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 3.984 2.920 1.777 1.00 0.00 N HETATM 2 CA DSN A 1 3.691 4.016 2.776 1.00 0.00 C HETATM 3 C DSN A 1 2.245 4.147 3.306 1.00 0.00 C HETATM 4 O DSN A 1 2.037 4.655 4.390 1.00 0.00 O HETATM 5 CB DSN A 1 4.695 3.813 3.972 1.00 0.00 C HETATM 6 OG DSN A 1 4.694 2.433 4.308 1.00 0.00 O HETATM 0 HB3 DSN A 1 5.697 4.137 3.689 1.00 0.00 H new HETATM 0 HB2 DSN A 1 4.395 4.415 4.829 1.00 0.00 H new HETATM 0 HA DSN A 1 3.818 4.955 2.237 1.00 0.00 H new HETATM 0 H DSN A 1 3.238 2.295 1.473 1.00 0.00 H new ATOM 11 N ALA A 2 1.286 3.709 2.534 1.00 0.00 N ATOM 12 CA ALA A 2 -0.159 3.794 2.959 1.00 0.00 C ATOM 13 C ALA A 2 -0.782 2.370 3.094 1.00 0.00 C ATOM 14 O ALA A 2 -0.262 1.467 2.466 1.00 0.00 O ATOM 15 CB ALA A 2 -0.868 4.635 1.897 1.00 0.00 C ATOM 0 H ALA A 2 1.435 3.290 1.616 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.264 4.256 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.923 4.731 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.414 5.625 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.773 4.150 0.926 1.00 0.00 H new HETATM 21 N NCY A 3 -1.868 2.236 3.848 1.00 0.00 N HETATM 22 CA NCY A 3 -2.474 0.843 4.012 1.00 0.00 C HETATM 23 CB NCY A 3 -2.987 0.715 5.512 1.00 0.00 C HETATM 24 SG NCY A 3 -1.921 0.944 6.966 1.00 0.00 S HETATM 25 CN NCY A 3 -2.868 3.364 3.943 1.00 0.00 C HETATM 26 C NCY A 3 -3.603 0.250 3.088 1.00 0.00 C HETATM 27 O NCY A 3 -3.398 -0.808 2.510 1.00 0.00 O HETATM 0 HCN3 NCY A 3 -3.620 3.250 3.163 1.00 0.00 H new HETATM 0 HCN2 NCY A 3 -3.352 3.340 4.919 1.00 0.00 H new HETATM 0 HCN1 NCY A 3 -2.355 4.317 3.816 1.00 0.00 H new HETATM 0 HB3 NCY A 3 -3.805 1.428 5.617 1.00 0.00 H new HETATM 0 HB2 NCY A 3 -3.419 -0.282 5.603 1.00 0.00 H new HETATM 0 HA NCY A 3 -1.626 0.243 3.683 1.00 0.00 H new HETATM 34 N MVA A 4 -4.770 0.883 2.921 1.00 0.00 N HETATM 35 CN MVA A 4 -5.507 2.120 3.372 1.00 0.00 C HETATM 36 CA MVA A 4 -5.855 0.276 2.024 1.00 0.00 C HETATM 37 CB MVA A 4 -6.002 1.239 0.680 1.00 0.00 C HETATM 38 CG1 MVA A 4 -7.002 2.415 0.829 1.00 0.00 C HETATM 39 CG2 MVA A 4 -4.650 1.934 0.295 1.00 0.00 C HETATM 40 C MVA A 4 -6.029 -1.214 1.599 1.00 0.00 C HETATM 41 O MVA A 4 -6.376 -1.549 0.480 1.00 0.00 O HETATM 0 HG23 MVA A 4 -4.314 2.559 1.122 1.00 0.00 H new HETATM 0 HG22 MVA A 4 -3.897 1.174 0.085 1.00 0.00 H new HETATM 0 HG21 MVA A 4 -4.798 2.553 -0.590 1.00 0.00 H new HETATM 0 HG13 MVA A 4 -7.996 2.022 1.044 1.00 0.00 H new HETATM 0 HG12 MVA A 4 -6.683 3.063 1.646 1.00 0.00 H new HETATM 0 HG11 MVA A 4 -7.031 2.988 -0.098 1.00 0.00 H new HETATM 0 HN3 MVA A 4 -5.766 2.726 2.504 1.00 0.00 H new HETATM 0 HN2 MVA A 4 -6.417 1.830 3.897 1.00 0.00 H new HETATM 0 HN1 MVA A 4 -4.871 2.699 4.041 1.00 0.00 H new HETATM 0 HB MVA A 4 -6.350 0.531 -0.072 1.00 0.00 H new HETATM 0 HA MVA A 4 -6.633 0.245 2.786 1.00 0.00 H new HETATM 53 N DSN A 5 -4.172 -3.073 0.600 1.00 0.00 N HETATM 54 CA DSN A 5 -4.351 -3.943 1.821 1.00 0.00 C HETATM 55 C DSN A 5 -3.226 -3.896 2.884 1.00 0.00 C HETATM 56 O DSN A 5 -3.471 -4.105 4.057 1.00 0.00 O HETATM 57 CB DSN A 5 -5.749 -3.528 2.409 1.00 0.00 C HETATM 58 OG DSN A 5 -5.769 -2.116 2.548 1.00 0.00 O HETATM 0 HB3 DSN A 5 -6.552 -3.857 1.749 1.00 0.00 H new HETATM 0 HB2 DSN A 5 -5.913 -4.008 3.374 1.00 0.00 H new HETATM 0 HA DSN A 5 -4.298 -4.989 1.519 1.00 0.00 H new HETATM 0 H DSN A 5 -3.339 -2.492 0.506 1.00 0.00 H new ATOM 63 N ALA A 6 -2.024 -3.636 2.440 1.00 0.00 N ATOM 64 CA ALA A 6 -0.831 -3.562 3.355 1.00 0.00 C ATOM 65 C ALA A 6 -0.288 -2.111 3.457 1.00 0.00 C ATOM 66 O ALA A 6 -0.603 -1.315 2.596 1.00 0.00 O ATOM 67 CB ALA A 6 0.231 -4.519 2.786 1.00 0.00 C ATOM 0 H ALA A 6 -1.808 -3.467 1.458 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.106 -3.855 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.117 -4.498 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.170 -5.532 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.499 -4.206 1.777 1.00 0.00 H new HETATM 73 N NCY A 7 0.523 -1.839 4.470 1.00 0.00 N HETATM 74 CA NCY A 7 1.047 -0.412 4.599 1.00 0.00 C HETATM 75 CB NCY A 7 0.773 -0.003 6.082 1.00 0.00 C HETATM 76 SG NCY A 7 -0.097 1.559 6.355 1.00 0.00 S HETATM 77 CN NCY A 7 1.342 -2.859 5.218 1.00 0.00 C HETATM 78 C NCY A 7 2.489 0.065 4.197 1.00 0.00 C HETATM 79 O NCY A 7 2.604 0.957 3.365 1.00 0.00 O HETATM 0 HCN3 NCY A 7 2.364 -2.855 4.838 1.00 0.00 H new HETATM 0 HCN2 NCY A 7 1.349 -2.612 6.280 1.00 0.00 H new HETATM 0 HCN1 NCY A 7 0.907 -3.849 5.078 1.00 0.00 H new HETATM 0 HB3 NCY A 7 0.196 -0.799 6.552 1.00 0.00 H new HETATM 0 HB2 NCY A 7 1.730 0.047 6.602 1.00 0.00 H new HETATM 0 HA NCY A 7 0.514 0.082 3.786 1.00 0.00 H new HETATM 86 N MVA A 8 3.579 -0.494 4.730 1.00 0.00 N HETATM 87 CN MVA A 8 3.973 -1.593 5.690 1.00 0.00 C HETATM 88 CA MVA A 8 4.973 -0.002 4.331 1.00 0.00 C HETATM 89 CB MVA A 8 5.675 -1.186 3.399 1.00 0.00 C HETATM 90 CG1 MVA A 8 6.467 -2.240 4.203 1.00 0.00 C HETATM 91 CG2 MVA A 8 4.615 -2.036 2.605 1.00 0.00 C HETATM 92 C MVA A 8 5.357 1.406 3.767 1.00 0.00 C HETATM 93 O MVA A 8 6.198 1.572 2.901 1.00 0.00 O HETATM 0 HG23 MVA A 8 3.937 -2.520 3.308 1.00 0.00 H new HETATM 0 HG22 MVA A 8 4.046 -1.382 1.944 1.00 0.00 H new HETATM 0 HG21 MVA A 8 5.127 -2.795 2.013 1.00 0.00 H new HETATM 0 HG13 MVA A 8 7.270 -1.750 4.754 1.00 0.00 H new HETATM 0 HG12 MVA A 8 5.799 -2.740 4.904 1.00 0.00 H new HETATM 0 HG11 MVA A 8 6.892 -2.975 3.520 1.00 0.00 H new HETATM 0 HN3 MVA A 8 4.577 -2.334 5.167 1.00 0.00 H new HETATM 0 HN2 MVA A 8 4.551 -1.169 6.511 1.00 0.00 H new HETATM 0 HN1 MVA A 8 3.076 -2.070 6.085 1.00 0.00 H new HETATM 0 HB MVA A 8 6.333 -0.610 2.748 1.00 0.00 H new HETATM 0 HA MVA A 8 5.342 0.201 5.336 1.00 0.00 H new TER 105 MVA A 8 ATOM 106 O5' DG C 11 -11.837 4.256 -11.993 1.00 0.00 O ATOM 107 C5' DG C 11 -12.006 2.893 -11.577 1.00 0.00 C ATOM 108 C4' DG C 11 -11.728 2.724 -10.084 1.00 0.00 C ATOM 109 O4' DG C 11 -11.875 1.366 -9.612 1.00 0.00 O ATOM 110 C3' DG C 11 -10.294 3.136 -9.723 1.00 0.00 C ATOM 111 O3' DG C 11 -10.282 4.436 -9.114 1.00 0.00 O ATOM 112 C2' DG C 11 -9.864 2.014 -8.796 1.00 0.00 C ATOM 113 C1' DG C 11 -11.145 1.336 -8.376 1.00 0.00 C ATOM 114 N9 DG C 11 -10.878 -0.035 -7.906 1.00 0.00 N ATOM 115 C8 DG C 11 -10.506 -1.136 -8.613 1.00 0.00 C ATOM 116 N7 DG C 11 -10.336 -2.230 -7.932 1.00 0.00 N ATOM 117 C5 DG C 11 -10.626 -1.809 -6.631 1.00 0.00 C ATOM 118 C6 DG C 11 -10.638 -2.542 -5.409 1.00 0.00 C ATOM 119 O6 DG C 11 -10.380 -3.723 -5.194 1.00 0.00 O ATOM 120 N1 DG C 11 -10.998 -1.745 -4.353 1.00 0.00 N ATOM 121 C2 DG C 11 -11.310 -0.420 -4.439 1.00 0.00 C ATOM 122 N2 DG C 11 -11.634 0.186 -3.319 1.00 0.00 N ATOM 123 N3 DG C 11 -11.309 0.287 -5.556 1.00 0.00 N ATOM 124 C4 DG C 11 -10.956 -0.474 -6.615 1.00 0.00 C ATOM 0 H5' DG C 11 -11.335 2.251 -12.148 1.00 0.00 H new ATOM 0 H5'' DG C 11 -13.023 2.568 -11.798 1.00 0.00 H new ATOM 0 H4' DG C 11 -12.471 3.365 -9.609 1.00 0.00 H new ATOM 0 H3' DG C 11 -9.615 3.244 -10.569 