.00 0.00 N ATOM 213 C2 DA C 4 -2.428 2.142 0.951 1.00 0.00 C ATOM 214 N3 DA C 4 -3.183 2.834 0.109 1.00 0.00 N ATOM 215 C4 DA C 4 -3.302 4.114 0.543 1.00 0.00 C ATOM 0 H5' DA C 4 -5.886 7.870 -4.418 1.00 0.00 H new ATOM 0 H5'' DA C 4 -5.104 8.243 -2.895 1.00 0.00 H new ATOM 0 H4' DA C 4 -5.205 5.504 -4.190 1.00 0.00 H new ATOM 0 H3' DA C 4 -7.249 6.853 -2.678 1.00 0.00 H new ATOM 0 H2' DA C 4 -6.208 6.490 -0.547 1.00 0.00 H new ATOM 0 H2'' DA C 4 -6.926 4.903 -0.738 1.00 0.00 H new ATOM 0 H1' DA C 4 -4.853 3.920 -1.513 1.00 0.00 H new ATOM 0 H8 DA C 4 -4.327 7.148 0.590 1.00 0.00 H new ATOM 0 H61 DA C 4 -0.817 3.550 4.138 1.00 0.00 H new ATOM 0 H62 DA C 4 -1.470 5.176 3.909 1.00 0.00 H new ATOM 0 H2 DA C 4 -2.274 1.105 0.693 1.00 0.00 H new ATOM 227 P DT C 5 -8.696 5.469 -4.191 1.00 0.00 P ATOM 228 OP1 DT C 5 -8.150 5.679 -5.551 1.00 0.00 O ATOM 229 OP2 DT C 5 -9.397 6.581 -3.509 1.00 0.00 O ATOM 230 O5' DT C 5 -9.718 4.223 -4.246 1.00 0.00 O ATOM 231 C5' DT C 5 -9.476 3.057 -5.043 1.00 0.00 C ATOM 232 C4' DT C 5 -9.896 1.793 -4.308 1.00 0.00 C ATOM 233 O4' DT C 5 -9.195 1.760 -3.051 1.00 0.00 O ATOM 234 C3' DT C 5 -11.390 1.718 -4.004 1.00 0.00 C ATOM 235 O3' DT C 5 -12.024 0.768 -4.877 1.00 0.00 O ATOM 236 C2' DT C 5 -11.428 1.316 -2.503 1.00 0.00 C ATOM 237 C1' DT C 5 -9.975 1.051 -2.082 1.00 0.00 C ATOM 238 N1 DT C 5 -9.689 1.618 -0.731 1.00 0.00 N ATOM 239 C2 DT C 5 -9.240 0.755 0.257 1.00 0.00 C ATOM 240 O2 DT C 5 -9.077 -0.451 0.082 1.00 0.00 O ATOM 241 N3 DT C 5 -8.981 1.328 1.482 1.00 0.00 N ATOM 242 C4 DT C 5 -9.127 2.661 1.814 1.00 0.00 C ATOM 243 O4 DT C 5 -8.857 3.023 2.955 1.00 0.00 O ATOM 244 C5 DT C 5 -9.599 3.511 0.739 1.00 0.00 C ATOM 245 C7 DT C 5 -9.782 5.031 1.039 1.00 0.00 C ATOM 246 C6 DT C 5 -9.861 2.963 -0.483 1.00 0.00 C ATOM 0 H5' DT C 5 -8.417 2.999 -5.296 1.00 0.00 H new ATOM 0 H5'' DT C 5 -10.024 3.134 -5.982 1.00 0.00 H new ATOM 0 H4' DT C 5 -9.657 0.953 -4.960 1.00 0.00 H new ATOM 0 H3' DT C 5 -11.937 2.645 -4.174 1.00 0.00 H new ATOM 0 H2' DT C 5 -11.867 2.111 -1.900 1.00 0.00 H new ATOM 0 H2'' DT C 5 -12.042 0.428 -2.355 1.00 0.00 H new ATOM 0 H1' DT C 5 -9.761 -0.017 -2.035 1.00 0.00 H new ATOM 0 H3 DT C 5 -8.648 0.706 2.218 1.00 0.00 H new ATOM 0 H71 DT C 5 -9.612 5.605 0.128 1.00 0.00 H new