USER MOD reduce.3.24.130724 H: found=0, std=0, add=197, 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 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 -30:sc= 0 (180deg=-1.11) 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 -5.284 0.283 -0.402 1.00 0.00 N HETATM 2 CA DSN A 1 -5.921 0.365 -1.765 1.00 0.00 C HETATM 3 C DSN A 1 -4.961 0.630 -2.948 1.00 0.00 C HETATM 4 O DSN A 1 -5.383 0.487 -4.080 1.00 0.00 O HETATM 5 CB DSN A 1 -6.703 -0.971 -2.004 1.00 0.00 C HETATM 6 OG DSN A 1 -5.729 -1.997 -1.964 1.00 0.00 O HETATM 0 HB3 DSN A 1 -7.463 -1.122 -1.237 1.00 0.00 H new HETATM 0 HB2 DSN A 1 -7.218 -0.957 -2.965 1.00 0.00 H new HETATM 0 HA DSN A 1 -6.569 1.241 -1.750 1.00 0.00 H new HETATM 0 H DSN A 1 -4.276 0.400 -0.302 1.00 0.00 H new ATOM 11 N ALA A 2 -3.725 0.997 -2.692 1.00 0.00 N ATOM 12 CA ALA A 2 -2.767 1.268 -3.834 1.00 0.00 C ATOM 13 C ALA A 2 -1.890 0.029 -4.186 1.00 0.00 C ATOM 14 O ALA A 2 -1.680 -0.827 -3.342 1.00 0.00 O ATOM 15 CB ALA A 2 -1.888 2.536 -3.347 1.00 0.00 C ATOM 0 H ALA A 2 -3.335 1.121 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.297 1.481 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.166 2.797 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.546 3.385 -3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.359 2.281 -2.429 1.00 0.00 H new HETATM 21 N NCY A 3 -1.412 -0.030 -5.425 1.00 0.00 N HETATM 22 CA NCY A 3 -0.541 -1.208 -5.825 1.00 0.00 C HETATM 23 CB NCY A 3 -1.263 -2.096 -6.857 1.00 0.00 C HETATM 24 SG NCY A 3 -0.333 -3.371 -7.753 1.00 0.00 S HETATM 25 CN NCY A 3 -1.353 0.994 -6.551 1.00 0.00 C HETATM 26 C NCY A 3 0.721 -0.641 -6.387 1.00 0.00 C HETATM 27 O NCY A 3 0.935 -0.527 -7.580 1.00 0.00 O HETATM 0 HCN3 NCY A 3 -0.322 1.317 -6.695 1.00 0.00 H new HETATM 0 HCN2 NCY A 3 -1.724 0.544 -7.472 1.00 0.00 H new HETATM 0 HCN1 NCY A 3 -1.970 1.854 -6.293 1.00 0.00 H new HETATM 0 HB3 NCY A 3 -2.084 -2.594 -6.341 1.00 0.00 H new HETATM 0 HB2 NCY A 3 -1.708 -1.435 -7.600 1.00 0.00 H new HETATM 0 HA NCY A 3 -0.325 -1.844 -4.966 1.00 0.00 H new ATOM 34 N VAL A 4 1.515 -0.310 -5.413 1.00 0.00 N ATOM 35 CA VAL A 4 2.821 0.314 -5.764 1.00 0.00 C ATOM 36 C VAL A 4 3.982 -0.097 -4.855 1.00 0.00 C ATOM 37 O VAL A 4 4.681 0.711 -4.273 1.00 0.00 O ATOM 38 CB VAL A 4 2.458 1.914 -5.771 1.00 0.00 C ATOM 39 CG1 VAL A 4 2.146 2.359 -4.238 1.00 0.00 C ATOM 40 CG2 VAL A 4 3.609 2.968 -6.177 1.00 0.00 C ATOM 0 H VAL A 4 1.328 -0.438 -4.418 1.00 0.00 H new ATOM 0 HA VAL A 4 3.216 -0.020 -6.723 1.00 0.00 H new ATOM 0 HB VAL A 4 1.663 1.965 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.901 3.421 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.304 1.782 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.024 2.173 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.208 3.980 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.446 2.878 -5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.953 2.759 -7.190 1.00 0.00 H new HETATM 50 N DSN A 5 4.820 -0.989 -2.079 1.00 0.00 N HETATM 51 CA DSN A 5 4.958 -2.325 -2.759 1.00 0.00 C HETATM 52 C DSN A 5 3.729 -3.237 -2.654 1.00 0.00 C HETATM 53 O DSN A 5 3.535 -4.082 -3.507 1.00 0.00 O HETATM 54 CB DSN A 5 5.291 -2.073 -4.262 1.00 0.00 C HETATM 55 OG DSN A 5 4.151 -1.412 -4.768 1.00 0.00 O HETATM 0 HB3 DSN A 5 6.187 -1.462 -4.374 1.00 0.00 H new HETATM 0 HB2 DSN A 5 5.475 -3.008 -4.790 1.00 0.00 H new HETATM 0 HA DSN A 5 5.754 -2.858 -2.239 1.00 0.00 