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=-0.00359) 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 -5.529 0.226 -0.333 1.00 0.00 N HETATM 2 CA DSN A 1 -6.149 0.218 -1.696 1.00 0.00 C HETATM 3 C DSN A 1 -5.199 0.481 -2.883 1.00 0.00 C HETATM 4 O DSN A 1 -5.587 0.227 -4.008 1.00 0.00 O HETATM 5 CB DSN A 1 -6.857 -1.170 -1.855 1.00 0.00 C HETATM 6 OG DSN A 1 -5.819 -2.128 -1.794 1.00 0.00 O HETATM 0 HB3 DSN A 1 -7.588 -1.331 -1.063 1.00 0.00 H new HETATM 0 HB2 DSN A 1 -7.394 -1.232 -2.802 1.00 0.00 H new HETATM 0 HA DSN A 1 -6.836 1.063 -1.743 1.00 0.00 H new ATOM 11 N ALA A 2 -4.006 0.973 -2.641 1.00 0.00 N ATOM 12 CA ALA A 2 -3.062 1.237 -3.792 1.00 0.00 C ATOM 13 C ALA A 2 -2.381 -0.062 -4.250 1.00 0.00 C ATOM 14 O ALA A 2 -2.244 -0.984 -3.461 1.00 0.00 O ATOM 15 CB ALA A 2 -1.916 2.254 -3.317 1.00 0.00 C ATOM 0 H ALA A 2 -3.643 1.202 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.640 1.656 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.234 2.446 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.371 3.191 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.363 1.817 -2.486 1.00 0.00 H new HETATM 21 N NCY A 3 -1.980 -0.093 -5.512 1.00 0.00 N HETATM 22 CA NCY A 3 -1.297 -1.343 -5.980 1.00 0.00 C HETATM 23 CB NCY A 3 -2.061 -2.050 -7.122 1.00 0.00 C HETATM 24 SG NCY A 3 -1.332 -3.577 -7.777 1.00 0.00 S HETATM 25 CN NCY A 3 -2.315 0.791 -6.686 1.00 0.00 C HETATM 26 C NCY A 3 0.103 -0.984 -6.444 1.00 0.00 C HETATM 27 O NCY A 3 0.375 -0.765 -7.610 1.00 0.00 O HETATM 0 HCN3 NCY A 3 -1.399 1.062 -7.211 1.00 0.00 H new HETATM 0 HCN2 NCY A 3 -2.978 0.257 -7.366 1.00 0.00 H new HETATM 0 HCN1 NCY A 3 -2.810 1.695 -6.331 1.00 0.00 H new HETATM 0 HB3 NCY A 3 -3.066 -2.279 -6.767 1.00 0.00 H new HETATM 0 HB2 NCY A 3 -2.168 -1.345 -7.946 1.00 0.00 H new HETATM 0 HA NCY A 3 -1.265 -2.042 -5.144 1.00 0.00 H new ATOM 34 N VAL A 4 0.952 -0.941 -5.448 1.00 0.00 N ATOM 35 CA VAL A 4 2.389 -0.598 -5.653 1.00 0.00 C ATOM 36 C VAL A 4 3.161 -1.834 -5.121 1.00 0.00 C ATOM 37 O VAL A 4 2.743 -2.961 -5.308 1.00 0.00 O ATOM 38 CB VAL A 4 2.667 0.771 -4.810 1.00 0.00 C ATOM 39 CG1 VAL A 4 4.154 1.500 -4.862 1.00 0.00 C ATOM 40 CG2 VAL A 4 1.655 2.073 -5.145 1.00 0.00 C ATOM 0 H VAL A 4 0.701 -1.134 -4.479 1.00 0.00 H new ATOM 0 HA VAL A 4 2.694 -0.404 -6.681 1.00 0.00 H new ATOM 0 HB VAL A 4 2.505 0.288 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.143 2.394 -4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.911 0.809 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.388 1.777 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.938 2.923 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.748 2.345 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.623 1.796 -4.932 1.00 0.00 H new HETATM 50 N DSN A 5 4.983 -1.438 -1.760 1.00 0.00 N HETATM 51 CA DSN A 5 5.104 -2.712 -2.536 1.00 0.00 C HETATM 52 C DSN A 5 3.893 -3.662 -2.480 1.00 0.00 C HETATM 53 O DSN A 5 3.885 -4.626 -3.222 1.00 0.00 O HETATM 54 CB DSN A 5 5.416 -2.318 -4.020 1.00 0.00 C HETATM 55 OG DSN A 5 4.288 -1.587 -4.456 1.00 0.00 O HETATM 0 HB3 DSN A 5 6.323 -1.717 -4.085 1.00 0.00 H new HETATM 0 HB2 DSN A 5 5.574 -3.203 -4.637 1.00 0.00 H new HETATM 0 HA DSN A 5 5.900 -3.291 -2.068 1.00 0.00 H new ATOM 60 N ALA A 6 2.915 -3.404 -1.639 1.00 0.00 N ATOM 61 CA ALA A 6 1.728 -4.339 -1.583 1.00 0.00 C ATOM 62 C ALA A 6 0.679 -3.987 -2.651 1.00 0.00 C