USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 200 hydrogens (52 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 4 MVA H : A 4 MVA N : A 3 NCY 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 NoAdj-H: A 8 MVA H : A 8 MVA N : A 7 NCY C :(H bumps) USER MOD Single : C 11 DG O5' : rot 180:sc= 0 USER MOD Single : C 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 16 DC O3' : rot 180:sc= 0 USER MOD Single : D 17 DG O5' : rot 37:sc= 0.00751 USER MOD Single : D 21 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : D 22 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N DSN A 1 4.159 2.577 1.384 1.00 0.00 N HETATM 2 CA DSN A 1 3.873 3.585 2.476 1.00 0.00 C HETATM 3 C DSN A 1 2.418 3.860 2.904 1.00 0.00 C HETATM 4 O DSN A 1 2.198 4.378 3.979 1.00 0.00 O HETATM 5 CB DSN A 1 4.683 3.168 3.744 1.00 0.00 C HETATM 6 OG DSN A 1 4.346 1.817 3.987 1.00 0.00 O HETATM 0 HB3 DSN A 1 5.754 3.280 3.578 1.00 0.00 H new HETATM 0 HB2 DSN A 1 4.425 3.795 4.597 1.00 0.00 H new HETATM 0 HA DSN A 1 4.168 4.528 2.016 1.00 0.00 H new ATOM 11 N ALA A 2 1.462 3.533 2.083 1.00 0.00 N ATOM 12 CA ALA A 2 0.029 3.785 2.470 1.00 0.00 C ATOM 13 C ALA A 2 -0.642 2.524 3.061 1.00 0.00 C ATOM 14 O ALA A 2 -0.173 1.439 2.775 1.00 0.00 O ATOM 15 CB ALA A 2 -0.675 4.266 1.212 1.00 0.00 C ATOM 0 H ALA A 2 1.599 3.106 1.167 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.032 4.534 3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.723 4.465 1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.200 5.180 0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.608 3.498 0.441 1.00 0.00 H new HETATM 21 N NCY A 3 -1.711 2.735 3.817 1.00 0.00 N HETATM 22 CA NCY A 3 -2.422 1.552 4.454 1.00 0.00 C HETATM 23 CB NCY A 3 -2.174 1.753 5.985 1.00 0.00 C HETATM 24 SG NCY A 3 -0.445 1.957 6.481 1.00 0.00 S HETATM 25 CN NCY A 3 -2.720 3.861 3.762 1.00 0.00 C HETATM 26 C NCY A 3 -3.940 1.294 4.123 1.00 0.00 C HETATM 27 O NCY A 3 -4.794 1.361 4.997 1.00 0.00 O HETATM 0 HCN3 NCY A 3 -3.577 3.553 3.163 1.00 0.00 H new HETATM 0 HCN2 NCY A 3 -3.051 4.103 4.772 1.00 0.00 H new HETATM 0 HCN1 NCY A 3 -2.260 4.740 3.311 1.00 0.00 H new HETATM 0 HB3 NCY A 3 -2.732 2.630 6.313 1.00 0.00 H new HETATM 0 HB2 NCY A 3 -2.586 0.895 6.517 1.00 0.00 H new HETATM 0 HA NCY A 3 -2.008 0.640 4.025 1.00 0.00 H new HETATM 34 N MVA A 4 -4.257 1.006 2.869 1.00 0.00 N HETATM 35 CN MVA A 4 -3.321 0.443 1.821 1.00 0.00 C HETATM 36 CA MVA A 4 -5.710 0.741 2.503 1.00 0.00 C HETATM 37 CB MVA A 4 -6.286 1.970 1.671 1.00 0.00 C HETATM 38 CG1 MVA A 4 -6.579 3.135 2.615 1.00 0.00 C HETATM 39 CG2 MVA A 4 -5.297 2.503 0.643 1.00 0.00 C HETATM 40 C MVA A 4 -5.926 -0.582 1.714 1.00 0.00 C HETATM 41 O MVA A 4 -6.295 -0.644 0.555 1.00 0.00 O HETATM 0 HG23 MVA A 4 -4.392 2.839 1.149 1.00 0.00 H new HETATM 0 HG22 MVA A 4 -5.045 1.712 -0.064 1.00 0.00 H new HETATM 0 HG21 MVA A 4 -5.745 3.340 0.107 1.00 0.00 H new HETATM 0 HG13 MVA A 4 -7.313 2.825 3.358 1.00 0.00 H new HETATM 0 HG12 MVA A 4 -5.660 3.437 3.117 1.00 0.00 H new HETATM 0 HG11 MVA A 4 -6.973 3.976 2.044 1.00 0.00 H new HETATM 0 HN3 MVA A 4 -3.470 -0.634 1.741 1.00 0.00 H new HETATM 0 HN2 MVA A 4 -3.529 0.910 0.859 1.00 0.00 H new HETATM 0 HN1 MVA A 4 -2.289 0.646 2.108 1.00 0.00 H new HETATM 0 HB MVA A 4 -7.177 1.600 1.165 1.00 0.00 H new HETATM 0 HA MVA A 4 -6.251 0.627 3.443 1.00 0.00 H new HETATM 53 N DSN A 5 -4.437 -2.711 0.175 1.00 0.00 N HETATM 54 CA DSN A 5 -4.645 -3.578 1.404 1.00 0.00 C HETATM 55 C DSN A 5 -3.464 -3.687 2.394 1.00 0.00 C HETATM 56 O DSN