USER MOD reduce.3.24.130724 H: found=0, std=0, add=200, 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 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 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 180:sc= 0 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 3.971 3.052 1.631 1.00 0.00 N HETATM 2 CA DSN A 1 3.659 4.022 2.756 1.00 0.00 C HETATM 3 C DSN A 1 2.202 4.041 3.283 1.00 0.00 C HETATM 4 O DSN A 1 1.961 4.353 4.432 1.00 0.00 O HETATM 5 CB DSN A 1 4.651 3.691 3.919 1.00 0.00 C HETATM 6 OG DSN A 1 4.559 2.291 4.143 1.00 0.00 O HETATM 0 HB3 DSN A 1 5.669 3.975 3.653 1.00 0.00 H new HETATM 0 HB2 DSN A 1 4.391 4.246 4.820 1.00 0.00 H new HETATM 0 HA DSN A 1 3.779 5.025 2.346 1.00 0.00 H new HETATM 0 H DSN A 1 3.236 2.451 1.257 1.00 0.00 H new ATOM 11 N ALA A 2 1.271 3.721 2.432 1.00 0.00 N ATOM 12 CA ALA A 2 -0.185 3.705 2.814 1.00 0.00 C ATOM 13 C ALA A 2 -0.789 2.270 2.822 1.00 0.00 C ATOM 14 O ALA A 2 -0.246 1.408 2.161 1.00 0.00 O ATOM 15 CB ALA A 2 -0.892 4.620 1.807 1.00 0.00 C ATOM 0 H ALA A 2 1.453 3.462 1.462 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.318 4.060 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.958 4.652 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.477 5.626 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.744 4.234 0.798 1.00 0.00 H new HETATM 21 N NCY A 3 -1.892 2.097 3.538 1.00 0.00 N HETATM 22 CA NCY A 3 -2.515 0.708 3.591 1.00 0.00 C HETATM 23 CB NCY A 3 -2.866 0.432 5.102 1.00 0.00 C HETATM 24 SG NCY A 3 -1.905 -0.812 6.003 1.00 0.00 S HETATM 25 CN NCY A 3 -2.871 3.204 3.823 1.00 0.00 C HETATM 26 C NCY A 3 -3.735 0.281 2.693 1.00 0.00 C HETATM 27 O NCY A 3 -3.552 -0.637 1.905 1.00 0.00 O HETATM 0 HCN3 NCY A 3 -3.674 3.178 3.086 1.00 0.00 H new HETATM 0 HCN2 NCY A 3 -3.289 3.072 4.821 1.00 0.00 H new HETATM 0 HCN1 NCY A 3 -2.360 4.165 3.769 1.00 0.00 H new HETATM 0 HB3 NCY A 3 -2.774 1.375 5.641 1.00 0.00 H new HETATM 0 HB2 NCY A 3 -3.915 0.139 5.150 1.00 0.00 H new HETATM 0 HA NCY A 3 -1.741 0.097 3.126 1.00 0.00 H new HETATM 34 N MVA A 4 -4.924 0.891 2.771 1.00 0.00 N HETATM 35 CN MVA A 4 -5.544 2.222 3.192 1.00 0.00 C HETATM 36 CA MVA A 4 -6.054 0.401 1.859 1.00 0.00 C HETATM 37 CB MVA A 4 -6.005 1.254 0.499 1.00 0.00 C HETATM 38 CG1 MVA A 4 -6.870 2.539 0.506 1.00 0.00 C HETATM 39 CG2 MVA A 4 -4.550 1.735 0.214 1.00 0.00 C HETATM 40 C MVA A 4 -6.123 -1.131 1.504 1.00 0.00 C HETATM 41 O MVA A 4 -6.515 -1.527 0.421 1.00 0.00 O HETATM 0 HG23 MVA A 4 -4.205 2.360 1.038 1.00 0.00 H new HETATM 0 HG22 MVA A 4 -3.894 0.870 0.115 1.00 0.00 H new HETATM 0 HG21 MVA A 4 -4.532 2.312 -0.711 1.00 0.00 H new HETATM 0 HG13 MVA A 4 -7.914 2.274 0.672 1.00 0.00 H new HETATM 0 HG12 MVA A 4 -6.532 3.201 1.304 1.00 0.00 H new HETATM 0 HG11 MVA A 4 -6.773 3.048 -0.453 1.00 0.00 H new HETATM 0 HN3 MVA A 4 -5.718 2.838 2.310 1.00 0.00 H new HETATM 0 HN2 MVA A 4 -6.492 2.038 3.698 1.00 0.00 H new HETATM 0 HN1 MVA A 4 -4.866 2.741 3.869 1.00 0.00 H new HETATM 0 HB MVA A 4 -6.394 0.569 -0.255 1.00 0.00 H new HETATM 0 HA MVA A 4 -6.955 0.553 2.453 1.00 0.00 H new HETATM 53 N DSN A 5 -4.249 -3.069 0.481 1.00 0.00 N HETATM 54 CA DSN A 5 -4.450 -3.891 1.732 1.00 0.00 C HETATM 55 C DSN A 5 -3.296 -3.889 2.770 1.00 0.00 C HETATM 56 O DSN A 5 -3.511 -4.199 3.924 1.00 0.00 O HETATM 57 CB DSN A 5 -5.788 -3.394 2.375 1.00 0.00 C HETATM 58 OG DSN A 5 -5.744 -1.980 2.465 1.00 0.00 O HETATM 0 HB3 DSN A 5 -6.639 -3.709 1.771 1.00 0.00 H new HETATM 0 HB2 DSN A 5 -5.919 -3.833 3.364 1.00 