USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=5 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 -30:sc= -1.05 (180deg=-1.28) 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 4.031 3.107 1.694 1.00 0.00 N HETATM 2 CA DSN A 1 3.757 4.038 2.866 1.00 0.00 C HETATM 3 C DSN A 1 2.281 4.307 3.242 1.00 0.00 C HETATM 4 O DSN A 1 1.999 4.689 4.360 1.00 0.00 O HETATM 5 CB DSN A 1 4.505 3.463 4.122 1.00 0.00 C HETATM 6 OG DSN A 1 4.068 2.123 4.268 1.00 0.00 O HETATM 0 HB3 DSN A 1 5.585 3.507 3.984 1.00 0.00 H new HETATM 0 HB2 DSN A 1 4.273 4.047 5.013 1.00 0.00 H new HETATM 0 HA DSN A 1 4.118 5.012 2.536 1.00 0.00 H new ATOM 11 N ALA A 2 1.375 4.121 2.322 1.00 0.00 N ATOM 12 CA ALA A 2 -0.076 4.364 2.640 1.00 0.00 C ATOM 13 C ALA A 2 -0.722 3.057 3.181 1.00 0.00 C ATOM 14 O ALA A 2 -0.177 1.997 2.933 1.00 0.00 O ATOM 15 CB ALA A 2 -0.740 4.849 1.337 1.00 0.00 C ATOM 0 H ALA A 2 1.566 3.814 1.368 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.205 5.117 3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.798 5.040 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.258 5.767 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.635 4.083 0.568 1.00 0.00 H new HETATM 21 N NCY A 3 -1.843 3.187 3.871 1.00 0.00 N HETATM 22 CA NCY A 3 -2.516 1.943 4.444 1.00 0.00 C HETATM 23 CB NCY A 3 -2.353 2.138 5.996 1.00 0.00 C HETATM 24 SG NCY A 3 -2.556 0.766 7.158 1.00 0.00 S HETATM 25 CN NCY A 3 -2.900 4.263 3.742 1.00 0.00 C HETATM 26 C NCY A 3 -4.002 1.645 3.990 1.00 0.00 C HETATM 27 O NCY A 3 -4.942 1.751 4.764 1.00 0.00 O HETATM 0 HCN3 NCY A 3 -3.690 3.918 3.075 1.00 0.00 H new HETATM 0 HCN2 NCY A 3 -3.322 4.478 4.724 1.00 0.00 H new HETATM 0 HCN1 NCY A 3 -2.450 5.168 3.334 1.00 0.00 H new HETATM 0 HB3 NCY A 3 -1.355 2.544 6.159 1.00 0.00 H new HETATM 0 HB2 NCY A 3 -3.063 2.910 6.293 1.00 0.00 H new HETATM 0 HA NCY A 3 -2.042 1.042 4.055 1.00 0.00 H new HETATM 34 N MVA A 4 -4.185 1.285 2.724 1.00 0.00 N HETATM 35 CN MVA A 4 -3.143 0.701 1.797 1.00 0.00 C HETATM 36 CA MVA A 4 -5.589 0.977 2.221 1.00 0.00 C HETATM 37 CB MVA A 4 -6.075 2.148 1.241 1.00 0.00 C HETATM 38 CG1 MVA A 4 -6.479 3.387 2.042 1.00 0.00 C HETATM 39 CG2 MVA A 4 -4.981 2.655 0.302 1.00 0.00 C HETATM 40 C MVA A 4 -5.738 -0.411 1.506 1.00 0.00 C HETATM 41 O MVA A 4 -5.941 -0.546 0.312 1.00 0.00 O HETATM 0 HG23 MVA A 4 -4.150 3.047 0.889 1.00 0.00 H new HETATM 0 HG22 MVA A 4 -4.629 1.834 -0.323 1.00 0.00 H new HETATM 0 HG21 MVA A 4 -5.383 3.446 -0.331 1.00 0.00 H new HETATM 0 HG13 MVA A 4 -7.294 3.133 2.719 1.00 0.00 H new HETATM 0 HG12 MVA A 4 -5.625 3.742 2.619 1.00 0.00 H new HETATM 0 HG11 MVA A 4 -6.806 4.171 1.359 1.00 0.00 H new HETATM 0 HN3 MVA A 4 -3.268 -0.381 1.744 1.00 0.00 H new HETATM 0 HN2 MVA A 4 -3.261 1.129 0.801 1.00 0.00 H new HETATM 0 HN1 MVA A 4 -2.148 0.933 2.176 1.00 0.00 H new HETATM 0 HB MVA A 4 -6.894 1.702 0.676 1.00 0.00 H new HETATM 0 HA MVA A 4 -6.219 0.919 3.108 1.00 0.00 H new HETATM 53 N DSN A 5 -4.595 -2.862 0.193 1.00 0.00 N HETATM 54 CA DSN A 5 -4.769 -3.567 1.526 1.00 0.00 C HETATM 55 C DSN A 5 -3.545 -3.672 2.473 1.00 0.00 C HETATM 56 O DSN A 5 -3.712 -3.813 3.666 1.00 0.00 O HETATM 57 CB DSN A 5 -5.944 -2.851 2.274 1.00 0.00 C HETATM 58 OG DSN A 5 -5.613 -1.472 2.304 1.00 0.00 O HETATM 0 HB3 DSN A 5 -6.890 -3.013 1.758 1.00 0.00 H new HETATM 0 HB2 DSN A 5 -6.060 -3.245 3.283 1.00 0.00 H new HETATM 0 HA DSN A 5 -4.956 -4.610 1.270 1.00 0.00 H new ATOM 63 N ALA A 6 -2.354 -3.616 1.947 1.00 0.00 N ATOM 