ATOM 63 O ALA A 6 0.597 -2.840 -3.062 1.00 0.00 O ATOM 64 CB ALA A 6 1.045 -4.222 -0.132 1.00 0.00 C ATOM 0 H ALA A 6 2.881 -2.608 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 6 2.083 -5.352 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.187 -4.892 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.769 -4.498 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.715 -3.196 0.033 1.00 0.00 H new HETATM 70 N NCY A 7 -0.088 -4.985 -3.069 1.00 0.00 N HETATM 71 CA NCY A 7 -1.130 -4.668 -4.100 1.00 0.00 C HETATM 72 CB NCY A 7 -0.968 -5.496 -5.389 1.00 0.00 C HETATM 73 SG NCY A 7 -2.126 -5.118 -6.733 1.00 0.00 S HETATM 74 CN NCY A 7 -0.006 -6.478 -2.871 1.00 0.00 C HETATM 75 C NCY A 7 -2.496 -4.928 -3.486 1.00 0.00 C HETATM 76 O NCY A 7 -3.128 -5.948 -3.691 1.00 0.00 O HETATM 0 HCN3 NCY A 7 -0.972 -6.854 -2.535 1.00 0.00 H new HETATM 0 HCN2 NCY A 7 0.262 -6.956 -3.813 1.00 0.00 H new HETATM 0 HCN1 NCY A 7 0.752 -6.705 -2.121 1.00 0.00 H new HETATM 0 HB3 NCY A 7 0.047 -5.356 -5.761 1.00 0.00 H new HETATM 0 HB2 NCY A 7 -1.071 -6.551 -5.134 1.00 0.00 H new HETATM 0 HA NCY A 7 -1.018 -3.623 -4.389 1.00 0.00 H new ATOM 83 N VAL A 8 -2.888 -3.934 -2.727 1.00 0.00 N ATOM 84 CA VAL A 8 -4.193 -3.956 -2.003 1.00 0.00 C ATOM 85 C VAL A 8 -4.973 -2.759 -2.607 1.00 0.00 C ATOM 86 O VAL A 8 -4.806 -2.425 -3.764 1.00 0.00 O ATOM 87 CB VAL A 8 -3.845 -3.799 -0.413 1.00 0.00 C ATOM 88 CG1 VAL A 8 -5.069 -3.765 0.692 1.00 0.00 C ATOM 89 CG2 VAL A 8 -2.815 -4.954 0.264 1.00 0.00 C ATOM 0 H VAL A 8 -2.341 -3.086 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.792 -4.861 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.397 -2.814 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.652 -3.656 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.728 -2.923 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.637 -4.694 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.667 -4.734 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.259 -5.944 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.854 -4.930 -0.250 1.00 0.00 H new TER 99 VAL A 8 ATOM 100 O5' DG C 1 10.533 12.055 -0.275 1.00 0.00 O ATOM 101 C5' DG C 1 11.238 10.906 -0.749 1.00 0.00 C ATOM 102 C4' DG C 1 10.833 10.524 -2.175 1.00 0.00 C ATOM 103 O4' DG C 1 11.548 9.336 -2.595 1.00 0.00 O ATOM 104 C3' DG C 1 9.354 10.210 -2.289 1.00 0.00 C ATOM 105 O3' DG C 1 8.743 10.440 -3.578 1.00 0.00 O ATOM 106 C2' DG C 1 9.424 8.772 -1.823 1.00 0.00 C ATOM 107 C1' DG C 1 10.637 8.215 -2.567 1.00 0.00 C ATOM 108 N9 DG C 1 11.186 7.033 -1.870 1.00 0.00 N ATOM 109 C8 DG C 1 11.861 6.946 -0.691 1.00 0.00 C ATOM 110 N7 DG C 1 12.226 5.754 -0.326 1.00 0.00 N ATOM 111 C5 DG C 1 11.745 4.963 -1.368 1.00 0.00 C ATOM 112 C6 DG C 1 11.860 3.565 -1.574 1.00 0.00 C ATOM 113 O6 DG C 1 12.383 2.717 -0.855 1.00 0.00 O ATOM 114 N1 DG C 1 11.280 3.174 -2.768 1.00 0.00 N ATOM 115 C2 DG C 1 10.658 4.016 -3.667 1.00 0.00 C ATOM 116 N2 DG C 1 10.153 3.458 -4.767 1.00 0.00 N ATOM 117 N3 DG C 1 10.546 5.334 -3.477 1.00 0.00 N ATOM 118 C4 DG C 1 11.111 5.735 -2.314 1.00 0.00 C ATOM 0 H5' DG C 1 11.048 10.065 -0.082 1.00 0.00 H new ATOM 0 H5'' DG C 1 12.310 11.102 -0.718 1.00 0.00 H new ATOM 0 H4' DG C 1 11.073 11.383 -2.801 1.00 0.00 H new ATOM 0 H3' DG C 1 8.687 10.860 -1.722 1.00 0.00 H new ATOM 0 H2' DG C 1 9.551 8.706 -0.742 1.00 0.00 H new ATOM 0 H2'' DG C 1 8.515 8.225 -2.071 1.00 0.00 H new ATOM 