0.00 H new HETATM 0 HA DSN A 5 -4.477 -4.937 1.427 1.00 0.00 H new HETATM 0 H DSN A 5 -3.384 -2.545 0.349 1.00 0.00 H new ATOM 63 N ALA A 6 -2.110 -3.555 2.329 1.00 0.00 N ATOM 64 CA ALA A 6 -0.894 -3.512 3.222 1.00 0.00 C ATOM 65 C ALA A 6 -0.262 -2.081 3.293 1.00 0.00 C ATOM 66 O ALA A 6 -0.443 -1.340 2.347 1.00 0.00 O ATOM 67 CB ALA A 6 0.069 -4.574 2.639 1.00 0.00 C ATOM 0 H ALA A 6 -1.921 -3.302 1.359 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.141 -3.736 4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.981 -4.604 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.412 -5.552 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.317 -4.315 1.610 1.00 0.00 H new HETATM 73 N NCY A 7 0.474 -1.769 4.355 1.00 0.00 N HETATM 74 CA NCY A 7 1.081 -0.363 4.454 1.00 0.00 C HETATM 75 CB NCY A 7 1.057 0.087 5.971 1.00 0.00 C HETATM 76 SG NCY A 7 -0.474 0.273 6.926 1.00 0.00 S HETATM 77 CN NCY A 7 1.290 -2.844 5.019 1.00 0.00 C HETATM 78 C NCY A 7 2.507 0.017 3.901 1.00 0.00 C HETATM 79 O NCY A 7 2.590 0.856 3.011 1.00 0.00 O HETATM 0 HCN3 NCY A 7 2.276 -2.890 4.557 1.00 0.00 H new HETATM 0 HCN2 NCY A 7 1.396 -2.617 6.080 1.00 0.00 H new HETATM 0 HCN1 NCY A 7 0.790 -3.805 4.902 1.00 0.00 H new HETATM 0 HB3 NCY A 7 1.675 -0.627 6.515 1.00 0.00 H new HETATM 0 HB2 NCY A 7 1.568 1.049 6.016 1.00 0.00 H new HETATM 0 HA NCY A 7 0.433 0.149 3.742 1.00 0.00 H new HETATM 86 N MVA A 8 3.606 -0.562 4.396 1.00 0.00 N HETATM 87 CN MVA A 8 4.048 -1.894 5.011 1.00 0.00 C HETATM 88 CA MVA A 8 4.963 -0.148 3.827 1.00 0.00 C HETATM 89 CB MVA A 8 5.265 -1.074 2.545 1.00 0.00 C HETATM 90 CG1 MVA A 8 6.041 -2.387 2.842 1.00 0.00 C HETATM 91 CG2 MVA A 8 3.948 -1.531 1.856 1.00 0.00 C HETATM 92 C MVA A 8 5.215 1.358 3.443 1.00 0.00 C HETATM 93 O MVA A 8 5.990 1.663 2.555 1.00 0.00 O HETATM 0 HG23 MVA A 8 3.347 -2.103 2.563 1.00 0.00 H new HETATM 0 HG22 MVA A 8 3.387 -0.656 1.527 1.00 0.00 H new HETATM 0 HG21 MVA A 8 4.186 -2.154 0.994 1.00 0.00 H new HETATM 0 HG13 MVA A 8 7.008 -2.146 3.284 1.00 0.00 H new HETATM 0 HG12 MVA A 8 5.467 -3.000 3.537 1.00 0.00 H new HETATM 0 HG11 MVA A 8 6.193 -2.938 1.914 1.00 0.00 H new HETATM 0 HN3 MVA A 8 4.439 -2.544 4.228 1.00 0.00 H new HETATM 0 HN2 MVA A 8 4.825 -1.712 5.754 1.00 0.00 H new HETATM 0 HN1 MVA A 8 3.195 -2.375 5.489 1.00 0.00 H new HETATM 0 HB MVA A 8 5.880 -0.426 1.920 1.00 0.00 H new HETATM 0 HA MVA A 8 5.643 -0.287 4.668 1.00 0.00 H new TER 105 MVA A 8 ATOM 106 O5' DG C 11 -11.188 1.879 -12.566 1.00 0.00 O ATOM 107 C5' DG C 11 -11.175 0.633 -11.856 1.00 0.00 C ATOM 108 C4' DG C 11 -11.333 0.848 -10.353 1.00 0.00 C ATOM 109 O4' DG C 11 -11.330 -0.393 -9.627 1.00 0.00 O ATOM 110 C3' DG C 11 -10.189 1.688 -9.762 1.00 0.00 C ATOM 111 O3' DG C 11 -10.593 3.051 -9.542 1.00 0.00 O ATOM 112 C2' DG C 11 -9.867 0.929 -8.480 1.00 0.00 C ATOM 113 C1' DG C 11 -11.027 -0.023 -8.274 1.00 0.00 C ATOM 114 N9 DG C 11 -10.642 -1.220 -7.508 1.00 0.00 N ATOM 115 C8 DG C 11 -10.222 -2.428 -7.972 1.00 0.00 C ATOM 116 N7 DG C 11 -9.948 -3.328 -7.075 1.00 0.00 N ATOM 117 C5 DG C 11 -10.216 -2.644 -5.886 1.00 0.00 C ATOM 118 C6 DG C 11 -10.153 -3.091 -4.538 1.00 0.00 C ATOM 119 O6 DG C 11 -9.809 -4.181 -4.088 1.00 0.00 O ATOM 120 N1 DG C 11 -10.548 -2.115 -3.664 1.00 0.00 N ATOM 121 C2 DG C 11 -10.953 -0.864 -4.013 1.00 0.00 C ATOM 122 N2 DG C 11 -11.290 -0.068 -3.023 1.00 0.00 N ATOM 123 N3 DG C 11 -11.023 -0.414 -5.258 1.00 0.00 N ATOM 124 C4 DG C 11 -10.639 -1.359 -6.145 1.00 0.00 C ATOM 0 H5' DG C 11 -10.240 0.109 -12.054 1.00 0.00 H new ATOM 0 H5'' DG C 11 -11.981 -0.004 -12.221 1.00 0.00 H new ATOM 0 H4' DG C 11 -12.288 1.362 -10.246 1.00 0.00 H new ATOM 0 H3' DG C 11 -9.321 1.791 -10.413 1.00 0.00 H new ATOM 0 H2' DG C 11 -8.925 0.387 -8.570 1.00 0.00 H new ATOM 0 H2'' DG C 11 -9.763 1.610 -7.636 1.00 0.00 H new ATOM 0 HO5' DG C 11 -11.083 1.710 -13.526 1.00 0.00 H new ATOM 0 H1' DG C 11 -11.848 0.422 -7.712 1.00 0.00 H new ATOM 0 H8 DG C 11 -10.122 -2.628 -9.029 1.00 0.00 H new ATOM 0 H1 DG C 11 -10.538 -2.344 -2.670 1.00 0.00 H new ATOM 0 H21 DG C 11 -11.603 0.883 -3.217 1.00 0.00 H new ATOM 0 H22 DG C 11 -11.239 -0.402 -2.060 1.00 0.00 H new ATOM 137 P DA C 12 -9.623 4.180 -8.908 1.00 0.00 P ATOM 138 OP1 DA C 12 -10.226 5.503 -9.183 1.00 0.00 O ATOM 139 OP2 DA C 12 -8.238 3.900 -9.352 1.00 0.00 O ATOM 140 O5' DA C 12 -9.731 3.877 -7.329 1.00 0.00 O ATOM 141 C5' DA C 12 -8.779 4.335 -6.353 1.00 0.00 C ATOM 142 C4' DA C 12 -9.257 4.047 -4.924 1.00 0.00 C ATOM 143 O4' DA C 12 -9.453 2.636 -4.691 1.00 0.00 O ATOM 144 C3' DA C 12 -8.260 4.515 -3.858 1.00 0.00 C ATOM 145 O3' DA C 12 -8.940 4.787 -2.626 1.00 0.00 O ATOM 146 C2' DA C 12 -7.421 3.269 -3.731 1.00 0.00 C ATOM 147 C1' DA C 12 -8.456 2.162 -3.767 1.00 0.00 C ATOM 148 N9 DA C 12 -7.921 0.899 -4.298 1.00 0.00 N ATOM 149 C8 DA C 12 -7.463 0.626 -5.552 1.00 0.00 C ATOM 150 N7 DA C 12 -7.060 -0.591 -5.767 1.00 0.00 N ATOM 151 C5 DA C 12 -7.276 -1.186 -4.521 1.00 0.00 C ATOM 152 C6 DA C 12 -7.112 -2.496 -4.057 1.00 0.00 C ATOM 153 N6 DA C 12 -6.634 -3.491 -4.789 1.00 0.00 N ATOM 154 N1 DA C 12 -7.470 -2.757 -2.799 1.00 0.00 N ATOM 155 C2 DA C 12 -7.963 -1.792 -2.034 1.00 0.00 C ATOM 156 N3 DA C 12 -8.169 -0.523 -2.348 1.00 0.00 N ATOM 157 C4 DA C 12 -7.798 -0.286 -3.626 1.00 0.00 C ATOM 0 H5' DA C 12 -8.618 5.406 -6.475 1.00 0.00 H new ATOM 0 H5'' DA C 12 -7.819 3.847 -6.522 1.00 0.00 H new ATOM 0 H4' DA C 12 -10.194 4.597 -4.839 1.00 0.00 H new ATOM 0 H3' DA C 12 -7.711 5.425 -4.098 1.00 0.00 H new ATOM 0 H2' DA C 12 -6.704 3.179 -4.547 1.00 0.00 H new ATOM 0 H2'' DA C 12 -6.850 3.259 -2.803 1.00 0.00 H new ATOM 0 H1' DA C 12 -8.820 1.956 -2.760 1.00 0.00 H new ATOM 0 H8 DA C 12 -7.436 1.380 -6.325 1.00 0.00 H new ATOM 0 H61 DA C 12 -6.542 -4.423 -4.385 1.00 0.00 H new ATOM 0 H62 DA C 12 -6.358 -3.325 -5.757 1.00 0.00 H new ATOM 0 H2 DA C 12 -8.230 -2.078 -1.027 1.00 0.00 H new ATOM 169 P DC C 13 -8.647 6.077 -1.707 1.00 0.00 P ATOM 170 OP1 DC C 13 -9.550 6.011 -0.536 1.00 0.00 O ATOM 171 OP2 DC C 13 -8.663 7.277 -2.576 1.00 0.00 O ATOM 172 O5' DC C 13 -7.133 5.834 -1.188 1.00 0.00 O ATOM 173 C5' DC C 13 -5.965 6.438 -1.784 1.00 0.00 C ATOM 174 C4' DC C 13 -4.694 6.101 -1.005 1.00 0.00 C ATOM 175 O4' DC C 13 -4.326 4.717 -1.154 1.00 0.00 O ATOM 176 C3' DC C 13 -3.450 6.848 -1.475 1.00 0.00 C ATOM 177 O3' DC C 13 -3.459 8.219 -1.041 1.00 0.00 O ATOM 178 C2' DC C 13 -2.415 6.012 -0.754 1.00 0.00 C ATOM 179 C1' DC C 13 -2.919 4.580 -0.871 1.00 0.00 C ATOM 180 N1 DC C 13 -2.224 3.764 -1.900 1.00 0.00 N ATOM 181 C2 DC C 13 -1.640 2.567 -1.501 1.00 0.00 C ATOM 182 O2 DC C 13 -1.668 2.187 -0.337 1.00 0.00 O ATOM 183 N3 DC C 13 -1.019 1.803 -2.426 1.00 0.00 N ATOM 184 C4 DC C 13 -0.968 2.192 -3.693 1.00 0.00 C ATOM 185 N4 DC C 13 -0.359 1.387 -4.541 1.00 0.00 N ATOM 186 C5 DC C 13 -1.552 3.416 -4.137 1.00 0.00 C ATOM 187 C6 DC C 13 -2.169 4.169 -3.204 1.00 0.00 C ATOM 0 H5' DC C 13 -6.093 7.520 -1.820 1.00 0.00 H new ATOM 0 H5'' DC C 13 -5.863 6.094 -2.813 1.00 0.00 H new ATOM 0 H4' DC C 13 -4.959 