USER MOD reduce.3.24.130724 H: found=0, std=0, add=196, rem=0, adj=4 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 150:sc= 0 (180deg=0) 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= -1.92 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 -5.554 0.151 -0.359 1.00 0.00 N HETATM 2 CA DSN A 1 -6.143 0.175 -1.741 1.00 0.00 C HETATM 3 C DSN A 1 -5.186 0.495 -2.902 1.00 0.00 C HETATM 4 O DSN A 1 -5.546 0.249 -4.039 1.00 0.00 O HETATM 5 CB DSN A 1 -6.803 -1.210 -2.004 1.00 0.00 C HETATM 6 OG DSN A 1 -5.725 -2.131 -2.032 1.00 0.00 O HETATM 0 HB3 DSN A 1 -7.517 -1.462 -1.220 1.00 0.00 H new HETATM 0 HB2 DSN A 1 -7.350 -1.214 -2.947 1.00 0.00 H new HETATM 0 HA DSN A 1 -6.847 1.007 -1.736 1.00 0.00 H new ATOM 11 N ALA A 2 -4.018 1.022 -2.632 1.00 0.00 N ATOM 12 CA ALA A 2 -3.083 1.326 -3.772 1.00 0.00 C ATOM 13 C ALA A 2 -2.521 -0.040 -4.211 1.00 0.00 C ATOM 14 O ALA A 2 -2.264 -0.887 -3.368 1.00 0.00 O ATOM 15 CB ALA A 2 -1.939 2.260 -3.219 1.00 0.00 C ATOM 0 H ALA A 2 -3.673 1.252 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.561 1.832 -4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.243 2.499 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.376 3.181 -2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.406 1.747 -2.419 1.00 0.00 H new HETATM 21 N NCY A 3 -2.327 -0.232 -5.502 1.00 0.00 N HETATM 22 CA NCY A 3 -1.787 -1.581 -5.863 1.00 0.00 C HETATM 23 CB NCY A 3 -2.551 -2.122 -7.057 1.00 0.00 C HETATM 24 SG NCY A 3 -2.676 -3.919 -7.266 1.00 0.00 S HETATM 25 CN NCY A 3 -1.928 0.794 -6.543 1.00 0.00 C HETATM 26 C NCY A 3 -0.292 -1.362 -6.178 1.00 0.00 C HETATM 27 O NCY A 3 0.178 -1.661 -7.259 1.00 0.00 O HETATM 0 HCN3 NCY A 3 -0.841 0.851 -6.600 1.00 0.00 H new HETATM 0 HCN2 NCY A 3 -2.327 0.501 -7.514 1.00 0.00 H new HETATM 0 HCN1 NCY A 3 -2.329 1.769 -6.265 1.00 0.00 H new HETATM 0 HB3 NCY A 3 -3.564 -1.723 -7.010 1.00 0.00 H new HETATM 0 HB2 NCY A 3 -2.090 -1.715 -7.957 1.00 0.00 H new HETATM 0 HA NCY A 3 -1.898 -2.313 -5.063 1.00 0.00 H new ATOM 34 N VAL A 4 0.399 -0.832 -5.184 1.00 0.00 N ATOM 35 CA VAL A 4 1.861 -0.527 -5.348 1.00 0.00 C ATOM 36 C VAL A 4 2.720 -1.006 -4.173 1.00 0.00 C ATOM 37 O VAL A 4 2.348 -0.872 -3.025 1.00 0.00 O ATOM 38 CB VAL A 4 1.936 1.089 -5.561 1.00 0.00 C ATOM 39 CG1 VAL A 4 1.687 1.794 -4.117 1.00 0.00 C ATOM 40 CG2 VAL A 4 3.338 1.785 -5.953 1.00 0.00 C ATOM 0 H VAL A 4 0.011 -0.599 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 4 2.279 -1.068 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 4 1.229 1.221 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.732 2.877 -4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.706 1.508 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.456 1.469 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.195 2.861 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.073 1.587 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.695 1.377 -6.899 1.00 0.00 H new HETATM 50 N DSN A 5 4.751 -1.250 -1.840 1.00 0.00 N HETATM 51 CA DSN A 5 4.840 -2.547 -2.592 1.00 0.00 C HETATM 52 C DSN A 5 3.602 -3.446 -2.452 1.00 0.00 C HETATM 53 O DSN A 5 3.444 -4.340 -3.262 1.00 0.00 O HETATM 54 CB DSN A 5 5.072 -2.211 -4.097 1.00 0.00 C HETATM 55 OG DSN A 5 3.889 -1.554 -4.512 1.00 0.00 O HETATM 0 HB3 DSN A 5 5.945 -1.572 -4.229 1.00 0.00 H new HETATM 0 HB2 DSN A 5 5.247 -3.115 -4.681 1.00 0.00 H new HETATM 0 HA DSN A 5 5.665 -3.116 -2.162 1.00 0.00 H