1.00 0.00 H new ATOM 0 H2' DG C 11 -9.198 1.317 -9.304 1.00 0.00 H new ATOM 0 H2'' DG C 11 -9.322 2.402 -7.933 1.00 0.00 H new ATOM 0 HO5' DG C 11 -12.020 4.330 -12.953 1.00 0.00 H new ATOM 0 H1' DG C 11 -11.674 1.802 -7.545 1.00 0.00 H new ATOM 0 H8 DG C 11 -10.360 -1.103 -9.683 1.00 0.00 H new ATOM 0 H1 DG C 11 -11.035 -2.177 -3.430 1.00 0.00 H new ATOM 0 H21 DG C 11 -11.876 1.177 -3.327 1.00 0.00 H new ATOM 0 H22 DG C 11 -11.643 -0.334 -2.442 1.00 0.00 H new ATOM 137 P DA C 12 -8.958 5.120 -8.482 1.00 0.00 P ATOM 138 OP1 DA C 12 -9.165 6.587 -8.474 1.00 0.00 O ATOM 139 OP2 DA C 12 -7.769 4.551 -9.157 1.00 0.00 O ATOM 140 O5' DA C 12 -8.989 4.580 -6.958 1.00 0.00 O ATOM 141 C5' DA C 12 -9.806 5.199 -5.941 1.00 0.00 C ATOM 142 C4' DA C 12 -9.461 4.753 -4.517 1.00 0.00 C ATOM 143 O4' DA C 12 -9.816 3.389 -4.224 1.00 0.00 O ATOM 144 C3' DA C 12 -7.962 4.910 -4.241 1.00 0.00 C ATOM 145 O3' DA C 12 -7.664 6.281 -3.931 1.00 0.00 O ATOM 146 C2' DA C 12 -7.855 3.980 -3.051 1.00 0.00 C ATOM 147 C1' DA C 12 -8.818 2.826 -3.357 1.00 0.00 C ATOM 148 N9 DA C 12 -8.254 1.621 -3.999 1.00 0.00 N ATOM 149 C8 DA C 12 -7.882 1.431 -5.299 1.00 0.00 C ATOM 150 N7 DA C 12 -7.430 0.252 -5.603 1.00 0.00 N ATOM 151 C5 DA C 12 -7.509 -0.416 -4.379 1.00 0.00 C ATOM 152 C6 DA C 12 -7.250 -1.743 -4.007 1.00 0.00 C ATOM 153 N6 DA C 12 -6.767 -2.659 -4.833 1.00 0.00 N ATOM 154 N1 DA C 12 -7.504 -2.101 -2.745 1.00 0.00 N ATOM 155 C2 DA C 12 -7.988 -1.205 -1.891 1.00 0.00 C ATOM 156 N3 DA C 12 -8.275 0.073 -2.117 1.00 0.00 N ATOM 157 C4 DA C 12 -8.008 0.406 -3.401 1.00 0.00 C ATOM 0 H5' DA C 12 -10.853 4.971 -6.140 1.00 0.00 H new ATOM 0 H5'' DA C 12 -9.697 6.281 -6.009 1.00 0.00 H new ATOM 0 H4' DA C 12 -10.056 5.403 -3.876 1.00 0.00 H new ATOM 0 H3' DA C 12 -7.271 4.676 -5.051 1.00 0.00 H new ATOM 0 H2' DA C 12 -6.835 3.619 -2.924 1.00 0.00 H new ATOM 0 H2'' DA C 12 -8.130 4.489 -2.127 1.00 0.00 H new ATOM 0 H1' DA C 12 -9.178 2.451 -2.399 1.00 0.00 H new ATOM 0 H8 DA C 12 -7.959 2.218 -6.034 1.00 0.00 H new ATOM 0 H61 DA C 12 -6.600 -3.609 -4.500 1.00 0.00 H new ATOM 0 H62 DA C 12 -6.562 -2.415 -5.802 1.00 0.00 H new ATOM 0 H2 DA C 12 -8.171 -1.560 -0.888 1.00 0.00 H new ATOM 169 P DC C 13 -6.297 7.017 -4.386 1.00 0.00 P ATOM 170 OP1 DC C 13 -6.503 8.480 -4.284 1.00 0.00 O ATOM 171 OP2 DC C 13 -5.831 6.423 -5.660 1.00 0.00 O ATOM 172 O5' DC C 13 -5.284 6.553 -3.220 1.00 0.00 O ATOM 173 C5' DC C 13 -5.529 6.904 -1.845 1.00 0.00 C ATOM 174 C4' DC C 13 -4.461 6.374 -0.899 1.00 0.00 C ATOM 175 O4' DC C 13 -4.361 4.937 -0.953 1.00 0.00 O ATOM 176 C3' DC C 13 -3.064 6.891 -1.237 1.00 0.00 C ATOM 177 O3' DC C 13 -2.775 8.212 -0.767 1.00 0.00 O ATOM 178 C2' DC C 13 -2.300 5.899 -0.423 1.00 0.00 C ATOM 179 C1' DC C 13 -3.003 4.576 -0.637 1.00 0.00 C ATOM 180 N1 DC C 13 -2.352 3.754 -1.685 1.00 0.00 N ATOM 181 C2 DC C 13 -1.734 2.569 -1.307 1.00 0.00 C ATOM 182 O2 DC C 13 -1.718 2.184 -0.144 1.00 0.00 O ATOM 183 N3 DC C 13 -1.135 1.816 -2.256 1.00 0.00 N ATOM 184 C4 DC C 13 -1.139 2.204 -3.523 1.00 0.00 C ATOM 185 N4 DC C 13 -0.540 1.412 -4.389 1.00 0.00 N ATOM 186 C5 DC C 13 -1.763 3.415 -3.943 1.00 0.00 C ATOM 187 C6 DC C 13 -2.357 4.156 -2.989 1.00 0.00 C ATOM 0 H5' DC C 13 -6.501 6.513 -1.543 1.00 0.00 H new ATOM 0 H5'' DC C 13 -5.580 7.989 -1.756 1.00 0.00 H new ATOM 0 H4' DC C 13 -4.777 6.721 0.085 1.00 0.00 H new ATOM 0 H3' DC C 13 -2.868 6.969 -2.306 1.00 0.00 H new ATOM 0 H2' DC C 13 -1.259 5.847 -0.743 1.00 0.00 H new ATOM 0 