0 HO5' DG C 1 10.821 12.262 0.639 1.00 0.00 H new ATOM 0 H1' DG C 1 10.415 7.851 -3.570 1.00 0.00 H new ATOM 0 H8 DG C 1 12.081 7.818 -0.093 1.00 0.00 H new ATOM 0 H1 DG C 1 11.315 2.182 -3.003 1.00 0.00 H new ATOM 0 H21 DG C 1 9.683 4.037 -5.463 1.00 0.00 H new ATOM 0 H22 DG C 1 10.236 2.452 -4.913 1.00 0.00 H new ATOM 131 P DA C 2 9.146 9.827 -5.019 1.00 0.00 P ATOM 132 OP1 DA C 2 10.618 9.872 -5.167 1.00 0.00 O ATOM 133 OP2 DA C 2 8.292 10.476 -6.039 1.00 0.00 O ATOM 134 O5' DA C 2 8.697 8.280 -4.879 1.00 0.00 O ATOM 135 C5' DA C 2 7.546 7.744 -5.547 1.00 0.00 C ATOM 136 C4' DA C 2 6.527 7.118 -4.599 1.00 0.00 C ATOM 137 O4' DA C 2 7.135 6.073 -3.810 1.00 0.00 O ATOM 138 C3' DA C 2 5.894 8.092 -3.611 1.00 0.00 C ATOM 139 O3' DA C 2 4.586 8.491 -4.040 1.00 0.00 O ATOM 140 C2' DA C 2 5.894 7.306 -2.285 1.00 0.00 C ATOM 141 C1' DA C 2 6.364 5.890 -2.610 1.00 0.00 C ATOM 142 N9 DA C 2 7.184 5.219 -1.563 1.00 0.00 N ATOM 143 C8 DA C 2 7.561 5.629 -0.312 1.00 0.00 C ATOM 144 N7 DA C 2 8.273 4.793 0.380 1.00 0.00 N ATOM 145 C5 DA C 2 8.391 3.711 -0.488 1.00 0.00 C ATOM 146 C6 DA C 2 9.054 2.480 -0.377 1.00 0.00 C ATOM 147 N6 DA C 2 9.724 2.103 0.712 1.00 0.00 N ATOM 148 N1 DA C 2 8.995 1.655 -1.430 1.00 0.00 N ATOM 149 C2 DA C 2 8.329 2.016 -2.518 1.00 0.00 C ATOM 150 N3 DA C 2 7.665 3.140 -2.742 1.00 0.00 N ATOM 151 C4 DA C 2 7.737 3.959 -1.669 1.00 0.00 C ATOM 0 H5' DA C 2 7.871 6.992 -6.266 1.00 0.00 H new ATOM 0 H5'' DA C 2 7.062 8.539 -6.114 1.00 0.00 H new ATOM 0 H4' DA C 2 5.748 6.742 -5.262 1.00 0.00 H new ATOM 0 H3' DA C 2 6.433 9.035 -3.517 1.00 0.00 H new ATOM 0 H2' DA C 2 6.556 7.775 -1.558 1.00 0.00 H new ATOM 0 H2'' DA C 2 4.897 7.291 -1.845 1.00 0.00 H new ATOM 0 H1' DA C 2 5.506 5.224 -2.700 1.00 0.00 H new ATOM 0 H8 DA C 2 7.281 6.596 0.078 1.00 0.00 H new ATOM 0 H61 DA C 2 10.188 1.195 0.737 1.00 0.00 H new ATOM 0 H62 DA C 2 9.773 2.723 1.521 1.00 0.00 H new ATOM 0 H2 DA C 2 8.328 1.300 -3.327 1.00 0.00 H new ATOM 163 P DT C 3 3.548 9.375 -3.162 1.00 0.00 P ATOM 164 OP1 DT C 3 2.902 10.360 -4.059 1.00 0.00 O ATOM 165 OP2 DT C 3 4.224 9.836 -1.927 1.00 0.00 O ATOM 166 O5' DT C 3 2.457 8.258 -2.760 1.00 0.00 O ATOM 167 C5' DT C 3 1.856 7.506 -3.821 1.00 0.00 C ATOM 168 C4' DT C 3 0.915 6.406 -3.362 1.00 0.00 C ATOM 169 O4' DT C 3 1.550 5.539 -2.410 1.00 0.00 O ATOM 170 C3' DT C 3 -0.315 6.927 -2.646 1.00 0.00 C ATOM 171 O3' DT C 3 -1.362 7.252 -3.572 1.00 0.00 O ATOM 172 C2' DT C 3 -0.757 5.741 -1.779 1.00 0.00 C ATOM 173 C1' DT C 3 0.525 4.874 -1.649 1.00 0.00 C ATOM 174 N1 DT C 3 0.921 4.557 -0.255 1.00 0.00 N ATOM 175 C2 DT C 3 1.252 3.232 0.013 1.00 0.00 C ATOM 176 O2 DT C 3 1.233 2.345 -0.839 1.00 0.00 O ATOM 177 N3 DT C 3 1.610 2.948 1.307 1.00 0.00 N ATOM 178 C4 DT C 3 1.667 3.851 2.352 1.00 0.00 C ATOM 179 O4 DT C 3 1.999 3.462 3.466 1.00 0.00 O ATOM 180 C5 DT C 3 1.309 5.214 2.004 1.00 0.00 C ATOM 181 C7 DT C 3 1.336 6.280 3.130 1.00 0.00 C ATOM 182 C6 DT C 3 0.954 5.520 0.724 1.00 0.00 C ATOM 0 H5' DT C 3 2.646 7.061 -4.426 1.00 0.00 H new ATOM 0 H5'' DT C 3 1.306 8.190 -4.467 1.00 0.00 H new ATOM 0 H4' DT C 3 0.638 5.893 -4.283 1.00 0.00 H new ATOM 0 H3' DT C 3 -0.105 7.836 -2.082 1.00 0.00 H new ATOM 0 H2' DT C 3 -1.117 6.071 -0.804 1.00 0.00 H new ATOM 0 H2'' DT C 3 -1.569 5.185 -2.247 1.00 0.00 H new ATOM 0 H1' DT C 3 0.336 3.879 -2.053 1.00 0.00 H new ATOM 0 H3 DT C 3 1.857 1.981 1.517 1.00 0.00 H new ATOM 0 