USER MOD reduce.3.24.130724 H: found=0, std=0, add=196, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 197 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 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 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= -1.49 USER MOD Single : C 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 5 DT C7 :methyl 150:sc= 0 (180deg=0) 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 -5.448 0.209 -0.286 1.00 0.00 N HETATM 2 CA DSN A 1 -6.033 0.351 -1.660 1.00 0.00 C HETATM 3 C DSN A 1 -5.040 0.681 -2.791 1.00 0.00 C HETATM 4 O DSN A 1 -5.425 0.634 -3.944 1.00 0.00 O HETATM 5 CB DSN A 1 -6.795 -0.980 -1.967 1.00 0.00 C HETATM 6 OG DSN A 1 -5.795 -1.981 -1.999 1.00 0.00 O HETATM 0 HB3 DSN A 1 -7.541 -1.193 -1.201 1.00 0.00 H new HETATM 0 HB2 DSN A 1 -7.324 -0.921 -2.918 1.00 0.00 H new HETATM 0 HA DSN A 1 -6.686 1.224 -1.643 1.00 0.00 H new ATOM 11 N ALA A 2 -3.811 0.998 -2.459 1.00 0.00 N ATOM 12 CA ALA A 2 -2.804 1.336 -3.530 1.00 0.00 C ATOM 13 C ALA A 2 -2.185 0.060 -4.135 1.00 0.00 C ATOM 14 O ALA A 2 -2.161 -0.964 -3.474 1.00 0.00 O ATOM 15 CB ALA A 2 -1.666 2.235 -2.827 1.00 0.00 C ATOM 0 H ALA A 2 -3.458 1.039 -1.503 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.282 1.873 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.910 2.507 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.117 3.140 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.200 1.667 -2.022 1.00 0.00 H new HETATM 21 N NCY A 3 -1.710 0.159 -5.366 1.00 0.00 N HETATM 22 CA NCY A 3 -1.087 -1.054 -6.002 1.00 0.00 C HETATM 23 CB NCY A 3 -1.987 -1.602 -7.113 1.00 0.00 C HETATM 24 SG NCY A 3 -1.372 -3.158 -7.810 1.00 0.00 S HETATM 25 CN NCY A 3 -1.899 1.203 -6.433 1.00 0.00 C HETATM 26 C NCY A 3 0.311 -0.801 -6.564 1.00 0.00 C HETATM 27 O NCY A 3 0.513 -0.560 -7.741 1.00 0.00 O HETATM 0 HCN3 NCY A 3 -0.932 1.461 -6.865 1.00 0.00 H new HETATM 0 HCN2 NCY A 3 -2.552 0.812 -7.213 1.00 0.00 H new HETATM 0 HCN1 NCY A 3 -2.350 2.093 -5.995 1.00 0.00 H new HETATM 0 HB3 NCY A 3 -2.991 -1.758 -6.718 1.00 0.00 H new HETATM 0 HB2 NCY A 3 -2.069 -0.860 -7.907 1.00 0.00 H new HETATM 0 HA NCY A 3 -0.983 -1.787 -5.202 1.00 0.00 H new ATOM 34 N VAL A 4 1.245 -0.876 -5.656 1.00 0.00 N ATOM 35 CA VAL A 4 2.684 -0.654 -6.004 1.00 0.00 C ATOM 36 C VAL A 4 3.452 -1.793 -5.280 1.00 0.00 C ATOM 37 O VAL A 4 3.209 -2.955 -5.543 1.00 0.00 O ATOM 38 CB VAL A 4 3.149 0.877 -5.494 1.00 0.00 C ATOM 39 CG1 VAL A 4 2.753 2.225 -6.417 1.00 0.00 C ATOM 40 CG2 VAL A 4 2.162 1.234 -4.210 1.00 0.00 C ATOM 0 H VAL A 4 1.073 -1.085 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 4 2.887 -0.686 -7.075 1.00 0.00 H new ATOM 0 HB VAL A 4 4.231 0.774 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.135 3.123 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.197 2.131 -7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.669 2.296 -6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.410 2.223 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.122 1.222 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.305 0.492 -3.424 1.00 0.00 H new HETATM 50 N DSN A 5 4.968 -1.199 -1.654 1.00 0.00 N HETATM 51 CA DSN A 5 5.156 -2.483 -2.402 1.00 0.00 C HETATM 52 C DSN A 5 3.982 -3.460 -2.382 1.00 0.00 C HETATM 53 O DSN A 5 4.042 -4.429 -3.115 1.00 0.00 O HETATM 54 CB DSN A 5 5.503 -2.139 -3.892 1.00 0.00 C HETATM 55 OG DSN A 5 4.368 -1.443 -4.375 1.00 0.00 O HETATM 0 HB3 DSN A 5 6.401 -1.525 -3.958 1.00 0.00 H new HETATM 0 HB2 DSN A 5 5.691 -3.042 -4.473 1.00 0.00 H new HETATM 0 HA DSN A 5 5.958 -3.004 -1.880 1.00 0.00 H new ATOM 60 N ALA A 6 2.961 -3.228 -1.589 1.00 0.00 N ATOM 61 CA ALA A 6 1.823 -4.223 -1.606 1.00 0.00 C ATOM 62 C ALA A 6 0.755 -3.798 -2.642 1.00 0.00 C ATOM 63 O ALA A 6 0.715 -2.644 -3.043 1.00 0.00 O ATOM 64 CB ALA A 6 1.187 -4.257 -0.123 1.00 0.00 C ATOM 0 H ALA A 6 2.860 -2.434 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 6 2.183 -5.212 -1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.360 -4.967 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.950 -4.563 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.821 -3.264 0.139 1.00 0.00 H new HETATM 69 N NCY A 7 -0.068 -4.752 -3.055 1.00 0.00 N HETATM 70 CA NCY A 7 -1.138 -4.389 -4.056 1.00 0.00 C HETATM 71 CB NCY A 7 -0.919 -5.068 -5.413 1.00 0.00 C HETATM 72 SG NCY A 7 -2.152 -4.636 -6.672 1.00 0.00 S HETATM 73 CN NCY A 7 0.063 -6.260 -3.033 1.00 0.00 C HETATM 74 C NCY A 7 -2.493 -4.791 -3.500 1.00 0.00 C HETATM 75 O NCY A 7 -2.961 -5.904 -3.651 1.00 0.00 O HETATM 0 HCN3 NCY A 7 -0.889 -6.704 -2.742 1.00 0.00 H new HETATM 0 HCN2 NCY A 7 0.341 -6.616 -4.025 1.00 0.00 H new HETATM 0 HCN1 NCY A 7 0.832 -6.548 -2.316 1.00 0.00 H new HETATM 0 HB3 NCY A 7 0.071 -4.801 -5.784 1.00 0.00 H new HETATM 0 HB2 NCY A 7 -0.926 -6.149 -5.271 1.00 0.00 H new HETATM 0 HA NCY A 7 -1.092 -3.312 -4.220 1.00 0.00 H new ATOM 82 N VAL A 8 -3.078 -3.814 -2.859 1.00 0.00 N ATOM 83 CA VAL A 8 -4.412 -4.013 -2.221 1.00 0.00 C ATOM 84 C VAL A 8 -5.372 -2.943 -2.820 1.00 0.00 C ATOM 85 O VAL A 8 -5.708 -2.999 -3.986 1.00 0.00 O ATOM 86 CB VAL A 8 -4.121 -3.881 -0.616 1.00 0.00 C ATOM 87 