H2'' DC C 13 -2.296 6.176 0.631 1.00 0.00 H new ATOM 0 H1' DC C 13 -2.959 3.936 0.244 1.00 0.00 H new ATOM 0 H41 DC C 13 -0.514 1.664 -5.377 1.00 0.00 H new ATOM 0 H42 DC C 13 -0.102 0.547 -4.071 1.00 0.00 H new ATOM 0 H5 DC C 13 -1.759 3.723 -4.978 1.00 0.00 H new ATOM 0 H6 DC C 13 -2.844 5.081 -3.259 1.00 0.00 H new ATOM 199 P DG C 14 -2.226 9.343 -1.777 1.00 0.00 P ATOM 200 OP1 DG C 14 -1.800 10.509 -0.968 1.00 0.00 O ATOM 201 OP2 DG C 14 -3.223 9.528 -2.855 1.00 0.00 O ATOM 202 O5' DG C 14 -0.900 8.671 -2.437 1.00 0.00 O ATOM 203 C5' DG C 14 0.411 8.628 -1.832 1.00 0.00 C ATOM 204 C4' DG C 14 0.587 7.543 -0.756 1.00 0.00 C ATOM 205 O4' DG C 14 0.396 6.200 -1.265 1.00 0.00 O ATOM 206 C3' DG C 14 2.007 7.572 -0.153 1.00 0.00 C ATOM 207 O3' DG C 14 2.012 7.440 1.277 1.00 0.00 O ATOM 208 C2' DG C 14 2.608 6.342 -0.785 1.00 0.00 C ATOM 209 C1' DG C 14 1.459 5.359 -0.789 1.00 0.00 C ATOM 210 N9 DG C 14 1.663 4.235 -1.721 1.00 0.00 N ATOM 211 C8 DG C 14 1.815 4.284 -3.072 1.00 0.00 C ATOM 212 N7 DG C 14 1.966 3.148 -3.676 1.00 0.00 N ATOM 213 C5 DG C 14 1.910 2.241 -2.616 1.00 0.00 C ATOM 214 C6 DG C 14 2.026 0.828 -2.627 1.00 0.00 C ATOM 215 O6 DG C 14 2.190 0.086 -3.586 1.00 0.00 O ATOM 216 N1 DG C 14 1.930 0.289 -1.368 1.00 0.00 N ATOM 217 C2 DG C 14 1.744 1.013 -0.220 1.00 0.00 C ATOM 218 N2 DG C 14 1.660 0.330 0.898 1.00 0.00 N ATOM 219 N3 DG C 14 1.633 2.345 -0.184 1.00 0.00 N ATOM 220 C4 DG C 14 1.724 2.894 -1.418 1.00 0.00 C ATOM 0 H5' DG C 14 0.623 9.600 -1.386 1.00 0.00 H new ATOM 0 H5'' DG C 14 1.152 8.468 -2.615 1.00 0.00 H new ATOM 0 H4' DG C 14 -0.174 7.772 -0.010 1.00 0.00 H new ATOM 0 H3' DG C 14 2.531 8.509 -0.341 1.00 0.00 H new ATOM 0 H2' DG C 14 2.969 6.543 -1.794 1.00 0.00 H new ATOM 0 H2'' DG C 14 3.456 5.968 -0.211 1.00 0.00 H new ATOM 0 H1' DG C 14 1.300 4.883 0.178 1.00 0.00 H new ATOM 0 H8 DG C 14 1.810 5.219 -3.612 1.00 0.00 H new ATOM 0 H1 DG C 14 2.002 -0.725 -1.281 1.00 0.00 H new ATOM 0 H21 DG C 14 1.522 0.817 1.784 1.00 0.00 H new ATOM 0 H22 DG C 14 1.733 -0.687 0.881 1.00 0.00 H new ATOM 232 P DT C 15 1.574 8.654 2.254 1.00 0.00 P ATOM 233 OP1 DT C 15 0.119 8.543 2.505 1.00 0.00 O ATOM 234 OP2 DT C 15 2.131 9.910 1.700 1.00 0.00 O ATOM 235 O5' DT C 15 2.346 8.312 3.633 1.00 0.00 O ATOM 236 C5' DT C 15 3.616 8.873 4.010 1.00 0.00 C ATOM 237 C4' DT C 15 4.580 7.827 4.571 1.00 0.00 C ATOM 238 O4' DT C 15 4.917 6.825 3.585 1.00 0.00 O ATOM 239 C3' DT C 15 5.889 8.458 5.045 1.00 0.00 C ATOM 240 O3' DT C 15 6.357 7.866 6.266 1.00 0.00 O ATOM 241 C2' DT C 15 6.787 8.126 3.894 1.00 0.00 C ATOM 242 C1' DT C 15 6.340 6.747 3.451 1.00 0.00 C ATOM 243 N1 DT C 15 6.652 6.483 2.029 1.00 0.00 N ATOM 244 C2 DT C 15 7.471 5.420 1.711 1.00 0.00 C ATOM 245 O2 DT C 15 7.978 4.675 2.543 1.00 0.00 O ATOM 246 N3 DT C 15 7.714 5.221 0.379 1.00 0.00 N ATOM 247 C4 DT C 15 7.230 5.965 -0.661 1.00 0.00 C ATOM 248 O4 DT C 15 7.534 5.664 -1.811 1.00 0.00 O ATOM 249 C5 DT C 15 6.382 7.063 -0.256 1.00 0.00 C ATOM 250 C7 DT C 15 5.771 7.988 -1.314 1.00 0.00 C ATOM 251 C6 DT C 15 6.126 7.280 1.051 1.00 0.00 C ATOM 0 H5' DT C 15 3.457 9.652 4.756 1.00 0.00 H new ATOM 0 H5'' DT C 15 4.070 9.351 3.142 1.00 0.00 H new ATOM 0 H4' DT C 15 4.058 7.368 5.411 1.00 0.00 H new ATOM 0 H3' DT C 15 5.818 9.521 5.277 1.00 0.00 H new ATOM 0 H2' DT C 15 6.686 8.854 3.089 1.00 0.00 H new ATOM 0 H2'' DT C 15 7.835 8.126 4.195 1.00 0.00 H new ATOM 0 H1' DT C 15 6.829 5.961 4.027 1.00 0.00 H new ATOM 0 H3 DT C 15 8.319 4.436 0.137 