6.379 0.015 1.00 0.00 H new ATOM 0 H3' DC C 13 -3.313 6.936 -2.553 1.00 0.00 H new ATOM 0 H2' DC C 13 -1.431 6.123 -1.209 1.00 0.00 H new ATOM 0 H2'' DC C 13 -2.320 6.314 0.289 1.00 0.00 H new ATOM 0 H1' DC C 13 -2.718 4.029 0.048 1.00 0.00 H new ATOM 0 H41 DC C 13 -0.293 1.640 -5.527 1.00 0.00 H new ATOM 0 H42 DC C 13 0.046 0.511 -4.211 1.00 0.00 H new ATOM 0 H5 DC C 13 -1.502 3.724 -5.171 1.00 0.00 H new ATOM 0 H6 DC C 13 -2.626 5.105 -3.491 1.00 0.00 H new ATOM 199 P DG C 14 -2.197 9.211 -1.238 1.00 0.00 P ATOM 200 OP1 DG C 14 -2.637 10.592 -0.940 1.00 0.00 O ATOM 201 OP2 DG C 14 -1.548 8.901 -2.535 1.00 0.00 O ATOM 202 O5' DG C 14 -1.239 8.708 -0.035 1.00 0.00 O ATOM 203 C5' DG C 14 0.178 8.932 0.068 1.00 0.00 C ATOM 204 C4' DG C 14 0.882 7.660 0.544 1.00 0.00 C ATOM 205 O4' DG C 14 0.739 6.572 -0.397 1.00 0.00 O ATOM 206 C3' DG C 14 2.392 7.821 0.825 1.00 0.00 C ATOM 207 O3' DG C 14 2.735 7.347 2.141 1.00 0.00 O ATOM 208 C2' DG C 14 2.976 6.873 -0.195 1.00 0.00 C ATOM 209 C1' DG C 14 1.925 5.785 -0.292 1.00 0.00 C ATOM 210 N9 DG C 14 2.066 4.878 -1.446 1.00 0.00 N ATOM 211 C8 DG C 14 2.292 5.166 -2.758 1.00 0.00 C ATOM 212 N7 DG C 14 2.371 4.148 -3.562 1.00 0.00 N ATOM 213 C5 DG C 14 2.179 3.071 -2.696 1.00 0.00 C ATOM 214 C6 DG C 14 2.201 1.670 -2.951 1.00 0.00 C ATOM 215 O6 DG C 14 2.350 1.083 -4.016 1.00 0.00 O ATOM 216 N1 DG C 14 2.020 0.935 -1.808 1.00 0.00 N ATOM 217 C2 DG C 14 1.837 1.463 -0.556 1.00 0.00 C ATOM 218 N2 DG C 14 1.661 0.623 0.432 1.00 0.00 N ATOM 219 N3 DG C 14 1.816 2.768 -0.294 1.00 0.00 N ATOM 220 C4 DG C 14 1.993 3.510 -1.407 1.00 0.00 C ATOM 0 H5' DG C 14 0.375 9.747 0.764 1.00 0.00 H new ATOM 0 H5'' DG C 14 0.577 9.236 -0.900 1.00 0.00 H new ATOM 0 H4' DG C 14 0.377 7.439 1.485 1.00 0.00 H new ATOM 0 H3' DG C 14 2.735 8.854 0.770 1.00 0.00 H new ATOM 0 H2' DG C 14 3.139 7.363 -1.155 1.00 0.00 H new ATOM 0 H2'' DG C 14 3.939 6.476 0.128 1.00 0.00 H new ATOM 0 H1' DG C 14 1.970 5.092 0.548 1.00 0.00 H new ATOM 0 H8 DG C 14 2.399 6.181 -3.110 1.00 0.00 H new ATOM 0 H1 DG C 14 2.022 -0.081 -1.896 1.00 0.00 H new ATOM 0 H21 DG C 14 1.521 0.973 1.380 1.00 0.00 H new ATOM 0 H22 DG C 14 1.664 -0.381 0.254 1.00 0.00 H new ATOM 232 P DT C 15 2.346 8.126 3.512 1.00 0.00 P ATOM 233 OP1 DT C 15 2.822 7.334 4.666 1.00 0.00 O ATOM 234 OP2 DT C 15 0.916 8.499 3.435 1.00 0.00 O ATOM 235 O5' DT C 15 3.199 9.510 3.446 1.00 0.00 O ATOM 236 C5' DT C 15 4.602 9.734 3.729 1.00 0.00 C ATOM 237 C4' DT C 15 5.389 8.533 4.291 1.00 0.00 C ATOM 238 O4' DT C 15 5.475 7.453 3.332 1.00 0.00 O ATOM 239 C3' DT C 15 6.824 8.928 4.659 1.00 0.00 C ATOM 240 O3' DT C 15 7.251 8.353 5.906 1.00 0.00 O ATOM 241 C2' DT C 15 7.569 8.340 3.502 1.00 0.00 C ATOM 242 C1' DT C 15 6.843 7.041 3.220 1.00 0.00 C ATOM 243 N1 DT C 15 7.108 6.579 1.842 1.00 0.00 N ATOM 244 C2 DT C 15 7.796 5.397 1.650 1.00 0.00 C ATOM 245 O2 DT C 15 8.212 4.698 2.568 1.00 0.00 O ATOM 246 N3 DT C 15 8.006 5.028 0.350 1.00 0.00 N ATOM 247 C4 DT C 15 7.600 5.714 -0.765 1.00 0.00 C ATOM 248 O4 DT C 15 7.858 5.266 -1.878 1.00 0.00 O ATOM 249 C5 DT C 15 6.886 6.941 -0.487 1.00 0.00 C ATOM 250 C7 DT C 15 6.373 7.812 -1.643 1.00 0.00 C ATOM 251 C6 DT C 15 6.669 7.323 0.785 1.00 0.00 C ATOM 0 H5' DT C 15 4.680 10.556 4.440 1.00 0.00 H new ATOM 0 H5'' DT C 15 5.088 10.061 2.810 1.00 0.00 H new ATOM 0 H4' DT C 15 4.843 8.207 5.176 1.00 0.00 H new ATOM 0 H3' DT C 15 6.968 9.998 4.808 1.00 0.00 H new ATOM 0 H2' DT C 15 7.551 9.003 2.637 1.00 0.00 H new ATOM 0 H2'' DT C 15 8.616 8.166 