A 5 -3.662 -3.835 3.583 1.00 0.00 O HETATM 57 CB DSN A 5 -5.906 -3.041 2.148 1.00 0.00 C HETATM 58 OG DSN A 5 -5.653 -1.676 2.419 1.00 0.00 O HETATM 0 HB3 DSN A 5 -6.799 -3.157 1.534 1.00 0.00 H new HETATM 0 HB2 DSN A 5 -6.079 -3.595 3.070 1.00 0.00 H new HETATM 0 HA DSN A 5 -4.757 -4.596 1.032 1.00 0.00 H new ATOM 63 N ALA A 6 -2.260 -3.614 1.895 1.00 0.00 N ATOM 64 CA ALA A 6 -1.071 -3.720 2.807 1.00 0.00 C ATOM 65 C ALA A 6 -0.624 -2.334 3.357 1.00 0.00 C ATOM 66 O ALA A 6 -0.922 -1.333 2.730 1.00 0.00 O ATOM 67 CB ALA A 6 0.019 -4.413 1.975 1.00 0.00 C ATOM 0 H ALA A 6 -2.043 -3.487 0.906 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.302 -4.295 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.920 -4.525 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.332 -5.396 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.243 -3.810 1.095 1.00 0.00 H new HETATM 73 N NCY A 7 0.072 -2.366 4.485 1.00 0.00 N HETATM 74 CA NCY A 7 0.565 -1.083 5.151 1.00 0.00 C HETATM 75 CB NCY A 7 -0.241 -1.036 6.486 1.00 0.00 C HETATM 76 SG NCY A 7 -0.080 0.348 7.639 1.00 0.00 S HETATM 77 CN NCY A 7 0.939 -3.494 5.013 1.00 0.00 C HETATM 78 C NCY A 7 2.116 -0.910 5.360 1.00 0.00 C HETATM 79 O NCY A 7 2.621 -0.938 6.472 1.00 0.00 O HETATM 0 HCN3 NCY A 7 1.981 -3.302 4.758 1.00 0.00 H new HETATM 0 HCN2 NCY A 7 0.836 -3.556 6.096 1.00 0.00 H new HETATM 0 HCN1 NCY A 7 0.624 -4.436 4.564 1.00 0.00 H new HETATM 0 HB3 NCY A 7 -1.296 -1.107 6.222 1.00 0.00 H new HETATM 0 HB2 NCY A 7 0.010 -1.941 7.040 1.00 0.00 H new HETATM 0 HA NCY A 7 0.389 -0.238 4.485 1.00 0.00 H new HETATM 86 N MVA A 8 2.854 -0.750 4.272 1.00 0.00 N HETATM 87 CN MVA A 8 2.364 -0.305 2.913 1.00 0.00 C HETATM 88 CA MVA A 8 4.354 -0.575 4.415 1.00 0.00 C HETATM 89 CB MVA A 8 5.075 -1.913 3.924 1.00 0.00 C HETATM 90 CG1 MVA A 8 5.017 -2.961 5.040 1.00 0.00 C HETATM 91 CG2 MVA A 8 4.370 -2.580 2.742 1.00 0.00 C HETATM 92 C MVA A 8 4.939 0.667 3.678 1.00 0.00 C HETATM 93 O MVA A 8 5.857 0.622 2.877 1.00 0.00 O HETATM 0 HG23 MVA A 8 3.351 -2.842 3.027 1.00 0.00 H new HETATM 0 HG22 MVA A 8 4.345 -1.891 1.897 1.00 0.00 H new HETATM 0 HG21 MVA A 8 4.911 -3.483 2.458 1.00 0.00 H new HETATM 0 HG13 MVA A 8 5.524 -2.578 5.925 1.00 0.00 H new HETATM 0 HG12 MVA A 8 3.977 -3.177 5.283 1.00 0.00 H new HETATM 0 HG11 MVA A 8 5.509 -3.875 4.707 1.00 0.00 H new HETATM 0 HN3 MVA A 8 2.601 0.749 2.768 1.00 0.00 H new HETATM 0 HN2 MVA A 8 2.853 -0.896 2.139 1.00 0.00 H new HETATM 0 HN1 MVA A 8 1.285 -0.447 2.851 1.00 0.00 H new HETATM 0 HB MVA A 8 6.085 -1.613 3.644 1.00 0.00 H new HETATM 0 HA MVA A 8 4.550 -0.387 5.471 1.00 0.00 H new TER 105 MVA A 8 ATOM 106 O5' DG C 11 -14.630 2.305 -10.552 1.00 0.00 O ATOM 107 C5' DG C 11 -13.263 2.717 -10.462 1.00 0.00 C ATOM 108 C4' DG C 11 -12.798 2.746 -9.005 1.00 0.00 C ATOM 109 O4' DG C 11 -12.909 1.443 -8.394 1.00 0.00 O ATOM 110 C3' DG C 11 -11.334 3.176 -8.841 1.00 0.00 C ATOM 111 O3' DG C 11 -11.251 4.529 -8.367 1.00 0.00 O ATOM 112 C2' DG C 11 -10.813 2.146 -7.847 1.00 0.00 C ATOM 113 C1' DG C 11 -12.037 1.476 -7.257 1.00 0.00 C ATOM 114 N9 DG C 11 -11.720 0.105 -6.815 1.00 0.00 N ATOM 115 C8 DG C 11 -11.601 -1.026 -7.560 1.00 0.00 C ATOM 116 N7 DG C 11 -11.307 -2.116 -6.915 1.00 0.00 N ATOM 117 C5 DG C 11 -11.222 -1.657 -5.596 1.00 0.00 C ATOM 118 C6 DG C 11 -10.938 -2.368 -4.395 1.00 0.00 C ATOM 119 O6 DG C 11 -10.690 -3.557 -4.231 1.00 0.00 O ATOM 120 N1 DG C 11 -10.964 -1.539 -3.300 1.00 0.00 N ATOM 121 C2 DG C 11 -11.226 -0.201 -3.336 1.00 0.00 C ATOM 122 N2 DG C 11 -11.201 