H71 DT C 3 1.107 5.807 4.085 1.00 0.00 H new ATOM 0 H72 DT C 3 2.326 6.733 3.178 1.00 0.00 H new ATOM 0 H73 DT C 3 0.594 7.050 2.920 1.00 0.00 H new ATOM 0 H6 DT C 3 0.694 6.538 0.475 1.00 0.00 H new ATOM 195 P DA C 4 -2.584 8.226 -3.165 1.00 0.00 P ATOM 196 OP1 DA C 4 -2.204 9.608 -3.532 1.00 0.00 O ATOM 197 OP2 DA C 4 -2.982 7.922 -1.771 1.00 0.00 O ATOM 198 O5' DA C 4 -3.775 7.758 -4.159 1.00 0.00 O ATOM 199 C5' DA C 4 -5.079 7.392 -3.684 1.00 0.00 C ATOM 200 C4' DA C 4 -5.249 5.878 -3.502 1.00 0.00 C ATOM 201 O4' DA C 4 -4.253 5.380 -2.590 1.00 0.00 O ATOM 202 C3' DA C 4 -6.641 5.559 -2.919 1.00 0.00 C ATOM 203 O3' DA C 4 -7.297 4.447 -3.560 1.00 0.00 O ATOM 204 C2' DA C 4 -6.273 5.319 -1.461 1.00 0.00 C ATOM 205 C1' DA C 4 -4.898 4.659 -1.538 1.00 0.00 C ATOM 206 N9 DA C 4 -4.085 4.827 -0.307 1.00 0.00 N ATOM 207 C8 DA C 4 -3.899 5.938 0.476 1.00 0.00 C ATOM 208 N7 DA C 4 -3.113 5.796 1.494 1.00 0.00 N ATOM 209 C5 DA C 4 -2.732 4.464 1.391 1.00 0.00 C ATOM 210 C6 DA C 4 -1.928 3.663 2.201 1.00 0.00 C ATOM 211 N6 DA C 4 -1.312 4.133 3.283 1.00 0.00 N ATOM 212 N1 DA C 4 -1.793 2.377 1.853 1.00 0.00 N ATOM 213 C2 DA C 4 -2.408 1.909 0.777 1.00 0.00 C ATOM 214 N3 DA C 4 -3.191 2.563 -0.069 1.00 0.00 N ATOM 215 C4 DA C 4 -3.313 3.861 0.304 1.00 0.00 C ATOM 0 H5' DA C 4 -5.830 7.754 -4.386 1.00 0.00 H new ATOM 0 H5'' DA C 4 -5.266 7.890 -2.732 1.00 0.00 H new ATOM 0 H4' DA C 4 -5.140 5.404 -4.477 1.00 0.00 H new ATOM 0 H3' DA C 4 -7.387 6.341 -3.065 1.00 0.00 H new ATOM 0 H2' DA C 4 -6.238 6.252 -0.898 1.00 0.00 H new ATOM 0 H2'' DA C 4 -6.999 4.675 -0.966 1.00 0.00 H new ATOM 0 H1' DA C 4 -4.999 3.584 -1.685 1.00 0.00 H new ATOM 0 H8 DA C 4 -4.382 6.879 0.255 1.00 0.00 H new ATOM 0 H61 DA C 4 -0.732 3.514 3.849 1.00 0.00 H new ATOM 0 H62 DA C 4 -1.420 5.113 3.546 1.00 0.00 H new ATOM 0 H2 DA C 4 -2.252 0.862 0.562 1.00 0.00 H new ATOM 227 P DT C 5 -8.839 4.613 -4.050 1.00 0.00 P ATOM 228 OP1 DT C 5 -8.987 5.977 -4.607 1.00 0.00 O ATOM 229 OP2 DT C 5 -9.733 4.189 -2.956 1.00 0.00 O ATOM 230 O5' DT C 5 -9.032 3.590 -5.281 1.00 0.00 O ATOM 231 C5' DT C 5 -8.747 2.184 -5.314 1.00 0.00 C ATOM 232 C4' DT C 5 -9.437 1.320 -4.254 1.00 0.00 C ATOM 233 O4' DT C 5 -8.953 1.548 -2.913 1.00 0.00 O ATOM 234 C3' DT C 5 -10.954 1.444 -4.196 1.00 0.00 C ATOM 235 O3' DT C 5 -11.541 0.402 -4.995 1.00 0.00 O ATOM 236 C2' DT C 5 -11.257 1.343 -2.662 1.00 0.00 C ATOM 237 C1' DT C 5 -9.915 1.024 -1.977 1.00 0.00 C ATOM 238 N1 DT C 5 -9.717 1.655 -0.635 1.00 0.00 N ATOM 239 C2 DT C 5 -9.399 0.813 0.421 1.00 0.00 C ATOM 240 O2 DT C 5 -9.297 -0.408 0.305 1.00 0.00 O ATOM 241 N3 DT C 5 -9.201 1.419 1.638 1.00 0.00 N ATOM 242 C4 DT C 5 -9.286 2.764 1.918 1.00 0.00 C ATOM 243 O4 DT C 5 -9.073 3.143 3.068 1.00 0.00 O ATOM 244 C5 DT C 5 -9.622 3.596 0.779 1.00 0.00 C ATOM 245 C7 DT C 5 -9.727 5.135 1.013 1.00 0.00 C ATOM 246 C6 DT C 5 -9.824 3.015 -0.445 1.00 0.00 C ATOM 0 H5' DT C 5 -7.670 2.052 -5.213 1.00 0.00 H new ATOM 0 H5'' DT C 5 -9.024 1.803 -6.297 1.00 0.00 H new ATOM 0 H4' DT C 5 -9.175 0.319 -4.596 1.00 0.00 H new ATOM 0 H3' DT C 5 -11.371 2.365 -4.604 1.00 0.00 H new ATOM 0 H2' DT C 5 -11.673 2.277 -2.285 1.00 0.00 H new ATOM 0 H2'' DT C 5 -11.991 0.563 -2.461 1.00 0.00 H new ATOM 0 H1' DT C 5 -9.838 -0.042 -1.765 1.00 0.00 H new ATOM 0 H3 DT C 5 -8.966 0.806 2.418 1.00 0.00 H new ATOM 0 H71 DT C 5 -9.454 5.662 0.099 1.00 0.00 H new ATOM 0 H72 DT C 5 -10.750 