3.749 1.00 0.00 H new ATOM 0 H1' DT C 15 7.134 6.222 3.878 1.00 0.00 H new ATOM 0 H3 DT C 15 8.514 4.157 0.195 1.00 0.00 H new ATOM 0 H71 DT C 15 5.472 8.340 -1.329 1.00 0.00 H new ATOM 0 H72 DT C 15 7.139 8.536 -1.921 1.00 0.00 H new ATOM 0 H73 DT C 15 6.143 7.180 -2.501 1.00 0.00 H new ATOM 0 H6 DT C 15 6.134 8.242 0.974 1.00 0.00 H new ATOM 264 P DC C 16 8.523 8.891 6.749 1.00 0.00 P ATOM 265 OP1 DC C 16 8.046 9.432 8.042 1.00 0.00 O ATOM 266 OP2 DC C 16 9.360 9.732 5.863 1.00 0.00 O ATOM 267 O5' DC C 16 9.344 7.525 7.030 1.00 0.00 O ATOM 268 C5' DC C 16 9.026 6.607 8.094 1.00 0.00 C ATOM 269 C4' DC C 16 9.691 5.243 7.903 1.00 0.00 C ATOM 270 O4' DC C 16 9.208 4.543 6.733 1.00 0.00 O ATOM 271 C3' DC C 16 11.211 5.348 7.748 1.00 0.00 C ATOM 272 O3' DC C 16 11.934 5.526 8.972 1.00 0.00 O ATOM 273 C2' DC C 16 11.458 4.014 7.093 1.00 0.00 C ATOM 274 C1' DC C 16 10.324 3.902 6.082 1.00 0.00 C ATOM 275 N1 DC C 16 10.596 4.520 4.762 1.00 0.00 N ATOM 276 C2 DC C 16 11.052 3.708 3.731 1.00 0.00 C ATOM 277 O2 DC C 16 11.256 2.505 3.888 1.00 0.00 O ATOM 278 N3 DC C 16 11.284 4.263 2.517 1.00 0.00 N ATOM 279 C4 DC C 16 11.080 5.562 2.314 1.00 0.00 C ATOM 280 N4 DC C 16 11.314 6.047 1.104 1.00 0.00 N ATOM 281 C5 DC C 16 10.615 6.420 3.355 1.00 0.00 C ATOM 282 C6 DC C 16 10.386 5.858 4.558 1.00 0.00 C ATOM 0 H5' DC C 16 7.945 6.477 8.148 1.00 0.00 H new ATOM 0 H5'' DC C 16 9.344 7.033 9.046 1.00 0.00 H new ATOM 0 H4' DC C 16 9.433 4.694 8.808 1.00 0.00 H new ATOM 0 H3' DC C 16 11.553 6.225 7.198 1.00 0.00 H new ATOM 0 H2' DC C 16 12.434 3.979 6.608 1.00 0.00 H new ATOM 0 H2'' DC C 16 11.433 3.200 7.817 1.00 0.00 H new ATOM 0 HO3' DC C 16 12.893 5.581 8.780 1.00 0.00 H new ATOM 0 H1' DC C 16 10.152 2.856 5.830 1.00 0.00 H new ATOM 0 H41 DC C 16 11.168 7.039 0.915 1.00 0.00 H new ATOM 0 H42 DC C 16 11.641 5.429 0.361 1.00 0.00 H new ATOM 0 H5 DC C 16 10.454 7.474 3.186 1.00 0.00 H new ATOM 0 H6 DC C 16 10.032 6.471 5.373 1.00 0.00 H new TER 295 DC C 16 ATOM 296 O5' DG D 17 14.299 -3.946 -6.413 1.00 0.00 O ATOM 297 C5' DG D 17 14.150 -2.603 -5.933 1.00 0.00 C ATOM 298 C4' DG D 17 13.956 -2.540 -4.415 1.00 0.00 C ATOM 299 O4' DG D 17 13.797 -1.179 -3.973 1.00 0.00 O ATOM 300 C3' DG D 17 12.716 -3.309 -3.943 1.00 0.00 C ATOM 301 O3' DG D 17 13.071 -4.392 -3.071 1.00 0.00 O ATOM 302 C2' DG D 17 11.932 -2.236 -3.226 1.00 0.00 C ATOM 303 C1' DG D 17 12.959 -1.211 -2.811 1.00 0.00 C ATOM 304 N9 DG D 17 12.377 0.124 -2.590 1.00 0.00 N ATOM 305 C8 DG D 17 11.980 1.047 -3.502 1.00 0.00 C ATOM 306 N7 DG D 17 11.510 2.165 -3.031 1.00 0.00 N ATOM 307 C5 DG D 17 11.608 1.959 -1.653 1.00 0.00 C ATOM 308 C6 DG D 17 11.236 2.804 -0.568 1.00 0.00 C ATOM 309 O6 DG D 17 10.759 3.937 -0.583 1.00 0.00 O ATOM 310 N1 DG D 17 11.477 2.205 0.641 1.00 0.00 N ATOM 311 C2 DG D 17 12.005 0.960 0.810 1.00 0.00 C ATOM 312 N2 DG D 17 12.164 0.550 2.047 1.00 0.00 N ATOM 313 N3 DG D 17 12.361 0.151 -0.175 1.00 0.00 N ATOM 314 C4 DG D 17 12.134 0.716 -1.382 1.00 0.00 C ATOM 0 H5' DG D 17 13.296 -2.138 -6.425 1.00 0.00 H new ATOM 0 H5'' DG D 17 15.031 -2.023 -6.208 1.00 0.00 H new ATOM 0 H4' DG D 17 14.851 -2.995 -3.990 1.00 0.00 H new ATOM 0 H3' DG D 17 12.158 -3.785 -4.749 1.00 0.00 H new ATOM 0 H2' DG D 17 11.177 -1.796 -3.878 1.00 0.00 H new ATOM 0 H2'' DG D 17 11.408 -2.642 -2.361 1.00 0.00 H new ATOM 0 HO5' DG D 17 14.418 -3.934 -7.386 1.00 0.00 H new ATOM 0 H1' DG D 17 13.452 -1.461 -1.872 1.00 0.00 H new ATOM 0 H8 DG D 17 12.051 0.863 -4.564 1.00 0.00 H new ATOM 0 H1 DG