64 CA ALA A 6 -1.137 -3.716 2.830 1.00 0.00 C ATOM 65 C ALA A 6 -0.722 -2.352 3.445 1.00 0.00 C ATOM 66 O ALA A 6 -1.058 -1.329 2.877 1.00 0.00 O ATOM 67 CB ALA A 6 -0.046 -4.315 1.952 1.00 0.00 C ATOM 0 H ALA A 6 -2.161 -3.506 0.951 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.337 -4.342 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.872 -4.417 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.362 -5.296 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.134 -3.661 1.099 1.00 0.00 H new HETATM 73 N NCY A 7 0.003 -2.415 4.554 1.00 0.00 N HETATM 74 CA NCY A 7 0.446 -1.133 5.253 1.00 0.00 C HETATM 75 CB NCY A 7 -0.369 -1.193 6.593 1.00 0.00 C HETATM 76 SG NCY A 7 -0.650 0.275 7.617 1.00 0.00 S HETATM 77 CN NCY A 7 1.033 -3.459 4.939 1.00 0.00 C HETATM 78 C NCY A 7 1.993 -0.849 5.455 1.00 0.00 C HETATM 79 O NCY A 7 2.509 -0.869 6.562 1.00 0.00 O HETATM 0 HCN3 NCY A 7 2.019 -3.140 4.600 1.00 0.00 H new HETATM 0 HCN2 NCY A 7 1.043 -3.578 6.022 1.00 0.00 H new HETATM 0 HCN1 NCY A 7 0.779 -4.410 4.472 1.00 0.00 H new HETATM 0 HB3 NCY A 7 -1.351 -1.595 6.345 1.00 0.00 H new HETATM 0 HB2 NCY A 7 0.125 -1.928 7.228 1.00 0.00 H new HETATM 0 HA NCY A 7 0.242 -0.275 4.612 1.00 0.00 H new HETATM 86 N MVA A 8 2.712 -0.602 4.367 1.00 0.00 N HETATM 87 CN MVA A 8 2.156 -0.148 3.039 1.00 0.00 C HETATM 88 CA MVA A 8 4.204 -0.311 4.482 1.00 0.00 C HETATM 89 CB MVA A 8 5.045 -1.528 3.875 1.00 0.00 C HETATM 90 CG1 MVA A 8 5.080 -2.718 4.840 1.00 0.00 C HETATM 91 CG2 MVA A 8 4.430 -2.076 2.594 1.00 0.00 C HETATM 92 C MVA A 8 4.638 1.022 3.783 1.00 0.00 C HETATM 93 O MVA A 8 5.426 1.078 2.854 1.00 0.00 O HETATM 0 HG23 MVA A 8 3.421 -2.433 2.799 1.00 0.00 H new HETATM 0 HG22 MVA A 8 4.390 -1.287 1.843 1.00 0.00 H new HETATM 0 HG21 MVA A 8 5.038 -2.900 2.222 1.00 0.00 H new HETATM 0 HG13 MVA A 8 5.542 -2.412 5.778 1.00 0.00 H new HETATM 0 HG12 MVA A 8 4.063 -3.061 5.031 1.00 0.00 H new HETATM 0 HG11 MVA A 8 5.659 -3.528 4.397 1.00 0.00 H new HETATM 0 HN3 MVA A 8 2.305 0.926 2.930 1.00 0.00 H new HETATM 0 HN2 MVA A 8 2.670 -0.669 2.232 1.00 0.00 H new HETATM 0 HN1 MVA A 8 1.090 -0.373 2.995 1.00 0.00 H new HETATM 0 HB MVA A 8 6.038 -1.117 3.691 1.00 0.00 H new HETATM 0 HA MVA A 8 4.411 -0.192 5.545 1.00 0.00 H new TER 105 MVA A 8 ATOM 106 O5' DG C 11 -12.386 1.430 -12.246 1.00 0.00 O ATOM 107 C5' DG C 11 -12.416 0.450 -11.197 1.00 0.00 C ATOM 108 C4' DG C 11 -12.149 1.042 -9.809 1.00 0.00 C ATOM 109 O4' DG C 11 -12.197 -0.001 -8.811 1.00 0.00 O ATOM 110 C3' DG C 11 -10.803 1.758 -9.670 1.00 0.00 C ATOM 111 O3' DG C 11 -10.975 2.982 -8.933 1.00 0.00 O ATOM 112 C2' DG C 11 -10.024 0.736 -8.899 1.00 0.00 C ATOM 113 C1' DG C 11 -11.049 0.139 -7.967 1.00 0.00 C ATOM 114 N9 DG C 11 -10.629 -1.174 -7.458 1.00 0.00 N ATOM 115 C8 DG C 11 -10.195 -2.281 -8.120 1.00 0.00 C ATOM 116 N7 DG C 11 -9.890 -3.311 -7.386 1.00 0.00 N ATOM 117 C5 DG C 11 -10.150 -2.831 -6.098 1.00 0.00 C ATOM 118 C6 DG C 11 -10.009 -3.459 -4.829 1.00 0.00 C ATOM 119 O6 DG C 11 -9.620 -4.590 -4.551 1.00 0.00 O ATOM 120 N1 DG C 11 -10.368 -2.611 -3.811 1.00 0.00 N ATOM 121 C2 DG C 11 -10.805 -1.327 -3.971 1.00 0.00 C ATOM 122 N2 DG C 11 -11.101 -0.650 -2.890 1.00 0.00 N ATOM 123 N3 DG C 11 -10.944 -0.721 -5.132 1.00 0.00 N ATOM 124 C4 DG C 11 -10.599 -1.532 -6.149 1.00 0.00 C ATOM 0 H5' DG C 11 -11.672 -0.319 -11.406 1.00 0.00 H new ATOM 0 H5'' DG C 11 -13.390 -0.040 -11.195 1.00 0.00 H new ATOM 0 H4' DG C 11 -12.931 1.788 -9.665 1.00 0.00 H new ATOM 0 