H new ATOM 60 N ALA A 6 2.931 -3.065 -1.631 1.00 0.00 N ATOM 61 CA ALA A 6 1.720 -3.944 -1.496 1.00 0.00 C ATOM 62 C ALA A 6 0.722 -3.593 -2.628 1.00 0.00 C ATOM 63 O ALA A 6 0.717 -2.460 -3.081 1.00 0.00 O ATOM 64 CB ALA A 6 1.093 -3.636 -0.073 1.00 0.00 C ATOM 0 H ALA A 6 3.057 -2.370 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 6 1.966 -5.003 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.206 -4.252 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.824 -3.861 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.817 -2.583 -0.017 1.00 0.00 H new HETATM 70 N NCY A 7 -0.072 -4.570 -3.041 1.00 0.00 N HETATM 71 CA NCY A 7 -1.069 -4.280 -4.132 1.00 0.00 C HETATM 72 CB NCY A 7 -0.735 -5.070 -5.368 1.00 0.00 C HETATM 73 SG NCY A 7 0.647 -4.436 -6.343 1.00 0.00 S HETATM 74 CN NCY A 7 -0.452 -5.905 -2.428 1.00 0.00 C HETATM 75 C NCY A 7 -2.458 -4.576 -3.643 1.00 0.00 C HETATM 76 O NCY A 7 -3.163 -5.477 -4.059 1.00 0.00 O HETATM 0 HCN3 NCY A 7 -1.460 -5.844 -2.019 1.00 0.00 H new HETATM 0 HCN2 NCY A 7 -0.418 -6.680 -3.194 1.00 0.00 H new HETATM 0 HCN1 NCY A 7 0.249 -6.152 -1.631 1.00 0.00 H new HETATM 0 HB3 NCY A 7 -0.510 -6.095 -5.074 1.00 0.00 H new HETATM 0 HB2 NCY A 7 -1.619 -5.108 -6.004 1.00 0.00 H new HETATM 0 HA NCY A 7 -1.022 -3.223 -4.396 1.00 0.00 H new ATOM 83 N VAL A 8 -2.752 -3.711 -2.713 1.00 0.00 N ATOM 84 CA VAL A 8 -4.064 -3.761 -2.021 1.00 0.00 C ATOM 85 C VAL A 8 -4.442 -2.294 -1.811 1.00 0.00 C ATOM 86 O VAL A 8 -3.591 -1.477 -1.521 1.00 0.00 O ATOM 87 CB VAL A 8 -3.805 -4.609 -0.655 1.00 0.00 C ATOM 88 CG1 VAL A 8 -3.093 -3.632 0.417 1.00 0.00 C ATOM 89 CG2 VAL A 8 -5.044 -5.124 0.250 1.00 0.00 C ATOM 0 H VAL A 8 -2.131 -2.965 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.885 -4.248 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.286 -5.475 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.909 -4.179 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.146 -3.276 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.743 -2.781 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.662 -5.668 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.628 -4.268 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.678 -5.784 -0.343 1.00 0.00 H new TER 99 VAL A 8 ATOM 100 O5' DG C 1 11.606 10.981 -0.242 1.00 0.00 O ATOM 101 C5' DG C 1 12.065 9.655 -0.523 1.00 0.00 C ATOM 102 C4' DG C 1 11.993 9.323 -2.016 1.00 0.00 C ATOM 103 O4' DG C 1 12.440 7.977 -2.297 1.00 0.00 O ATOM 104 C3' DG C 1 10.599 9.406 -2.597 1.00 0.00 C ATOM 105 O3' DG C 1 10.724 9.524 -4.023 1.00 0.00 O ATOM 106 C2' DG C 1 10.112 8.043 -2.139 1.00 0.00 C ATOM 107 C1' DG C 1 11.287 7.133 -2.536 1.00 0.00 C ATOM 108 N9 DG C 1 11.407 5.897 -1.731 1.00 0.00 N ATOM 109 C8 DG C 1 11.756 5.749 -0.422 1.00 0.00 C ATOM 110 N7 DG C 1 11.818 4.532 0.024 1.00 0.00 N ATOM 111 C5 DG C 1 11.476 3.786 -1.102 1.00 0.00 C ATOM 112 C6 DG C 1 11.426 2.378 -1.272 1.00 0.00 C ATOM 113 O6 DG C 1 11.629 1.494 -0.443 1.00 0.00 O ATOM 114 N1 DG C 1 11.109 2.028 -2.570 1.00 0.00 N ATOM 115 C2 DG C 1 10.862 2.917 -3.597 1.00 0.00 C ATOM 116 N2 DG C 1 10.562 2.388 -4.784 1.00 0.00 N ATOM 117 N3 DG C 1 10.910 4.244 -3.444 1.00 0.00 N ATOM 118 C4 DG C 1 11.222 4.607 -2.177 1.00 0.00 C ATOM 0 H5' DG C 1 11.464 8.938 0.036 1.00 0.00 H new ATOM 0 H5'' DG C 1 13.093 9.547 -0.178 1.00 0.00 H new ATOM 0 H4' DG C 1 12.639 10.076 -2.469 1.00 0.00 H new ATOM 0 H3' DG C 1 9.948 10.230 -2.306 1.00 0.00 H new ATOM 0 H2' DG C 1 9.921 8.018 -1.066 1.00 0.00 H new ATOM 0 H2'' DG C 1 9.186 7.753 -2.635 1.00 0.00 H new ATOM 0 HO5' DG C 1 11.667 11.151 0.721 1.00 0.00 H new ATOM 0 H1' DG C 1 11.167 6.775 -3.558 1.00 0.00 H new ATOM 0 H8 DG C 1 11.969 6.598 0.210 1.00 0.00 H new ATOM 0 H1 DG C 1 11.053 1.033 -2.787 1.00 0.00 H new ATOM 0 H21 DG C 1 10.370 2.997 -5.580 1.00 0.00 H new ATOM 0 H22 DG C 1 10.525 1.375 -4.896 1.00 0.00 H new ATOM 131 P DA C 2 9.727 10.355 -4.980 1.00 0.00 P ATOM 132 OP1 DA C 2 10.431 10.611 -6.256 1.00 0.00 O ATOM 133 OP2 DA C 2 9.179 11.493 -4.205 1.00 0.00 O ATOM 134 O5' DA C 2 8.539 9.304 -5.272 1.00 0.00 O ATOM 135 C5' DA C 2 7.233 9.430 -4.707 1.00 0.00 C ATOM 136 C4' DA C 2 6.412 8.158 -4.924 1.00 0.00 C ATOM 137 O4' DA C 2 7.050 7.039 -4.269 1.00 0.00 O ATOM 138 C3' DA C 2 4.995 8.280 -4.330 1.00 0.00 C ATOM 139 O3' DA C 2 4.050 7.470 -5.046 1.00 0.00 O ATOM 140 C2' DA C 2 5.255 7.688 -2.963 1.00 0.00 C ATOM 141 C1' DA C 2 6.142 6.504 -3.295 1.00 0.00 C ATOM 142 N9 DA C 2 6.841 5.890 -2.146 1.00 0.00 N ATOM 143 C8 DA C 2 7.231 6.430 -0.958 1.00 0.00 C ATOM 144 N7 DA C 2 7.823 5.624 -0.126 1.00 0.00 N ATOM 145 C5 DA C 2 7.829 4.424 -0.835 1.00 0.00 C ATOM 146 C6 DA C 2 8.324 3.146 -0.535 1.00 0.00 C ATOM 147 N6 DA C 2 8.920 2.841 0.619 1.00 0.00 N ATOM 148 N1 DA C 2 8.174 2.197 -1.470 1.00 0.00 N ATOM 149 C2 DA C 2 7.578 2.485 -2.620 1.00 0.00 C ATOM 150 N3 DA C 2 7.074 3.640 -3.015 1.00 0.00 N ATOM 151 C4 DA C 2 7.236 4.579 -2.060 1.00 0.00 C ATOM 0 H5' DA C 2 6.719 10.279 -5.158 1.00 0.00 H new ATOM 0 H5'' DA C 2 7.314 9.636 -3.640 1.00 0.00 H new ATOM 0 H4' DA C 2 6.347 8.008 -6.002 1.00 0.00 H new ATOM 0 H3' DA C 2 4.574 9.285 -4.349 1.00 0.00 H new ATOM 0 H2' DA C 2 5.751 8.396 -2.300 1.00 0.00 H new ATOM 0 H2'' DA C 2 4.333 7.381 -2.469 1.00 0.00 H new ATOM 0 H1' DA C 2 5.550 5.663 -3.656 1.00 0.00 H new ATOM 0 H8 DA C 2 7.058 7.469 -0.720 1.00 0.00 H new ATOM 0 H61 DA C 2 9.261 1.894 0.782 1.00 0.00 H new ATOM 0 H62 DA C 2 9.035 3.555 1.338 1.00 0.00 H new ATOM 0 H2 DA C 2 7.494 1.670 -3.324 1.00 0.00 H new ATOM 163 P DT C 3 2.464 7.774 -5.035 1.00 0.00 P ATOM 164 OP1 DT C 3 1.752 6.508 -5.319 1.00 0.00 O ATOM 165 OP2 DT C 3 2.213 8.967 -5.876 1.00 0.00 O ATOM 166 O5' DT C 3 2.194 8.174 -3.494 1.00 0.00 O ATOM 167 C5' DT C 3 0.886 8.322 -2.930 1.00 0.00 C ATOM 168 C4' DT C 3 0.212 6.972 -2.702 1.00 0.00 C ATOM 169 O4' DT C 3 1.054 6.147 -1.893 1.00 0.00 O ATOM 170 C3' DT C 3 -1.094 7.099 -1.930 1.00 0.00 C ATOM 171 O3' DT C 3 -2.304 7.038 -2.709 1.00 0.00 O ATOM 172 C2' DT C 3 -1.156 5.813 -1.108 1.00 0.00 C ATOM 173 C1' DT C 3 0.233 5.173 -1.238 1.00 0.00 C ATOM 174 N1 DT C 3 0.796 4.799 0.070 1.00 0.00 N ATOM 175 C2 DT C 3 1.228 3.489 0.226 1.00 0.00 C ATOM 176 O2 DT C 3 1.156 2.642 -0.664 1.00 0.00 O ATOM 177 N3 DT C 3 1.749 3.176 1.453 1.00 0.00 N ATOM 178 C4 DT C 3 1.879 4.037 2.528 1.00 0.00 C ATOM 179 O4 DT C 3 2.361 3.625 3.577 1.00 0.00 O ATOM 180 C5 DT C 3 1.408 5.388 2.288 1.00 0.00 C ATOM 181 C7 DT C 3 1.523 6.416 3.432 1.00 0.00 C ATOM 182 C6 DT C 3 0.888 5.722 1.078 1.00 0.00 C ATOM 0 H5' DT C 3 0.270 8.928 -3.594 1.00 0.00 H new ATOM 0 H5'' DT C 3 0.957 8.858 -1.983 1.00 0.00 H new ATOM 0 H4' DT C 3 0.027 6.553 -3.691 1.00 0.00 H new ATOM 0 H3' DT C 3 -1.071 8.063 -1.422 1.00 0.00 H new ATOM 0 H2' DT C 3 -1.394 6.025 -0.066 1.00 0.00 H new ATOM 0 H2'' DT C 3 -1.932 5.145 -1.483 1.00 0.00 H new