0.433 -2.187 1.00 0.00 N ATOM 123 N3 DG C 11 -11.492 0.483 -4.438 1.00 0.00 N ATOM 124 C4 DG C 11 -11.473 -0.308 -5.531 1.00 0.00 C ATOM 0 H5' DG C 11 -13.147 3.706 -10.905 1.00 0.00 H new ATOM 0 H5'' DG C 11 -12.635 2.035 -11.035 1.00 0.00 H new ATOM 0 H4' DG C 11 -13.450 3.476 -8.525 1.00 0.00 H new ATOM 0 H3' DG C 11 -10.751 3.191 -9.762 1.00 0.00 H new ATOM 0 H2' DG C 11 -10.170 1.418 -8.341 1.00 0.00 H new ATOM 0 H2'' DG C 11 -10.216 2.622 -7.069 1.00 0.00 H new ATOM 0 HO5' DG C 11 -14.907 2.295 -11.492 1.00 0.00 H new ATOM 0 H1' DG C 11 -12.447 1.981 -6.383 1.00 0.00 H new ATOM 0 H8 DG C 11 -11.743 -1.019 -8.631 1.00 0.00 H new ATOM 0 H1 DG C 11 -10.772 -1.956 -2.389 1.00 0.00 H new ATOM 0 H21 DG C 11 -11.389 1.435 -2.153 1.00 0.00 H new ATOM 0 H22 DG C 11 -10.993 -0.076 -1.328 1.00 0.00 H new ATOM 137 P DA C 12 -9.865 5.248 -7.941 1.00 0.00 P ATOM 138 OP1 DA C 12 -10.084 6.714 -7.936 1.00 0.00 O ATOM 139 OP2 DA C 12 -8.773 4.672 -8.759 1.00 0.00 O ATOM 140 O5' DA C 12 -9.683 4.746 -6.412 1.00 0.00 O ATOM 141 C5' DA C 12 -10.650 5.046 -5.382 1.00 0.00 C ATOM 142 C4' DA C 12 -10.274 4.502 -3.993 1.00 0.00 C ATOM 143 O4' DA C 12 -10.162 3.059 -3.968 1.00 0.00 O ATOM 144 C3' DA C 12 -8.943 5.058 -3.469 1.00 0.00 C ATOM 145 O3' DA C 12 -8.981 5.335 -2.055 1.00 0.00 O ATOM 146 C2' DA C 12 -8.029 3.898 -3.773 1.00 0.00 C ATOM 147 C1' DA C 12 -8.881 2.694 -3.432 1.00 0.00 C ATOM 148 N9 DA C 12 -8.375 1.467 -4.072 1.00 0.00 N ATOM 149 C8 DA C 12 -8.105 1.242 -5.386 1.00 0.00 C ATOM 150 N7 DA C 12 -7.663 0.059 -5.695 1.00 0.00 N ATOM 151 C5 DA C 12 -7.638 -0.571 -4.449 1.00 0.00 C ATOM 152 C6 DA C 12 -7.312 -1.879 -4.054 1.00 0.00 C ATOM 153 N6 DA C 12 -6.878 -2.821 -4.884 1.00 0.00 N ATOM 154 N1 DA C 12 -7.443 -2.193 -2.762 1.00 0.00 N ATOM 155 C2 DA C 12 -7.872 -1.274 -1.903 1.00 0.00 C ATOM 156 N3 DA C 12 -8.210 -0.014 -2.145 1.00 0.00 N ATOM 157 C4 DA C 12 -8.067 0.277 -3.459 1.00 0.00 C ATOM 0 H5' DA C 12 -11.616 4.633 -5.673 1.00 0.00 H new ATOM 0 H5'' DA C 12 -10.772 6.127 -5.317 1.00 0.00 H new ATOM 0 H4' DA C 12 -11.094 4.831 -3.355 1.00 0.00 H new ATOM 0 H3' DA C 12 -8.652 6.010 -3.913 1.00 0.00 H new ATOM 0 H2' DA C 12 -7.720 3.891 -4.818 1.00 0.00 H new ATOM 0 H2'' DA C 12 -7.120 3.932 -3.172 1.00 0.00 H new ATOM 0 H1' DA C 12 -8.895 2.470 -2.365 1.00 0.00 H new ATOM 0 H8 DA C 12 -8.250 2.007 -6.134 1.00 0.00 H new ATOM 0 H61 DA C 12 -6.659 -3.752 -4.529 1.00 0.00 H new ATOM 0 H62 DA C 12 -6.764 -2.613 -5.876 1.00 0.00 H new ATOM 0 H2 DA C 12 -7.956 -1.594 -0.875 1.00 0.00 H new ATOM 169 P DC C 13 -7.843 6.209 -1.303 1.00 0.00 P ATOM 170 OP1 DC C 13 -7.193 5.343 -0.295 1.00 0.00 O ATOM 171 OP2 DC C 13 -8.455 7.488 -0.878 1.00 0.00 O ATOM 172 O5' DC C 13 -6.782 6.515 -2.497 1.00 0.00 O ATOM 173 C5' DC C 13 -5.475 7.112 -2.382 1.00 0.00 C ATOM 174 C4' DC C 13 -4.544 6.380 -1.410 1.00 0.00 C ATOM 175 O4' DC C 13 -4.397 4.980 -1.707 1.00 0.00 O ATOM 176 C3' DC C 13 -3.122 6.922 -1.481 1.00 0.00 C ATOM 177 O3' DC C 13 -2.904 8.156 -0.789 1.00 0.00 O ATOM 178 C2' DC C 13 -2.422 5.816 -0.756 1.00 0.00 C ATOM 179 C1' DC C 13 -3.129 4.537 -1.185 1.00 0.00 C ATOM 180 N1 DC C 13 -2.361 3.764 -2.188 1.00 0.00 N ATOM 181 C2 DC C 13 -1.897 2.498 -1.848 1.00 0.00 C ATOM 182 O2 DC C 13 -2.095 1.998 -0.745 1.00 0.00 O ATOM 183 N3 DC C 13 -1.202 1.791 -2.768 1.00 0.00 N ATOM 184 C4 DC C 13 -0.972 2.300 -3.973 1.00 0.00 C ATOM 185 N4 DC C 13 -0.300 1.555 -4.826 1.00 0.00 N ATOM 186 C5 DC C 13 -1.434 3.595 -4.350 1.00 0.00 C ATOM 187 C6 DC C 13 -2.123 4.289 -3.425 1.00 