new ATOM 60 N ALA A 6 2.761 -3.228 -1.466 1.00 0.00 N ATOM 61 CA ALA A 6 1.557 -4.125 -1.362 1.00 0.00 C ATOM 62 C ALA A 6 0.652 -3.774 -2.559 1.00 0.00 C ATOM 63 O ALA A 6 0.530 -2.607 -2.898 1.00 0.00 O ATOM 64 CB ALA A 6 0.805 -3.808 -0.011 1.00 0.00 C ATOM 0 H ALA A 6 2.846 -2.501 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 6 1.829 -5.181 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.070 -4.451 0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.475 -3.989 0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.490 -2.764 -0.006 1.00 0.00 H new HETATM 70 N NCY A 7 0.030 -4.766 -3.166 1.00 0.00 N HETATM 71 CA NCY A 7 -0.825 -4.354 -4.327 1.00 0.00 C HETATM 72 CB NCY A 7 -0.554 -5.281 -5.495 1.00 0.00 C HETATM 73 SG NCY A 7 -0.796 -4.651 -7.179 1.00 0.00 S HETATM 74 CN NCY A 7 -0.479 -6.064 -2.572 1.00 0.00 C HETATM 75 C NCY A 7 -2.284 -4.453 -3.825 1.00 0.00 C HETATM 76 O NCY A 7 -3.103 -5.152 -4.390 1.00 0.00 O HETATM 0 HCN3 NCY A 7 -1.505 -5.929 -2.228 1.00 0.00 H new HETATM 0 HCN2 NCY A 7 -0.450 -6.847 -3.330 1.00 0.00 H new HETATM 0 HCN1 NCY A 7 0.151 -6.351 -1.730 1.00 0.00 H new HETATM 0 HB3 NCY A 7 0.478 -5.622 -5.414 1.00 0.00 H new HETATM 0 HB2 NCY A 7 -1.190 -6.158 -5.375 1.00 0.00 H new HETATM 0 HA NCY A 7 -0.618 -3.342 -4.676 1.00 0.00 H new ATOM 83 N VAL A 8 -2.536 -3.722 -2.754 1.00 0.00 N ATOM 84 CA VAL A 8 -3.896 -3.728 -2.114 1.00 0.00 C ATOM 85 C VAL A 8 -4.424 -2.323 -1.806 1.00 0.00 C ATOM 86 O VAL A 8 -3.684 -1.462 -1.373 1.00 0.00 O ATOM 87 CB VAL A 8 -3.736 -4.645 -0.771 1.00 0.00 C ATOM 88 CG1 VAL A 8 -2.925 -3.771 0.334 1.00 0.00 C ATOM 89 CG2 VAL A 8 -5.040 -5.016 0.109 1.00 0.00 C ATOM 0 H VAL A 8 -1.852 -3.120 -2.296 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.644 -4.137 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.311 -5.556 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.802 -4.358 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.945 -3.505 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.483 -2.863 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.742 -5.629 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.509 -4.100 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.749 -5.570 -0.507 1.00 0.00 H new TER 99 VAL A 8 ATOM 100 O5' DG C 1 13.567 9.518 -0.386 1.00 0.00 O ATOM 101 C5' DG C 1 12.179 9.783 -0.596 1.00 0.00 C ATOM 102 C4' DG C 1 11.763 9.524 -2.045 1.00 0.00 C ATOM 103 O4' DG C 1 12.040 8.169 -2.464 1.00 0.00 O ATOM 104 C3' DG C 1 10.285 9.741 -2.275 1.00 0.00 C ATOM 105 O3' DG C 1 9.990 10.217 -3.606 1.00 0.00 O ATOM 106 C2' DG C 1 9.803 8.364 -1.812 1.00 0.00 C ATOM 107 C1' DG C 1 10.815 7.400 -2.452 1.00 0.00 C ATOM 108 N9 DG C 1 11.040 6.131 -1.713 1.00 0.00 N ATOM 109 C8 DG C 1 11.513 5.918 -0.448 1.00 0.00 C ATOM 110 N7 DG C 1 11.633 4.682 -0.078 1.00 0.00 N ATOM 111 C5 DG C 1 11.199 3.989 -1.204 1.00 0.00 C ATOM 112 C6 DG C 1 11.194 2.593 -1.455 1.00 0.00 C ATOM 113 O6 DG C 1 11.485 1.671 -0.696 1.00 0.00 O ATOM 114 N1 DG C 1 10.796 2.307 -2.747 1.00 0.00 N ATOM 115 C2 DG C 1 10.441 3.242 -3.697 1.00 0.00 C ATOM 116 N2 DG C 1 10.082 2.771 -4.892 1.00 0.00 N ATOM 117 N3 DG C 1 10.445 4.559 -3.468 1.00 0.00 N ATOM 118 C4 DG C 1 10.834 4.860 -2.206 1.00 0.00 C ATOM 0 H5' DG C 1 11.964 10.819 -0.336 1.00 0.00 H new ATOM 0 H5'' DG C 1 11.585 9.157 0.070 1.00 0.00 H new ATOM 0 H4' DG C 1 12.351 10.238 -2.622 1.00 0.00 H new ATOM 0 H3' DG C 1 9.769 10.544 -1.749 1.00 0.00 H new ATOM 0 H2' DG C 1 9.802 8.283 -0.725 1.00 0.00 H new ATOM 0 H2'' DG C 1 8.786 8.160 -2.147 1.00 0.00 H new ATOM 0 HO5' DG C 1 13.796 9.696 0.550 1.00 0.00 H new ATOM 0 H1' DG C 1 10.449 7.073 -3.425 1.00 0.00 H new ATOM 0 H8 DG C 1 11.773 6.736 0.208 1.00 0.00 H new ATOM 0 H1 DG C 1 10.762 1.325 -3.020 1.00 0.00 H new ATOM 0 H21 DG C 1 9.809 3.416 -5.634 1.00 0.00 H new ATOM 0 H22 DG C 1 10.080 1.766 -5.064 1.00 0.00 H new ATOM 131 P DA C 2 10.000 9.476 -5.049 1.00 0.00 P ATOM 132 OP1 DA C 2 11.141 8.535 -5.109 1.00 0.00 O ATOM 133 OP2 DA C 2 9.853 10.513 -6.094 1.00 0.00 O ATOM 134 O5' DA C 2 8.639 8.622 -5.004 1.00 0.00 O ATOM 135 C5' DA C 2 7.448 9.209 -4.466 1.00 0.00 C ATOM 136 C4' DA C 2 6.336 8.183 -4.319 1.00 0.00 C ATOM 137 O4' DA C 2 6.840 6.992 -3.680 1.00 0.00 O ATOM 138 C3' DA C 2 5.195 8.739 -3.458 1.00 0.00 C ATOM 139 O3' DA C 2 3.918 8.738 -4.101 1.00 0.00 O ATOM 140 C2' DA C 2 5.270 7.843 -2.219 1.00 0.00 C ATOM 141 C1' DA C 2 5.915 6.542 -2.688 1.00 0.00 C ATOM 142 N9 DA C 2 6.680 5.802 -1.648 1.00 0.00 N ATOM 143 C8 DA C 2 7.184 6.217 -0.445 1.00 0.00 C ATOM 144 N7 DA C 2 7.809 5.327 0.260 1.00 0.00 N ATOM 145 C5 DA C 2 7.720 4.197 -0.546 1.00 0.00 C ATOM 146 C6 DA C 2 8.222 2.899 -0.401 1.00 0.00 C ATOM 147 N6 DA C 2 8.893 2.503 0.681 1.00 0.00 N ATOM 148 N1 DA C 2 8.000 2.036 -1.403 1.00 0.00 N ATOM 149 C2 DA C 2 7.326 2.432 -2.477 1.00 0.00 C ATOM 150 N3 DA C 2 6.803 3.623 -2.728 1.00 0.00 N ATOM 151 C4 DA C 2 7.040 4.473 -1.706 1.00 0.00 C ATOM 0 H5' DA C 2 7.114 10.018 -5.116 1.00 0.00 H new ATOM 0 H5'' DA C 2 7.667 9.651 -3.494 1.00 0.00 H new ATOM 0 H4' DA C 2 5.965 7.950 -5.317 1.00 0.00 H new ATOM 0 H3' DA C 2 5.307 9.799 -3.232 1.00 0.00 H new ATOM 0 H2' DA C 2 5.861 8.312 -1.432 1.00 0.00 H new ATOM 0 H2'' DA C 2 4.278 7.661 -1.807 1.00 0.00 H new ATOM 0 H1' DA C 2 5.145 5.843 -3.013 1.00 0.00 H new ATOM 0 H8 DA C 2 7.067 7.234 -0.101 1.00 0.00 H new ATOM 0 H61 DA C 2 9.241 1.546 0.744 1.00 0.00 H new ATOM 0 H62 DA C 2 9.058 3.157 1.446 1.00 0.00 H new ATOM 0 H2 DA C 2 7.186 1.686 -3.245 1.00 0.00 H new ATOM 163 P DT C 3 2.659 9.521 -3.446 1.00 0.00 P ATOM 164 OP1 DT C 3 1.833 10.071 -4.544 1.00 0.00 O ATOM 165 OP2 DT C 3 3.149 10.417 -2.374 1.00 0.00 O ATOM 166 O5' DT C 3 1.858 8.307 -2.758 1.00 0.00 O ATOM 167 C5' DT C 3 1.320 7.322 -3.638 1.00 0.00 C ATOM 168 C4' DT C 3 0.476 6.261 -2.970 1.00 0.00 C ATOM 169 O4' DT C 3 1.217 5.497 -2.016 1.00 0.00 O ATOM 170 C3' DT C 3 -0.731 6.784 -2.216 1.00 0.00 C ATOM 171 O3' DT C 3 -1.919 6.845 -3.019 1.00 0.00 O ATOM 172 C2' DT C 3 -1.032 5.680 -1.203 1.00 0.00 C ATOM 173 C1' DT C 3 0.265 4.835 -1.169 1.00 0.00 C ATOM 174 N1 DT C 3 0.791 4.557 0.178 1.00 0.00 N ATOM 175 C2 DT C 3 1.169 3.246 0.437 1.00 0.00 C ATOM 176 O2 DT C 3 1.095 2.343 -0.395 1.00 0.00 O ATOM 177 N3 DT C 3 1.640 2.993 1.695 1.00 0.00 N ATOM 178 C4 DT C 3 1.767 3.916 2.717 1.00 0.00 C ATOM 179 O4 DT C 3 2.198 3.550 3.806 1.00 0.00 O ATOM 180 C5 DT C 3 1.354 5.269 2.373 1.00 0.00 C ATOM 181 C7 DT C 3 1.448 6.365 3.458 1.00 0.00 C ATOM 182 C6 DT C 3 0.887 5.543 1.124 1.00 0.00 C ATOM 0 H5' DT C 3 2.143 6.834 -4.160 1.00 0.00 H new ATOM 0 H5'' DT C 3 0.715 7.823 -4.394 1.00 0.00 H new ATOM 0 H4' DT C 3 0.147 5.660 -3.818 1.00 0.00 H new ATOM 0 H3' DT C 3 -0.509 7.780 -1.833 1.00 0.00 H new ATOM 0 H2' DT C 3 -1.265 6.092 -0.221 1.00 0.00 H new ATOM 0 H2'' DT C 3 -1.890 5.081 -1.509 1.00 0.00 H new