H3' DG C 11 -10.325 2.056 -10.603 1.00 0.00 H new ATOM 0 H2' DG C 11 -9.592 -0.019 -9.556 1.00 0.00 H new ATOM 0 H2'' DG C 11 -9.199 1.191 -8.350 1.00 0.00 H new ATOM 0 HO5' DG C 11 -12.561 0.994 -13.106 1.00 0.00 H new ATOM 0 H1' DG C 11 -11.217 0.752 -7.081 1.00 0.00 H new ATOM 0 H8 DG C 11 -10.108 -2.303 -9.196 1.00 0.00 H new ATOM 0 H1 DG C 11 -10.303 -2.969 -2.858 1.00 0.00 H new ATOM 0 H21 DG C 11 -11.431 0.312 -2.965 1.00 0.00 H new ATOM 0 H22 DG C 11 -11.002 -1.085 -1.973 1.00 0.00 H new ATOM 137 P DA C 12 -9.808 4.060 -8.617 1.00 0.00 P ATOM 138 OP1 DA C 12 -10.358 5.413 -8.859 1.00 0.00 O ATOM 139 OP2 DA C 12 -8.569 3.640 -9.314 1.00 0.00 O ATOM 140 O5' DA C 12 -9.568 3.883 -7.024 1.00 0.00 O ATOM 141 C5' DA C 12 -10.566 4.255 -6.046 1.00 0.00 C ATOM 142 C4' DA C 12 -10.157 3.968 -4.593 1.00 0.00 C ATOM 143 O4' DA C 12 -9.955 2.561 -4.349 1.00 0.00 O ATOM 144 C3' DA C 12 -8.873 4.694 -4.165 1.00 0.00 C ATOM 145 O3' DA C 12 -8.939 5.115 -2.790 1.00 0.00 O ATOM 146 C2' DA C 12 -7.869 3.589 -4.384 1.00 0.00 C ATOM 147 C1' DA C 12 -8.607 2.347 -3.906 1.00 0.00 C ATOM 148 N9 DA C 12 -8.126 1.092 -4.514 1.00 0.00 N ATOM 149 C8 DA C 12 -7.877 0.809 -5.822 1.00 0.00 C ATOM 150 N7 DA C 12 -7.479 -0.400 -6.086 1.00 0.00 N ATOM 151 C5 DA C 12 -7.463 -0.983 -4.816 1.00 0.00 C ATOM 152 C6 DA C 12 -7.196 -2.288 -4.371 1.00 0.00 C ATOM 153 N6 DA C 12 -6.818 -3.272 -5.173 1.00 0.00 N ATOM 154 N1 DA C 12 -7.338 -2.548 -3.064 1.00 0.00 N ATOM 155 C2 DA C 12 -7.725 -1.573 -2.246 1.00 0.00 C ATOM 156 N3 DA C 12 -8.007 -0.312 -2.537 1.00 0.00 N ATOM 157 C4 DA C 12 -7.853 -0.081 -3.859 1.00 0.00 C ATOM 0 H5' DA C 12 -11.490 3.720 -6.264 1.00 0.00 H new ATOM 0 H5'' DA C 12 -10.781 5.319 -6.148 1.00 0.00 H new ATOM 0 H4' DA C 12 -10.995 4.341 -4.005 1.00 0.00 H new ATOM 0 H3' DA C 12 -8.654 5.617 -4.702 1.00 0.00 H new ATOM 0 H2' DA C 12 -7.582 3.508 -5.432 1.00 0.00 H new ATOM 0 H2'' DA C 12 -6.955 3.758 -3.815 1.00 0.00 H new ATOM 0 H1' DA C 12 -8.474 2.228 -2.831 1.00 0.00 H new ATOM 0 H8 DA C 12 -8.003 1.549 -6.598 1.00 0.00 H new ATOM 0 H61 DA C 12 -6.638 -4.201 -4.791 1.00 0.00 H new ATOM 0 H62 DA C 12 -6.707 -3.101 -6.172 1.00 0.00 H new ATOM 0 H2 DA C 12 -7.822 -1.846 -1.206 1.00 0.00 H new ATOM 169 P DC C 13 -8.123 6.386 -2.215 1.00 0.00 P ATOM 170 OP1 DC C 13 -8.643 6.698 -0.865 1.00 0.00 O ATOM 171 OP2 DC C 13 -8.110 7.438 -3.258 1.00 0.00 O ATOM 172 O5' DC C 13 -6.621 5.819 -2.044 1.00 0.00 O ATOM 173 C5' DC C 13 -5.450 6.654 -2.042 1.00 0.00 C ATOM 174 C4' DC C 13 -4.263 5.945 -1.397 1.00 0.00 C ATOM 175 O4' DC C 13 -3.940 4.744 -2.115 1.00 0.00 O ATOM 176 C3' DC C 13 -2.982 6.781 -1.431 1.00 0.00 C ATOM 177 O3' DC C 13 -2.682 7.444 -0.194 1.00 0.00 O ATOM 178 C2' DC C 13 -1.931 5.732 -1.683 1.00 0.00 C ATOM 179 C1' DC C 13 -2.647 4.389 -1.625 1.00 0.00 C ATOM 180 N1 DC C 13 -2.047 3.435 -2.582 1.00 0.00 N ATOM 181 C2 DC C 13 -1.576 2.215 -2.124 1.00 0.00 C ATOM 182 O2 DC C 13 -1.620 1.890 -0.943 1.00 0.00 O ATOM 183 N3 DC C 13 -1.044 1.352 -3.019 1.00 0.00 N ATOM 184 C4 DC C 13 -0.977 1.671 -4.308 1.00 0.00 C ATOM 185 N4 DC C 13 -0.458 0.782 -5.130 1.00 0.00 N ATOM 186 C5 DC C 13 -1.452 2.917 -4.807 1.00 0.00 C ATOM 187 C6 DC C 13 -1.979 3.766 -3.906 1.00 0.00 C ATOM 0 H5' DC C 13 -5.661 7.578 -1.503 1.00 0.00 H new ATOM 0 H5'' DC C 13 -5.198 6.932 -3.065 1.00 0.00 H new ATOM 0 H4' DC C 13 -4.572 5.755 -0.369 1.00 0.00 H new ATOM 0 H3' DC C 13 -3.053 7.582 -2.167 1.00 0.00 H new ATOM 0 H2' DC C 13 -1.459 5.880 -2.654 1.00 0.00 H new ATOM 0 H2'' DC C 13 -1.141 5.785 -0.934 1.00 0.00 H new ATOM 0 H1' DC C 13 -2.618 3.924 -0.640 1.00 0.00 H new ATOM 0 H41 DC C 13 -0.389 0.988 -6.127 1.00 0.00 H new ATOM 0 H42 DC C 13 -0.126 -0.113 -4.770 1.00 0.00 H new ATOM 0 H5 DC C 13 -1.392 3.168 -5.856 1.00 0.00 H new ATOM 0 H6 DC C 13 -2.354 4.724 -4.234 1.00 0.00 H new ATOM 199 P DG C 14 -2.397 9.030 -0.102 1.00 0.00 P ATOM 200 OP1 DG C 14 -1.923 9.323 1.271 1.00 0.00 O ATOM 201 OP2 DG C 14 -3.591 9.733 -0.625 1.00 0.00 O ATOM 202 O5' DG C 14 -1.169 9.284 -1.135 1.00 0.00 O ATOM 203 C5' DG C 14 0.233 9.370 -0.800 1.00 0.00 C ATOM 204 C4' DG C 14 0.812 8.121 -0.121 1.00 0.00 C ATOM 205 O4' DG C 14 0.642 6.951 -0.948 1.00 0.00 O ATOM 206 C3' DG C 14 2.333 8.275 0.109 1.00 0.00 C ATOM 207 O3' DG C 14 2.747 8.218 1.490 1.00 0.00 O ATOM 208 C2' DG C 14 2.876 7.085 -0.645 1.00 0.00 C ATOM 209 C1' DG C 14 1.740 6.086 -0.667 1.00 0.00 C ATOM 210 N9 DG C 14 1.873 5.078 -1.733 1.00 0.00 N ATOM 211 C8 DG C 14 2.082 5.273 -3.065 1.00 0.00 C ATOM 212 N7 DG C 14 2.172 4.206 -3.795 1.00 0.00 N ATOM 213 C5 DG C 14 2.004 3.191 -2.850 1.00 0.00 C ATOM 214 C6 DG C 14 2.010 1.785 -3.021 1.00 0.00 C ATOM 215 O6 DG C 14 2.157 1.139 -4.049 1.00 0.00 O ATOM 216 N1 DG C 14 1.818 1.122 -1.836 1.00 0.00 N ATOM 217 C2 DG C 14 1.637 1.724 -0.622 1.00 0.00 C ATOM 218 N2 DG C 14 1.437 0.940 0.413 1.00 0.00 N ATOM 219 N3 DG C 14 1.630 3.041 -0.432 1.00 0.00 N ATOM 220 C4 DG C 14 1.820 3.715 -1.593 1.00 0.00 C ATOM 0 H5' DG C 14 0.383 10.226 -0.142 1.00 0.00 H new ATOM 0 H5'' DG C 14 0.798 9.566 -1.711 1.00 0.00 H new ATOM 0 H4' DG C 14 0.279 8.009 0.823 1.00 0.00 H new ATOM 0 H3' DG C 14 2.689 9.253 -0.217 1.00 0.00 H new ATOM 0 H2' DG C 14 3.178 7.362 -1.655 1.00 0.00 H new ATOM 0 H2'' DG C 14 3.756 6.672 -0.151 1.00 0.00 H new ATOM 0 H1' DG C 14 1.668 5.498 0.248 1.00 0.00 H new ATOM 0 H8 DG C 14 2.168 6.262 -3.489 1.00 0.00 H new ATOM 0 H1 DG C 14 1.810 0.102 -1.862 1.00 0.00 H new ATOM 0 H21 DG C 14 1.297 1.344 1.339 1.00 0.00 H new ATOM 0 H22 DG C 14 1.422 -0.072 0.290 1.00 0.00 H new ATOM 232 P DT C 15 3.684 9.370 2.148 1.00 0.00 P ATOM 233 OP1 DT C 15 2.809 10.320 2.871 1.00 0.00 O ATOM 234 OP2 DT C 15 4.593 9.877 1.094 1.00 0.00 O ATOM 235 O5' DT C 15 4.613 8.603 3.229 1.00 0.00 O ATOM 236 C5' DT C 15 4.127 7.980 4.434 1.00 0.00 C ATOM 237 C4' DT C 15 5.184 7.080 5.087 1.00 0.00 C ATOM 238 O4' DT C 15 5.596 6.069 4.148 1.00 0.00 O ATOM 239 C3' DT C 15 6.456 7.782 5.580 1.00 0.00 C ATOM 240 O3' DT C 15 7.038 7.072 6.685 1.00 0.00 O ATOM 241 C2' DT C 15 7.309 7.641 4.360 1.00 0.00 C ATOM 242 C1' DT C 15 6.984 6.238 3.853 1.00 0.00 C ATOM 243 N1 DT C 15 7.171 6.076 2.393 1.00 0.00 N ATOM 244 C2 DT C 15 7.815 4.944 1.941 1.00 0.00 C ATOM 245 O2 DT C 15 8.235 4.058 2.678 1.00 0.00 O ATOM 246 N3 DT C 15 7.973 4.834 0.592 1.00 0.00 N ATOM 247 C4 DT C 15 7.559 5.727 -0.357 1.00 0.00 C ATOM 248 O4 DT C 15 7.772 5.486 -1.542 1.00 0.00 O ATOM 249 C5 DT C 15 6.891 6.892 0.181 1.00 0.00 C ATOM 250 C7 DT C 15 6.380 7.993 -0.759 1.00 0.00 C ATOM 251 C6 DT C 15 6.721 7.025 1.512 1.00 0.00 C ATOM 0 H5' DT C 15 3.241 7.389 4.203 1.00 0.00 H new ATOM 0 H5'' DT C 15 3.821 8.751 5.142 1.00 0.00 H new ATOM 0 H4' DT C 15 4.686 6.680 5.970 1.00 0.00 H new ATOM 0 H3' DT C 15 6.313 8.801 5.939 1.00 0.00 H new ATOM 0 H2' DT C 15 7.072 8.401 3.615 1.00 0.00 H new ATOM 0 H2'' DT C 15 8.368 7.746 4.597 1.00 0.00 H new ATOM 0 H1' DT C 15 7.648 5.512 4.323 1.00 0.00 H new ATOM 0 H3 DT