D 17 11.242 2.733 1.481 1.00 0.00 H new ATOM 0 H21 DG D 17 12.555 -0.374 2.232 1.00 0.00 H new ATOM 0 H22 DG D 17 11.897 1.155 2.823 1.00 0.00 H new ATOM 327 P DA D 18 12.029 -5.555 -2.656 1.00 0.00 P ATOM 328 OP1 DA D 18 12.809 -6.726 -2.195 1.00 0.00 O ATOM 329 OP2 DA D 18 11.063 -5.716 -3.767 1.00 0.00 O ATOM 330 O5' DA D 18 11.232 -4.934 -1.394 1.00 0.00 O ATOM 331 C5' DA D 18 11.762 -4.939 -0.050 1.00 0.00 C ATOM 332 C4' DA D 18 10.808 -4.320 0.976 1.00 0.00 C ATOM 333 O4' DA D 18 10.606 -2.914 0.736 1.00 0.00 O ATOM 334 C3' DA D 18 9.428 -4.988 0.997 1.00 0.00 C ATOM 335 O3' DA D 18 8.955 -5.204 2.334 1.00 0.00 O ATOM 336 C2' DA D 18 8.593 -3.970 0.262 1.00 0.00 C ATOM 337 C1' DA D 18 9.199 -2.640 0.689 1.00 0.00 C ATOM 338 N9 DA D 18 8.997 -1.554 -0.286 1.00 0.00 N ATOM 339 C8 DA D 18 9.033 -1.598 -1.648 1.00 0.00 C ATOM 340 N7 DA D 18 8.838 -0.476 -2.269 1.00 0.00 N ATOM 341 C5 DA D 18 8.652 0.409 -1.205 1.00 0.00 C ATOM 342 C6 DA D 18 8.402 1.784 -1.157 1.00 0.00 C ATOM 343 N6 DA D 18 8.291 2.541 -2.237 1.00 0.00 N ATOM 344 N1 DA D 18 8.275 2.357 0.045 1.00 0.00 N ATOM 345 C2 DA D 18 8.390 1.608 1.138 1.00 0.00 C ATOM 346 N3 DA D 18 8.626 0.307 1.230 1.00 0.00 N ATOM 347 C4 DA D 18 8.748 -0.239 0.000 1.00 0.00 C ATOM 0 H5' DA D 18 12.705 -4.392 -0.036 1.00 0.00 H new ATOM 0 H5'' DA D 18 11.984 -5.965 0.243 1.00 0.00 H new ATOM 0 H4' DA D 18 11.296 -4.479 1.938 1.00 0.00 H new ATOM 0 H3' DA D 18 9.411 -5.982 0.551 1.00 0.00 H new ATOM 0 H2' DA D 18 8.649 -4.109 -0.818 1.00 0.00 H new ATOM 0 H2'' DA D 18 7.541 -4.039 0.538 1.00 0.00 H new ATOM 0 H1' DA D 18 8.742 -2.305 1.620 1.00 0.00 H new ATOM 0 H8 DA D 18 9.214 -2.519 -2.182 1.00 0.00 H new ATOM 0 H61 DA D 18 8.108 3.540 -2.143 1.00 0.00 H new ATOM 0 H62 DA D 18 8.389 2.125 -3.163 1.00 0.00 H new ATOM 0 H2 DA D 18 8.276 2.130 2.077 1.00 0.00 H new ATOM 359 P DC D 19 7.950 -6.416 2.682 1.00 0.00 P ATOM 360 OP1 DC D 19 7.789 -6.475 4.153 1.00 0.00 O ATOM 361 OP2 DC D 19 8.406 -7.616 1.944 1.00 0.00 O ATOM 362 O5' DC D 19 6.556 -5.908 2.035 1.00 0.00 O ATOM 363 C5' DC D 19 5.791 -6.627 1.048 1.00 0.00 C ATOM 364 C4' DC D 19 4.338 -6.163 1.075 1.00 0.00 C ATOM 365 O4' DC D 19 4.215 -4.783 0.694 1.00 0.00 O ATOM 366 C3' DC D 19 3.370 -6.886 0.139 1.00 0.00 C ATOM 367 O3' DC D 19 3.077 -8.222 0.569 1.00 0.00 O ATOM 368 C2' DC D 19 2.203 -5.935 0.308 1.00 0.00 C ATOM 369 C1' DC D 19 2.842 -4.546 0.353 1.00 0.00 C ATOM 370 N1 DC D 19 2.745 -3.793 -0.918 1.00 0.00 N ATOM 371 C2 DC D 19 2.093 -2.569 -0.905 1.00 0.00 C ATOM 372 O2 DC D 19 1.579 -2.121 0.111 1.00 0.00 O ATOM 373 N3 DC D 19 2.018 -1.860 -2.053 1.00 0.00 N ATOM 374 C4 DC D 19 2.557 -2.327 -3.169 1.00 0.00 C ATOM 375 N4 DC D 19 2.461 -1.569 -4.243 1.00 0.00 N ATOM 376 C5 DC D 19 3.229 -3.582 -3.217 1.00 0.00 C ATOM 377 C6 DC D 19 3.298 -4.278 -2.066 1.00 0.00 C ATOM 0 H5' DC D 19 5.843 -7.698 1.245 1.00 0.00 H new ATOM 0 H5'' DC D 19 6.215 -6.464 0.057 1.00 0.00 H new ATOM 0 H4' DC D 19 4.068 -6.375 2.110 1.00 0.00 H new ATOM 0 H3' DC D 19 3.711 -7.055 -0.883 1.00 0.00 H new ATOM 0 H2' DC D 19 1.498 -6.021 -0.519 1.00 0.00 H new ATOM 0 H2'' DC D 19 1.648 -6.146 1.222 1.00 0.00 H new ATOM 0 H1' DC D 19 2.316 -3.920 1.074 1.00 0.00 H new ATOM 0 H41 DC D 19 2.860 -1.884 -5.127 1.00 0.00 H new ATOM 0 H42 DC D 19 1.988 -0.667 -4.190 1.00 0.00 H new ATOM 0 H5 DC D 19 3.662 -3.957 -4.132 1.00 0.00 H new ATOM 0 H6 DC D 19 3.799 -5.235 -2.052 1.00 0.00 H new ATOM 389 P DG D 20 2.031 -9.202 -0.186 1.00 0.00 P ATOM 390 OP1 DG D 20 