ATOM 0 H1' DT C 3 0.042 3.835 -1.540 1.00 0.00 H new ATOM 0 H3 DT C 3 1.924 2.035 1.899 1.00 0.00 H new ATOM 0 H71 DT C 3 1.633 7.330 2.986 1.00 0.00 H new ATOM 0 H72 DT C 3 0.512 6.407 4.015 1.00 0.00 H new ATOM 0 H73 DT C 3 2.266 6.132 4.140 1.00 0.00 H new ATOM 0 H6 DT C 3 0.588 6.551 0.876 1.00 0.00 H new ATOM 195 P DA C 4 -2.201 7.753 -4.321 1.00 0.00 P ATOM 196 OP1 DA C 4 -1.026 7.711 -5.217 1.00 0.00 O ATOM 197 OP2 DA C 4 -2.742 9.055 -3.870 1.00 0.00 O ATOM 198 O5' DA C 4 -3.387 6.916 -5.030 1.00 0.00 O ATOM 199 C5' DA C 4 -4.714 6.816 -4.495 1.00 0.00 C ATOM 200 C4' DA C 4 -5.023 5.434 -3.893 1.00 0.00 C ATOM 201 O4' DA C 4 -4.141 5.130 -2.787 1.00 0.00 O ATOM 202 C3' DA C 4 -6.466 5.382 -3.359 1.00 0.00 C ATOM 203 O3' DA C 4 -7.200 4.232 -3.819 1.00 0.00 O ATOM 204 C2' DA C 4 -6.223 5.384 -1.860 1.00 0.00 C ATOM 205 C1' DA C 4 -4.918 4.610 -1.698 1.00 0.00 C ATOM 206 N9 DA C 4 -4.223 4.833 -0.397 1.00 0.00 N ATOM 207 C8 DA C 4 -4.174 5.951 0.400 1.00 0.00 C ATOM 208 N7 DA C 4 -3.474 5.855 1.485 1.00 0.00 N ATOM 209 C5 DA C 4 -3.000 4.551 1.423 1.00 0.00 C ATOM 210 C6 DA C 4 -2.210 3.804 2.303 1.00 0.00 C ATOM 211 N6 DA C 4 -1.717 4.302 3.436 1.00 0.00 N ATOM 212 N1 DA C 4 -1.953 2.535 1.970 1.00 0.00 N ATOM 213 C2 DA C 4 -2.440 2.030 0.847 1.00 0.00 C ATOM 214 N3 DA C 4 -3.195 2.629 -0.066 1.00 0.00 N ATOM 215 C4 DA C 4 -3.444 3.914 0.290 1.00 0.00 C ATOM 0 H5' DA C 4 -5.434 7.030 -5.285 1.00 0.00 H new ATOM 0 H5'' DA C 4 -4.847 7.578 -3.727 1.00 0.00 H new ATOM 0 H4' DA C 4 -4.882 4.707 -4.693 1.00 0.00 H new ATOM 0 H3' DA C 4 -7.097 6.202 -3.703 1.00 0.00 H new ATOM 0 H2' DA C 4 -6.137 6.398 -1.471 1.00 0.00 H new ATOM 0 H2'' DA C 4 -7.041 4.905 -1.322 1.00 0.00 H new ATOM 0 H1' DA C 4 -5.079 3.532 -1.706 1.00 0.00 H new ATOM 0 H8 DA C 4 -4.692 6.861 0.136 1.00 0.00 H new ATOM 0 H61 DA C 4 -1.146 3.716 4.045 1.00 0.00 H new ATOM 0 H62 DA C 4 -1.911 5.269 3.695 1.00 0.00 H new ATOM 0 H2 DA C 4 -2.191 0.998 0.648 1.00 0.00 H new ATOM 227 P DT C 5 -8.788 4.372 -4.129 1.00 0.00 P ATOM 228 OP1 DT C 5 -9.013 5.719 -4.703 1.00 0.00 O ATOM 229 OP2 DT C 5 -9.541 3.976 -2.925 1.00 0.00 O ATOM 230 O5' DT C 5 -9.114 3.308 -5.300 1.00 0.00 O ATOM 231 C5' DT C 5 -8.670 1.947 -5.375 1.00 0.00 C ATOM 232 C4' DT C 5 -9.218 0.993 -4.310 1.00 0.00 C ATOM 233 O4' DT C 5 -8.749 1.292 -2.975 1.00 0.00 O ATOM 234 C3' DT C 5 -10.746 0.864 -4.226 1.00 0.00 C ATOM 235 O3' DT C 5 -11.164 -0.501 -4.372 1.00 0.00 O ATOM 236 C2' DT C 5 -11.026 1.316 -2.782 1.00 0.00 C ATOM 237 C1' DT C 5 -9.760 0.912 -2.027 1.00 0.00 C ATOM 238 N1 DT C 5 -9.528 1.503 -0.668 1.00 0.00 N ATOM 239 C2 DT C 5 -9.198 0.623 0.354 1.00 0.00 C ATOM 240 O2 DT C 5 -9.107 -0.593 0.197 1.00 0.00 O ATOM 241 N3 DT C 5 -8.972 1.185 1.590 1.00 0.00 N ATOM 242 C4 DT C 5 -9.041 2.520 1.915 1.00 0.00 C ATOM 243 O4 DT C 5 -8.813 2.861 3.074 1.00 0.00 O ATOM 244 C5 DT C 5 -9.387 3.392 0.812 1.00 0.00 C ATOM 245 C7 DT C 5 -9.465 4.923 1.098 1.00 0.00 C ATOM 246 C6 DT C 5 -9.617 2.856 -0.427 1.00 0.00 C ATOM 0 H5' DT C 5 -7.582 1.939 -5.314 1.00 0.00 H new ATOM 0 H5'' DT C 5 -8.937 1.554 -6.356 1.00 0.00 H new ATOM 0 H4' DT C 5 -8.820 0.044 -4.669 1.00 0.00 H new ATOM 0 H3' DT C 5 -11.262 1.432 -5.000 1.00 0.00 H new ATOM 0 H2' DT C 5 -11.201 2.390 -2.725 1.00 0.00 H new ATOM 0 H2'' DT C 5 -11.910 0.827 -2.373 1.00 0.00 H new ATOM 0 H1' DT C 5 -9.794 -0.140 -1.745 1.00 0.00 H new ATOM 0 H3 DT C 5 -8.728 0.544 2.345 