ATOM 0 H72 DT C 5 -10.795 5.212 1.398 1.00 0.00 H new ATOM 0 H73 DT C 5 -9.067 5.340 1.801 1.00 0.00 H new ATOM 0 H6 DT C 5 -10.213 3.602 -1.279 1.00 0.00 H new ATOM 259 P DC C 6 -13.518 0.194 -4.645 1.00 0.00 P ATOM 260 OP1 DC C 6 -13.988 -0.433 -5.900 1.00 0.00 O ATOM 261 OP2 DC C 6 -14.337 1.234 -3.979 1.00 0.00 O ATOM 262 O5' DC C 6 -13.176 -0.966 -3.583 1.00 0.00 O ATOM 263 C5' DC C 6 -14.057 -1.434 -2.558 1.00 0.00 C ATOM 264 C4' DC C 6 -13.245 -2.208 -1.522 1.00 0.00 C ATOM 265 O4' DC C 6 -12.216 -1.373 -0.978 1.00 0.00 O ATOM 266 C3' DC C 6 -14.057 -2.690 -0.304 1.00 0.00 C ATOM 267 O3' DC C 6 -14.809 -3.881 -0.545 1.00 0.00 O ATOM 268 C2' DC C 6 -12.881 -3.021 0.592 1.00 0.00 C ATOM 269 C1' DC C 6 -11.887 -1.889 0.320 1.00 0.00 C ATOM 270 N1 DC C 6 -11.816 -0.844 1.382 1.00 0.00 N ATOM 271 C2 DC C 6 -11.107 -1.134 2.549 1.00 0.00 C ATOM 272 O2 DC C 6 -10.546 -2.214 2.724 1.00 0.00 O ATOM 273 N3 DC C 6 -11.046 -0.186 3.515 1.00 0.00 N ATOM 274 C4 DC C 6 -11.645 1.000 3.367 1.00 0.00 C ATOM 275 N4 DC C 6 -11.547 1.893 4.352 1.00 0.00 N ATOM 276 C5 DC C 6 -12.378 1.320 2.180 1.00 0.00 C ATOM 277 C6 DC C 6 -12.434 0.367 1.213 1.00 0.00 C ATOM 0 H5' DC C 6 -14.828 -2.074 -2.987 1.00 0.00 H new ATOM 0 H5'' DC C 6 -14.566 -0.594 -2.086 1.00 0.00 H new ATOM 0 H4' DC C 6 -12.867 -3.072 -2.069 1.00 0.00 H new ATOM 0 H3' DC C 6 -14.804 -1.979 0.049 1.00 0.00 H new ATOM 0 H2' DC C 6 -13.174 -3.053 1.641 1.00 0.00 H new ATOM 0 H2'' DC C 6 -12.455 -3.995 0.350 1.00 0.00 H new ATOM 0 HO3' DC C 6 -15.297 -4.130 0.268 1.00 0.00 H new ATOM 0 H1' DC C 6 -10.870 -2.281 0.338 1.00 0.00 H new ATOM 0 H41 DC C 6 -11.996 2.804 4.261 1.00 0.00 H new ATOM 0 H42 DC C 6 -11.023 1.665 5.197 1.00 0.00 H new ATOM 0 H5 DC C 6 -12.865 2.276 2.058 1.00 0.00 H new ATOM 0 H6 DC C 6 -12.973 0.567 0.299 1.00 0.00 H new TER 290 DC C 6 ATOM 291 O5' DG D 1 -9.409 -2.850 13.923 1.00 0.00 O ATOM 292 C5' DG D 1 -8.118 -3.263 13.471 1.00 0.00 C ATOM 293 C4' DG D 1 -8.207 -4.389 12.440 1.00 0.00 C ATOM 294 O4' DG D 1 -8.995 -3.997 11.293 1.00 0.00 O ATOM 295 C3' DG D 1 -6.844 -4.785 11.903 1.00 0.00 C ATOM 296 O3' DG D 1 -6.729 -6.149 11.440 1.00 0.00 O ATOM 297 C2' DG D 1 -6.718 -3.701 10.841 1.00 0.00 C ATOM 298 C1' DG D 1 -8.116 -3.690 10.188 1.00 0.00 C ATOM 299 N9 