0.00 C ATOM 0 H5' DC C 13 -5.586 8.146 -2.055 1.00 0.00 H new ATOM 0 H5'' DC C 13 -5.009 7.137 -3.367 1.00 0.00 H new ATOM 0 H4' DC C 13 -5.013 6.533 -0.438 1.00 0.00 H new ATOM 0 H3' DC C 13 -2.808 7.156 -2.498 1.00 0.00 H new ATOM 0 H2' DC C 13 -1.364 5.785 -1.015 1.00 0.00 H new ATOM 0 H2'' DC C 13 -2.482 5.955 0.323 1.00 0.00 H new ATOM 0 H1' DC C 13 -3.242 3.847 -0.349 1.00 0.00 H new ATOM 0 H41 DC C 13 -0.101 1.906 -5.763 1.00 0.00 H new ATOM 0 H42 DC C 13 0.021 0.627 -4.550 1.00 0.00 H new ATOM 0 H5 DC C 13 -1.240 4.000 -5.332 1.00 0.00 H new ATOM 0 H6 DC C 13 -2.493 5.275 -3.665 1.00 0.00 H new ATOM 199 P DG C 14 -2.259 9.420 -1.558 1.00 0.00 P ATOM 200 OP1 DG C 14 -1.767 10.376 -0.540 1.00 0.00 O ATOM 201 OP2 DG C 14 -3.225 9.877 -2.584 1.00 0.00 O ATOM 202 O5' DG C 14 -0.978 8.766 -2.320 1.00 0.00 O ATOM 203 C5' DG C 14 0.373 8.710 -1.814 1.00 0.00 C ATOM 204 C4' DG C 14 0.657 7.602 -0.780 1.00 0.00 C ATOM 205 O4' DG C 14 0.496 6.264 -1.328 1.00 0.00 O ATOM 206 C3' DG C 14 2.111 7.698 -0.279 1.00 0.00 C ATOM 207 O3' DG C 14 2.219 7.678 1.162 1.00 0.00 O ATOM 208 C2' DG C 14 2.746 6.501 -0.947 1.00 0.00 C ATOM 209 C1' DG C 14 1.643 5.462 -0.983 1.00 0.00 C ATOM 210 N9 DG C 14 1.858 4.402 -1.997 1.00 0.00 N ATOM 211 C8 DG C 14 2.136 4.551 -3.324 1.00 0.00 C ATOM 212 N7 DG C 14 2.286 3.456 -4.007 1.00 0.00 N ATOM 213 C5 DG C 14 2.088 2.468 -3.039 1.00 0.00 C ATOM 214 C6 DG C 14 2.158 1.048 -3.155 1.00 0.00 C ATOM 215 O6 DG C 14 2.367 0.358 -4.143 1.00 0.00 O ATOM 216 N1 DG C 14 1.941 0.422 -1.958 1.00 0.00 N ATOM 217 C2 DG C 14 1.682 1.065 -0.780 1.00 0.00 C ATOM 218 N2 DG C 14 1.474 0.313 0.274 1.00 0.00 N ATOM 219 N3 DG C 14 1.611 2.389 -0.640 1.00 0.00 N ATOM 220 C4 DG C 14 1.825 3.034 -1.811 1.00 0.00 C ATOM 0 H5' DG C 14 0.612 9.673 -1.362 1.00 0.00 H new ATOM 0 H5'' DG C 14 1.051 8.577 -2.657 1.00 0.00 H new ATOM 0 H4' DG C 14 -0.064 7.756 0.023 1.00 0.00 H new ATOM 0 H3' DG C 14 2.598 8.641 -0.528 1.00 0.00 H new ATOM 0 H2' DG C 14 3.096 6.745 -1.950 1.00 0.00 H new ATOM 0 H2'' DG C 14 3.610 6.144 -0.386 1.00 0.00 H new ATOM 0 H1' DG C 14 1.563 4.913 -0.045 1.00 0.00 H new ATOM 0 H8 DG C 14 2.226 5.525 -3.782 1.00 0.00 H new ATOM 0 H1 DG C 14 1.975 -0.597 -1.944 1.00 0.00 H new ATOM 0 H21 DG C 14 1.277 0.744 1.177 1.00 0.00 H new ATOM 0 H22 DG C 14 1.510 -0.703 0.191 1.00 0.00 H new ATOM 232 P DT C 15 2.855 8.944 1.971 1.00 0.00 P ATOM 233 OP1 DT C 15 2.108 10.149 1.541 1.00 0.00 O ATOM 234 OP2 DT C 15 4.325 8.930 1.790 1.00 0.00 O ATOM 235 O5' DT C 15 2.528 8.746 3.553 1.00 0.00 O ATOM 236 C5' DT C 15 2.644 7.550 4.354 1.00 0.00 C ATOM 237 C4' DT C 15 4.041 6.917 4.432 1.00 0.00 C ATOM 238 O4' DT C 15 4.481 6.441 3.157 1.00 0.00 O ATOM 239 C3' DT C 15 5.172 7.799 4.991 1.00 0.00 C ATOM 240 O3' DT C 15 5.688 7.289 6.237 1.00 0.00 O ATOM 241 C2' DT C 15 6.207 7.674 3.886 1.00 0.00 C ATOM 242 C1' DT C 15 5.902 6.339 3.229 1.00 0.00 C ATOM 243 N1 DT C 15 6.405 6.152 1.850 1.00 0.00 N ATOM 244 C2 DT C 15 7.172 5.043 1.559 1.00 0.00 C ATOM 245 O2 DT C 15 7.468 4.187 2.384 1.00 0.00 O ATOM 246 N3 DT C 15 7.599 4.921 0.267 1.00 0.00 N ATOM 247 C4 DT C 15 7.339 5.790 -0.759 1.00 0.00 C ATOM 248 O4 DT C 15 7.783 5.558 -1.876 1.00 0.00 O ATOM 249 C5 DT C 15 6.529 6.927 -0.382 1.00 0.00 C ATOM 250 C7 DT C 15 6.159 7.988 -1.427 1.00 0.00 C ATOM 251 C6 DT C 15 6.101 7.062 0.887 1.00 0.00 C ATOM 0 H5' DT C 15 1.952 6.806 3.960 1.00 0.00 H new ATOM 0 H5'' DT C 15 2.317 7.784 5.367 1.00 0.00 H new ATOM 0 H4' DT C 15 3.877 6.111 5.147 1.00 0.00 H new ATOM 0 H3' DT