1.00 0.00 H new ATOM 0 H71 DT C 5 -9.202 5.476 0.196 1.00 0.00 H new ATOM 0 H72 DT C 5 -10.478 5.185 1.402 1.00 0.00 H new ATOM 0 H73 DT C 5 -8.769 5.180 1.896 1.00 0.00 H new ATOM 0 H6 DT C 5 -9.877 3.516 -1.242 1.00 0.00 H new ATOM 259 P DC C 6 -12.656 -0.866 -4.881 1.00 0.00 P ATOM 260 OP1 DC C 6 -12.808 -2.339 -4.835 1.00 0.00 O ATOM 261 OP2 DC C 6 -12.902 -0.144 -6.148 1.00 0.00 O ATOM 262 O5' DC C 6 -13.602 -0.211 -3.742 1.00 0.00 O ATOM 263 C5' DC C 6 -14.285 -0.941 -2.710 1.00 0.00 C ATOM 264 C4' DC C 6 -13.350 -1.752 -1.805 1.00 0.00 C ATOM 265 O4' DC C 6 -12.331 -0.937 -1.226 1.00 0.00 O ATOM 266 C3' DC C 6 -14.087 -2.388 -0.613 1.00 0.00 C ATOM 267 O3' DC C 6 -14.857 -3.538 -0.974 1.00 0.00 O ATOM 268 C2' DC C 6 -12.866 -2.775 0.191 1.00 0.00 C ATOM 269 C1' DC C 6 -11.958 -1.551 0.018 1.00 0.00 C ATOM 270 N1 DC C 6 -11.964 -0.586 1.156 1.00 0.00 N ATOM 271 C2 DC C 6 -11.319 -0.945 2.341 1.00 0.00 C ATOM 272 O2 DC C 6 -10.759 -2.031 2.478 1.00 0.00 O ATOM 273 N3 DC C 6 -11.321 -0.059 3.365 1.00 0.00 N ATOM 274 C4 DC C 6 -11.921 1.132 3.259 1.00 0.00 C ATOM 275 N4 DC C 6 -11.886 1.962 4.301 1.00 0.00 N ATOM 276 C5 DC C 6 -12.590 1.522 2.055 1.00 0.00 C ATOM 277 C6 DC C 6 -12.583 0.630 1.031 1.00 0.00 C ATOM 0 H5' DC C 6 -15.005 -1.617 -3.171 1.00 0.00 H new ATOM 0 H5'' DC C 6 -14.852 -0.241 -2.097 1.00 0.00 H new ATOM 0 H4' DC C 6 -12.933 -2.516 -2.461 1.00 0.00 H new ATOM 0 H3' DC C 6 -14.824 -1.751 -0.125 1.00 0.00 H new ATOM 0 H2' DC C 6 -13.109 -2.956 1.238 1.00 0.00 H new ATOM 0 H2'' DC C 6 -12.400 -3.684 -0.190 1.00 0.00 H new ATOM 0 HO3' DC C 6 -15.300 -3.899 -0.177 1.00 0.00 H new ATOM 0 H1' DC C 6 -10.921 -1.886 0.006 1.00 0.00 H new ATOM 0 H41 DC C 6 -12.337 2.875 4.241 1.00 0.00 H new ATOM 0 H42 DC C 6 -11.408 1.684 5.158 1.00 0.00 H new ATOM 0 H5 DC C 6 -13.078 2.481 1.965 1.00 0.00 H new ATOM 0 H6 DC C 6 -13.073 0.883 0.103 1.00 0.00 H new TER 290 DC C 6 ATOM 291 O5' DG D 1 -7.627 -1.959 12.467 1.00 0.00 O ATOM 292 C5' DG D 1 -8.124 -3.091 13.183 1.00 0.00 C ATOM 293 C4' DG D 1 -8.367 -4.309 12.284 1.00 0.00 C ATOM 294 O4' DG D 1 -9.336 -4.048 11.243 1.00 0.00 O ATOM 295 C3' DG D 1 -7.146 -4.834 11.567 1.00 0.00 C ATOM 296 O3' DG D 1 -7.347 -6.218 11.239 1.00 0.00 O ATOM 297 C2' DG D 1 -7.171 -3.903 10.377 1.00 0.00 C ATOM 298 C1' DG D 1 -8.648 -3.888 9.978 1.00 0.00 C ATOM 299 N9 DG D 1 -9.040 -2.600 9.369 1.00 0.00 N ATOM 300 C8 DG D 1 -9.184 -1.386 9.968 1.00 0.00 C ATOM 301 N7 DG D 1 -9.568 -0.408 9.208 1.00 0.00 N ATOM 302 C5 DG D 1 -9.693 -1.029 7.968 1.00 0.00 C ATOM 303 C6 DG D 1 -10.105 -0.486 6.726 1.00 0.00 C ATOM 304 O6 DG D 1 -10.436 0.666 6.460 1.00 0.00 O ATOM 305 N1 DG D 1 -10.121 -1.441 5.726 1.00 0.00 N ATOM 306 C2 DG D 1 -9.781 -2.768 5.887 1.00 0.00 C ATOM 307 N2 DG D 1 -9.851 -3.536 4.799 1.00 0.00 N ATOM 308 N3 DG D 1 -9.393 -3.289 7.058 1.00 0.00 N ATOM 309 C4 DG D 1 -9.371 -2.366 8.051 1.00 0.00 C ATOM 0 H5' DG D 1 -9.056 -2.820 13.678 1.00 0.00 H new ATOM 0 H5'' DG D 1 -7.414 -3.360 13.965 1.00 0.00 H new ATOM 0 H4' DG D 1 -8.718 -5.050 13.003 1.00 0.00 H new ATOM 0 H3' DG D 1 -6.195 -4.834 12.100 1.00 0.00 H new ATOM 0 H2' DG D 1 -6.814 -2.907 10.637 1.00 0.00 H new ATOM 0 H2'' DG D 1 -6.539 -4.267 9.567 1.00 0.00 H new ATOM 0 HO5' DG D 1 -7.492 -1.213 13.088 1.00 0.00 H new ATOM 0 H1' DG D 1 -8.878 -4.656 9.240 1.00 0.00 H new ATOM 0 H8 DG D 1 -8.989 -1.245 11.021 1.00 0.00 H new ATOM 0 H1 DG D 1 -10.407 -1.140 