DG D 1 -8.542 -2.414 9.568 1.00 0.00 N ATOM 300 C8 DG D 1 -8.705 -1.177 10.124 1.00 0.00 C ATOM 301 N7 DG D 1 -9.126 -0.241 9.330 1.00 0.00 N ATOM 302 C5 DG D 1 -9.259 -0.914 8.119 1.00 0.00 C ATOM 303 C6 DG D 1 -9.737 -0.439 6.871 1.00 0.00 C ATOM 304 O6 DG D 1 -10.100 0.693 6.565 1.00 0.00 O ATOM 305 N1 DG D 1 -9.775 -1.440 5.918 1.00 0.00 N ATOM 306 C2 DG D 1 -9.399 -2.752 6.126 1.00 0.00 C ATOM 307 N2 DG D 1 -9.497 -3.573 5.080 1.00 0.00 N ATOM 308 N3 DG D 1 -8.948 -3.206 7.302 1.00 0.00 N ATOM 309 C4 DG D 1 -8.905 -2.237 8.249 1.00 0.00 C ATOM 0 H5' DG D 1 -7.525 -3.597 14.323 1.00 0.00 H new ATOM 0 H5'' DG D 1 -7.597 -2.411 13.034 1.00 0.00 H new ATOM 0 H4' DG D 1 -8.667 -5.224 12.969 1.00 0.00 H new ATOM 0 H3' DG D 1 -6.035 -4.817 12.633 1.00 0.00 H new ATOM 0 H2' DG D 1 -6.470 -2.734 11.279 1.00 0.00 H new ATOM 0 H2'' DG D 1 -5.937 -3.934 10.118 1.00 0.00 H new ATOM 0 HO5' DG D 1 -9.310 -2.131 14.581 1.00 0.00 H new ATOM 0 H1' DG D 1 -8.127 -4.388 9.351 1.00 0.00 H new ATOM 0 H8 DG D 1 -8.495 -0.988 11.167 1.00 0.00 H new ATOM 0 H1 DG D 1 -10.107 -1.189 4.987 1.00 0.00 H new ATOM 0 H21 DG D 1 -9.233 -4.554 5.175 1.00 0.00 H new ATOM 0 H22 DG D 1 -9.836 -3.220 4.185 1.00 0.00 H new ATOM 322 P DA D 2 -7.589 -6.935 10.312 1.00 0.00 P ATOM 323 OP1 DA D 2 -9.027 -6.654 10.520 1.00 0.00 O ATOM 324 OP2 DA D 2 -7.116 -8.338 10.290 1.00 0.00 O ATOM 325 O5' DA D 2 -7.127 -6.222 8.937 1.00 0.00 O ATOM 326 C5' DA D 2 -6.987 -6.967 7.720 1.00 0.00 C ATOM 327 C4' DA D 2 -6.030 -6.300 6.735 1.00 0.00 C ATOM 328 O4' DA D 2 -6.520 -5.026 6.252 1.00 0.00 O ATOM 329 C3' DA D 2 -4.655 -6.051 7.370 1.00 0.00 C ATOM 330 O3' DA D 2 -3.591 -6.762 6.731 1.00 0.00 O ATOM 331 C2' DA D 2 -4.523 -4.532 7.264 1.00 0.00 C ATOM 332 C1' DA D 2 -5.414 -4.119 6.101 1.00 0.00 C ATOM 333 N9 DA D 2 -5.880 -2.705 6.149 1.00 0.00 N ATOM 334 C8 DA D 2 -5.828 -1.777 7.156 1.00 0.00 C ATOM 335 N7 DA D 2 -6.309 -0.603 6.886 1.00 0.00 N ATOM 336 C5 DA D 2 -6.729 -0.752 5.569 1.00 0.00 C ATOM 337 C6 DA D 2 -7.378 0.122 4.690 1.00 0.00 C ATOM 338 N6 DA D 2 -7.671 1.380 5.017 1.00 0.00 N ATOM 339 N1 DA D 2 -7.700 -0.351 3.478 1.00 0.00 N ATOM 340 C2 DA D 2 -7.398 -1.604 3.159 1.00 0.00 C ATOM 341 N3 DA D 2 -6.789 -2.520 3.897 1.00 0.00 N ATOM 342 C4 DA D 2 -6.476 -2.020 