1.00 0.00 H new ATOM 0 H71 DT C 15 4.817 8.372 -0.954 1.00 0.00 H new ATOM 0 H72 DT C 15 6.448 8.820 -1.504 1.00 0.00 H new ATOM 0 H73 DT C 15 5.613 7.430 -2.237 1.00 0.00 H new ATOM 0 H6 DT C 15 5.489 8.105 1.332 1.00 0.00 H new ATOM 264 P DC C 16 6.556 8.718 7.627 1.00 0.00 P ATOM 265 OP1 DC C 16 5.759 8.073 8.697 1.00 0.00 O ATOM 266 OP2 DC C 16 6.351 10.156 7.328 1.00 0.00 O ATOM 267 O5' DC C 16 8.121 8.509 7.989 1.00 0.00 O ATOM 268 C5' DC C 16 9.227 9.072 7.259 1.00 0.00 C ATOM 269 C4' DC C 16 10.112 7.969 6.685 1.00 0.00 C ATOM 270 O4' DC C 16 9.478 7.204 5.641 1.00 0.00 O ATOM 271 C3' DC C 16 11.404 8.454 6.030 1.00 0.00 C ATOM 272 O3' DC C 16 12.377 8.983 6.934 1.00 0.00 O ATOM 273 C2' DC C 16 11.823 7.141 5.427 1.00 0.00 C ATOM 274 C1' DC C 16 10.525 6.594 4.857 1.00 0.00 C ATOM 275 N1 DC C 16 10.391 6.813 3.399 1.00 0.00 N ATOM 276 C2 DC C 16 10.710 5.753 2.572 1.00 0.00 C ATOM 277 O2 DC C 16 11.106 4.677 3.014 1.00 0.00 O ATOM 278 N3 DC C 16 10.585 5.905 1.236 1.00 0.00 N ATOM 279 C4 DC C 16 10.165 7.054 0.718 1.00 0.00 C ATOM 280 N4 DC C 16 10.060 7.124 -0.601 1.00 0.00 N ATOM 281 C5 DC C 16 9.831 8.168 1.548 1.00 0.00 C ATOM 282 C6 DC C 16 9.960 8.000 2.881 1.00 0.00 C ATOM 0 H5' DC C 16 9.815 9.712 7.917 1.00 0.00 H new ATOM 0 H5'' DC C 16 8.853 9.702 6.452 1.00 0.00 H new ATOM 0 H4' DC C 16 10.313 7.382 7.581 1.00 0.00 H new ATOM 0 H3' DC C 16 11.287 9.298 5.350 1.00 0.00 H new ATOM 0 H2' DC C 16 12.578 7.276 4.653 1.00 0.00 H new ATOM 0 H2'' DC C 16 12.249 6.472 6.175 1.00 0.00 H new ATOM 0 HO3' DC C 16 13.169 9.267 6.432 1.00 0.00 H new ATOM 0 H1' DC C 16 10.480 5.508 4.935 1.00 0.00 H new ATOM 0 H41 DC C 16 9.741 7.987 -1.042 1.00 0.00 H new ATOM 0 H42 DC C 16 10.298 6.315 -1.175 1.00 0.00 H new ATOM 0 H5 DC C 16 9.491 9.103 1.128 1.00 0.00 H new ATOM 0 H6 DC C 16 9.719 8.816 3.547 1.00 0.00 H new TER 295 DC C 16 ATOM 296 O5' DG D 17 14.295 -2.297 -6.207 1.00 0.00 O ATOM 297 C5' DG D 17 14.556 -1.217 -5.303 1.00 0.00 C ATOM 298 C4' DG D 17 14.373 -1.636 -3.844 1.00 0.00 C ATOM 299 O4' DG D 17 14.632 -0.534 -2.944 1.00 0.00 O ATOM 300 C3' DG D 17 12.942 -2.105 -3.562 1.00 0.00 C ATOM 301 O3' DG D 17 12.730 -3.492 -3.864 1.00 0.00 O ATOM 302 C2' DG D 17 12.912 -1.849 -2.079 1.00 0.00 C ATOM 303 C1' DG D 17 13.628 -0.526 -1.911 1.00 0.00 C ATOM 304 N9 DG D 17 12.725 0.630 -2.056 1.00 0.00 N ATOM 305 C8 DG D 17 12.108 1.103 -3.168 1.00 0.00 C ATOM 306 N7 DG D 17 11.370 2.162 -3.019 1.00 0.00 N ATOM 307 C5 DG D 17 11.513 2.421 -1.655 1.00 0.00 C ATOM 308 C6 DG D 17 10.907 3.421 -0.844 1.00 0.00 C ATOM 309 O6 DG D 17 10.159 4.344 -1.155 1.00 0.00 O ATOM 310 N1 DG D 17 11.265 3.280 0.469 1.00 0.00 N ATOM 311 C2 DG D 17 12.094 2.316 0.962 1.00 0.00 C ATOM 312 N2 DG D 17 12.324 2.339 2.254 1.00 0.00 N ATOM 313 N3 DG D 17 12.674 1.374 0.239 1.00 0.00 N ATOM 314 C4 DG D 17 12.337 1.488 -1.065 1.00 0.00 C ATOM 0 H5' DG D 17 13.888 -0.386 -5.528 1.00 0.00 H new ATOM 0 H5'' DG D 17 15.574 -0.857 -5.452 1.00 0.00 H new ATOM 0 H4' DG D 17 15.080 -2.449 -3.679 1.00 0.00 H new ATOM 0 H3' DG D 17 12.172 -1.612 -4.156 1.00 0.00 H new ATOM 0 H2' DG D 17 11.889 -1.798 -1.705 1.00 0.00 H new ATOM 0 H2'' DG D 17 13.413 -2.645 -1.528 1.00 0.00 H new ATOM 0 HO5' DG D 17 14.421 -1.990 -7.129 1.00 0.00 H new ATOM 0 H1' DG D 17 14.048 -0.423 -0.910 1.00 0.00 H new ATOM 0 H8 DG D 17 12.224 0.623 -4.129 1.00 0.00 H new ATOM 0 H1 DG D 17 10.880 3.951 1.134 1.00 0.00 H new ATOM 0 H21 DG D 17 12.937 1.641 2.675 1.00 0.00 