2.578 -10.578 -0.143 1.00 0.00 O ATOM 391 OP2 DG D 20 1.664 -8.605 -1.492 1.00 0.00 O ATOM 392 O5' DG D 20 0.754 -9.140 0.806 1.00 0.00 O ATOM 393 C5' DG D 20 -0.628 -9.093 0.406 1.00 0.00 C ATOM 394 C4' DG D 20 -1.264 -7.734 0.713 1.00 0.00 C ATOM 395 O4' DG D 20 -0.685 -6.663 -0.070 1.00 0.00 O ATOM 396 C3' DG D 20 -2.777 -7.722 0.426 1.00 0.00 C ATOM 397 O3' DG D 20 -3.548 -7.288 1.563 1.00 0.00 O ATOM 398 C2' DG D 20 -2.858 -6.720 -0.693 1.00 0.00 C ATOM 399 C1' DG D 20 -1.739 -5.748 -0.389 1.00 0.00 C ATOM 400 N9 DG D 20 -1.363 -4.892 -1.528 1.00 0.00 N ATOM 401 C8 DG D 20 -1.033 -5.254 -2.797 1.00 0.00 C ATOM 402 N7 DG D 20 -0.729 -4.289 -3.610 1.00 0.00 N ATOM 403 C5 DG D 20 -0.873 -3.161 -2.796 1.00 0.00 C ATOM 404 C6 DG D 20 -0.727 -1.781 -3.111 1.00 0.00 C ATOM 405 O6 DG D 20 -0.391 -1.261 -4.169 1.00 0.00 O ATOM 406 N1 DG D 20 -1.012 -0.977 -2.036 1.00 0.00 N ATOM 407 C2 DG D 20 -1.390 -1.423 -0.799 1.00 0.00 C ATOM 408 N2 DG D 20 -1.604 -0.508 0.113 1.00 0.00 N ATOM 409 N3 DG D 20 -1.536 -2.712 -0.480 1.00 0.00 N ATOM 410 C4 DG D 20 -1.259 -3.523 -1.527 1.00 0.00 C ATOM 0 H5' DG D 20 -1.182 -9.878 0.921 1.00 0.00 H new ATOM 0 H5'' DG D 20 -0.704 -9.297 -0.662 1.00 0.00 H new ATOM 0 H4' DG D 20 -1.073 -7.574 1.774 1.00 0.00 H new ATOM 0 H3' DG D 20 -3.181 -8.706 0.188 1.00 0.00 H new ATOM 0 H2' DG D 20 -2.723 -7.194 -1.665 1.00 0.00 H new ATOM 0 H2'' DG D 20 -3.827 -6.221 -0.714 1.00 0.00 H new ATOM 0 H1' DG D 20 -1.999 -5.026 0.385 1.00 0.00 H new ATOM 0 H8 DG D 20 -1.024 -6.287 -3.111 1.00 0.00 H new ATOM 0 H1 DG D 20 -0.936 0.031 -2.170 1.00 0.00 H new ATOM 0 H21 DG D 20 -1.888 -0.782 1.054 1.00 0.00 H new ATOM 0 H22 DG D 20 -1.487 0.479 -0.117 1.00 0.00 H new ATOM 422 P DT D 21 -3.843 -8.301 2.794 1.00 0.00 P ATOM 423 OP1 DT D 21 -2.618 -8.383 3.623 1.00 0.00 O ATOM 424 OP2 DT D 21 -4.422 -9.538 2.218 1.00 0.00 O ATOM 425 O5' DT D 21 -4.991 -7.562 3.659 1.00 0.00 O ATOM 426 C5' DT D 21 -6.381 -7.940 3.636 1.00 0.00 C ATOM 427 C4' DT D 21 -7.294 -6.718 3.632 1.00 0.00 C ATOM 428 O4' DT D 21 -7.064 -5.926 2.449 1.00 0.00 O ATOM 429 C3' DT D 21 -8.783 -7.059 3.670 1.00 0.00 C ATOM 430 O3' DT D 21 -9.480 -6.066 4.443 1.00 0.00 O ATOM 431 C2' DT D 21 -9.094 -6.996 2.197 1.00 0.00 C ATOM 432 C1' DT D 21 -8.278 -5.821 1.696 1.00 0.00 C ATOM 433 N1 DT D 21 -7.945 -5.936 0.258 1.00 0.00 N ATOM 434 C2 DT D 21 -8.416 -4.974 -0.609 1.00 0.00 C ATOM 435 O2 DT D 21 -9.108 -4.026 -0.260 1.00 0.00 O ATOM 436 N3 DT D 21 -8.074 -5.117 -1.920 1.00 0.00 N ATOM 437 C4 DT D 21 -7.315 -6.116 -2.460 1.00 0.00 C ATOM 438 O4 DT D 21 -7.087 -6.114 -3.666 1.00 0.00 O ATOM 439 C5 DT D 21 -6.850 -7.095 -1.499 1.00 0.00 C ATOM 440 C7 DT D 21 -5.980 -8.268 -1.966 1.00 0.00 C ATOM 441 C6 DT D 21 -7.176 -6.973 -0.195 1.00 0.00 C ATOM 0 H5' DT D 21 -6.605 -8.560 4.504 1.00 0.00 H new ATOM 0 H5'' DT D 21 -6.579 -8.546 2.752 1.00 0.00 H new ATOM 0 H4' DT D 21 -7.045 -6.173 4.542 1.00 0.00 H new ATOM 0 H3' DT D 21 -9.064 -8.006 4.131 1.00 0.00 H new ATOM 0 H2' DT D 21 -8.814 -7.920 1.691 1.00 0.00 H new ATOM 0 H2'' DT D 21 -10.159 -6.846 2.021 1.00 0.00 H new ATOM 0 H1' DT D 21 -8.819 -4.882 1.813 1.00 0.00 H new ATOM 0 H3 DT D 21 -8.420 -4.406 -2.564 1.00 0.00 H new ATOM 0 H71 DT D 21 -5.311 -8.569 -1.159 1.00 0.00 H new ATOM 0 H72 DT D 21 -6.618 -9.108 -2.240 1.00 0.00 H new ATOM 0 H73 DT D 21 -5.391 -7.962 -2.831 1.00 0.00 H new ATOM 0 H6 DT D 21 -6.821 -7.712 0.508 1.00 0.00 H new ATOM 454 P DC D 22 -10.824 -6.339 5.296 1.00 0.00 P ATOM 455 OP1 DC D 22 -10.925 -5.296 6.342 1.00 0.00 O ATOM 456 OP2 DC D 22 -10.864 -7.767 5.684 1.00 0.00 O ATOM 457 O5' DC D 22 -11.999 -6.095 4.204 1.00 0.00 O ATOM 458 C5' DC D 22 -12.877 -4.950 4.167 1.00 0.00 C ATOM 459 C4' DC D 22 -12.140 -3.592 4.172 1.00 0.00 C ATOM 460 O4' DC D 22 -11.233 -3.467 3.056 1.00 0.00 O ATOM 461 C3' DC D 22 -13.071 -2.385 4.035 1.00 0.00 C ATOM 462 O3' DC D 22 -12.381 -1.194 4.432 1.00 0.00 O ATOM 463 C2' DC D 22 -13.248 -2.390 2.538 1.00 0.00 C ATOM 464 C1' DC D 22 -11.834 -2.644 2.028 1.00 0.00 C ATOM 465 N1 DC D 22 -11.824 -3.397 0.751 1.00 0.00 N ATOM 466 C2 DC D 22 -11.729 -2.707 -0.452 1.00 0.00 C ATOM 467 O2 DC D 22 -11.661 -1.481 -0.501 1.00 0.00 O ATOM 468 N3 DC D 22 -11.710 -3.425 -1.606 1.00 0.00 N ATOM 469 C4 DC D 22 -11.779 -4.754 -1.581 1.00 0.00 C ATOM 470 N4 DC D 22 -11.755 -5.406 -2.732 1.00 0.00 N ATOM 471 C5 DC D 22 -11.878 -5.483 -0.361 1.00 0.00 C ATOM 472 C6 DC D 22 -11.896 -4.762 0.775 1.00 0.00 C ATOM 0 H5' DC D 22 -13.547 -4.991 5.026 1.00 0.00 H new ATOM 0 H5'' DC D 22 -13.499 -5.011 3.274 1.00 0.00 H new ATOM 0 H4' DC D 22 -11.631 -3.588 5.136 1.00 0.00 H new ATOM 0 H3' DC D 22 -13.987 -2.422 4.625 1.00 0.00 H new ATOM 0 H2' DC D 22 -13.940 -3.168 2.216 1.00 0.00 H new ATOM 0 H2'' DC D 22 -13.644 -1.442 2.175 1.00 0.00 H new ATOM 0 HO3' DC D 22 -12.980 -0.423 4.341 1.00 0.00 H new ATOM 0 H1' DC D 22 -11.313 -1.706 1.839 1.00 0.00 H new ATOM 0 H41 DC D 22 -11.806 -6.425 -2.742 1.00 0.00 H new ATOM 0 H42 DC D 22 -11.685 -4.890 -3.609 1.00 0.00 H new ATOM 0 H5 DC D 22 -11.936 -6.561 -0.349 1.00 0.00 H new ATOM 0 H6 DC D 22 -11.969 -5.272 1.724 1.00 0.00 H new TER 485 DC D 22 HETATM 486 N1 QUI A 0 5.093 1.038 -0.114 1.00 0.00 N HETATM 487 C2 QUI A 0 4.992 2.350 -0.462 1.00 0.00 C HETATM 488 C3 QUI A 0 5.137 2.734 -1.810 1.00 0.00 C HETATM 489 N4 QUI A 0 5.375 1.808 -2.779 1.00 0.00 N HETATM 490 C5 QUI A 0 5.727 -0.456 -3.420 1.00 0.00 C HETATM 491 C6 QUI A 0 5.836 -1.816 -3.062 1.00 0.00 C HETATM 492 C7 QUI A 0 5.694 -2.217 -1.704 1.00 0.00 C HETATM 493 C8 QUI A 0 5.442 -1.236 -0.727 1.00 0.00 C HETATM 494 C9 QUI A 0 5.332 0.115 -1.076 1.00 0.00 C HETATM 495 C10 QUI A 0 5.475 0.500 -2.422 1.00 0.00 C HETATM 496 C QUI A 0 4.738 3.367 0.590 1.00 0.00 C HETATM 497 O1 QUI A 0 5.245 4.493 0.482 1.00 0.00 O HETATM 0 H8 QUI A 0 5.331 -1.532 0.316 1.00 0.00 H new HETATM 0 H7 QUI A 0 5.779 -3.267 -1.425 1.00 0.00 H new HETATM 0 H6 QUI A 0 6.030 -2.564 -3.830 1.00 0.00 H new HETATM 0 H5 QUI A 0 5.837 -0.150 -4.460 1.00 0.00 H new HETATM 0 H3 QUI A 0 5.058 3.787 -2.081 1.00 0.00 H new HETATM 503 N1 QUI A 9 -4.667 -1.243 -1.720 1.00 0.00 N HETATM 504 C2 QUI A 9 -4.431 -2.570 -1.866 1.00 0.00 C HETATM 505 C3 QUI A 9 -3.950 -3.070 -3.094 1.00 0.00 C HETATM 506 N4 QUI A 9 -3.714 -2.234 -4.145 1.00 0.00 N HETATM 507 C5 QUI A 9 -3.723 -0.031 -5.062 1.00 0.00 C HETATM 508 C6 QUI A 9 -3.980 1.346 -4.897 1.00 0.00 C HETATM 509 C7 QUI A 9 -4.468 1.847 -3.660 1.00 0.00 C HETATM 510 C8 QUI A 9 -4.691 0.945 -2.604 1.00 0.00 C HETATM 511 C9 QUI A 9 -4.439 -0.415 -2.758 1.00 0.00 C HETATM 512 C10 QUI A 9 -3.956 -0.904 -3.986 1.00 0.00 C HETATM 513 C QUI A 9 -4.685 -3.461 -0.717 1.00 0.00 C HETATM 514 O1 QUI A 9 -5.285 -4.535 -0.885 1.00 0.00 O HETATM 0 H8 QUI A 9 -5.067 1.317 -1.651 1.00 0.00 H new HETATM 0 H7 QUI A 9 -4.666 2.911 -3.532 1.00 0.00 H new HETATM 0 H6 QUI A 9 -3.803 2.032 -5.725 1.00 0.00 H new HETATM 0 H5 QUI A 9 -3.349 -0.413 -6.012 1.00 0.00 H new HETATM 0 H3 QUI A 9 -3.765 -4.138 -3.204 1.00 0.00 H new