C 15 4.864 8.819 5.220 1.00 0.00 H new ATOM 0 H2' DT C 15 6.128 8.495 3.173 1.00 0.00 H new ATOM 0 H2'' DT C 15 7.220 7.697 4.287 1.00 0.00 H new ATOM 0 H1' DT C 15 6.357 5.515 3.779 1.00 0.00 H new ATOM 0 H3 DT C 15 8.167 4.103 0.045 1.00 0.00 H new ATOM 0 H71 DT C 15 5.195 8.428 -1.173 1.00 0.00 H new ATOM 0 H72 DT C 15 6.921 8.767 -1.440 1.00 0.00 H new ATOM 0 H73 DT C 15 6.098 7.524 -2.411 1.00 0.00 H new ATOM 0 H6 DT C 15 5.498 7.919 1.148 1.00 0.00 H new ATOM 264 P DC C 16 6.596 8.188 7.229 1.00 0.00 P ATOM 265 OP1 DC C 16 5.863 9.441 7.515 1.00 0.00 O ATOM 266 OP2 DC C 16 7.955 8.258 6.639 1.00 0.00 O ATOM 267 O5' DC C 16 6.701 7.345 8.614 1.00 0.00 O ATOM 268 C5' DC C 16 7.760 6.419 8.939 1.00 0.00 C ATOM 269 C4' DC C 16 7.459 4.973 8.523 1.00 0.00 C ATOM 270 O4' DC C 16 7.362 4.848 7.084 1.00 0.00 O ATOM 271 C3' DC C 16 8.582 4.014 8.948 1.00 0.00 C ATOM 272 O3' DC C 16 8.088 2.676 9.088 1.00 0.00 O ATOM 273 C2' DC C 16 9.462 4.103 7.737 1.00 0.00 C ATOM 274 C1' DC C 16 8.456 4.034 6.611 1.00 0.00 C ATOM 275 N1 DC C 16 9.036 4.580 5.371 1.00 0.00 N ATOM 276 C2 DC C 16 9.547 3.694 4.439 1.00 0.00 C ATOM 277 O2 DC C 16 9.530 2.478 4.621 1.00 0.00 O ATOM 278 N3 DC C 16 10.075 4.192 3.299 1.00 0.00 N ATOM 279 C4 DC C 16 10.102 5.503 3.075 1.00 0.00 C ATOM 280 N4 DC C 16 10.626 5.920 1.933 1.00 0.00 N ATOM 281 C5 DC C 16 9.579 6.437 4.026 1.00 0.00 C ATOM 282 C6 DC C 16 9.058 5.925 5.157 1.00 0.00 C ATOM 0 H5' DC C 16 7.941 6.449 10.013 1.00 0.00 H new ATOM 0 H5'' DC C 16 8.679 6.745 8.452 1.00 0.00 H new ATOM 0 H4' DC C 16 6.518 4.719 9.011 1.00 0.00 H new ATOM 0 H3' DC C 16 9.054 4.256 9.900 1.00 0.00 H new ATOM 0 H2' DC C 16 10.035 5.030 7.716 1.00 0.00 H new ATOM 0 H2'' DC C 16 10.180 3.284 7.693 1.00 0.00 H new ATOM 0 HO3' DC C 16 8.821 2.083 9.357 1.00 0.00 H new ATOM 0 H1' DC C 16 8.144 3.018 6.371 1.00 0.00 H new ATOM 0 H41 DC C 16 10.665 6.918 1.724 1.00 0.00 H new ATOM 0 H42 DC C 16 10.991 5.244 1.262 1.00 0.00 H new ATOM 0 H5 DC C 16 9.601 7.501 3.845 1.00 0.00 H new ATOM 0 H6 DC C 16 8.652 6.590 5.905 1.00 0.00 H new TER 295 DC C 16 ATOM 296 O5' DG D 17 15.520 -0.707 -4.017 1.00 0.00 O ATOM 297 C5' DG D 17 16.341 -1.434 -3.095 1.00 0.00 C ATOM 298 C4' DG D 17 15.535 -1.895 -1.882 1.00 0.00 C ATOM 299 O4' DG D 17 14.956 -0.744 -1.237 1.00 0.00 O ATOM 300 C3' DG D 17 14.384 -2.845 -2.246 1.00 0.00 C ATOM 301 O3' DG D 17 14.487 -4.158 -1.656 1.00 0.00 O ATOM 302 C2' DG D 17 13.165 -2.046 -1.838 1.00 0.00 C ATOM 303 C1' DG D 17 13.643 -1.078 -0.778 1.00 0.00 C ATOM 304 N9 DG D 17 12.871 0.177 -0.793 1.00 0.00 N ATOM 305 C8 DG D 17 12.823 1.131 -1.765 1.00 0.00 C ATOM 306 N7 DG D 17 12.070 2.162 -1.527 1.00 0.00 N ATOM 307 C5 DG D 17 11.564 1.863 -0.262 1.00 0.00 C ATOM 308 C6 DG D 17 10.686 2.611 0.568 1.00 0.00 C ATOM 309 O6 DG D 17 10.152 3.698 0.358 1.00 0.00 O ATOM 310 N1 DG D 17 10.447 1.969 1.753 1.00 0.00 N ATOM 311 C2 DG D 17 10.976 0.764 2.113 1.00 0.00 C ATOM 312 N2 DG D 17 10.634 0.306 3.293 1.00 0.00 N ATOM 313 N3 DG D 17 11.798 0.043 1.367 1.00 0.00 N ATOM 314 C4 DG D 17 12.049 0.655 0.190 1.00 0.00 C ATOM 0 H5' DG D 17 17.169 -0.805 -2.767 1.00 0.00 H new ATOM 0 H5'' DG D 17 16.776 -2.299 -3.596 1.00 0.00 H new ATOM 0 H4' DG D 17 16.228 -2.431 -1.234 1.00 0.00 H new ATOM 0 H3' DG D 17 14.366 -3.118 -3.301 1.00 0.00 H new ATOM 0 H2' DG D 17 12.742 -1.515 -2.691 1.00 0.00 H new ATOM 0 H2'' DG D 17 12.383 -2.697 -1.449 1.00 0.00 H new ATOM 0 HO5' DG D 17 14.870 -0.167 -3.521 1.00 0.00 H new ATOM 0 H1' DG D 17 13.567 -1.509 0.220 1.00 0.00 