ATOM 0 H1' DT C 3 0.177 4.244 -1.806 1.00 0.00 H new ATOM 0 H3 DT C 3 2.072 2.218 1.587 1.00 0.00 H new ATOM 0 H71 DT C 3 1.654 7.414 3.013 1.00 0.00 H new ATOM 0 H72 DT C 3 0.616 6.392 4.035 1.00 0.00 H new ATOM 0 H73 DT C 3 2.381 6.170 4.057 1.00 0.00 H new ATOM 0 H6 DT C 3 0.542 6.731 0.908 1.00 0.00 H new ATOM 195 P DA C 4 -2.564 7.525 -4.227 1.00 0.00 P ATOM 196 OP1 DA C 4 -1.405 7.138 -5.064 1.00 0.00 O ATOM 197 OP2 DA C 4 -3.018 8.933 -4.200 1.00 0.00 O ATOM 198 O5' DA C 4 -3.814 6.590 -4.654 1.00 0.00 O ATOM 199 C5' DA C 4 -5.092 6.620 -4.000 1.00 0.00 C ATOM 200 C4' DA C 4 -5.400 5.308 -3.277 1.00 0.00 C ATOM 201 O4' DA C 4 -4.386 5.071 -2.278 1.00 0.00 O ATOM 202 C3' DA C 4 -6.738 5.373 -2.534 1.00 0.00 C ATOM 203 O3' DA C 4 -7.773 4.550 -3.098 1.00 0.00 O ATOM 204 C2' DA C 4 -6.376 4.926 -1.112 1.00 0.00 C ATOM 205 C1' DA C 4 -4.963 4.327 -1.197 1.00 0.00 C ATOM 206 N9 DA C 4 -4.131 4.532 0.024 1.00 0.00 N ATOM 207 C8 DA C 4 -4.040 5.605 0.884 1.00 0.00 C ATOM 208 N7 DA C 4 -3.205 5.482 1.867 1.00 0.00 N ATOM 209 C5 DA C 4 -2.678 4.212 1.660 1.00 0.00 C ATOM 210 C6 DA C 4 -1.745 3.460 2.379 1.00 0.00 C ATOM 211 N6 DA C 4 -1.140 3.912 3.477 1.00 0.00 N ATOM 212 N1 DA C 4 -1.466 2.233 1.923 1.00 0.00 N ATOM 213 C2 DA C 4 -2.064 1.777 0.834 1.00 0.00 C ATOM 214 N3 DA C 4 -2.961 2.383 0.068 1.00 0.00 N ATOM 215 C4 DA C 4 -3.229 3.623 0.546 1.00 0.00 C ATOM 0 H5' DA C 4 -5.871 6.819 -4.736 1.00 0.00 H new ATOM 0 H5'' DA C 4 -5.113 7.441 -3.284 1.00 0.00 H new ATOM 0 H4' DA C 4 -5.433 4.521 -4.030 1.00 0.00 H new ATOM 0 H3' DA C 4 -7.168 6.373 -2.589 1.00 0.00 H new ATOM 0 H2' DA C 4 -6.401 5.769 -0.421 1.00 0.00 H new ATOM 0 H2'' DA C 4 -7.089 4.190 -0.742 1.00 0.00 H new ATOM 0 H1' DA C 4 -5.005 3.245 -1.321 1.00 0.00 H new ATOM 0 H8 DA C 4 -4.631 6.498 0.746 1.00 0.00 H new ATOM 0 H61 DA C 4 -0.466 3.324 3.967 1.00 0.00 H new ATOM 0 H62 DA C 4 -1.351 4.846 3.828 1.00 0.00 H new ATOM 0 H2 DA C 4 -1.785 0.779 0.529 1.00 0.00 H new ATOM 227 P DT C 5 -9.182 5.233 -3.532 1.00 0.00 P ATOM 228 OP1 DT C 5 -8.945 6.034 -4.754 1.00 0.00 O ATOM 229 OP2 DT C 5 -9.760 5.881 -2.334 1.00 0.00 O ATOM 230 O5' DT C 5 -10.139 3.995 -3.924 1.00 0.00 O ATOM 231 C5' DT C 5 -9.779 3.048 -4.936 1.00 0.00 C ATOM 232 C4' DT C 5 -10.009 1.622 -4.446 1.00 0.00 C ATOM 233 O4' DT C 5 -9.305 1.469 -3.201 1.00 0.00 O ATOM 234 C3' DT C 5 -11.479 1.241 -4.227 1.00 0.00 C ATOM 235 O3' DT C 5 -11.791 0.073 -5.005 1.00 0.00 O ATOM 236 C2' DT C 5 -11.564 1.014 -2.706 1.00 0.00 C ATOM 237 C1' DT C 5 -10.120 0.774 -2.253 1.00 0.00 C ATOM 238 N1 DT C 5 -9.880 1.374 -0.911 1.00 0.00 N ATOM 239 C2 DT C 5 -9.487 0.537 0.122 1.00 0.00 C ATOM 240 O2 DT C 5 -9.340 -0.676 -0.008 1.00 0.00 O ATOM 241 N3 DT C 5 -9.271 1.146 1.336 1.00 0.00 N ATOM 242 C4 DT C 5 -9.408 2.491 1.621 1.00 0.00 C ATOM 243 O4 DT C 5 -9.177 2.887 2.758 1.00 0.00 O ATOM 244 C5 DT C 5 -9.823 3.311 0.501 1.00 0.00 C ATOM 245 C7 DT C 5 -10.000 4.837 0.746 1.00 0.00 C ATOM 246 C6 DT C 5 -10.041 2.729 -0.714 1.00 0.00 C ATOM 0 H5' DT C 5 -8.732 3.180 -5.208 1.00 0.00 H new ATOM 0 H5'' DT C 5 -10.368 3.228 -5.836 1.00 0.00 H new ATOM 0 H4' DT C 5 -9.646 0.959 -5.231 1.00 0.00 H new ATOM 0 H3' DT C 5 -12.202 1.991 -4.547 1.00 0.00 H new ATOM 0 H2' DT C 5 -11.996 1.879 -2.203 1.00 0.00 H new ATOM 0 H2'' DT C 5 -12.198 0.159 -2.470 1.00 0.00 H new ATOM 0 H1' DT C 5 -9.904 -0.293 -2.194 1.00 0.00 H new ATOM 0 H3 DT C 5 -8.980 0.543 2.105 