5.392 1.288 1.00 0.00 H new ATOM 0 H73 DT C 5 -9.051 5.428 1.816 1.00 0.00 H new ATOM 0 H6 DT C 5 -10.075 3.643 -1.287 1.00 0.00 H new ATOM 259 P DC C 6 -13.065 -0.116 -4.864 1.00 0.00 P ATOM 260 OP1 DC C 6 -13.413 -0.878 -6.084 1.00 0.00 O ATOM 261 OP2 DC C 6 -13.923 1.006 -4.417 1.00 0.00 O ATOM 262 O5' DC C 6 -12.874 -1.150 -3.647 1.00 0.00 O ATOM 263 C5' DC C 6 -13.898 -1.519 -2.721 1.00 0.00 C ATOM 264 C4' DC C 6 -13.272 -2.313 -1.578 1.00 0.00 C ATOM 265 O4' DC C 6 -12.235 -1.546 -0.958 1.00 0.00 O ATOM 266 C3' DC C 6 -14.248 -2.665 -0.438 1.00 0.00 C ATOM 267 O3' DC C 6 -15.085 -3.792 -0.712 1.00 0.00 O ATOM 268 C2' DC C 6 -13.208 -3.058 0.591 1.00 0.00 C ATOM 269 C1' DC C 6 -12.095 -2.029 0.386 1.00 0.00 C ATOM 270 N1 DC C 6 -12.037 -0.945 1.407 1.00 0.00 N ATOM 271 C2 DC C 6 -11.497 -1.249 2.657 1.00 0.00 C ATOM 272 O2 DC C 6 -11.080 -2.373 2.932 1.00 0.00 O ATOM 273 N3 DC C 6 -11.438 -0.266 3.586 1.00 0.00 N ATOM 274 C4 DC C 6 -11.882 0.967 3.329 1.00 0.00 C ATOM 275 N4 DC C 6 -11.791 1.891 4.284 1.00 0.00 N ATOM 276 C5 DC C 6 -12.441 1.304 2.053 1.00 0.00 C ATOM 277 C6 DC C 6 -12.496 0.314 1.123 1.00 0.00 C ATOM 0 H5' DC C 6 -14.660 -2.116 -3.221 1.00 0.00 H new ATOM 0 H5'' DC C 6 -14.394 -0.629 -2.334 1.00 0.00 H new ATOM 0 H4' DC C 6 -12.919 -3.231 -2.048 1.00 0.00 H new ATOM 0 H3' DC C 6 -14.957 -1.874 -0.195 1.00 0.00 H new ATOM 0 H2' DC C 6 -13.610 -3.018 1.603 1.00 0.00 H new ATOM 0 H2'' DC C 6 -12.849 -4.075 0.431 1.00 0.00 H new ATOM 0 HO3' DC C 6 -15.674 -3.956 0.054 1.00 0.00 H new ATOM 0 H1' DC C 6 -11.128 -2.510 0.530 1.00 0.00 H new ATOM 0 H41 DC C 6 -12.124 2.839 4.110 1.00 0.00 H new ATOM 0 H42 DC C 6 -11.388 1.650 5.190 1.00 0.00 H new ATOM 0 H5 DC C 6 -12.802 2.299 1.840 1.00 0.00 H new ATOM 0 H6 DC C 6 -12.907 0.523 0.147 1.00 0.00 H new TER 290 DC C 6 ATOM 291 O5' DG D 1 -9.343 -2.672 14.050 1.00 0.00 O ATOM 292 C5' DG D 1 -8.066 -3.041 13.528 1.00 0.00 C ATOM 293 C4' DG D 1 -8.169 -4.188 12.524 1.00 0.00 C ATOM 294 O4' DG D 1 -9.038 -3.843 11.423 1.00 0.00 O ATOM 295 C3' DG D 1 -6.820 -4.544 11.920 1.00 0.00 C ATOM 296 O3' DG D 1 -6.660 -5.913 11.496 1.00 0.00 O ATOM 297 C2' DG D 1 -6.801 -3.493 10.815 1.00 0.00 C ATOM 298 C1' DG D 1 -8.240 -3.546 10.255 1.00 0.00 C ATOM 299 N9 DG D 1 -8.724 -2.293 9.627 1.00 0.00 N ATOM 300 C8 DG D 1 -8.897 -1.046 10.159 1.00 0.00 C ATOM 301 N7 DG D 1 -9.366 -0.139 9.357 1.00 0.00 N ATOM 302 C5 DG D 1 -9.526 -0.845 8.167 1.00 0.00 C ATOM 303 C6 DG D 1 -10.075 -0.418 6.930 1.00 0.00 C ATOM 304 O6 DG D 1 -10.475 0.695 6.604 1.00 0.00 O ATOM 305 N1 DG D 1 -10.136 -1.452 6.013 1.00 0.00 N ATOM 306 C2 DG D 1 -9.722 -2.747 6.245 1.00 0.00 C ATOM 307 N2 DG D 1 -9.847 -3.610 5.237 1.00 0.00 N ATOM 308 N3 DG D 1 -9.206 -3.154 7.408 1.00 0.00 N ATOM 309 C4 DG D 1 -9.137 -2.156 8.320 1.00 0.00 C ATOM 0 H5' DG D 1 -7.410 -3.334 14.348 1.00 0.00 H new ATOM 0 H5'' DG D 1 -7.608 -2.177 13.046 1.00 0.00 H new ATOM 0 H4' DG D 1 -8.564 -5.034 13.086 1.00 0.00 H new ATOM 0 H3' DG D 1 -5.975 -4.515 12.608 1.00 0.00 H new ATOM 0 H2' DG D 1 -6.556 -2.504 11.203 1.00 0.00 H new ATOM 0 H2'' DG D 1 -6.062 -3.727 10.049 1.00 0.00 H new ATOM 0 HO5' DG D 1 -9.235 -1.937 14.689 1.00 0.00 H new ATOM 0 H1' DG D 1 -8.297 -4.275 9.447 1.00 0.00 H new ATOM 0 H8 DG D 1 -8.657 -0.827 11.189 1.00 0.00 H new ATOM 0 H1 DG D 1 -10.518 -1.240 5.091 1.00 0.00 H new ATOM 0 H21 DG D 1 -9.555 -4.580 5.357 1.00 0.00 