5.112 1.00 0.00 C ATOM 0 H5' DA D 2 -7.965 -7.080 7.252 1.00 0.00 H new ATOM 0 H5'' DA D 2 -6.626 -7.969 7.950 1.00 0.00 H new ATOM 0 H4' DA D 2 -5.950 -6.996 5.900 1.00 0.00 H new ATOM 0 H3' DA D 2 -4.583 -6.419 8.393 1.00 0.00 H new ATOM 0 H2' DA D 2 -4.836 -4.047 8.188 1.00 0.00 H new ATOM 0 H2'' DA D 2 -3.488 -4.241 7.086 1.00 0.00 H new ATOM 0 H1' DA D 2 -4.889 -4.169 5.147 1.00 0.00 H new ATOM 0 H8 DA D 2 -5.409 -2.011 8.123 1.00 0.00 H new ATOM 0 H61 DA D 2 -8.145 1.984 4.346 1.00 0.00 H new ATOM 0 H62 DA D 2 -7.421 1.739 5.939 1.00 0.00 H new ATOM 0 H2 DA D 2 -7.687 -1.918 2.167 1.00 0.00 H new ATOM 354 P DT D 3 -2.119 -6.882 7.402 1.00 0.00 P ATOM 355 OP1 DT D 3 -1.686 -8.295 7.314 1.00 0.00 O ATOM 356 OP2 DT D 3 -2.125 -6.196 8.714 1.00 0.00 O ATOM 357 O5' DT D 3 -1.230 -6.009 6.383 1.00 0.00 O ATOM 358 C5' DT D 3 -1.151 -6.457 5.029 1.00 0.00 C ATOM 359 C4' DT D 3 -0.440 -5.505 4.089 1.00 0.00 C ATOM 360 O4' DT D 3 -1.028 -4.194 4.091 1.00 0.00 O ATOM 361 C3' DT D 3 1.023 -5.267 4.400 1.00 0.00 C ATOM 362 O3' DT D 3 1.866 -6.172 3.678 1.00 0.00 O ATOM 363 C2' DT D 3 1.322 -3.909 3.769 1.00 0.00 C ATOM 364 C1' DT D 3 -0.073 -3.292 3.501 1.00 0.00 C ATOM 365 N1 DT D 3 -0.164 -1.897 3.984 1.00 0.00 N ATOM 366 C2 DT D 3 -0.642 -0.954 3.079 1.00 0.00 C ATOM 367 O2 DT D 3 -0.996 -1.237 1.935 1.00 0.00 O ATOM 368 N3 DT D 3 -0.702 0.339 3.528 1.00 0.00 N ATOM 369 C4 DT D 3 -0.327 0.778 4.787 1.00 0.00 C ATOM 370 O4 DT D 3 -0.421 1.970 5.060 1.00 0.00 O ATOM 371 C5 DT D 3 0.162 -0.259 5.681 1.00 0.00 C ATOM 372 C7 DT D 3 0.616 0.158 7.103 1.00 0.00 C ATOM 373 C6 DT D 3 0.225 -1.553 5.257 1.00 0.00 C ATOM 0 H5' DT D 3 -2.161 -6.627 4.657 1.00 0.00 H new ATOM 0 H5'' DT D 3 -0.638 -7.418 5.008 1.00 0.00 H new ATOM 0 H4' DT D 3 -0.541 -6.016 3.131 1.00 0.00 H new ATOM 0 H3' DT D 3 1.196 -5.363 5.472 1.00 0.00 H new ATOM 0 H2' DT D 3 1.912 -3.282 4.437 1.00 0.00 H new ATOM 0 H2'' DT D 3 1.893 -4.017 2.847 1.00 0.00 H new ATOM 0 H1' DT D 3 -0.279 -3.196 2.435 1.00 0.00 H new ATOM 0 H3 DT D 3 -1.054 1.041 2.877 1.00 0.00 H new ATOM 0 H71 DT D 3 0.445 -0.666 7.796 1.00 0.00 H new ATOM 0 H72 DT D 3 1.677 0.406 7.088 1.00 0.00 H new ATOM 0 H73 DT D 3 0.045 1.028 7.427 1.00 0.00 H new ATOM 0 H6 DT D 3 0.585 -2.318 5.929 1.00 0.00 H new