C 15 8.450 3.998 0.255 1.00 0.00 H new ATOM 0 H71 DT C 15 7.014 8.038 -1.645 1.00 0.00 H new ATOM 0 H72 DT C 15 5.355 7.771 -1.057 1.00 0.00 H new ATOM 0 H73 DT C 15 6.408 8.953 -0.244 1.00 0.00 H new ATOM 0 H6 DT C 15 6.218 7.901 1.894 1.00 0.00 H new ATOM 264 P DC C 16 8.263 7.599 7.599 1.00 0.00 P ATOM 265 OP1 DC C 16 7.720 8.173 8.851 1.00 0.00 O ATOM 266 OP2 DC C 16 9.179 8.396 6.749 1.00 0.00 O ATOM 267 O5' DC C 16 9.003 6.201 7.943 1.00 0.00 O ATOM 268 C5' DC C 16 8.287 5.109 8.551 1.00 0.00 C ATOM 269 C4' DC C 16 8.897 3.724 8.288 1.00 0.00 C ATOM 270 O4' DC C 16 8.958 3.468 6.866 1.00 0.00 O ATOM 271 C3' DC C 16 10.320 3.521 8.836 1.00 0.00 C ATOM 272 O3' DC C 16 10.550 2.130 9.101 1.00 0.00 O ATOM 273 C2' DC C 16 11.107 3.930 7.621 1.00 0.00 C ATOM 274 C1' DC C 16 10.331 3.273 6.484 1.00 0.00 C ATOM 275 N1 DC C 16 10.565 3.924 5.172 1.00 0.00 N ATOM 276 C2 DC C 16 11.067 3.169 4.117 1.00 0.00 C ATOM 277 O2 DC C 16 11.332 1.975 4.228 1.00 0.00 O ATOM 278 N3 DC C 16 11.268 3.778 2.923 1.00 0.00 N ATOM 279 C4 DC C 16 10.992 5.069 2.762 1.00 0.00 C ATOM 280 N4 DC C 16 11.205 5.605 1.570 1.00 0.00 N ATOM 281 C5 DC C 16 10.478 5.866 3.830 1.00 0.00 C ATOM 282 C6 DC C 16 10.281 5.251 5.012 1.00 0.00 C ATOM 0 H5' DC C 16 7.260 5.116 8.185 1.00 0.00 H new ATOM 0 H5'' DC C 16 8.243 5.274 9.627 1.00 0.00 H new ATOM 0 H4' DC C 16 8.236 3.037 8.816 1.00 0.00 H new ATOM 0 H3' DC C 16 10.548 4.054 9.759 1.00 0.00 H new ATOM 0 H2' DC C 16 11.148 5.014 7.511 1.00 0.00 H new ATOM 0 H2'' DC C 16 12.137 3.575 7.667 1.00 0.00 H new ATOM 0 HO3' DC C 16 11.459 2.009 9.448 1.00 0.00 H new ATOM 0 H1' DC C 16 10.629 2.233 6.353 1.00 0.00 H new ATOM 0 H41 DC C 16 11.004 6.592 1.412 1.00 0.00 H new ATOM 0 H42 DC C 16 11.570 5.030 0.810 1.00 0.00 H new ATOM 0 H5 DC C 16 10.257 6.915 3.696 1.00 0.00 H new ATOM 0 H6 DC C 16 9.892 5.816 5.847 1.00 0.00 H new TER 295 DC C 16 ATOM 296 O5' DG D 17 15.217 -3.366 -6.339 1.00 0.00 O ATOM 297 C5' DG D 17 14.856 -2.019 -6.004 1.00 0.00 C ATOM 298 C4' DG D 17 14.342 -1.921 -4.567 1.00 0.00 C ATOM 299 O4' DG D 17 13.962 -0.588 -4.189 1.00 0.00 O ATOM 300 C3' DG D 17 13.082 -2.765 -4.342 1.00 0.00 C ATOM 301 O3' DG D 17 13.414 -4.090 -3.900 1.00 0.00 O ATOM 302 C2' DG D 17 12.318 -1.934 -3.317 1.00 0.00 C ATOM 303 C1' DG D 17 13.237 -0.778 -2.965 1.00 0.00 C ATOM 304 N9 DG D 17 12.500 0.452 -2.625 1.00 0.00 N ATOM 305 C8 DG D 17 12.045 1.443 -3.443 1.00 0.00 C ATOM 306 N7 DG D 17 11.431 2.432 -2.865 1.00 0.00 N ATOM 307 C5 DG D 17 11.484 2.058 -1.520 1.00 0.00 C ATOM 308 C6 DG D 17 10.979 2.717 -0.365 1.00 0.00 C ATOM 309 O6 DG D 17 10.384 3.785 -0.267 1.00 0.00 O ATOM 310 N1 DG D 17 11.233 2.003 0.775 1.00 0.00 N ATOM 311 C2 DG D 17 11.887 0.809 0.821 1.00 0.00 C ATOM 312 N2 DG D 17 12.038 0.269 2.007 1.00 0.00 N ATOM 313 N3 DG D 17 12.372 0.170 -0.234 1.00 0.00 N ATOM 314 C4 DG D 17 12.132 0.854 -1.373 1.00 0.00 C ATOM 0 H5' DG D 17 14.088 -1.665 -6.692 1.00 0.00 H new ATOM 0 H5'' DG D 17 15.721 -1.367 -6.128 1.00 0.00 H new ATOM 0 H4' DG D 17 15.185 -2.273 -3.972 1.00 0.00 H new ATOM 0 H3' DG D 17 12.489 -2.950 -5.237 1.00 0.00 H new ATOM 0 H2' DG D 17 11.375 -1.574 -3.728 1.00 0.00 H new ATOM 0 H2'' DG D 17 12.076 -2.526 -2.434 1.00 0.00 H new ATOM 0 HO5' DG D 17 15.540 -3.398 -7.264 1.00 0.00 H new ATOM 0 H1' DG D 17 13.852 -0.989 -2.090 1.00 0.00 H new ATOM 0 H8 DG D 17 12.187 1.408 -4.513 1.00 0.00 H new ATOM 0 H1 DG D 17 10.907 2.395 1.658 1.00 0.00 H new ATOM 0 H21 DG D 17 12.520 -0.625 