4.794 1.00 0.00 H new ATOM 0 H21 DG D 1 -9.611 -4.526 4.857 1.00 0.00 H new ATOM 0 H22 DG D 1 -10.144 -3.134 3.909 1.00 0.00 H new ATOM 322 P DA D 2 -6.396 -7.065 10.248 1.00 0.00 P ATOM 323 OP1 DA D 2 -6.718 -8.499 10.418 1.00 0.00 O ATOM 324 OP2 DA D 2 -5.001 -6.597 10.415 1.00 0.00 O ATOM 325 O5' DA D 2 -6.912 -6.599 8.790 1.00 0.00 O ATOM 326 C5' DA D 2 -6.522 -7.299 7.600 1.00 0.00 C ATOM 327 C4' DA D 2 -5.641 -6.457 6.681 1.00 0.00 C ATOM 328 O4' DA D 2 -6.330 -5.259 6.267 1.00 0.00 O ATOM 329 C3' DA D 2 -4.366 -5.991 7.348 1.00 0.00 C ATOM 330 O3' DA D 2 -3.298 -6.930 7.176 1.00 0.00 O ATOM 331 C2' DA D 2 -4.097 -4.639 6.666 1.00 0.00 C ATOM 332 C1' DA D 2 -5.360 -4.268 5.882 1.00 0.00 C ATOM 333 N9 DA D 2 -5.863 -2.884 6.093 1.00 0.00 N ATOM 334 C8 DA D 2 -5.778 -2.037 7.165 1.00 0.00 C ATOM 335 N7 DA D 2 -6.309 -0.861 7.015 1.00 0.00 N ATOM 336 C5 DA D 2 -6.801 -0.923 5.714 1.00 0.00 C ATOM 337 C6 DA D 2 -7.494 0.000 4.920 1.00 0.00 C ATOM 338 N6 DA D 2 -7.810 1.229 5.328 1.00 0.00 N ATOM 339 N1 DA D 2 -7.839 -0.394 3.687 1.00 0.00 N ATOM 340 C2 DA D 2 -7.522 -1.611 3.265 1.00 0.00 C ATOM 341 N3 DA D 2 -6.874 -2.562 3.912 1.00 0.00 N ATOM 342 C4 DA D 2 -6.537 -2.145 5.151 1.00 0.00 C ATOM 0 H5' DA D 2 -7.415 -7.608 7.057 1.00 0.00 H new ATOM 0 H5'' DA D 2 -5.987 -8.207 7.877 1.00 0.00 H new ATOM 0 H4' DA D 2 -5.405 -7.110 5.840 1.00 0.00 H new ATOM 0 H3' DA D 2 -4.450 -5.900 8.431 1.00 0.00 H new ATOM 0 H2' DA D 2 -3.865 -3.874 7.407 1.00 0.00 H new ATOM 0 H2'' DA D 2 -3.237 -4.708 6.000 1.00 0.00 H new ATOM 0 H1' DA D 2 -5.142 -4.268 4.814 1.00 0.00 H new ATOM 0 H8 DA D 2 -5.296 -2.331 8.086 1.00 0.00 H new ATOM 0 H61 DA D 2 -8.316 1.859 4.705 1.00 0.00 H new ATOM 0 H62 DA D 2 -7.546 1.540 6.263 1.00 0.00 H new ATOM 0 H2 DA D 2 -7.835 -1.856 2.261 1.00 0.00 H new ATOM 354 P DT D 3 -1.829 -6.714 7.824 1.00 0.00 P ATOM 355 OP1 DT D 3 -1.136 -8.022 7.842 1.00 0.00 O ATOM 356 OP2 DT D 3 -1.974 -5.940 9.078 1.00 0.00 O ATOM 357 O5' DT D 3 -1.110 -5.771 6.728 1.00 0.00 O ATOM 358 C5' DT D 3 -1.024 -6.245 5.380 1.00 0.00 C ATOM 359 C4' DT D 3 -0.350 -5.287 4.412 1.00 0.00 C ATOM 360 O4' DT D 3 -0.964 -3.987 4.403 1.00 0.00 O ATOM 361 C3' DT D 3 1.108 -5.004 4.711 1.00 0.00 C ATOM 362 O3' DT D 3 1.981 -5.955 4.085 1.00 0.00 O ATOM 363 C2' DT D 3 1.376 -3.668 4.023 1.00 0.00 C ATOM 364 C1' DT D 3 -0.033 -3.077 3.786 1.00 0.00 C ATOM 365 N1 DT D 3 -0.147 -1.663 4.194 1.00 0.00 N ATOM 366 C2 DT D 3 -0.684 -0.781 3.259 1.00 0.00 C ATOM 367 O2 DT D 3 -1.072 -1.132 2.145 1.00 0.00 O ATOM 368 N3 DT D 3 -0.763 0.532 3.642 1.00 0.00 N ATOM 369 C4 DT D 3 -0.359 1.047 4.860 1.00 0.00 C ATOM 370 O4 DT D 3 -0.483 2.251 5.070 1.00 0.00 O ATOM 371 C5 DT D 3 0.190 0.067 5.787 1.00 0.00 C ATOM 372 C7 DT D 3 0.680 0.555 7.169 1.00 0.00 C ATOM 373 C6 DT D 3 0.274 -1.243 5.428 1.00 0.00 C ATOM 0 H5' DT D 3 -2.030 -6.457 5.019 1.00 0.00 H new ATOM 0 H5'' DT D 3 -0.478 -7.189 5.375 1.00 0.00 H new ATOM 0 H4' DT D 3 -0.455 -5.814 3.464 1.00 0.00 H new ATOM 0 H3' DT D 3 1.285 -5.029 5.786 1.00 0.00 H new ATOM 0 H2' DT D 3 1.983 -3.013 4.647 1.00 0.00 H new ATOM 0 H2'' DT D 3 1.914 -3.803 3.085 1.00 0.00 H new ATOM 0 H1' DT D 3 -0.266 -3.008 2.723 1.00 0.00 H new ATOM 0 H3 DT D 3 -1.155 1.189 2.968 1.00 0.00 H new ATOM 0 H71 DT D 3 0.555 -0.242 7.902 1.00 0.00 H new ATOM 0 H72 DT D 3 1.733 0.828 7.106 1.00 0.00 H new ATOM 0 H73 DT D 3 0.098 1.424 7.475 1.00 0.00 H new ATOM 0 H6 DT