H new ATOM 0 H22 DG D 17 11.890 3.055 2.837 1.00 0.00 H new ATOM 327 P DA D 18 11.247 -4.134 -3.925 1.00 0.00 P ATOM 328 OP1 DA D 18 11.376 -5.575 -4.233 1.00 0.00 O ATOM 329 OP2 DA D 18 10.417 -3.271 -4.795 1.00 0.00 O ATOM 330 O5' DA D 18 10.710 -3.982 -2.412 1.00 0.00 O ATOM 331 C5' DA D 18 11.273 -4.668 -1.275 1.00 0.00 C ATOM 332 C4' DA D 18 10.734 -4.104 0.043 1.00 0.00 C ATOM 333 O4' DA D 18 11.074 -2.706 0.186 1.00 0.00 O ATOM 334 C3' DA D 18 9.205 -4.208 0.103 1.00 0.00 C ATOM 335 O3' DA D 18 8.768 -5.412 0.741 1.00 0.00 O ATOM 336 C2' DA D 18 8.915 -3.057 1.014 1.00 0.00 C ATOM 337 C1' DA D 18 9.908 -1.987 0.613 1.00 0.00 C ATOM 338 N9 DA D 18 9.430 -1.030 -0.403 1.00 0.00 N ATOM 339 C8 DA D 18 9.390 -1.123 -1.764 1.00 0.00 C ATOM 340 N7 DA D 18 8.916 -0.087 -2.396 1.00 0.00 N ATOM 341 C5 DA D 18 8.610 0.782 -1.344 1.00 0.00 C ATOM 342 C6 DA D 18 8.105 2.090 -1.302 1.00 0.00 C ATOM 343 N6 DA D 18 7.763 2.795 -2.369 1.00 0.00 N ATOM 344 N1 DA D 18 7.969 2.662 -0.102 1.00 0.00 N ATOM 345 C2 DA D 18 8.310 1.992 0.991 1.00 0.00 C ATOM 346 N3 DA D 18 8.795 0.766 1.088 1.00 0.00 N ATOM 347 C4 DA D 18 8.921 0.212 -0.137 1.00 0.00 C ATOM 0 H5' DA D 18 12.359 -4.576 -1.294 1.00 0.00 H new ATOM 0 H5'' DA D 18 11.042 -5.731 -1.339 1.00 0.00 H new ATOM 0 H4' DA D 18 11.187 -4.691 0.842 1.00 0.00 H new ATOM 0 H3' DA D 18 8.725 -4.204 -0.876 1.00 0.00 H new ATOM 0 H2' DA D 18 7.889 -2.708 0.897 1.00 0.00 H new ATOM 0 H2'' DA D 18 9.038 -3.339 2.060 1.00 0.00 H new ATOM 0 H1' DA D 18 10.105 -1.330 1.460 1.00 0.00 H new ATOM 0 H8 DA D 18 9.731 -2.004 -2.287 1.00 0.00 H new ATOM 0 H61 DA D 18 7.402 3.743 -2.260 1.00 0.00 H new ATOM 0 H62 DA D 18 7.860 2.390 -3.300 1.00 0.00 H new ATOM 0 H2 DA D 18 8.173 2.517 1.925 1.00 0.00 H new ATOM 359 P DC D 19 8.231 -6.679 -0.089 1.00 0.00 P ATOM 360 OP1 DC D 19 9.366 -7.606 -0.307 1.00 0.00 O ATOM 361 OP2 DC D 19 7.441 -6.192 -1.247 1.00 0.00 O ATOM 362 O5' DC D 19 7.225 -7.361 0.976 1.00 0.00 O ATOM 363 C5' DC D 19 5.859 -7.676 0.675 1.00 0.00 C ATOM 364 C4' DC D 19 4.850 -6.873 1.501 1.00 0.00 C ATOM 365 O4' DC D 19 4.844 -5.450 1.244 1.00 0.00 O ATOM 366 C3' DC D 19 3.460 -7.371 1.164 1.00 0.00 C ATOM 367 O3' DC D 19 3.202 -8.565 1.918 1.00 0.00 O ATOM 368 C2' DC D 19 2.661 -6.198 1.654 1.00 0.00 C ATOM 369 C1' DC D 19 3.481 -4.967 1.293 1.00 0.00 C ATOM 370 N1 DC D 19 3.113 -4.332 0.005 1.00 0.00 N ATOM 371 C2 DC D 19 2.452 -3.107 0.006 1.00 0.00 C ATOM 372 O2 DC D 19 2.139 -2.532 1.041 1.00 0.00 O ATOM 373 N3 DC D 19 2.145 -2.535 -1.182 1.00 0.00 N ATOM 374 C4 DC D 19 2.470 -3.137 -2.320 1.00 0.00 C ATOM 375 N4 DC D 19 2.155 -2.521 -3.443 1.00 0.00 N ATOM 376 C5 DC D 19 3.145 -4.392 -2.351 1.00 0.00 C ATOM 377 C6 DC D 19 3.444 -4.949 -1.164 1.00 0.00 C ATOM 0 H5' DC D 19 5.693 -8.739 0.848 1.00 0.00 H new ATOM 0 H5'' DC D 19 5.677 -7.493 -0.384 1.00 0.00 H new ATOM 0 H4' DC D 19 5.141 -7.018 2.541 1.00 0.00 H new ATOM 0 H3' DC D 19 3.261 -7.640 0.127 1.00 0.00 H new ATOM 0 H2' DC D 19 1.679 -6.168 1.182 1.00 0.00 H new ATOM 0 H2'' DC D 19 2.496 -6.258 2.730 1.00 0.00 H new ATOM 0 H1' DC D 19 3.310 -4.180 2.027 1.00 0.00 H new ATOM 0 H41 DC D 19 2.386 -2.947 -4.341 1.00 0.00 H new ATOM 0 H42 DC D 19 1.681 -1.618 -3.414 1.00 0.00 H new ATOM 0 H5 DC D 19 3.404 -4.873 -3.283 1.00 0.00 H new ATOM 0 H6 DC D 19 3.955 -5.900 -1.137 1.00 0.00 H new ATOM 389 P DG D 20 2.114 -9.642 1.433 1.00 0.00 P ATOM 390 OP1 DG D 20 2.069 -10.748 2.417 1.00 0.00 O ATOM 391 OP2 DG D 20 