2.103 1.00 0.00 H new ATOM 0 H22 DG D 17 11.673 0.743 2.833 1.00 0.00 H new ATOM 327 P DA D 18 12.305 -5.228 -3.608 1.00 0.00 P ATOM 328 OP1 DA D 18 12.999 -6.534 -3.551 1.00 0.00 O ATOM 329 OP2 DA D 18 11.177 -5.037 -4.549 1.00 0.00 O ATOM 330 O5' DA D 18 11.813 -4.845 -2.125 1.00 0.00 O ATOM 331 C5' DA D 18 10.529 -5.202 -1.591 1.00 0.00 C ATOM 332 C4' DA D 18 10.344 -4.664 -0.167 1.00 0.00 C ATOM 333 O4' DA D 18 10.455 -3.225 -0.115 1.00 0.00 O ATOM 334 C3' DA D 18 8.969 -5.009 0.404 1.00 0.00 C ATOM 335 O3' DA D 18 9.032 -5.070 1.836 1.00 0.00 O ATOM 336 C2' DA D 18 8.194 -3.794 -0.048 1.00 0.00 C ATOM 337 C1' DA D 18 9.173 -2.659 0.200 1.00 0.00 C ATOM 338 N9 DA D 18 8.956 -1.505 -0.687 1.00 0.00 N ATOM 339 C8 DA D 18 9.100 -1.420 -2.037 1.00 0.00 C ATOM 340 N7 DA D 18 8.853 -0.260 -2.572 1.00 0.00 N ATOM 341 C5 DA D 18 8.508 0.502 -1.453 1.00 0.00 C ATOM 342 C6 DA D 18 8.138 1.843 -1.297 1.00 0.00 C ATOM 343 N6 DA D 18 8.042 2.699 -2.303 1.00 0.00 N ATOM 344 N1 DA D 18 7.877 2.278 -0.061 1.00 0.00 N ATOM 345 C2 DA D 18 7.975 1.439 0.963 1.00 0.00 C ATOM 346 N3 DA D 18 8.312 0.159 0.953 1.00 0.00 N ATOM 347 C4 DA D 18 8.569 -0.250 -0.308 1.00 0.00 C ATOM 0 H5' DA D 18 10.424 -6.287 -1.588 1.00 0.00 H new ATOM 0 H5'' DA D 18 9.743 -4.807 -2.235 1.00 0.00 H new ATOM 0 H4' DA D 18 11.134 -5.136 0.417 1.00 0.00 H new ATOM 0 H3' DA D 18 8.552 -5.966 0.089 1.00 0.00 H new ATOM 0 H2' DA D 18 7.912 -3.862 -1.099 1.00 0.00 H new ATOM 0 H2'' DA D 18 7.274 -3.666 0.522 1.00 0.00 H new ATOM 0 H1' DA D 18 9.069 -2.289 1.220 1.00 0.00 H new ATOM 0 H8 DA D 18 9.403 -2.269 -2.632 1.00 0.00 H new ATOM 0 H61 DA D 18 7.767 3.665 -2.126 1.00 0.00 H new ATOM 0 H62 DA D 18 8.243 2.392 -3.255 1.00 0.00 H new ATOM 0 H2 DA D 18 7.750 1.856 1.933 1.00 0.00 H new ATOM 359 P DC D 19 8.112 -6.038 2.738 1.00 0.00 P ATOM 360 OP1 DC D 19 8.328 -5.665 4.156 1.00 0.00 O ATOM 361 OP2 DC D 19 8.348 -7.435 2.307 1.00 0.00 O ATOM 362 O5' DC D 19 6.599 -5.618 2.339 1.00 0.00 O ATOM 363 C5' DC D 19 5.694 -6.490 1.634 1.00 0.00 C ATOM 364 C4' DC D 19 4.308 -5.873 1.451 1.00 0.00 C ATOM 365 O4' DC D 19 4.315 -4.753 0.545 1.00 0.00 O ATOM 366 C3' DC D 19 3.318 -6.837 0.799 1.00 0.00 C ATOM 367 O3' DC D 19 2.663 -7.739 1.706 1.00 0.00 O ATOM 368 C2' DC D 19 2.307 -5.863 0.248 1.00 0.00 C ATOM 369 C1' DC D 19 2.924 -4.462 0.371 1.00 0.00 C ATOM 370 N1 DC D 19 2.696 -3.671 -0.864 1.00 0.00 N ATOM 371 C2 DC D 19 2.125 -2.407 -0.766 1.00 0.00 C ATOM 372 O2 DC D 19 1.805 -1.908 0.306 1.00 0.00 O ATOM 373 N3 DC D 19 1.917 -1.699 -1.902 1.00 0.00 N ATOM 374 C4 DC D 19 2.254 -2.204 -3.082 1.00 0.00 C ATOM 375 N4 DC D 19 2.031 -1.462 -4.145 1.00 0.00 N ATOM 376 C5 DC D 19 2.842 -3.495 -3.217 1.00 0.00 C ATOM 377 C6 DC D 19 3.044 -4.190 -2.082 1.00 0.00 C ATOM 0 H5' DC D 19 5.601 -7.429 2.180 1.00 0.00 H new ATOM 0 H5'' DC D 19 6.113 -6.730 0.657 1.00 0.00 H new ATOM 0 H4' DC D 19 4.022 -5.594 2.465 1.00 0.00 H new ATOM 0 H3' DC D 19 3.808 -7.503 0.089 1.00 0.00 H new ATOM 0 H2' DC D 19 2.076 -6.093 -0.792 1.00 0.00 H new ATOM 0 H2'' DC D 19 1.371 -5.923 0.803 1.00 0.00 H new ATOM 0 H1' DC D 19 2.499 -3.867 1.179 1.00 0.00 H new ATOM 0 H41 DC D 19 2.275 -1.812 -5.072 1.00 0.00 H new ATOM 0 H42 DC D 19 1.614 -0.537 -4.043 1.00 0.00 H new ATOM 0 H5 DC D 19 3.112 -3.896 -4.183 1.00 0.00 H new ATOM 0 H6 DC D 19 3.488 -5.173 -2.133 1.00 0.00 H new ATOM 389 P DG D 20 2.310 -9.267 1.297 1.00 0.00 P ATOM 390 OP1 DG D 20 1.506 -9.857 2.392 1.00 0.00 O ATOM 391 OP2 