H new ATOM 0 H8 DG D 17 13.381 1.035 -2.684 1.00 0.00 H new ATOM 0 H1 DG D 17 9.825 2.427 2.419 1.00 0.00 H new ATOM 0 H21 DG D 17 10.998 -0.590 3.617 1.00 0.00 H new ATOM 0 H22 DG D 17 10.004 0.846 3.887 1.00 0.00 H new ATOM 327 P DA D 18 14.654 -4.564 -0.091 1.00 0.00 P ATOM 328 OP1 DA D 18 15.548 -3.577 0.557 1.00 0.00 O ATOM 329 OP2 DA D 18 15.008 -6.001 -0.044 1.00 0.00 O ATOM 330 O5' DA D 18 13.169 -4.380 0.508 1.00 0.00 O ATOM 331 C5' DA D 18 12.013 -5.019 -0.066 1.00 0.00 C ATOM 332 C4' DA D 18 10.722 -4.278 0.282 1.00 0.00 C ATOM 333 O4' DA D 18 10.767 -2.918 -0.182 1.00 0.00 O ATOM 334 C3' DA D 18 9.490 -4.903 -0.403 1.00 0.00 C ATOM 335 O3' DA D 18 8.661 -5.702 0.457 1.00 0.00 O ATOM 336 C2' DA D 18 8.766 -3.682 -0.939 1.00 0.00 C ATOM 337 C1' DA D 18 9.408 -2.489 -0.258 1.00 0.00 C ATOM 338 N9 DA D 18 9.307 -1.281 -1.098 1.00 0.00 N ATOM 339 C8 DA D 18 9.741 -1.085 -2.373 1.00 0.00 C ATOM 340 N7 DA D 18 9.519 0.089 -2.885 1.00 0.00 N ATOM 341 C5 DA D 18 8.868 0.740 -1.836 1.00 0.00 C ATOM 342 C6 DA D 18 8.367 2.042 -1.693 1.00 0.00 C ATOM 343 N6 DA D 18 8.422 2.956 -2.650 1.00 0.00 N ATOM 344 N1 DA D 18 7.807 2.374 -0.523 1.00 0.00 N ATOM 345 C2 DA D 18 7.747 1.470 0.451 1.00 0.00 C ATOM 346 N3 DA D 18 8.179 0.217 0.444 1.00 0.00 N ATOM 347 C4 DA D 18 8.738 -0.087 -0.748 1.00 0.00 C ATOM 0 H5' DA D 18 11.950 -6.046 0.293 1.00 0.00 H new ATOM 0 H5'' DA D 18 12.124 -5.066 -1.149 1.00 0.00 H new ATOM 0 H4' DA D 18 10.638 -4.339 1.367 1.00 0.00 H new ATOM 0 H3' DA D 18 9.773 -5.628 -1.167 1.00 0.00 H new ATOM 0 H2' DA D 18 8.864 -3.613 -2.022 1.00 0.00 H new ATOM 0 H2'' DA D 18 7.700 -3.731 -0.718 1.00 0.00 H new ATOM 0 H1' DA D 18 8.953 -2.224 0.696 1.00 0.00 H new ATOM 0 H8 DA D 18 10.243 -1.863 -2.929 1.00 0.00 H new ATOM 0 H61 DA D 18 8.040 3.888 -2.488 1.00 0.00 H new ATOM 0 H62 DA D 18 8.846 2.728 -3.549 1.00 0.00 H new ATOM 0 H2 DA D 18 7.285 1.801 1.369 1.00 0.00 H new ATOM 359 P DC D 19 7.849 -5.151 1.746 1.00 0.00 P ATOM 360 OP1 DC D 19 6.931 -4.081 1.302 1.00 0.00 O ATOM 361 OP2 DC D 19 8.826 -4.876 2.823 1.00 0.00 O ATOM 362 O5' DC D 19 7.004 -6.469 2.159 1.00 0.00 O ATOM 363 C5' DC D 19 6.065 -7.157 1.307 1.00 0.00 C ATOM 364 C4' DC D 19 4.648 -6.583 1.423 1.00 0.00 C ATOM 365 O4' DC D 19 4.529 -5.257 0.879 1.00 0.00 O ATOM 366 C3' DC D 19 3.576 -7.358 0.665 1.00 0.00 C ATOM 367 O3' DC D 19 3.316 -8.630 1.292 1.00 0.00 O ATOM 368 C2' DC D 19 2.459 -6.330 0.787 1.00 0.00 C ATOM 369 C1' DC D 19 3.137 -4.974 0.648 1.00 0.00 C ATOM 370 N1 DC D 19 2.906 -4.309 -0.658 1.00 0.00 N ATOM 371 C2 DC D 19 2.382 -3.019 -0.664 1.00 0.00 C ATOM 372 O2 DC D 19 2.094 -2.429 0.371 1.00 0.00 O ATOM 373 N3 DC D 19 2.182 -2.398 -1.848 1.00 0.00 N ATOM 374 C4 DC D 19 2.485 -3.013 -2.985 1.00 0.00 C ATOM 375 N4 DC D 19 2.278 -2.340 -4.101 1.00 0.00 N ATOM 376 C5 DC D 19 3.022 -4.337 -3.016 1.00 0.00 C ATOM 377 C6 DC D 19 3.216 -4.944 -1.827 1.00 0.00 C ATOM 0 H5' DC D 19 6.049 -8.215 1.568 1.00 0.00 H new ATOM 0 H5'' DC D 19 6.399 -7.089 0.272 1.00 0.00 H new ATOM 0 H4' DC D 19 4.491 -6.628 2.501 1.00 0.00 H new ATOM 0 H3' DC D 19 3.789 -7.663 -0.360 1.00 0.00 H new ATOM 0 H2' DC D 19 1.707 -6.474 0.011 1.00 0.00 H new ATOM 0 H2'' DC D 19 1.949 -6.417 1.746 1.00 0.00 H new ATOM 0 H1' DC D 19 2.725 -4.255 1.355 1.00 0.00 H new ATOM 0 H41 DC D 19 2.494 -2.767 -5.002 1.00 0.00 H new ATOM 0 H42 DC D 19 1.902 -1.393 -4.063 1.00 0.00 H new ATOM 0 H5 DC D 19 3.261 -4.828 -3.947 1.00 0.00 H new ATOM 0 H6 DC D 19 3.622 -5.945 -1.799 1.00 0.00 H new ATOM 389 P DG D 20 