ATOM 386 P DA D 4 2.211 -7.690 4.074 1.00 0.00 P ATOM 387 OP1 DA D 4 0.962 -8.484 4.055 1.00 0.00 O ATOM 388 OP2 DA D 4 3.058 -7.672 5.287 1.00 0.00 O ATOM 389 O5' DA D 4 3.115 -8.150 2.815 1.00 0.00 O ATOM 390 C5' DA D 4 4.470 -7.730 2.589 1.00 0.00 C ATOM 391 C4' DA D 4 4.606 -6.646 1.509 1.00 0.00 C ATOM 392 O4' DA D 4 3.963 -5.420 1.923 1.00 0.00 O ATOM 393 C3' DA D 4 6.087 -6.315 1.240 1.00 0.00 C ATOM 394 O3' DA D 4 6.404 -6.319 -0.163 1.00 0.00 O ATOM 395 C2' DA D 4 6.213 -4.940 1.875 1.00 0.00 C ATOM 396 C1' DA D 4 4.837 -4.315 1.653 1.00 0.00 C ATOM 397 N9 DA D 4 4.525 -3.182 2.564 1.00 0.00 N ATOM 398 C8 DA D 4 4.843 -2.996 3.888 1.00 0.00 C ATOM 399 N7 DA D 4 4.416 -1.902 4.431 1.00 0.00 N ATOM 400 C5 DA D 4 3.746 -1.286 3.380 1.00 0.00 C ATOM 401 C6 DA D 4 3.111 -0.047 3.281 1.00 0.00 C ATOM 402 N6 DA D 4 2.991 0.782 4.317 1.00 0.00 N ATOM 403 N1 DA D 4 2.613 0.296 2.087 1.00 0.00 N ATOM 404 C2 DA D 4 2.731 -0.526 1.056 1.00 0.00 C ATOM 405 N3 DA D 4 3.305 -1.723 1.019 1.00 0.00 N ATOM 406 C4 DA D 4 3.803 -2.049 2.239 1.00 0.00 C ATOM 0 H5' DA D 4 5.066 -8.595 2.300 1.00 0.00 H new ATOM 0 H5'' DA D 4 4.886 -7.354 3.524 1.00 0.00 H new ATOM 0 H4' DA D 4 4.134 -7.041 0.609 1.00 0.00 H new ATOM 0 H3' DA D 4 6.786 -7.045 1.647 1.00 0.00 H new ATOM 0 H2' DA D 4 6.456 -5.009 2.935 1.00 0.00 H new ATOM 0 H2'' DA D 4 7.001 -4.352 1.405 1.00 0.00 H new ATOM 0 H1' DA D 4 4.751 -3.876 0.659 1.00 0.00 H new ATOM 0 H8 DA D 4 5.417 -3.722 4.444 1.00 0.00 H new ATOM 0 H61 DA D 4 2.519 1.679 4.201 1.00 0.00 H new ATOM 0 H62 DA D 4 3.371 0.520 5.227 1.00 0.00 H new ATOM 0 H2 DA D 4 2.306 -0.179 0.126 1.00 0.00 H new ATOM 418 P DT D 5 7.728 -7.100 -0.683 1.00 0.00 P ATOM 419 OP1 DT D 5 7.947 -8.264 0.206 1.00 0.00 O ATOM 420 OP2 DT D 5 8.819 -6.121 -0.856 1.00 0.00 O ATOM 421 O5' DT D 5 7.335 -7.689 -2.133 1.00 0.00 O ATOM 422 C5' DT D 5 6.848 -6.985 -3.287 1.00 0.00 C ATOM 423 C4' DT D 5 7.666 -5.773 -3.743 1.00 0.00 C ATOM 424 O4' DT D 5 7.593 -4.662 -2.820 1.00 0.00 O ATOM 425 C3' DT D 5 9.145 -6.070 -3.923 1.00 0.00 C ATOM 426 O3' DT D 5 9.519 -6.331 -5.282 1.00 0.00 O ATOM 427 C2' DT D 5 9.817 -4.749 -3.479 1.00 0.00 C ATOM 428 C1' DT D 5 8.692 -3.771 -3.086 1.00 0.00 C ATOM 429 N1 DT D 5 9.020 -2.899 -1.910 1.00 0.00 N ATOM 430 