DG D 20 3.568 -9.929 0.881 1.00 0.00 O ATOM 392 O5' DG D 20 1.363 -9.139 -0.017 1.00 0.00 O ATOM 393 C5' DG D 20 -0.079 -9.209 -0.033 1.00 0.00 C ATOM 394 C4' DG D 20 -0.779 -7.953 0.505 1.00 0.00 C ATOM 395 O4' DG D 20 -0.427 -6.780 -0.258 1.00 0.00 O ATOM 396 C3' DG D 20 -2.321 -8.073 0.435 1.00 0.00 C ATOM 397 O3' DG D 20 -2.997 -7.563 1.596 1.00 0.00 O ATOM 398 C2' DG D 20 -2.620 -7.188 -0.745 1.00 0.00 C ATOM 399 C1' DG D 20 -1.625 -6.065 -0.568 1.00 0.00 C ATOM 400 N9 DG D 20 -1.388 -5.261 -1.773 1.00 0.00 N ATOM 401 C8 DG D 20 -1.177 -5.677 -3.050 1.00 0.00 C ATOM 402 N7 DG D 20 -0.985 -4.746 -3.932 1.00 0.00 N ATOM 403 C5 DG D 20 -1.079 -3.588 -3.158 1.00 0.00 C ATOM 404 C6 DG D 20 -1.019 -2.228 -3.550 1.00 0.00 C ATOM 405 O6 DG D 20 -0.808 -1.757 -4.659 1.00 0.00 O ATOM 406 N1 DG D 20 -1.226 -1.378 -2.493 1.00 0.00 N ATOM 407 C2 DG D 20 -1.462 -1.771 -1.203 1.00 0.00 C ATOM 408 N2 DG D 20 -1.624 -0.829 -0.299 1.00 0.00 N ATOM 409 N3 DG D 20 -1.525 -3.039 -0.811 1.00 0.00 N ATOM 410 C4 DG D 20 -1.324 -3.895 -1.841 1.00 0.00 C ATOM 0 H5' DG D 20 -0.396 -10.068 0.558 1.00 0.00 H new ATOM 0 H5'' DG D 20 -0.411 -9.386 -1.056 1.00 0.00 H new ATOM 0 H4' DG D 20 -0.448 -7.860 1.539 1.00 0.00 H new ATOM 0 H3' DG D 20 -2.653 -9.109 0.365 1.00 0.00 H new ATOM 0 H2' DG D 20 -2.479 -7.711 -1.691 1.00 0.00 H new ATOM 0 H2'' DG D 20 -3.648 -6.826 -0.731 1.00 0.00 H new ATOM 0 H1' DG D 20 -1.976 -5.349 0.175 1.00 0.00 H new ATOM 0 H8 DG D 20 -1.170 -6.724 -3.315 1.00 0.00 H new ATOM 0 H1 DG D 20 -1.202 -0.376 -2.683 1.00 0.00 H new ATOM 0 H21 DG D 20 -1.802 -1.080 0.673 1.00 0.00 H new ATOM 0 H22 DG D 20 -1.572 0.153 -0.571 1.00 0.00 H new ATOM 422 P DT D 21 -2.801 -8.201 3.069 1.00 0.00 P ATOM 423 OP1 DT D 21 -1.612 -7.577 3.692 1.00 0.00 O ATOM 424 OP2 DT D 21 -2.862 -9.679 2.938 1.00 0.00 O ATOM 425 O5' DT D 21 -4.113 -7.708 3.881 1.00 0.00 O ATOM 426 C5' DT D 21 -5.427 -8.273 3.713 1.00 0.00 C ATOM 427 C4' DT D 21 -6.477 -7.220 3.346 1.00 0.00 C ATOM 428 O4' DT D 21 -6.182 -6.589 2.081 1.00 0.00 O ATOM 429 C3' DT D 21 -7.888 -7.824 3.237 1.00 0.00 C ATOM 430 O3' DT D 21 -8.824 -7.217 4.144 1.00 0.00 O ATOM 431 C2' DT D 21 -8.225 -7.539 1.796 1.00 0.00 C ATOM 432 C1' DT D 21 -7.425 -6.302 1.442 1.00 0.00 C ATOM 433 N1 DT D 21 -7.183 -6.200 -0.011 1.00 0.00 N ATOM 434 C2 DT D 21 -7.634 -5.090 -0.694 1.00 0.00 C ATOM 435 O2 DT D 21 -8.237 -4.161 -0.168 1.00 0.00 O ATOM 436 N3 DT D 21 -7.373 -5.063 -2.037 1.00 0.00 N ATOM 437 C4 DT D 21 -6.714 -6.025 -2.758 1.00 0.00 C ATOM 438 O4 DT D 21 -6.553 -5.861 -3.963 1.00 0.00 O ATOM 439 C5 DT D 21 -6.271 -7.161 -1.976 1.00 0.00 C ATOM 440 C7 DT D 21 -5.523 -8.328 -2.644 1.00 0.00 C ATOM 441 C6 DT D 21 -6.516 -7.205 -0.654 1.00 0.00 C ATOM 0 H5' DT D 21 -5.725 -8.772 4.635 1.00 0.00 H new ATOM 0 H5'' DT D 21 -5.394 -9.035 2.934 1.00 0.00 H new ATOM 0 H4' DT D 21 -6.446 -6.487 4.152 1.00 0.00 H new ATOM 0 H3' DT D 21 -7.933 -8.880 3.505 1.00 0.00 H new ATOM 0 H2' DT D 21 -7.957 -8.379 1.155 1.00 0.00 H new ATOM 0 H2'' DT D 21 -9.294 -7.368 1.667 1.00 0.00 H new ATOM 0 H1' DT D 21 -7.920 -5.377 1.737 1.00 0.00 H new ATOM 0 H3 DT D 21 -7.701 -4.246 -2.553 1.00 0.00 H new ATOM 0 H71 DT D 21 -4.838 -8.780 -1.926 1.00 0.00 H new ATOM 0 H72 DT D 21 -6.241 -9.076 -2.980 1.00 0.00 H new ATOM 0 H73 DT D 21 -4.959 -7.956 -3.499 1.00 0.00 H new ATOM 0 H6 DT D 21 -6.176 -8.058 -0.085 1.00 0.00 H new ATOM 454 P DC D 22 -10.345 -7.746 4.327 1.00 0.00 P ATOM 455 OP1 DC D 22 -10.621 -7.878 