1.00 0.00 H new ATOM 0 H71 DT C 5 -10.299 5.007 1.780 1.00 0.00 H new ATOM 0 H72 DT C 5 -9.057 5.348 0.552 1.00 0.00 H new ATOM 0 H73 DT C 5 -10.768 5.226 0.078 1.00 0.00 H new ATOM 0 H6 DT C 5 -10.348 3.347 -1.545 1.00 0.00 H new ATOM 259 P DC C 6 -13.199 -0.716 -4.904 1.00 0.00 P ATOM 260 OP1 DC C 6 -13.349 -1.567 -6.105 1.00 0.00 O ATOM 261 OP2 DC C 6 -14.264 0.244 -4.535 1.00 0.00 O ATOM 262 O5' DC C 6 -12.887 -1.663 -3.642 1.00 0.00 O ATOM 263 C5' DC C 6 -13.861 -2.106 -2.694 1.00 0.00 C ATOM 264 C4' DC C 6 -13.147 -2.791 -1.534 1.00 0.00 C ATOM 265 O4' DC C 6 -12.182 -1.908 -0.953 1.00 0.00 O ATOM 266 C3' DC C 6 -14.065 -3.199 -0.366 1.00 0.00 C ATOM 267 O3' DC C 6 -14.804 -4.399 -0.601 1.00 0.00 O ATOM 268 C2' DC C 6 -12.974 -3.470 0.649 1.00 0.00 C ATOM 269 C1' DC C 6 -11.958 -2.356 0.391 1.00 0.00 C ATOM 270 N1 DC C 6 -11.935 -1.255 1.396 1.00 0.00 N ATOM 271 C2 DC C 6 -11.293 -1.487 2.612 1.00 0.00 C ATOM 272 O2 DC C 6 -10.760 -2.564 2.874 1.00 0.00 O ATOM 273 N3 DC C 6 -11.263 -0.488 3.525 1.00 0.00 N ATOM 274 C4 DC C 6 -11.834 0.696 3.282 1.00 0.00 C ATOM 275 N4 DC C 6 -11.768 1.640 4.222 1.00 0.00 N ATOM 276 C5 DC C 6 -12.502 0.958 2.043 1.00 0.00 C ATOM 277 C6 DC C 6 -12.525 -0.047 1.129 1.00 0.00 C ATOM 0 H5' DC C 6 -14.560 -2.796 -3.167 1.00 0.00 H new ATOM 0 H5'' DC C 6 -14.445 -1.260 -2.330 1.00 0.00 H new ATOM 0 H4' DC C 6 -12.713 -3.684 -1.983 1.00 0.00 H new ATOM 0 H3' DC C 6 -14.838 -2.470 -0.122 1.00 0.00 H new ATOM 0 H2' DC C 6 -13.357 -3.435 1.669 1.00 0.00 H new ATOM 0 H2'' DC C 6 -12.532 -4.456 0.509 1.00 0.00 H new ATOM 0 HO3' DC C 6 -15.362 -4.598 0.180 1.00 0.00 H new ATOM 0 H1' DC C 6 -10.952 -2.759 0.509 1.00 0.00 H new ATOM 0 H41 DC C 6 -12.196 2.552 4.060 1.00 0.00 H new ATOM 0 H42 DC C 6 -11.290 1.450 5.103 1.00 0.00 H new ATOM 0 H5 DC C 6 -12.967 1.912 1.844 1.00 0.00 H new ATOM 0 H6 DC C 6 -13.015 0.108 0.179 1.00 0.00 H new TER 290 DC C 6 ATOM 291 O5' DG D 1 -6.916 -3.201 14.670 1.00 0.00 O ATOM 292 C5' DG D 1 -7.771 -2.893 13.565 1.00 0.00 C ATOM 293 C4' DG D 1 -7.894 -4.055 12.573 1.00 0.00 C ATOM 294 O4' DG D 1 -8.789 -3.720 11.486 1.00 0.00 O ATOM 295 C3' DG D 1 -6.590 -4.448 11.920 1.00 0.00 C ATOM 296 O3' DG D 1 -6.484 -5.820 11.478 1.00 0.00 O ATOM 297 C2' DG D 1 -6.568 -3.403 10.836 1.00 0.00 C ATOM 298 C1' DG D 1 -8.005 -3.454 10.298 1.00 0.00 C ATOM 299 N9 DG D 1 -8.472 -2.230 9.614 1.00 0.00 N ATOM 300 C8 DG D 1 -8.601 -0.955 10.083 1.00 0.00 C ATOM 301 N7 DG D 1 -9.067 -0.080 9.245 1.00 0.00 N ATOM 302 C5 DG D 1 -9.271 -0.844 8.097 1.00 0.00 C ATOM 303 C6 DG D 1 -9.810 -0.465 6.841 1.00 0.00 C ATOM 304 O6 DG D 1 -10.190 0.640 6.464 1.00 0.00 O ATOM 305 N1 DG D 1 -9.895 -1.539 5.972 1.00 0.00 N ATOM 306 C2 DG D 1 -9.509 -2.832 6.263 1.00 0.00 C ATOM 307 N2 DG D 1 -9.661 -3.734 5.293 1.00 0.00 N ATOM 308 N3 DG D 1 -9.001 -3.194 7.445 1.00 0.00 N ATOM 309 C4 DG D 1 -8.911 -2.154 8.311 1.00 0.00 C ATOM 0 H5' DG D 1 -7.385 -2.016 13.045 1.00 0.00 H new ATOM 0 H5'' DG D 1 -8.761 -2.632 13.938 1.00 0.00 H new ATOM 0 H4' DG D 1 -8.263 -4.882 13.181 1.00 0.00 H new ATOM 0 H3' DG D 1 -5.724 -4.453 12.582 1.00 0.00 H new ATOM 0 H2' DG D 1 -6.316 -2.417 11.227 1.00 0.00 H new ATOM 0 H2'' DG D 1 -5.836 -3.636 10.062 1.00 0.00 H new ATOM 0 HO5' DG D 1 -6.869 -2.429 15.272 1.00 0.00 H new ATOM 0 H1' DG D 1 -8.092 -4.205 9.513 1.00 0.00 H new ATOM 0 H8 DG D 1 -8.331 -0.689 11.094 1.00 0.00 H new ATOM 0 H1 DG D 1 -10.273 -1.361 