1.854 -9.294 1.490 1.00 0.00 P ATOM 390 OP1 DG D 20 1.060 -8.409 2.372 1.00 0.00 O ATOM 391 OP2 DG D 20 2.043 -10.719 1.853 1.00 0.00 O ATOM 392 O5' DG D 20 1.254 -9.236 -0.016 1.00 0.00 O ATOM 393 C5' DG D 20 -0.152 -9.180 -0.324 1.00 0.00 C ATOM 394 C4' DG D 20 -0.803 -7.840 0.043 1.00 0.00 C ATOM 395 O4' DG D 20 -0.248 -6.716 -0.683 1.00 0.00 O ATOM 396 C3' DG D 20 -2.324 -7.842 -0.235 1.00 0.00 C ATOM 397 O3' DG D 20 -3.111 -7.497 0.919 1.00 0.00 O ATOM 398 C2' DG D 20 -2.427 -6.773 -1.283 1.00 0.00 C ATOM 399 C1' DG D 20 -1.327 -5.804 -0.920 1.00 0.00 C ATOM 400 N9 DG D 20 -1.028 -4.873 -2.019 1.00 0.00 N ATOM 401 C8 DG D 20 -0.705 -5.158 -3.309 1.00 0.00 C ATOM 402 N7 DG D 20 -0.498 -4.142 -4.088 1.00 0.00 N ATOM 403 C5 DG D 20 -0.706 -3.065 -3.223 1.00 0.00 C ATOM 404 C6 DG D 20 -0.677 -1.669 -3.482 1.00 0.00 C ATOM 405 O6 DG D 20 -0.410 -1.084 -4.521 1.00 0.00 O ATOM 406 N1 DG D 20 -0.992 -0.934 -2.370 1.00 0.00 N ATOM 407 C2 DG D 20 -1.299 -1.457 -1.144 1.00 0.00 C ATOM 408 N2 DG D 20 -1.557 -0.608 -0.176 1.00 0.00 N ATOM 409 N3 DG D 20 -1.336 -2.760 -0.872 1.00 0.00 N ATOM 410 C4 DG D 20 -1.028 -3.504 -1.961 1.00 0.00 C ATOM 0 H5' DG D 20 -0.665 -9.982 0.207 1.00 0.00 H new ATOM 0 H5'' DG D 20 -0.291 -9.363 -1.390 1.00 0.00 H new ATOM 0 H4' DG D 20 -0.599 -7.726 1.108 1.00 0.00 H new ATOM 0 H3' DG D 20 -2.702 -8.822 -0.526 1.00 0.00 H new ATOM 0 H2' DG D 20 -2.287 -7.180 -2.284 1.00 0.00 H new ATOM 0 H2'' DG D 20 -3.405 -6.292 -1.268 1.00 0.00 H new ATOM 0 H1' DG D 20 -1.559 -5.146 -0.082 1.00 0.00 H new ATOM 0 H8 DG D 20 -0.625 -6.174 -3.665 1.00 0.00 H new ATOM 0 H1 DG D 20 -0.998 0.082 -2.463 1.00 0.00 H new ATOM 0 H21 DG D 20 -1.791 -0.952 0.755 1.00 0.00 H new ATOM 0 H22 DG D 20 -1.524 0.396 -0.355 1.00 0.00 H new ATOM 422 P DT D 21 -3.142 -8.435 2.239 1.00 0.00 P ATOM 423 OP1 DT D 21 -1.840 -8.316 2.930 1.00 0.00 O ATOM 424 OP2 DT D 21 -3.629 -9.772 1.828 1.00 0.00 O ATOM 425 O5' DT D 21 -4.264 -7.758 3.182 1.00 0.00 O ATOM 426 C5' DT D 21 -5.658 -8.118 3.187 1.00 0.00 C ATOM 427 C4' DT D 21 -6.568 -6.896 3.350 1.00 0.00 C ATOM 428 O4' DT D 21 -6.408 -5.987 2.242 1.00 0.00 O ATOM 429 C3' DT D 21 -8.047 -7.283 3.415 1.00 0.00 C ATOM 430 O3' DT D 21 -8.822 -6.390 4.229 1.00 0.00 O ATOM 431 C2' DT D 21 -8.403 -7.129 1.968 1.00 0.00 C ATOM 432 C1' DT D 21 -7.658 -5.870 1.559 1.00 0.00 C ATOM 433 N1 DT D 21 -7.387 -5.815 0.109 1.00 0.00 N ATOM 434 C2 DT D 21 -7.845 -4.730 -0.602 1.00 0.00 C ATOM 435 O2 DT D 21 -8.461 -3.800 -0.099 1.00 0.00 O ATOM 436 N3 DT D 21 -7.574 -4.714 -1.937 1.00 0.00 N ATOM 437 C4 DT D 21 -6.892 -5.671 -2.640 1.00 0.00 C ATOM 438 O4 DT D 21 -6.720 -5.519 -3.845 1.00 0.00 O ATOM 439 C5 DT D 21 -6.437 -6.785 -1.832 1.00 0.00 C ATOM 440 C7 DT D 21 -5.654 -7.933 -2.473 1.00 0.00 C ATOM 441 C6 DT D 21 -6.697 -6.818 -0.508 1.00 0.00 C ATOM 0 H5' DT D 21 -5.847 -8.821 3.998 1.00 0.00 H new ATOM 0 H5'' DT D 21 -5.903 -8.630 2.257 1.00 0.00 H new ATOM 0 H4' DT D 21 -6.273 -6.423 4.287 1.00 0.00 H new ATOM 0 H3' DT D 21 -8.236 -8.261 3.857 1.00 0.00 H new ATOM 0 H2' DT D 21 -8.087 -7.992 1.382 1.00 0.00 H new ATOM 0 H2'' DT D 21 -9.479 -7.024 1.827 1.00 0.00 H new ATOM 0 H1' DT D 21 -8.237 -4.979 1.799 1.00 0.00 H new ATOM 0 H3 DT D 21 -7.913 -3.910 -2.465 1.00 0.00 H new ATOM 0 H71 DT D 21 -4.970 -8.361 -1.740 1.00 0.00 H new ATOM 0 H72 DT D 21 -6.348 -8.702 -2.813 1.00 0.00 H new ATOM 0 H73 DT D 21 -5.086 -7.556 -3.323 1.00 0.00 H new ATOM 0 H6 DT D 21 -6.351 -7.658 0.077 1.00 0.00 H new ATOM 454 P DC D 22 -10.266 -6.826 4.795 1.00 