D 3 0.678 -1.961 6.126 1.00 0.00 H new ATOM 386 P DA D 4 2.515 -7.313 4.762 1.00 0.00 P ATOM 387 OP1 DA D 4 1.359 -8.217 4.955 1.00 0.00 O ATOM 388 OP2 DA D 4 3.364 -6.948 5.918 1.00 0.00 O ATOM 389 O5' DA D 4 3.461 -7.959 3.614 1.00 0.00 O ATOM 390 C5' DA D 4 4.786 -7.510 3.270 1.00 0.00 C ATOM 391 C4' DA D 4 4.802 -6.543 2.080 1.00 0.00 C ATOM 392 O4' DA D 4 4.072 -5.352 2.424 1.00 0.00 O ATOM 393 C3' DA D 4 6.222 -6.110 1.683 1.00 0.00 C ATOM 394 O3' DA D 4 6.527 -6.364 0.305 1.00 0.00 O ATOM 395 C2' DA D 4 6.217 -4.617 1.961 1.00 0.00 C ATOM 396 C1' DA D 4 4.746 -4.208 1.895 1.00 0.00 C ATOM 397 N9 DA D 4 4.469 -3.065 2.797 1.00 0.00 N ATOM 398 C8 DA D 4 4.803 -2.904 4.117 1.00 0.00 C ATOM 399 N7 DA D 4 4.426 -1.798 4.674 1.00 0.00 N ATOM 400 C5 DA D 4 3.774 -1.150 3.630 1.00 0.00 C ATOM 401 C6 DA D 4 3.148 0.094 3.558 1.00 0.00 C ATOM 402 N6 DA D 4 3.065 0.922 4.599 1.00 0.00 N ATOM 403 N1 DA D 4 2.620 0.441 2.381 1.00 0.00 N ATOM 404 C2 DA D 4 2.700 -0.375 1.341 1.00 0.00 C ATOM 405 N3 DA D 4 3.263 -1.573 1.278 1.00 0.00 N ATOM 406 C4 DA D 4 3.791 -1.906 2.482 1.00 0.00 C ATOM 0 H5' DA D 4 5.407 -8.375 3.037 1.00 0.00 H new ATOM 0 H5'' DA D 4 5.233 -7.020 4.135 1.00 0.00 H new ATOM 0 H4' DA D 4 4.352 -7.074 1.241 1.00 0.00 H new ATOM 0 H3' DA D 4 6.980 -6.666 2.234 1.00 0.00 H new ATOM 0 H2' DA D 4 6.645 -4.396 2.939 1.00 0.00 H new ATOM 0 H2'' DA D 4 6.811 -4.076 1.224 1.00 0.00 H new ATOM 0 H1' DA D 4 4.446 -3.916 0.889 1.00 0.00 H new ATOM 0 H8 DA D 4 5.351 -3.659 4.662 1.00 0.00 H new ATOM 0 H61 DA D 4 2.597 1.823 4.498 1.00 0.00 H new ATOM 0 H62 DA D 4 3.470 0.655 5.496 1.00 0.00 H new ATOM 0 H2 DA D 4 2.249 -0.018 0.427 1.00 0.00 H new ATOM 418 P DT D 5 7.645 -7.465 -0.099 1.00 0.00 P ATOM 419 OP1 DT D 5 6.982 -8.784 -0.193 1.00 0.00 O ATOM 420 OP2 DT D 5 8.811 -7.292 0.796 1.00 0.00 O ATOM 421 O5' DT D 5 8.089 -7.010 -1.578 1.00 0.00 O ATOM 422 C5' DT D 5 7.183 -7.051 -2.683 1.00 0.00 C ATOM 423 C4' DT D 5 7.491 -5.952 -3.692 1.00 0.00 C ATOM 424 O4' DT D 5 7.413 -4.679 -3.037 1.00 0.00 O ATOM 425 C3' DT D 5 8.864 -6.068 -4.352 1.00 0.00 C ATOM 426 O3' DT D 5 8.674 -6.192 -5.767 1.00 0.00 O ATOM 427 C2' DT D 5 9.570 -4.753 -3.959 1.00 0.00 C ATOM 428 C1' DT D 5 8.436 -3.805 -3.527 1.00 0.00 C ATOM 429 N1 DT D 5 8.771 -2.895 -2.389 1.00 0.00 N ATOM 430 C2 DT D 5 8.578 -1.530 -2.567 1.00 0.00 C ATOM 431 O2 DT D 5 8.167 -1.035 -3.614 1.00 0.00 O ATOM 432 N3 DT D 5 8.882 -0.734 -1.483 1.00 0.00 N ATOM 433 C4 DT D 5 9.356 -1.155 -0.258 1.00 0.00 C ATOM 434 O4 DT D 5 9.582 -0.320 0.613 1.00 0.00 O ATOM 435 C5 DT D 5 9.539 -2.587 -0.135 1.00 0.00 C ATOM 436 C7 DT D 5 10.078 -3.129 1.222 1.00 0.00 C ATOM 437 C6 DT D 5 9.243 -3.399 -1.193 1.00 0.00 C ATOM 0 H5' DT D 5 6.160 -6.940 -2.322 1.00 0.00 H new ATOM 0 H5'' DT D 5 7.245 -8.024 -3.171 1.00 0.00 H new ATOM 0 H4' DT D 5 6.750 -6.056 -4.485 1.00 0.00 H new ATOM 0 H3' DT D 5 9.453 -6.932 -4.043 1.00 0.00 H new ATOM 0 H2' DT D 5 10.280 -4.914 -3.148 1.00 0.00 H new ATOM 0 H2'' DT D 5 10.131 -4.341 -4.797 1.00 0.00 H new ATOM 0 H1' DT D 5 8.182 -3.169 -4.375 1.00 0.00 H new ATOM 0 H3 DT D 5 8.742 0.270 -1.599 1.00 0.00 H new ATOM 0 H71 DT D 5 9.689 -4.133 1.393 1.00 0.00 H new ATOM 0 H72 DT D 5 11.167 -3.162 1.194 1.00 0.00 H new ATOM 0 H73 DT D 5 9.756 -2.472 2.030 1.00 0.00 H new ATOM 0 H6 DT D 5 9.382 -4.465 -1.091 1.00 0.00 H new ATOM 450 P DC D 6 9.610 -7.136 -6.690 1.00 0.00 P ATOM 451 OP1 DC D 6 