CG1 VAL A 8 -5.337 -4.199 0.474 1.00 0.00 C ATOM 88 CG2 VAL A 8 -2.850 -4.848 -0.026 1.00 0.00 C ATOM 0 H VAL A 8 -2.685 -2.879 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.897 -4.973 -2.400 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.914 -2.811 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.962 -4.061 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.170 -3.518 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.677 -5.227 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.738 -4.688 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.074 -5.898 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.923 -4.578 -0.532 1.00 0.00 H new TER 98 VAL A 8 ATOM 99 O5' DG C 1 10.923 9.805 -0.595 1.00 0.00 O ATOM 100 C5' DG C 1 11.219 10.718 -1.655 1.00 0.00 C ATOM 101 C4' DG C 1 10.741 10.199 -3.015 1.00 0.00 C ATOM 102 O4' DG C 1 11.367 8.932 -3.330 1.00 0.00 O ATOM 103 C3' DG C 1 9.237 9.982 -3.078 1.00 0.00 C ATOM 104 O3' DG C 1 8.622 10.186 -4.368 1.00 0.00 O ATOM 105 C2' DG C 1 9.205 8.564 -2.528 1.00 0.00 C ATOM 106 C1' DG C 1 10.391 7.873 -3.221 1.00 0.00 C ATOM 107 N9 DG C 1 10.886 6.766 -2.375 1.00 0.00 N ATOM 108 C8 DG C 1 11.559 6.815 -1.190 1.00 0.00 C ATOM 109 N7 DG C 1 11.876 5.675 -0.662 1.00 0.00 N ATOM 110 C5 DG C 1 11.367 4.767 -1.587 1.00 0.00 C ATOM 111 C6 DG C 1 11.481 3.354 -1.619 1.00 0.00 C ATOM 112 O6 DG C 1 11.980 2.604 -0.785 1.00 0.00 O ATOM 113 N1 DG C 1 10.934 2.821 -2.770 1.00 0.00 N ATOM 114 C2 DG C 1 10.340 3.546 -3.781 1.00 0.00 C ATOM 115 N2 DG C 1 9.867 2.847 -4.816 1.00 0.00 N ATOM 116 N3 DG C 1 10.228 4.879 -3.758 1.00 0.00 N ATOM 117 C4 DG C 1 10.761 5.419 -2.636 1.00 0.00 C ATOM 0 H5' DG C 1 12.294 10.893 -1.692 1.00 0.00 H new ATOM 0 H5'' DG C 1 10.747 11.678 -1.448 1.00 0.00 H new ATOM 0 H4' DG C 1 11.020 10.972 -3.731 1.00 0.00 H new ATOM 0 H3' DG C 1 8.632 10.705 -2.531 1.00 0.00 H new ATOM 0 H2' DG C 1 9.314 8.553 -1.444 1.00 0.00 H new ATOM 0 H2'' DG C 1 8.263 8.067 -2.758 1.00 0.00 H new ATOM 0 HO5' DG C 1 11.246 10.173 0.254 1.00 0.00 H new ATOM 0 H1' DG C 1 10.147 7.431 -4.187 1.00 0.00 H new ATOM 0 H8 DG C 1 11.814 7.752 -0.718 1.00 0.00 H new ATOM 0 H1 DG C 1 10.973 1.808 -2.881 1.00 0.00 H new ATOM 0 H21 DG C 1 9.417 3.329 -5.594 1.00 0.00 H new ATOM 0 H22 DG C 1 9.956 1.831 -4.828 1.00 0.00 H new ATOM 130 P DA C 2 8.995 9.489 -5.780 1.00 0.00 P ATOM 131 OP1 DA C 2 10.467 9.425 -5.915 1.00 0.00 O ATOM 132 OP2 DA C 2 8.196 10.158 -6.833 1.00 0.00 O ATOM 133 O5' DA C 2 8.438 7.984 -5.594 1.00 0.00 O ATOM 134 C5' DA C 2 7.176 7.561 -6.129 1.00 0.00 C ATOM 