0.00 P ATOM 455 OP1 DC D 22 -10.074 -7.996 5.682 1.00 0.00 O ATOM 456 OP2 DC D 22 -11.190 -6.930 3.640 1.00 0.00 O ATOM 457 O5' DC D 22 -10.742 -5.582 5.714 1.00 0.00 O ATOM 458 C5' DC D 22 -11.557 -4.474 5.284 1.00 0.00 C ATOM 459 C4' DC D 22 -10.758 -3.331 4.632 1.00 0.00 C ATOM 460 O4' DC D 22 -10.227 -3.698 3.332 1.00 0.00 O ATOM 461 C3' DC D 22 -11.637 -2.103 4.366 1.00 0.00 C ATOM 462 O3' DC D 22 -10.842 -0.911 4.383 1.00 0.00 O ATOM 463 C2' DC D 22 -12.085 -2.382 2.964 1.00 0.00 C ATOM 464 C1' DC D 22 -10.800 -2.834 2.320 1.00 0.00 C ATOM 465 N1 DC D 22 -11.055 -3.545 1.052 1.00 0.00 N ATOM 466 C2 DC D 22 -11.097 -2.822 -0.136 1.00 0.00 C ATOM 467 O2 DC D 22 -10.947 -1.601 -0.170 1.00 0.00 O ATOM 468 N3 DC D 22 -11.313 -3.493 -1.292 1.00 0.00 N ATOM 469 C4 DC D 22 -11.482 -4.815 -1.289 1.00 0.00 C ATOM 470 N4 DC D 22 -11.685 -5.414 -2.452 1.00 0.00 N ATOM 471 C5 DC D 22 -11.445 -5.576 -0.078 1.00 0.00 C ATOM 472 C6 DC D 22 -11.230 -4.895 1.066 1.00 0.00 C ATOM 0 H5' DC D 22 -12.101 -4.081 6.143 1.00 0.00 H new ATOM 0 H5'' DC D 22 -12.301 -4.836 4.574 1.00 0.00 H new ATOM 0 H4' DC D 22 -9.959 -3.117 5.342 1.00 0.00 H new ATOM 0 H3' DC D 22 -12.437 -1.953 5.091 1.00 0.00 H new ATOM 0 H2' DC D 22 -12.856 -3.152 2.926 1.00 0.00 H new ATOM 0 H2'' DC D 22 -12.496 -1.495 2.481 1.00 0.00 H new ATOM 0 HO3' DC D 22 -11.414 -0.134 4.210 1.00 0.00 H new ATOM 0 H1' DC D 22 -10.137 -2.015 2.039 1.00 0.00 H new ATOM 0 H41 DC D 22 -11.818 -6.425 -2.489 1.00 0.00 H new ATOM 0 H42 DC D 22 -11.708 -4.865 -3.311 1.00 0.00 H new ATOM 0 H5 DC D 22 -11.583 -6.647 -0.080 1.00 0.00 H new ATOM 0 H6 DC D 22 -11.196 -5.427 2.005 1.00 0.00 H new TER 485 DC D 22 HETATM 486 N1 QUI A 0 4.923 0.613 -0.405 1.00 0.00 N HETATM 487 C2 QUI A 0 4.862 1.909 -0.814 1.00 0.00 C HETATM 488 C3 QUI A 0 5.067 2.246 -2.166 1.00 0.00 C HETATM 489 N4 QUI A 0 5.331 1.284 -3.089 1.00 0.00 N HETATM 490 C5 QUI A 0 5.673 -0.998 -3.630 1.00 0.00 C HETATM 491 C6 QUI A 0 5.746 -2.339 -3.220 1.00 0.00 C HETATM 492 C7 QUI A 0 5.541 -2.693 -1.860 1.00 0.00 C HETATM 493 C8 QUI A 0 5.261 -1.680 -0.914 1.00 0.00 C HETATM 494 C9 QUI A 0 5.187 -0.344 -1.321 1.00 0.00 C HETATM 495 C10 QUI A 0 5.394 -0.010 -2.677 1.00 0.00 C HETATM 496 C QUI A 0 4.601 2.957 0.188 1.00 0.00 C HETATM 497 O1 QUI A 0 4.800 4.147 -0.100 1.00 0.00 O HETATM 0 H8 QUI A 0 5.103 -1.940 0.133 1.00 0.00 H new HETATM 0 H7 QUI A 0 5.599 -3.736 -1.548 1.00 0.00 H new HETATM 0 H6 QUI A 0 5.962 -3.116 -3.953 1.00 0.00 H new HETATM 0 H5 QUI A 0 5.831 -0.730 -4.675 1.00 0.00 H new HETATM 0 H3 QUI A 0 5.013 3.290 -2.475 1.00 0.00 H new HETATM 503 N1 QUI A 9 -4.548 -0.971 -2.059 1.00 0.00 N HETATM 504 C2 QUI A 9 -4.299 -2.301 -2.201 1.00 0.00 C HETATM 505 C3 QUI A 9 -3.843 -2.814 -3.432 1.00 0.00 C HETATM 506 N4 QUI A 9 -3.643 -1.992 -4.495 1.00 0.00 N HETATM 507 C5 QUI A 9 -3.689 0.175 -5.453 1.00 0.00 C HETATM 508 C6 QUI A 9 -3.947 1.550 -5.323 1.00 0.00 C HETATM 509 C7 QUI A 9 -4.409 2.088 -4.093 1.00 0.00 C HETATM 510 C8 QUI A 9 -4.607 1.219 -2.993 1.00 0.00 C HETATM 511 C9 QUI A 9 -4.350 -0.152 -3.118 1.00 0.00 C HETATM 512 C10 QUI A 9 -3.892 -0.667 -4.350 1.00 0.00 C HETATM 513 C QUI A 9 -4.510 -3.207 -1.055 1.00 0.00 C HETATM 514 O1 QUI A 9 -4.752 -4.404 -1.253 1.00 0.00 O HETATM 0 H8 QUI A 9 -4.962 1.619 -2.043 1.00 0.00 H new HETATM 0 H7 QUI A 9 -4.608 3.155 -3.997 1.00 0.00 H new HETATM 0 H6 QUI A 9 -3.791 2.211 -6.176 1.00 0.00 H new HETATM 0 H5 QUI A 9 -3.335 -0.233 -6.400 1.00 0.00 H new HETATM 0 H3 QUI A 9 -3.649 -3.882 -3.532 1.00 0.00 H new