2.333 -9.928 -0.004 1.00 0.00 O ATOM 392 O5' DG D 20 0.793 -8.737 1.600 1.00 0.00 O ATOM 393 C5' DG D 20 -0.431 -8.949 0.892 1.00 0.00 C ATOM 394 C4' DG D 20 -1.261 -7.673 0.875 1.00 0.00 C ATOM 395 O4' DG D 20 -0.610 -6.609 0.143 1.00 0.00 O ATOM 396 C3' DG D 20 -2.612 -7.904 0.197 1.00 0.00 C ATOM 397 O3' DG D 20 -3.686 -7.838 1.145 1.00 0.00 O ATOM 398 C2' DG D 20 -2.659 -6.779 -0.794 1.00 0.00 C ATOM 399 C1' DG D 20 -1.667 -5.750 -0.282 1.00 0.00 C ATOM 400 N9 DG D 20 -1.242 -4.848 -1.368 1.00 0.00 N ATOM 401 C8 DG D 20 -0.820 -5.175 -2.620 1.00 0.00 C ATOM 402 N7 DG D 20 -0.523 -4.188 -3.406 1.00 0.00 N ATOM 403 C5 DG D 20 -0.773 -3.082 -2.590 1.00 0.00 C ATOM 404 C6 DG D 20 -0.665 -1.699 -2.880 1.00 0.00 C ATOM 405 O6 DG D 20 -0.298 -1.164 -3.916 1.00 0.00 O ATOM 406 N1 DG D 20 -1.033 -0.918 -1.816 1.00 0.00 N ATOM 407 C2 DG D 20 -1.453 -1.393 -0.604 1.00 0.00 C ATOM 408 N2 DG D 20 -1.742 -0.504 0.313 1.00 0.00 N ATOM 409 N3 DG D 20 -1.564 -2.689 -0.309 1.00 0.00 N ATOM 410 C4 DG D 20 -1.208 -3.476 -1.347 1.00 0.00 C ATOM 0 H5' DG D 20 -0.997 -9.752 1.363 1.00 0.00 H new ATOM 0 H5'' DG D 20 -0.218 -9.266 -0.129 1.00 0.00 H new ATOM 0 H4' DG D 20 -1.386 -7.390 1.920 1.00 0.00 H new ATOM 0 H3' DG D 20 -2.719 -8.886 -0.263 1.00 0.00 H new ATOM 0 H2' DG D 20 -2.388 -7.123 -1.792 1.00 0.00 H new ATOM 0 H2'' DG D 20 -3.662 -6.358 -0.863 1.00 0.00 H new ATOM 0 H1' DG D 20 -2.042 -5.082 0.494 1.00 0.00 H new ATOM 0 H8 DG D 20 -0.737 -6.203 -2.942 1.00 0.00 H new ATOM 0 H1 DG D 20 -0.991 0.094 -1.937 1.00 0.00 H new ATOM 0 H21 DG D 20 -2.060 -0.806 1.234 1.00 0.00 H new ATOM 0 H22 DG D 20 -1.649 0.491 0.106 1.00 0.00 H new ATOM 422 P DT D 21 -4.486 -9.179 1.549 1.00 0.00 P ATOM 423 OP1 DT D 21 -3.494 -10.256 1.775 1.00 0.00 O ATOM 424 OP2 DT D 21 -5.544 -9.374 0.529 1.00 0.00 O ATOM 425 O5' DT D 21 -5.193 -8.865 2.973 1.00 0.00 O ATOM 426 C5' DT D 21 -6.620 -8.880 3.113 1.00 0.00 C ATOM 427 C4' DT D 21 -7.221 -7.479 3.192 1.00 0.00 C ATOM 428 O4' DT D 21 -6.765 -6.603 2.138 1.00 0.00 O ATOM 429 C3' DT D 21 -8.743 -7.558 3.099 1.00 0.00 C ATOM 430 O3' DT D 21 -9.389 -6.623 3.974 1.00 0.00 O ATOM 431 C2' DT D 21 -8.910 -7.212 1.649 1.00 0.00 C ATOM 432 C1' DT D 21 -7.909 -6.104 1.435 1.00 0.00 C ATOM 433 N1 DT D 21 -7.568 -5.937 0.011 1.00 0.00 N ATOM 434 C2 DT D 21 -7.938 -4.771 -0.626 1.00 0.00 C ATOM 435 O2 DT D 21 -8.559 -3.863 -0.086 1.00 0.00 O ATOM 436 N3 DT D 21 -7.585 -4.663 -1.936 1.00 0.00 N ATOM 437 C4 DT D 21 -6.905 -5.590 -2.677 1.00 0.00 C ATOM 438 O4 DT D 21 -6.656 -5.348 -3.853 1.00 0.00 O ATOM 439 C5 DT D 21 -6.548 -6.792 -1.950 1.00 0.00 C ATOM 440 C7 DT D 21 -5.777 -7.918 -2.647 1.00 0.00 C ATOM 441 C6 DT D 21 -6.889 -6.919 -0.650 1.00 0.00 C ATOM 0 H5' DT D 21 -6.887 -9.436 4.012 1.00 0.00 H new ATOM 0 H5'' DT D 21 -7.058 -9.411 2.268 1.00 0.00 H new ATOM 0 H4' DT D 21 -6.895 -7.067 4.147 1.00 0.00 H new ATOM 0 H3' DT D 21 -9.185 -8.508 3.400 1.00 0.00 H new ATOM 0 H2' DT D 21 -8.705 -8.068 1.006 1.00 0.00 H new ATOM 0 H2'' DT D 21 -9.926 -6.884 1.429 1.00 0.00 H new ATOM 0 H1' DT D 21 -8.276 -5.133 1.769 1.00 0.00 H new ATOM 0 H3 DT D 21 -7.855 -3.803 -2.414 1.00 0.00 H new ATOM 0 H71 DT D 21 -5.158 -8.441 -1.918 1.00 0.00 H new ATOM 0 H72 DT D 21 -6.482 -8.619 -3.094 1.00 0.00 H new ATOM 0 H73 DT D 21 -5.142 -7.496 -3.426 1.00 0.00 H new ATOM 0 H6 DT D 21 -6.618 -7.820 -0.120 1.00 0.00 H new ATOM 454 P DC D 22 -10.988 -6.542 4.188 1.00 0.00 P ATOM 455 OP1 DC D 22 -11.261 -6.472 5.640 1.00 