8.796 -7.613 -7.832 1.00 0.00 O ATOM 452 OP2 DC D 6 10.303 -8.116 -5.824 1.00 0.00 O ATOM 453 O5' DC D 6 10.707 -6.098 -7.245 1.00 0.00 O ATOM 454 C5' DC D 6 10.370 -5.128 -8.245 1.00 0.00 C ATOM 455 C4' DC D 6 10.992 -3.772 -7.942 1.00 0.00 C ATOM 456 O4' DC D 6 10.586 -3.262 -6.659 1.00 0.00 O ATOM 457 C3' DC D 6 12.521 -3.806 -7.896 1.00 0.00 C ATOM 458 O3' DC D 6 13.126 -3.841 -9.188 1.00 0.00 O ATOM 459 C2' DC D 6 12.731 -2.443 -7.267 1.00 0.00 C ATOM 460 C1' DC D 6 11.541 -2.246 -6.307 1.00 0.00 C ATOM 461 N1 DC D 6 11.790 -2.018 -4.843 1.00 0.00 N ATOM 462 C2 DC D 6 11.308 -0.822 -4.306 1.00 0.00 C ATOM 463 O2 DC D 6 10.694 -0.009 -4.993 1.00 0.00 O ATOM 464 N3 DC D 6 11.526 -0.560 -2.997 1.00 0.00 N ATOM 465 C4 DC D 6 12.187 -1.414 -2.216 1.00 0.00 C ATOM 466 N4 DC D 6 12.372 -1.093 -0.936 1.00 0.00 N ATOM 467 C5 DC D 6 12.692 -2.650 -2.729 1.00 0.00 C ATOM 468 C6 DC D 6 12.468 -2.910 -4.048 1.00 0.00 C ATOM 0 H5' DC D 6 9.286 -5.027 -8.304 1.00 0.00 H new ATOM 0 H5'' DC D 6 10.711 -5.476 -9.220 1.00 0.00 H new ATOM 0 H4' DC D 6 10.643 -3.140 -8.759 1.00 0.00 H new ATOM 0 H3' DC D 6 12.944 -4.675 -7.392 1.00 0.00 H new ATOM 0 H2' DC D 6 13.679 -2.400 -6.731 1.00 0.00 H new ATOM 0 H2'' DC D 6 12.757 -1.660 -8.025 1.00 0.00 H new ATOM 0 HO3' DC D 6 14.101 -3.860 -9.092 1.00 0.00 H new ATOM 0 H1' DC D 6 11.140 -1.245 -6.464 1.00 0.00 H new ATOM 0 H41 DC D 6 12.875 -1.730 -0.318 1.00 0.00 H new ATOM 0 H42 DC D 6 12.011 -0.210 -0.574 1.00 0.00 H new ATOM 0 H5 DC D 6 13.227 -3.346 -2.100 1.00 0.00 H new ATOM 0 H6 DC D 6 12.830 -3.833 -4.476 1.00 0.00 H new TER 481 DC D 6 HETATM 482 N1 QUI A 0 -4.724 -0.164 2.258 1.00 0.00 N HETATM 483 C2 QUI A 0 -5.194 1.032 1.854 1.00 0.00 C HETATM 484 C3 QUI A 0 -5.110 2.149 2.696 1.00 0.00 C HETATM 485 N4 QUI A 0 -4.563 2.062 3.919 1.00 0.00 N HETATM 486 C5 QUI A 0 -3.532 0.778 5.586 1.00 0.00 C HETATM 487 C6 QUI A 0 -3.039 -0.443 6.031 1.00 0.00 C HETATM 488 C7 QUI A 0 -3.108 -1.586 5.211 1.00 0.00 C HETATM 489 C8 QUI A 0 -3.683 -1.479 3.933 1.00 0.00 C HETATM 490 C9 QUI A 0 -4.177 -0.252 3.485 1.00 0.00 C HETATM 491 C10 QUI A 0 -4.097 0.866 4.316 1.00 0.00 C HETATM 492 C QUI A 0 -5.809 1.133 0.509 1.00 0.00 C HETATM 493 O1 QUI A 0 -6.527 2.109 0.239 1.00 0.00 O HETATM 0 H8 QUI A 0 -3.744 -2.357 3.289 1.00 0.00 H new HETATM 0 H7 QUI A 0 -2.720 -2.542 5.563 1.00 0.00 H new HETATM 0 H6 QUI A 0 -2.595 -0.517 7.024 1.00 0.00 H new HETATM 0 H5 QUI A 0 -3.477 1.659 6.225 1.00 0.00 H new HETATM 0 H3 QUI A 0 -5.497 3.108 2.351 1.00 0.00 H new HETATM 499 N1 QUI A 9 4.803 1.302 -0.819 1.00 0.00 N HETATM 500 C2 QUI A 9 5.372 0.302 -0.120 1.00 0.00 C HETATM 501 C3 QUI A 9 5.797 0.511 1.199 1.00 0.00 C HETATM 502 N4 QUI A 9 5.651 1.705 1.798 1.00 0.00 N HETATM 503 C5 QUI A 9 4.934 3.939 1.713 1.00 0.00 C HETATM 504 C6 QUI A 9 4.352 4.988 1.007 1.00 0.00 C HETATM 505 C7 QUI A 9 3.915 4.809 -0.318 1.00 0.00 C HETATM 506 C8 QUI A 9 4.073 3.552 -0.926 1.00 0.00 C HETATM 507 C9 QUI A 9 4.657 2.498 -0.221 1.00 0.00 C HETATM 508 C10 QUI A 9 5.083 2.700 1.092 1.00 0.00 C HETATM 509 C QUI A 9 5.536 -1.008 -0.787 1.00 0.00 C HETATM 510 O1 QUI A 9 6.377 -1.817 -0.361 1.00 0.00 O HETATM 0 H8 QUI A 9 3.738 3.399 -1.952 1.00 0.00 H new HETATM 0 H7 QUI A 9 3.460 5.634 -0.866 1.00 0.00 H new HETATM 0 H6 QUI A 9 4.233 5.960 1.487 1.00 0.00 H new HETATM 0 H5 QUI A 9 5.269 4.085 2.740 1.00 0.00 H new HETATM 0 H3 QUI A 9 6.255 -0.311 1.750 1.00 0.00 H new