5.042 1.00 0.00 H new ATOM 0 H21 DG D 1 -9.392 -4.705 5.453 1.00 0.00 H new ATOM 0 H22 DG D 1 -10.046 -3.453 4.391 1.00 0.00 H new ATOM 322 P DA D 2 -7.522 -6.700 10.594 1.00 0.00 P ATOM 323 OP1 DA D 2 -8.890 -6.493 11.117 1.00 0.00 O ATOM 324 OP2 DA D 2 -6.975 -8.073 10.507 1.00 0.00 O ATOM 325 O5' DA D 2 -7.437 -6.026 9.124 1.00 0.00 O ATOM 326 C5' DA D 2 -7.415 -6.822 7.930 1.00 0.00 C ATOM 327 C4' DA D 2 -6.455 -6.268 6.878 1.00 0.00 C ATOM 328 O4' DA D 2 -6.859 -4.988 6.333 1.00 0.00 O ATOM 329 C3' DA D 2 -5.051 -6.086 7.458 1.00 0.00 C ATOM 330 O3' DA D 2 -4.088 -6.987 6.910 1.00 0.00 O ATOM 331 C2' DA D 2 -4.770 -4.604 7.185 1.00 0.00 C ATOM 332 C1' DA D 2 -5.691 -4.197 6.042 1.00 0.00 C ATOM 333 N9 DA D 2 -6.049 -2.750 6.014 1.00 0.00 N ATOM 334 C8 DA D 2 -5.851 -1.756 6.937 1.00 0.00 C ATOM 335 N7 DA D 2 -6.283 -0.576 6.620 1.00 0.00 N ATOM 336 C5 DA D 2 -6.827 -0.789 5.359 1.00 0.00 C ATOM 337 C6 DA D 2 -7.518 0.056 4.484 1.00 0.00 C ATOM 338 N6 DA D 2 -7.716 1.349 4.740 1.00 0.00 N ATOM 339 N1 DA D 2 -7.991 -0.484 3.352 1.00 0.00 N ATOM 340 C2 DA D 2 -7.791 -1.771 3.103 1.00 0.00 C ATOM 341 N3 DA D 2 -7.158 -2.668 3.845 1.00 0.00 N ATOM 342 C4 DA D 2 -6.692 -2.101 4.980 1.00 0.00 C ATOM 0 H5' DA D 2 -8.420 -6.871 7.511 1.00 0.00 H new ATOM 0 H5'' DA D 2 -7.124 -7.842 8.182 1.00 0.00 H new ATOM 0 H4' DA D 2 -6.467 -7.008 6.078 1.00 0.00 H new ATOM 0 H3' DA D 2 -4.983 -6.330 8.518 1.00 0.00 H new ATOM 0 H2' DA D 2 -4.963 -4.002 8.073 1.00 0.00 H new ATOM 0 H2'' DA D 2 -3.725 -4.450 6.916 1.00 0.00 H new ATOM 0 H1' DA D 2 -5.226 -4.358 5.069 1.00 0.00 H new ATOM 0 H8 DA D 2 -5.360 -1.946 7.880 1.00 0.00 H new ATOM 0 H61 DA D 2 -8.226 1.929 4.073 1.00 0.00 H new ATOM 0 H62 DA D 2 -7.358 1.759 5.603 1.00 0.00 H new ATOM 0 H2 DA D 2 -8.198 -2.137 2.172 1.00 0.00 H new ATOM 354 P DT D 3 -2.569 -7.031 7.466 1.00 0.00 P ATOM 355 OP1 DT D 3 -2.025 -8.388 7.230 1.00 0.00 O ATOM 356 OP2 DT D 3 -2.532 -6.447 8.827 1.00 0.00 O ATOM 357 O5' DT D 3 -1.852 -6.008 6.453 1.00 0.00 O ATOM 358 C5' DT D 3 -1.898 -6.354 5.069 1.00 0.00 C ATOM 359 C4' DT D 3 -0.976 -5.544 4.191 1.00 0.00 C ATOM 360 O4' DT D 3 -1.241 -4.141 4.211 1.00 0.00 O ATOM 361 C3' DT D 3 0.480 -5.626 4.602 1.00 0.00 C ATOM 362 O3' DT D 3 1.094 -6.914 4.391 1.00 0.00 O ATOM 363 C2' DT D 3 1.131 -4.431 3.875 1.00 0.00 C ATOM 364 C1' DT D 3 -0.082 -3.477 3.677 1.00 0.00 C ATOM 365 N1 DT D 3 0.035 -2.066 4.090 1.00 0.00 N ATOM 366 C2 DT D 3 -0.432 -1.109 3.190 1.00 0.00 C ATOM 367 O2 DT D 3 -0.913 -1.393 2.094 1.00 0.00 O ATOM 368 N3 DT D 3 -0.332 0.196 3.584 1.00 0.00 N ATOM 369 C4 DT D 3 0.191 0.640 4.785 1.00 0.00 C ATOM 370 O4 DT D 3 0.225 1.845 5.014 1.00 0.00 O ATOM 371 C5 DT D 3 0.658 -0.419 5.673 1.00 0.00 C ATOM 372 C7 DT D 3 1.248 -0.024 7.041 1.00 0.00 C ATOM 373 C6 DT D 3 0.564 -1.725 5.296 1.00 0.00 C ATOM 0 H5' DT D 3 -2.920 -6.232 4.711 1.00 0.00 H new ATOM 0 H5'' DT D 3 -1.646 -7.409 4.963 1.00 0.00 H new ATOM 0 H4' DT D 3 -1.162 -5.986 3.212 1.00 0.00 H new ATOM 0 H3' DT D 3 0.618 -5.548 5.680 1.00 0.00 H new ATOM 0 H2' DT D 3 1.920 -3.971 4.470 1.00 0.00 H new ATOM 0 H2'' DT D 3 1.579 -4.725 2.926 1.00 0.00 H new ATOM 0 H1' DT D 3 -0.156 -3.314 2.602 1.00 0.00 H new ATOM 0 H3 DT D 3 -0.673 0.905 2.935 1.00 0.00 H new ATOM 0 H71 DT D 3 1.059 -0.819 7.762 1.00 0.00 H new ATOM 0 H72 DT D 3 2.323 0.129 6.943 1.00 0.00 H new ATOM 0 H73 DT D 3 0.780 0.898 7.386 1.00 0.00 H new ATOM 0 H6 DT