H new ATOM 0 H22 DG D 1 -10.234 -3.300 4.346 1.00 0.00 H new ATOM 322 P DA D 2 -7.525 -6.781 10.434 1.00 0.00 P ATOM 323 OP1 DA D 2 -8.963 -6.499 10.645 1.00 0.00 O ATOM 324 OP2 DA D 2 -7.041 -8.178 10.508 1.00 0.00 O ATOM 325 O5' DA D 2 -7.099 -6.184 8.994 1.00 0.00 O ATOM 326 C5' DA D 2 -7.403 -6.919 7.799 1.00 0.00 C ATOM 327 C4' DA D 2 -6.701 -6.386 6.546 1.00 0.00 C ATOM 328 O4' DA D 2 -7.125 -5.054 6.168 1.00 0.00 O ATOM 329 C3' DA D 2 -5.164 -6.346 6.674 1.00 0.00 C ATOM 330 O3' DA D 2 -4.545 -6.820 5.468 1.00 0.00 O ATOM 331 C2' DA D 2 -4.948 -4.853 6.846 1.00 0.00 C ATOM 332 C1' DA D 2 -5.959 -4.259 5.885 1.00 0.00 C ATOM 333 N9 DA D 2 -6.213 -2.806 6.013 1.00 0.00 N ATOM 334 C8 DA D 2 -5.859 -1.924 6.990 1.00 0.00 C ATOM 335 N7 DA D 2 -6.225 -0.689 6.815 1.00 0.00 N ATOM 336 C5 DA D 2 -6.893 -0.750 5.594 1.00 0.00 C ATOM 337 C6 DA D 2 -7.597 0.208 4.849 1.00 0.00 C ATOM 338 N6 DA D 2 -7.691 1.495 5.191 1.00 0.00 N ATOM 339 N1 DA D 2 -8.200 -0.215 3.732 1.00 0.00 N ATOM 340 C2 DA D 2 -8.119 -1.485 3.367 1.00 0.00 C ATOM 341 N3 DA D 2 -7.490 -2.475 3.977 1.00 0.00 N ATOM 342 C4 DA D 2 -6.889 -2.031 5.102 1.00 0.00 C ATOM 0 H5' DA D 2 -8.481 -6.899 7.636 1.00 0.00 H new ATOM 0 H5'' DA D 2 -7.122 -7.962 7.945 1.00 0.00 H new ATOM 0 H4' DA D 2 -6.995 -7.103 5.779 1.00 0.00 H new ATOM 0 H3' DA D 2 -4.748 -6.963 7.470 1.00 0.00 H new ATOM 0 H2' DA D 2 -5.128 -4.533 7.872 1.00 0.00 H new ATOM 0 H2'' DA D 2 -3.929 -4.559 6.595 1.00 0.00 H new ATOM 0 H1' DA D 2 -5.605 -4.301 4.855 1.00 0.00 H new ATOM 0 H8 DA D 2 -5.304 -2.235 7.863 1.00 0.00 H new ATOM 0 H61 DA D 2 -8.219 2.141 4.605 1.00 0.00 H new ATOM 0 H62 DA D 2 -7.235 1.832 6.039 1.00 0.00 H new ATOM 0 H2 DA D 2 -8.633 -1.746 2.454 1.00 0.00 H new ATOM 354 P DT D 3 -3.004 -7.302 5.401 1.00 0.00 P ATOM 355 OP1 DT D 3 -2.643 -7.484 3.976 1.00 0.00 O ATOM 356 OP2 DT D 3 -2.826 -8.420 6.354 1.00 0.00 O ATOM 357 O5' DT D 3 -2.199 -6.022 5.964 1.00 0.00 O ATOM 358 C5' DT D 3 -0.770 -5.931 5.929 1.00 0.00 C ATOM 359 C4' DT D 3 -0.259 -5.342 4.613 1.00 0.00 C ATOM 360 O4' DT D 3 -0.838 -4.048 4.394 1.00 0.00 O ATOM 361 C3' DT D 3 1.244 -5.106 4.645 1.00 0.00 C ATOM 362 O3' DT D 3 1.959 -6.108 3.915 1.00 0.00 O ATOM 363 C2' DT D 3 1.462 -3.849 3.818 1.00 0.00 C ATOM 364 C1' DT D 3 0.056 -3.255 3.594 1.00 0.00 C ATOM 365 N1 DT D 3 -0.002 -1.829 3.989 1.00 0.00 N ATOM 366 C2 DT D 3 -0.541 -0.938 3.071 1.00 0.00 C ATOM 367 O2 DT D 3 -0.969 -1.277 1.969 1.00 0.00 O ATOM 368 N3 DT D 3 -0.574 0.377 3.462 1.00 0.00 N ATOM 369 C4 DT D 3 -0.124 0.882 4.667 1.00 0.00 C ATOM 370 O4 DT D 3 -0.211 2.086 4.887 1.00 0.00 O ATOM 371 C5 DT D 3 0.425 -0.102 5.577 1.00 0.00 C ATOM 372 C7 DT D 3 0.955 0.389 6.946 1.00 0.00 C ATOM 373 C6 DT D 3 0.467 -1.412 5.214 1.00 0.00 C ATOM 0 H5' DT D 3 -0.341 -6.923 6.072 1.00 0.00 H new ATOM 0 H5'' DT D 3 -0.427 -5.313 6.759 1.00 0.00 H new ATOM 0 H4' DT D 3 -0.526 -6.059 3.836 1.00 0.00 H new ATOM 0 H3' DT D 3 1.577 -5.079 5.683 1.00 0.00 H new ATOM 0 H2' DT D 3 2.108 -3.143 4.340 1.00 0.00 H new ATOM 0 H2'' DT D 3 1.945 -4.082 2.869 1.00 0.00 H new ATOM 0 H1' DT D 3 -0.217 -3.284 2.539 1.00 0.00 H new ATOM 0 H3 DT D 3 -0.968 1.045 2.800 1.00 0.00 H new ATOM 0 H71 DT D 3 0.834 -0.401 7.688 1.00 0.00 H new ATOM 0 H72 DT D 3 2.011 0.644 6.857 1.00 0.00 H new ATOM 0 H73 DT D 3 0.394 1.270 7.259 1.00 0.00 H new ATOM 0 H6 DT D 3 0.876 -2.139 5.900 1.00 0.00 H new ATOM 386 