C2 DT D 5 8.874 -1.527 -2.070 1.00 0.00 C ATOM 431 O2 DT D 5 8.495 -1.006 -3.117 1.00 0.00 O ATOM 432 N3 DT D 5 9.176 -0.754 -0.970 1.00 0.00 N ATOM 433 C4 DT D 5 9.604 -1.195 0.260 1.00 0.00 C ATOM 434 O4 DT D 5 9.835 -0.364 1.138 1.00 0.00 O ATOM 435 C5 DT D 5 9.737 -2.636 0.368 1.00 0.00 C ATOM 436 C7 DT D 5 10.202 -3.219 1.736 1.00 0.00 C ATOM 437 C6 DT D 5 9.444 -3.427 -0.712 1.00 0.00 C ATOM 0 H5' DT D 5 5.831 -6.652 -3.080 1.00 0.00 H new ATOM 0 H5'' DT D 5 6.790 -7.689 -4.117 1.00 0.00 H new ATOM 0 H4' DT D 5 7.211 -5.517 -4.700 1.00 0.00 H new ATOM 0 H3' DT D 5 9.431 -6.962 -3.365 1.00 0.00 H new ATOM 0 H2' DT D 5 10.487 -4.923 -2.637 1.00 0.00 H new ATOM 0 H2'' DT D 5 10.421 -4.335 -4.286 1.00 0.00 H new ATOM 0 H1' DT D 5 8.490 -3.037 -3.866 1.00 0.00 H new ATOM 0 H3 DT D 5 9.071 0.255 -1.080 1.00 0.00 H new ATOM 0 H71 DT D 5 9.774 -4.212 1.873 1.00 0.00 H new ATOM 0 H72 DT D 5 11.290 -3.287 1.751 1.00 0.00 H new ATOM 0 H73 DT D 5 9.868 -2.566 2.542 1.00 0.00 H new ATOM 0 H6 DT D 5 9.549 -4.498 -0.620 1.00 0.00 H new ATOM 450 P DC D 6 10.744 -7.339 -5.605 1.00 0.00 P ATOM 451 OP1 DC D 6 10.180 -8.698 -5.768 1.00 0.00 O ATOM 452 OP2 DC D 6 11.811 -7.108 -4.604 1.00 0.00 O ATOM 453 O5' DC D 6 11.293 -6.858 -7.048 1.00 0.00 O ATOM 454 C5' DC D 6 12.371 -5.923 -7.225 1.00 0.00 C ATOM 455 C4' DC D 6 11.922 -4.463 -7.131 1.00 0.00 C ATOM 456 O4' DC D 6 11.396 -4.109 -5.848 1.00 0.00 O ATOM 457 C3' DC D 6 13.059 -3.458 -7.367 1.00 0.00 C ATOM 458 O3' DC D 6 13.502 -3.415 -8.726 1.00 0.00 O ATOM 459 C2' DC D 6 12.307 -2.206 -6.952 1.00 0.00 C ATOM 460 C1' DC D 6 11.473 -2.674 -5.746 1.00 0.00 C ATOM 461 N1 DC D 6 11.896 -2.173 -4.403 1.00 0.00 N ATOM 462 C2 DC D 6 11.441 -0.912 -4.016 1.00 0.00 C ATOM 463 O2 DC D 6 10.726 -0.225 -4.744 1.00 0.00 O ATOM 464 N3 DC D 6 11.805 -0.440 -2.800 1.00 0.00 N ATOM 465 C4 DC D 6 12.579 -1.152 -1.978 1.00 0.00 C ATOM 466 N4 DC D 6 12.901 -0.630 -0.794 1.00 0.00 N ATOM 467 C5 DC D 6 13.061 -2.449 -2.346 1.00 0.00 C ATOM 468 C6 DC D 6 12.693 -2.919 -3.569 1.00 0.00 C ATOM 0 H5' DC D 6 12.835 -6.092 -8.197 1.00 0.00 H new ATOM 0 H5'' DC D 6 13.135 -6.111 -6.470 1.00 0.00 H new ATOM 0 H4' DC D 6 11.161 -4.403 -7.909 1.00 0.00 H new ATOM 0 H3' DC D 6 13.992 -3.660 -6.840 1.00 0.00 H new ATOM 0 