D 3 0.914 -2.499 5.963 1.00 0.00 H new ATOM 386 P DA D 4 0.931 -7.878 3.096 1.00 0.00 P ATOM 387 OP1 DA D 4 -0.484 -7.890 2.664 1.00 0.00 O ATOM 388 OP2 DA D 4 1.612 -9.159 3.395 1.00 0.00 O ATOM 389 O5' DA D 4 1.788 -7.094 1.985 1.00 0.00 O ATOM 390 C5' DA D 4 3.213 -7.131 2.046 1.00 0.00 C ATOM 391 C4' DA D 4 3.854 -6.151 1.076 1.00 0.00 C ATOM 392 O4' DA D 4 3.505 -4.830 1.522 1.00 0.00 O ATOM 393 C3' DA D 4 5.382 -6.244 1.094 1.00 0.00 C ATOM 394 O3' DA D 4 5.965 -6.163 -0.212 1.00 0.00 O ATOM 395 C2' DA D 4 5.739 -5.038 1.930 1.00 0.00 C ATOM 396 C1' DA D 4 4.676 -4.018 1.554 1.00 0.00 C ATOM 397 N9 DA D 4 4.499 -2.902 2.521 1.00 0.00 N ATOM 398 C8 DA D 4 4.927 -2.761 3.819 1.00 0.00 C ATOM 399 N7 DA D 4 4.602 -1.661 4.415 1.00 0.00 N ATOM 400 C5 DA D 4 3.886 -0.990 3.430 1.00 0.00 C ATOM 401 C6 DA D 4 3.319 0.282 3.401 1.00 0.00 C ATOM 402 N6 DA D 4 3.321 1.102 4.451 1.00 0.00 N ATOM 403 N1 DA D 4 2.757 0.673 2.254 1.00 0.00 N ATOM 404 C2 DA D 4 2.750 -0.129 1.202 1.00 0.00 C ATOM 405 N3 DA D 4 3.250 -1.353 1.099 1.00 0.00 N ATOM 406 C4 DA D 4 3.815 -1.730 2.274 1.00 0.00 C ATOM 0 H5' DA D 4 3.559 -8.140 1.822 1.00 0.00 H new ATOM 0 H5'' DA D 4 3.538 -6.901 3.061 1.00 0.00 H new ATOM 0 H4' DA D 4 3.504 -6.375 0.068 1.00 0.00 H new ATOM 0 H3' DA D 4 5.750 -7.195 1.478 1.00 0.00 H new ATOM 0 H2' DA D 4 5.716 -5.267 2.995 1.00 0.00 H new ATOM 0 H2'' DA D 4 6.742 -4.675 1.703 1.00 0.00 H new ATOM 0 H1' DA D 4 4.931 -3.500 0.629 1.00 0.00 H new ATOM 0 H8 DA D 4 5.504 -3.528 4.315 1.00 0.00 H new ATOM 0 H61 DA D 4 2.892 2.025 4.378 1.00 0.00 H new ATOM 0 H62 DA D 4 3.751 0.807 5.327 1.00 0.00 H new ATOM 0 H2 DA D 4 2.277 0.263 0.314 1.00 0.00 H new ATOM 418 P DT D 5 7.353 -6.934 -0.533 1.00 0.00 P ATOM 419 OP1 DT D 5 7.522 -8.020 0.460 1.00 0.00 O ATOM 420 OP2 DT D 5 8.431 -5.940 -0.702 1.00 0.00 O ATOM 421 O5' DT D 5 7.069 -7.628 -1.956 1.00 0.00 O ATOM 422 C5' DT D 5 6.531 -6.991 -3.125 1.00 0.00 C ATOM 423 C4' DT D 5 7.337 -5.810 -3.676 1.00 0.00 C ATOM 424 O4' DT D 5 7.287 -4.630 -2.843 1.00 0.00 O ATOM 425 C3' DT D 5 8.809 -6.118 -3.900 1.00 0.00 C ATOM 426 O3' DT D 5 9.129 -6.358 -5.277 1.00 0.00 O ATOM 427 C2' DT D 5 9.511 -4.813 -3.459 1.00 0.00 C ATOM 428 C1' DT D 5 8.402 -3.783 -3.179 1.00 0.00 C ATOM 429 N1 DT D 5 8.705 -2.816 -2.075 1.00 0.00 N ATOM 430 C2 DT D 5 8.604 -1.459 -2.358 1.00 0.00 C ATOM 431 O2 DT D 5 8.289 -1.019 -3.462 1.00 0.00 O ATOM 432 N3 DT D 5 8.878 -0.600 -1.314 1.00 0.00 N ATOM 433 C4 DT D 5 9.241 -0.952 -0.033 1.00 0.00 C ATOM 434 O4 DT D 5 9.455 -0.064 0.790 1.00 0.00 O ATOM 435 C5 DT D 5 9.330 -2.379 0.200 1.00 0.00 C ATOM 436 C7 DT D 5 9.726 -2.855 1.628 1.00 0.00 C ATOM 437 C6 DT D 5 9.061 -3.249 -0.820 1.00 0.00 C ATOM 0 H5' DT D 5 5.524 -6.642 -2.894 1.00 0.00 H new ATOM 0 H5'' DT D 5 6.436 -7.740 -3.912 1.00 0.00 H new ATOM 0 H4' DT D 5 6.844 -5.620 -4.630 1.00 0.00 H new ATOM 0 H3' DT D 5 9.106 -7.017 -3.360 1.00 0.00 H new ATOM 0 H2' DT D 5 10.116 -4.982 -2.568 1.00 0.00 H new ATOM 0 H2'' DT D 5 10.184 -4.454 -4.238 1.00 0.00 H new ATOM 0 H1' DT D 5 8.242 -3.122 -4.031 1.00 0.00 H new ATOM 0 H3 DT D 5 8.804 0.398 -1.511 1.00 0.00 H new ATOM 0 H71 DT D 5 9.266 -3.822 1.830 1.00 0.00 H new ATOM 0 H72 DT D 5 10.810 -2.948 1.693 1.00 0.00 H new ATOM 0 H73 DT D 5 9.380 -2.128 2.363 1.00 0.00 H new ATOM 0 H6 DT D 5 9.130 -4.311 -0.634 1.00 0.00 H new ATOM 450 P DC D 6 10.240 -7.465 -5.678 1.00 0.00 P ATOM 451 OP1 DC D 6 