P DA D 4 2.547 -7.463 4.539 1.00 0.00 P ATOM 387 OP1 DA D 4 1.421 -8.395 4.768 1.00 0.00 O ATOM 388 OP2 DA D 4 3.454 -7.110 5.655 1.00 0.00 O ATOM 389 O5' DA D 4 3.435 -8.040 3.315 1.00 0.00 O ATOM 390 C5' DA D 4 4.741 -7.564 2.949 1.00 0.00 C ATOM 391 C4' DA D 4 4.738 -6.601 1.753 1.00 0.00 C ATOM 392 O4' DA D 4 4.053 -5.374 2.087 1.00 0.00 O ATOM 393 C3' DA D 4 6.178 -6.228 1.352 1.00 0.00 C ATOM 394 O3' DA D 4 6.403 -6.353 -0.062 1.00 0.00 O ATOM 395 C2' DA D 4 6.275 -4.799 1.857 1.00 0.00 C ATOM 396 C1' DA D 4 4.858 -4.257 1.683 1.00 0.00 C ATOM 397 N9 DA D 4 4.558 -3.086 2.548 1.00 0.00 N ATOM 398 C8 DA D 4 4.907 -2.842 3.855 1.00 0.00 C ATOM 399 N7 DA D 4 4.486 -1.728 4.361 1.00 0.00 N ATOM 400 C5 DA D 4 3.788 -1.162 3.301 1.00 0.00 C ATOM 401 C6 DA D 4 3.128 0.060 3.174 1.00 0.00 C ATOM 402 N6 DA D 4 3.032 0.922 4.184 1.00 0.00 N ATOM 403 N1 DA D 4 2.582 0.344 1.983 1.00 0.00 N ATOM 404 C2 DA D 4 2.682 -0.520 0.983 1.00 0.00 C ATOM 405 N3 DA D 4 3.278 -1.705 0.979 1.00 0.00 N ATOM 406 C4 DA D 4 3.821 -1.971 2.192 1.00 0.00 C ATOM 0 H5' DA D 4 5.376 -8.418 2.714 1.00 0.00 H new ATOM 0 H5'' DA D 4 5.188 -7.061 3.807 1.00 0.00 H new ATOM 0 H4' DA D 4 4.232 -7.109 0.932 1.00 0.00 H new ATOM 0 H3' DA D 4 6.942 -6.883 1.770 1.00 0.00 H new ATOM 0 H2' DA D 4 6.592 -4.763 2.899 1.00 0.00 H new ATOM 0 H2'' DA D 4 6.999 -4.220 1.283 1.00 0.00 H new ATOM 0 H1' DA D 4 4.687 -3.898 0.668 1.00 0.00 H new ATOM 0 H8 DA D 4 5.499 -3.541 4.427 1.00 0.00 H new ATOM 0 H61 DA D 4 2.541 1.807 4.054 1.00 0.00 H new ATOM 0 H62 DA D 4 3.449 0.698 5.087 1.00 0.00 H new ATOM 0 H2 DA D 4 2.220 -0.221 0.054 1.00 0.00 H new ATOM 418 P DT D 5 7.552 -7.370 -0.593 1.00 0.00 P ATOM 419 OP1 DT D 5 7.660 -8.479 0.382 1.00 0.00 O ATOM 420 OP2 DT D 5 8.762 -6.589 -0.924 1.00 0.00 O ATOM 421 O5' DT D 5 6.969 -8.004 -1.955 1.00 0.00 O ATOM 422 C5' DT D 5 6.468 -7.322 -3.114 1.00 0.00 C ATOM 423 C4' DT D 5 7.346 -6.207 -3.691 1.00 0.00 C ATOM 424 O4' DT D 5 7.422 -5.040 -2.844 1.00 0.00 O ATOM 425 C3' DT D 5 8.780 -6.617 -3.980 1.00 0.00 C ATOM 426 O3' DT D 5 8.931 -7.054 -5.338 1.00 0.00 O ATOM 427 C2' DT D 5 9.574 -5.308 -3.694 1.00 0.00 C ATOM 428 C1' DT D 5 8.547 -4.242 -3.261 1.00 0.00 C ATOM 429 N1 DT D 5 9.017 -3.358 -2.149 1.00 0.00 N ATOM 430 C2 DT D 5 8.991 -1.986 -2.361 1.00 0.00 C ATOM 431 O2 DT D 5 8.613 -1.472 -3.412 1.00 0.00 O ATOM 432 N3 DT D 5 9.418 -1.203 -1.310 1.00 0.00 N ATOM 433 C4 DT D 5 9.865 -1.646 -0.082 1.00 0.00 C ATOM 434 O4 DT D 5 10.218 -0.817 0.755 1.00 0.00 O ATOM 435 C5 DT D 5 9.869 -3.086 0.077 1.00 0.00 C ATOM 436 C7 DT D 5 10.347 -3.663 1.444 1.00 0.00 C ATOM 437 C6 DT D 5 9.450 -3.882 -0.954 1.00 0.00 C ATOM 0 H5' DT D 5 5.497 -6.895 -2.864 1.00 0.00 H new ATOM 0 H5'' DT D 5 6.299 -8.061 -3.897 1.00 0.00 H new ATOM 0 H4' DT D 5 6.834 -5.978 -4.626 1.00 0.00 H new ATOM 0 H3' DT D 5 9.124 -7.460 -3.381 1.00 0.00 H new ATOM 0 H2' DT D 5 10.315 -5.470 -2.911 1.00 0.00 H new ATOM 0 H2'' DT D 5 10.115 -4.983 -4.583 1.00 0.00 H new ATOM 0 H1' DT D 5 8.333 -3.540 -4.067 1.00 0.00 H new ATOM 0 H3 DT D 5 9.402 -0.193 -1.455 1.00 0.00 H new ATOM 0 H71 DT D 5 9.836 -4.606 1.640 1.00 0.00 H new ATOM 0 H72 DT D 5 11.423 -3.834 1.411 1.00 0.00 H new ATOM 0 H73 DT D 5 10.117 -2.954 2.239 1.00 0.00 H new ATOM 0 H6 DT D 5 9.460 -4.954 -0.825 1.00 0.00 H new ATOM 450 P DC D 6 10.358 -7.442 -6.000 1.00 0.00 P ATOM 451 OP1 DC D 6 10.103 -8.213 -7.238 