5.775 1.00 0.00 O ATOM 456 OP2 DC D 22 -10.563 -8.900 3.424 1.00 0.00 O ATOM 457 O5' DC D 22 -11.212 -6.508 3.744 1.00 0.00 O ATOM 458 C5' DC D 22 -11.597 -5.366 4.538 1.00 0.00 C ATOM 459 C4' DC D 22 -12.255 -4.270 3.698 1.00 0.00 C ATOM 460 O4' DC D 22 -11.343 -3.728 2.722 1.00 0.00 O ATOM 461 C3' DC D 22 -13.484 -4.770 2.927 1.00 0.00 C ATOM 462 O3' DC D 22 -14.691 -4.853 3.691 1.00 0.00 O ATOM 463 C2' DC D 22 -13.528 -3.716 1.853 1.00 0.00 C ATOM 464 C1' DC D 22 -12.057 -3.505 1.496 1.00 0.00 C ATOM 465 N1 DC D 22 -11.534 -4.368 0.410 1.00 0.00 N ATOM 466 C2 DC D 22 -11.285 -3.776 -0.819 1.00 0.00 C ATOM 467 O2 DC D 22 -11.490 -2.580 -1.012 1.00 0.00 O ATOM 468 N3 DC D 22 -10.803 -4.539 -1.827 1.00 0.00 N ATOM 469 C4 DC D 22 -10.570 -5.837 -1.642 1.00 0.00 C ATOM 470 N4 DC D 22 -10.094 -6.531 -2.665 1.00 0.00 N ATOM 471 C5 DC D 22 -10.816 -6.472 -0.387 1.00 0.00 C ATOM 472 C6 DC D 22 -11.297 -5.700 0.607 1.00 0.00 C ATOM 0 H5' DC D 22 -10.717 -4.960 5.036 1.00 0.00 H new ATOM 0 H5'' DC D 22 -12.287 -5.685 5.319 1.00 0.00 H new ATOM 0 H4' DC D 22 -12.554 -3.509 4.418 1.00 0.00 H new ATOM 0 H3' DC D 22 -13.407 -5.801 2.583 1.00 0.00 H new ATOM 0 H2' DC D 22 -14.106 -4.047 0.990 1.00 0.00 H new ATOM 0 H2'' DC D 22 -13.989 -2.796 2.213 1.00 0.00 H new ATOM 0 HO3' DC D 22 -15.418 -5.178 3.120 1.00 0.00 H new ATOM 0 H1' DC D 22 -11.928 -2.502 1.090 1.00 0.00 H new ATOM 0 H41 DC D 22 -9.903 -7.528 -2.561 1.00 0.00 H new ATOM 0 H42 DC D 22 -9.918 -6.069 -3.557 1.00 0.00 H new ATOM 0 H5 DC D 22 -10.625 -7.525 -0.241 1.00 0.00 H new ATOM 0 H6 DC D 22 -11.498 -6.140 1.573 1.00 0.00 H new TER 485 DC D 22 HETATM 486 N1 QUI A 0 4.850 1.219 -0.230 1.00 0.00 N HETATM 487 C2 QUI A 0 4.807 2.548 -0.528 1.00 0.00 C HETATM 488 C3 QUI A 0 4.995 2.984 -1.854 1.00 0.00 C HETATM 489 N4 QUI A 0 5.223 2.092 -2.855 1.00 0.00 N HETATM 490 C5 QUI A 0 5.517 -0.147 -3.585 1.00 0.00 C HETATM 491 C6 QUI A 0 5.578 -1.519 -3.285 1.00 0.00 C HETATM 492 C7 QUI A 0 5.390 -1.981 -1.955 1.00 0.00 C HETATM 493 C8 QUI A 0 5.140 -1.038 -0.931 1.00 0.00 C HETATM 494 C9 QUI A 0 5.080 0.330 -1.225 1.00 0.00 C HETATM 495 C10 QUI A 0 5.269 0.769 -2.552 1.00 0.00 C HETATM 496 C QUI A 0 4.573 3.527 0.556 1.00 0.00 C HETATM 497 O1 QUI A 0 4.884 4.712 0.389 1.00 0.00 O HETATM 0 H8 QUI A 0 4.993 -1.378 0.094 1.00 0.00 H new HETATM 0 H7 QUI A 0 5.438 -3.046 -1.727 1.00 0.00 H new HETATM 0 H6 QUI A 0 5.772 -2.237 -4.082 1.00 0.00 H new HETATM 0 H5 QUI A 0 5.661 0.201 -4.608 1.00 0.00 H new HETATM 0 H3 QUI A 0 4.957 4.049 -2.081 1.00 0.00 H new HETATM 503 N1 QUI A 9 -4.468 -1.330 -2.108 1.00 0.00 N HETATM 504 C2 QUI A 9 -4.390 -2.687 -2.197 1.00 0.00 C HETATM 505 C3 QUI A 9 -4.167 -3.305 -3.443 1.00 0.00 C HETATM 506 N4 QUI A 9 -4.029 -2.561 -4.572 1.00 0.00 N HETATM 507 C5 QUI A 9 -3.977 -0.447 -5.647 1.00 0.00 C HETATM 508 C6 QUI A 9 -4.068 0.954 -5.567 1.00 0.00 C HETATM 509 C7 QUI A 9 -4.293 1.598 -4.321 1.00 0.00 C HETATM 510 C8 QUI A 9 -4.423 0.806 -3.157 1.00 0.00 C HETATM 511 C9 QUI A 9 -4.333 -0.589 -3.231 1.00 0.00 C HETATM 512 C10 QUI A 9 -4.110 -1.209 -4.477 1.00 0.00 C HETATM 513 C QUI A 9 -4.558 -3.497 -0.972 1.00 0.00 C HETATM 514 O1 QUI A 9 -4.664 -4.728 -1.051 1.00 0.00 O HETATM 0 H8 QUI A 9 -4.595 1.286 -2.194 1.00 0.00 H new HETATM 0 H7 QUI A 9 -4.364 2.684 -4.263 1.00 0.00 H new HETATM 0 H6 QUI A 9 -3.965 1.553 -6.472 1.00 0.00 H new HETATM 0 H5 QUI A 9 -3.805 -0.935 -6.607 1.00 0.00 H new HETATM 0 H3 QUI A 9 -4.104 -4.392 -3.502 1.00 0.00 H new