9.549 -8.764 -5.820 1.00 0.00 O ATOM 452 OP2 DC D 6 11.376 -7.340 -4.735 1.00 0.00 O ATOM 453 O5' DC D 6 10.752 -7.014 -7.148 1.00 0.00 O ATOM 454 C5' DC D 6 11.923 -6.208 -7.369 1.00 0.00 C ATOM 455 C4' DC D 6 11.647 -4.709 -7.236 1.00 0.00 C ATOM 456 O4' DC D 6 11.161 -4.336 -5.944 1.00 0.00 O ATOM 457 C3' DC D 6 12.891 -3.826 -7.450 1.00 0.00 C ATOM 458 O3' DC D 6 13.313 -3.733 -8.813 1.00 0.00 O ATOM 459 C2' DC D 6 12.295 -2.515 -6.980 1.00 0.00 C ATOM 460 C1' DC D 6 11.403 -2.925 -5.803 1.00 0.00 C ATOM 461 N1 DC D 6 11.804 -2.509 -4.426 1.00 0.00 N ATOM 462 C2 DC D 6 11.397 -1.248 -3.995 1.00 0.00 C ATOM 463 O2 DC D 6 10.763 -0.486 -4.724 1.00 0.00 O ATOM 464 N3 DC D 6 11.720 -0.858 -2.740 1.00 0.00 N ATOM 465 C4 DC D 6 12.416 -1.649 -1.921 1.00 0.00 C ATOM 466 N4 DC D 6 12.696 -1.207 -0.695 1.00 0.00 N ATOM 467 C5 DC D 6 12.852 -2.949 -2.335 1.00 0.00 C ATOM 468 C6 DC D 6 12.522 -3.337 -3.597 1.00 0.00 C ATOM 0 H5' DC D 6 12.317 -6.413 -8.365 1.00 0.00 H new ATOM 0 H5'' DC D 6 12.696 -6.495 -6.656 1.00 0.00 H new ATOM 0 H4' DC D 6 10.903 -4.542 -8.014 1.00 0.00 H new ATOM 0 H3' DC D 6 13.791 -4.181 -6.949 1.00 0.00 H new ATOM 0 H2' DC D 6 13.068 -1.811 -6.671 1.00 0.00 H new ATOM 0 H2'' DC D 6 11.720 -2.030 -7.769 1.00 0.00 H new ATOM 0 HO3' DC D 6 14.104 -3.157 -8.872 1.00 0.00 H new ATOM 0 H1' DC D 6 10.486 -2.341 -5.878 1.00 0.00 H new ATOM 0 H41 DC D 6 13.227 -1.793 -0.050 1.00 0.00 H new ATOM 0 H42 DC D 6 12.380 -0.283 -0.401 1.00 0.00 H new ATOM 0 H5 DC D 6 13.417 -3.592 -1.676 1.00 0.00 H new ATOM 0 H6 DC D 6 12.829 -4.310 -3.952 1.00 0.00 H new TER 481 DC D 6 HETATM 482 N1 QUI A 0 -4.622 -0.348 2.305 1.00 0.00 N HETATM 483 C2 QUI A 0 -5.042 0.874 1.925 1.00 0.00 C HETATM 484 C3 QUI A 0 -4.825 1.985 2.752 1.00 0.00 C HETATM 485 N4 QUI A 0 -4.199 1.866 3.933 1.00 0.00 N HETATM 486 C5 QUI A 0 -3.130 0.524 5.534 1.00 0.00 C HETATM 487 C6 QUI A 0 -2.684 -0.726 5.953 1.00 0.00 C HETATM 488 C7 QUI A 0 -2.889 -1.862 5.148 1.00 0.00 C HETATM 489 C8 QUI A 0 -3.547 -1.723 3.913 1.00 0.00 C HETATM 490 C9 QUI A 0 -3.994 -0.468 3.491 1.00 0.00 C HETATM 491 C10 QUI A 0 -3.781 0.644 4.307 1.00 0.00 C HETATM 492 C QUI A 0 -5.729 1.022 0.620 1.00 0.00 C HETATM 493 O1 QUI A 0 -6.678 1.814 0.519 1.00 0.00 O HETATM 0 H8 QUI A 0 -3.709 -2.597 3.283 1.00 0.00 H new HETATM 0 H7 QUI A 0 -2.541 -2.841 5.479 1.00 0.00 H new HETATM 0 H6 QUI A 0 -2.173 -0.826 6.911 1.00 0.00 H new HETATM 0 H5 QUI A 0 -2.972 1.402 6.160 1.00 0.00 H new HETATM 0 H3 QUI A 0 -5.172 2.966 2.429 1.00 0.00 H new HETATM 499 N1 QUI A 9 4.784 1.607 -1.086 1.00 0.00 N HETATM 500 C2 QUI A 9 5.341 0.622 -0.354 1.00 0.00 C HETATM 501 C3 QUI A 9 5.750 0.866 0.965 1.00 0.00 C HETATM 502 N4 QUI A 9 5.602 2.074 1.532 1.00 0.00 N HETATM 503 C5 QUI A 9 4.892 4.305 1.387 1.00 0.00 C HETATM 504 C6 QUI A 9 4.320 5.342 0.654 1.00 0.00 C HETATM 505 C7 QUI A 9 3.900 5.129 -0.673 1.00 0.00 C HETATM 506 C8 QUI A 9 4.062 3.859 -1.251 1.00 0.00 C HETATM 507 C9 QUI A 9 4.636 2.818 -0.518 1.00 0.00 C HETATM 508 C10 QUI A 9 5.045 3.051 0.795 1.00 0.00 C HETATM 509 C QUI A 9 5.519 -0.713 -0.972 1.00 0.00 C HETATM 510 O1 QUI A 9 6.301 -1.523 -0.451 1.00 0.00 O HETATM 0 H8 QUI A 9 3.738 3.685 -2.277 1.00 0.00 H new HETATM 0 H7 QUI A 9 3.454 5.942 -1.246 1.00 0.00 H new HETATM 0 H6 QUI A 9 4.197 6.324 1.110 1.00 0.00 H new HETATM 0 H5 QUI A 9 5.217 4.472 2.414 1.00 0.00 H new HETATM 0 H3 QUI A 9 6.198 0.057 1.543 1.00 0.00 H new