1.00 0.00 O ATOM 452 OP2 DC D 6 11.234 -8.006 -4.948 1.00 0.00 O ATOM 453 O5' DC D 6 10.928 -5.987 -6.407 1.00 0.00 O ATOM 454 C5' DC D 6 10.218 -5.182 -7.357 1.00 0.00 C ATOM 455 C4' DC D 6 10.509 -3.689 -7.210 1.00 0.00 C ATOM 456 O4' DC D 6 10.234 -3.188 -5.888 1.00 0.00 O ATOM 457 C3' DC D 6 11.955 -3.265 -7.480 1.00 0.00 C ATOM 458 O3' DC D 6 12.337 -3.363 -8.854 1.00 0.00 O ATOM 459 C2' DC D 6 11.812 -1.820 -7.021 1.00 0.00 C ATOM 460 C1' DC D 6 10.861 -1.893 -5.802 1.00 0.00 C ATOM 461 N1 DC D 6 11.447 -1.495 -4.483 1.00 0.00 N ATOM 462 C2 DC D 6 11.285 -0.163 -4.098 1.00 0.00 C ATOM 463 O2 DC D 6 10.690 0.649 -4.803 1.00 0.00 O ATOM 464 N3 DC D 6 11.800 0.237 -2.912 1.00 0.00 N ATOM 465 C4 DC D 6 12.451 -0.610 -2.114 1.00 0.00 C ATOM 466 N4 DC D 6 12.933 -0.152 -0.959 1.00 0.00 N ATOM 467 C5 DC D 6 12.633 -1.982 -2.479 1.00 0.00 C ATOM 468 C6 DC D 6 12.112 -2.381 -3.673 1.00 0.00 C ATOM 0 H5' DC D 6 9.148 -5.351 -7.240 1.00 0.00 H new ATOM 0 H5'' DC D 6 10.483 -5.501 -8.365 1.00 0.00 H new ATOM 0 H4' DC D 6 9.846 -3.275 -7.970 1.00 0.00 H new ATOM 0 H3' DC D 6 12.725 -3.867 -6.997 1.00 0.00 H new ATOM 0 H2' DC D 6 12.777 -1.393 -6.747 1.00 0.00 H new ATOM 0 H2'' DC D 6 11.398 -1.192 -7.810 1.00 0.00 H new ATOM 0 HO3' DC D 6 13.269 -3.076 -8.956 1.00 0.00 H new ATOM 0 H1' DC D 6 10.101 -1.113 -5.847 1.00 0.00 H new ATOM 0 H41 DC D 6 13.435 -0.780 -0.331 1.00 0.00 H new ATOM 0 H42 DC D 6 12.800 0.826 -0.703 1.00 0.00 H new ATOM 0 H5 DC D 6 13.160 -2.671 -1.836 1.00 0.00 H new ATOM 0 H6 DC D 6 12.224 -3.408 -3.986 1.00 0.00 H new TER 481 DC D 6 HETATM 482 N1 QUI A 0 -4.770 -0.209 2.286 1.00 0.00 N HETATM 483 C2 QUI A 0 -5.183 1.013 1.900 1.00 0.00 C HETATM 484 C3 QUI A 0 -4.968 2.128 2.723 1.00 0.00 C HETATM 485 N4 QUI A 0 -4.347 2.006 3.909 1.00 0.00 N HETATM 486 C5 QUI A 0 -3.295 0.656 5.518 1.00 0.00 C HETATM 487 C6 QUI A 0 -2.859 -0.598 5.938 1.00 0.00 C HETATM 488 C7 QUI A 0 -3.063 -1.735 5.132 1.00 0.00 C HETATM 489 C8 QUI A 0 -3.714 -1.588 3.895 1.00 0.00 C HETATM 490 C9 QUI A 0 -4.150 -0.331 3.473 1.00 0.00 C HETATM 491 C10 QUI A 0 -3.938 0.780 4.287 1.00 0.00 C HETATM 492 C QUI A 0 -5.868 1.126 0.594 1.00 0.00 C HETATM 493 O1 QUI A 0 -6.708 2.022 0.409 1.00 0.00 O HETATM 0 H8 QUI A 0 -3.879 -2.460 3.262 1.00 0.00 H new HETATM 0 H7 QUI A 0 -2.721 -2.715 5.463 1.00 0.00 H new HETATM 0 H6 QUI A 0 -2.355 -0.701 6.899 1.00 0.00 H new HETATM 0 H5 QUI A 0 -3.135 1.533 6.146 1.00 0.00 H new HETATM 0 H3 QUI A 0 -5.310 3.110 2.396 1.00 0.00 H new HETATM 499 N1 QUI A 9 5.102 1.175 -0.836 1.00 0.00 N HETATM 500 C2 QUI A 9 5.603 0.165 -0.100 1.00 0.00 C HETATM 501 C3 QUI A 9 5.891 0.352 1.259 1.00 0.00 C HETATM 502 N4 QUI A 9 5.677 1.536 1.860 1.00 0.00 N HETATM 503 C5 QUI A 9 4.955 3.766 1.736 1.00 0.00 C HETATM 504 C6 QUI A 9 4.439 4.823 0.992 1.00 0.00 C HETATM 505 C7 QUI A 9 4.141 4.665 -0.373 1.00 0.00 C HETATM 506 C8 QUI A 9 4.371 3.419 -0.980 1.00 0.00 C HETATM 507 C9 QUI A 9 4.888 2.358 -0.236 1.00 0.00 C HETATM 508 C10 QUI A 9 5.175 2.539 1.115 1.00 0.00 C HETATM 509 C QUI A 9 5.835 -1.127 -0.779 1.00 0.00 C HETATM 510 O1 QUI A 9 6.780 -1.849 -0.428 1.00 0.00 O HETATM 0 H8 QUI A 9 4.144 3.281 -2.037 1.00 0.00 H new HETATM 0 H7 QUI A 9 3.738 5.496 -0.951 1.00 0.00 H new HETATM 0 H6 QUI A 9 4.264 5.785 1.473 1.00 0.00 H new HETATM 0 H5 QUI A 9 5.184 3.897 2.793 1.00 0.00 H new HETATM 0 H3 QUI A 9 6.296 -0.477 1.839 1.00 0.00 H new