H2' DC D 6 12.988 -1.400 -6.681 1.00 0.00 H new ATOM 0 H2'' DC D 6 11.675 -1.832 -7.757 1.00 0.00 H new ATOM 0 HO3' DC D 6 14.224 -2.758 -8.814 1.00 0.00 H new ATOM 0 H1' DC D 6 10.485 -2.217 -5.803 1.00 0.00 H new ATOM 0 H41 DC D 6 13.491 -1.155 -0.149 1.00 0.00 H new ATOM 0 H42 DC D 6 12.557 0.294 -0.534 1.00 0.00 H new ATOM 0 H5 DC D 6 13.688 -3.028 -1.684 1.00 0.00 H new ATOM 0 H6 DC D 6 13.033 -3.893 -3.889 1.00 0.00 H new TER 481 DC D 6 HETATM 482 N1 QUI A 0 -4.822 -0.041 1.987 1.00 0.00 N HETATM 483 C2 QUI A 0 -5.300 1.169 1.646 1.00 0.00 C HETATM 484 C3 QUI A 0 -5.208 2.245 2.540 1.00 0.00 C HETATM 485 N4 QUI A 0 -4.645 2.093 3.752 1.00 0.00 N HETATM 486 C5 QUI A 0 -3.594 0.714 5.338 1.00 0.00 C HETATM 487 C6 QUI A 0 -3.102 -0.535 5.704 1.00 0.00 C HETATM 488 C7 QUI A 0 -3.182 -1.630 4.826 1.00 0.00 C HETATM 489 C8 QUI A 0 -3.768 -1.448 3.563 1.00 0.00 C HETATM 490 C9 QUI A 0 -4.262 -0.196 3.194 1.00 0.00 C HETATM 491 C10 QUI A 0 -4.172 0.875 4.082 1.00 0.00 C HETATM 492 C QUI A 0 -5.919 1.292 0.310 1.00 0.00 C HETATM 493 O1 QUI A 0 -6.648 2.257 0.030 1.00 0.00 O HETATM 0 H8 QUI A 0 -3.837 -2.286 2.870 1.00 0.00 H new HETATM 0 H7 QUI A 0 -2.795 -2.605 5.121 1.00 0.00 H new HETATM 0 H6 QUI A 0 -2.648 -0.666 6.686 1.00 0.00 H new HETATM 0 H5 QUI A 0 -3.528 1.556 6.027 1.00 0.00 H new HETATM 0 H3 QUI A 0 -5.599 3.220 2.248 1.00 0.00 H new HETATM 499 N1 QUI A 9 4.952 1.127 -0.781 1.00 0.00 N HETATM 500 C2 QUI A 9 5.514 0.116 -0.095 1.00 0.00 C HETATM 501 C3 QUI A 9 5.886 0.285 1.246 1.00 0.00 C HETATM 502 N4 QUI A 9 5.692 1.454 1.877 1.00 0.00 N HETATM 503 C5 QUI A 9 4.927 3.670 1.840 1.00 0.00 C HETATM 504 C6 QUI A 9 4.346 4.727 1.150 1.00 0.00 C HETATM 505 C7 QUI A 9 3.963 4.587 -0.196 1.00 0.00 C HETATM 506 C8 QUI A 9 4.174 3.358 -0.844 1.00 0.00 C HETATM 507 C9 QUI A 9 4.757 2.296 -0.151 1.00 0.00 C HETATM 508 C10 QUI A 9 5.129 2.460 1.183 1.00 0.00 C HETATM 509 C QUI A 9 5.716 -1.164 -0.804 1.00 0.00 C HETATM 510 O1 QUI A 9 6.567 -1.971 -0.399 1.00 0.00 O HETATM 0 H8 QUI A 9 3.883 3.234 -1.887 1.00 0.00 H new HETATM 0 H7 QUI A 9 3.508 5.421 -0.730 1.00 0.00 H new HETATM 0 H6 QUI A 9 4.185 5.677 1.659 1.00 0.00 H new HETATM 0 H5 QUI A 9 5.221 3.787 2.883 1.00 0.00 H new HETATM 0 H3 QUI A 9 6.340 -0.546 1.785 1.00 0.00 H new