0.00 O ATOM 456 OP2 DC D 22 -11.644 -7.579 3.359 1.00 0.00 O ATOM 457 O5' DC D 22 -11.324 -5.102 3.523 1.00 0.00 O ATOM 458 C5' DC D 22 -10.862 -3.864 4.102 1.00 0.00 C ATOM 459 C4' DC D 22 -11.419 -2.605 3.414 1.00 0.00 C ATOM 460 O4' DC D 22 -10.987 -2.513 2.040 1.00 0.00 O ATOM 461 C3' DC D 22 -12.953 -2.542 3.383 1.00 0.00 C ATOM 462 O3' DC D 22 -13.395 -1.184 3.249 1.00 0.00 O ATOM 463 C2' DC D 22 -13.183 -3.279 2.088 1.00 0.00 C ATOM 464 C1' DC D 22 -12.124 -2.668 1.177 1.00 0.00 C ATOM 465 N1 DC D 22 -11.731 -3.511 0.028 1.00 0.00 N ATOM 466 C2 DC D 22 -11.743 -2.947 -1.237 1.00 0.00 C ATOM 467 O2 DC D 22 -12.076 -1.780 -1.423 1.00 0.00 O ATOM 468 N3 DC D 22 -11.374 -3.709 -2.294 1.00 0.00 N ATOM 469 C4 DC D 22 -11.008 -4.977 -2.122 1.00 0.00 C ATOM 470 N4 DC D 22 -10.653 -5.668 -3.195 1.00 0.00 N ATOM 471 C5 DC D 22 -10.988 -5.583 -0.827 1.00 0.00 C ATOM 472 C6 DC D 22 -11.356 -4.810 0.215 1.00 0.00 C ATOM 0 H5' DC D 22 -9.773 -3.838 4.058 1.00 0.00 H new ATOM 0 H5'' DC D 22 -11.139 -3.842 5.156 1.00 0.00 H new ATOM 0 H4' DC D 22 -11.031 -1.785 4.018 1.00 0.00 H new ATOM 0 H3' DC D 22 -13.461 -2.936 4.263 1.00 0.00 H new ATOM 0 H2' DC D 22 -13.050 -4.355 2.203 1.00 0.00 H new ATOM 0 H2'' DC D 22 -14.191 -3.122 1.703 1.00 0.00 H new ATOM 0 HO3' DC D 22 -14.374 -1.159 3.229 1.00 0.00 H new ATOM 0 H1' DC D 22 -12.510 -1.752 0.730 1.00 0.00 H new ATOM 0 H41 DC D 22 -10.366 -6.643 -3.102 1.00 0.00 H new ATOM 0 H42 DC D 22 -10.666 -5.225 -4.114 1.00 0.00 H new ATOM 0 H5 DC D 22 -10.692 -6.612 -0.690 1.00 0.00 H new ATOM 0 H6 DC D 22 -11.354 -5.225 1.212 1.00 0.00 H new TER 485 DC D 22 HETATM 486 N1 QUI A 0 5.178 0.789 0.279 1.00 0.00 N HETATM 487 C2 QUI A 0 4.888 2.000 -0.263 1.00 0.00 C HETATM 488 C3 QUI A 0 4.822 2.154 -1.663 1.00 0.00 C HETATM 489 N4 QUI A 0 5.045 1.096 -2.492 1.00 0.00 N HETATM 490 C5 QUI A 0 5.569 -1.208 -2.790 1.00 0.00 C HETATM 491 C6 QUI A 0 5.873 -2.463 -2.226 1.00 0.00 C HETATM 492 C7 QUI A 0 5.943 -2.626 -0.814 1.00 0.00 C HETATM 493 C8 QUI A 0 5.704 -1.504 0.005 1.00 0.00 C HETATM 494 C9 QUI A 0 5.403 -0.260 -0.543 1.00 0.00 C HETATM 495 C10 QUI A 0 5.336 -0.113 -1.941 1.00 0.00 C HETATM 496 C QUI A 0 4.649 3.140 0.646 1.00 0.00 C HETATM 497 O1 QUI A 0 5.067 4.267 0.342 1.00 0.00 O HETATM 0 H8 QUI A 0 5.756 -1.612 1.088 1.00 0.00 H new HETATM 0 H7 QUI A 0 6.176 -3.596 -0.376 1.00 0.00 H new HETATM 0 H6 QUI A 0 6.056 -3.317 -2.878 1.00 0.00 H new HETATM 0 H5 QUI A 0 5.515 -1.088 -3.872 1.00 0.00 H new HETATM 0 H3 QUI A 0 4.590 3.131 -2.087 1.00 0.00 H new HETATM 503 N1 QUI A 9 -4.600 -1.269 -1.598 1.00 0.00 N HETATM 504 C2 QUI A 9 -4.328 -2.586 -1.764 1.00 0.00 C HETATM 505 C3 QUI A 9 -3.882 -3.066 -3.013 1.00 0.00 C HETATM 506 N4 QUI A 9 -3.717 -2.218 -4.065 1.00 0.00 N HETATM 507 C5 QUI A 9 -3.835 -0.014 -4.965 1.00 0.00 C HETATM 508 C6 QUI A 9 -4.128 1.353 -4.780 1.00 0.00 C HETATM 509 C7 QUI A 9 -4.581 1.836 -3.522 1.00 0.00 C HETATM 510 C8 QUI A 9 -4.732 0.922 -2.462 1.00 0.00 C HETATM 511 C9 QUI A 9 -4.441 -0.428 -2.637 1.00 0.00 C HETATM 512 C10 QUI A 9 -3.995 -0.897 -3.886 1.00 0.00 C HETATM 513 C QUI A 9 -4.523 -3.489 -0.613 1.00 0.00 C HETATM 514 O1 QUI A 9 -5.012 -4.610 -0.794 1.00 0.00 O HETATM 0 H8 QUI A 9 -5.081 1.276 -1.492 1.00 0.00 H new HETATM 0 H7 QUI A 9 -4.807 2.893 -3.381 1.00 0.00 H new HETATM 0 H6 QUI A 9 -4.006 2.047 -5.611 1.00 0.00 H new HETATM 0 H5 QUI A 9 -3.489 -0.379 -5.932 1.00 0.00 H new HETATM 0 H3 QUI A 9 -3.667 -4.127 -3.137 1.00 0.00 H new