135 C4' DA C 2 6.116 7.266 -5.071 1.00 0.00 C ATOM 136 O4' DA C 2 6.552 6.233 -4.165 1.00 0.00 O ATOM 137 C3' DA C 2 5.721 8.453 -4.208 1.00 0.00 C ATOM 138 O3' DA C 2 4.566 9.114 -4.742 1.00 0.00 O ATOM 139 C2' DA C 2 5.564 7.835 -2.801 1.00 0.00 C ATOM 140 C1' DA C 2 5.794 6.325 -2.945 1.00 0.00 C ATOM 141 N9 DA C 2 6.580 5.704 -1.842 1.00 0.00 N ATOM 142 C8 DA C 2 6.935 6.180 -0.607 1.00 0.00 C ATOM 143 N7 DA C 2 7.627 5.378 0.144 1.00 0.00 N ATOM 144 C5 DA C 2 7.753 4.250 -0.661 1.00 0.00 C ATOM 145 C6 DA C 2 8.366 3.006 -0.455 1.00 0.00 C ATOM 146 N6 DA C 2 9.008 2.696 0.671 1.00 0.00 N ATOM 147 N1 DA C 2 8.285 2.107 -1.447 1.00 0.00 N ATOM 148 C2 DA C 2 7.643 2.418 -2.565 1.00 0.00 C ATOM 149 N3 DA C 2 7.029 3.547 -2.878 1.00 0.00 N ATOM 150 C4 DA C 2 7.123 4.436 -1.865 1.00 0.00 C ATOM 0 H5' DA C 2 7.331 6.666 -6.732 1.00 0.00 H new ATOM 0 H5'' DA C 2 6.800 8.335 -6.798 1.00 0.00 H new ATOM 0 H4' DA C 2 5.251 6.964 -5.662 1.00 0.00 H new ATOM 0 H3' DA C 2 6.449 9.263 -4.175 1.00 0.00 H new ATOM 0 H2' DA C 2 6.283 8.270 -2.107 1.00 0.00 H new ATOM 0 H2'' DA C 2 4.571 8.037 -2.400 1.00 0.00 H new ATOM 0 H1' DA C 2 4.842 5.795 -2.931 1.00 0.00 H new ATOM 0 H8 DA C 2 6.654 7.169 -0.276 1.00 0.00 H new ATOM 0 H61 DA C 2 9.439 1.778 0.776 1.00 0.00 H new ATOM 0 H62 DA C 2 9.068 3.377 1.428 1.00 0.00 H new ATOM 0 H2 DA C 2 7.618 1.647 -3.321 1.00 0.00 H new ATOM 162 P DT C 3 3.494 9.992 -3.901 1.00 0.00 P ATOM 163 OP1 DT C 3 2.723 10.824 -4.851 1.00 0.00 O ATOM 164 OP2 DT C 3 4.183 10.624 -2.755 1.00 0.00 O ATOM 165 O5' DT C 3 2.533 8.826 -3.336 1.00 0.00 O ATOM 166 C5' DT C 3 2.125 7.825 -4.270 1.00 0.00 C ATOM 167 C4' DT C 3 1.221 6.748 -3.730 1.00 0.00 C ATOM 168 O4' DT C 3 1.736 6.033 -2.603 1.00 0.00 O ATOM 169 C3' DT C 3 -0.121 7.251 -3.285 1.00 0.00 C ATOM 170 O3' DT C 3 -0.785 7.512 -4.528 1.00 0.00 O ATOM 171 C2' DT C 3 -0.670 6.070 -2.432 1.00 0.00 C ATOM 172 C1' DT C 3 0.632 5.289 -2.055 1.00 0.00 C ATOM 173 N1 DT C 3 0.825 4.958 -0.628 1.00 0.00 N ATOM 174 C2 DT C 3 1.136 3.638 -0.300 1.00 0.00 C ATOM 175 O2 DT C 3 1.225 2.739 -1.134 1.00 0.00 O ATOM 176 N3 DT C 3 1.339 3.374 1.032 1.00 0.00 N ATOM 177 C4 DT C 3 1.256 4.302 2.061 1.00 0.00 C ATOM 178 O4 DT C 3 1.466 3.950 3.218 1.00 0.00 O ATOM 179 C5 DT C 3 0.922 5.654 1.641 1.00 0.00 C ATOM 180 C7 DT C 3 0.814 6.750 2.730 1.00 0.00 C ATOM 181 C6 DT C 3 0.719 5.931 0.321 1.00 0.00 C ATOM 0 H5' DT C 3 3.018 7.351 -4.678 1.00 0.00 H new ATOM 0 H5'' DT C 3 1.617 8.316 -5.100 1.00 0.00 H new ATOM 0 H4' DT C 3 1.142 6.091 -4.596 1.00 0.00 H new ATOM 0 H3' DT C 3 -0.198 8.152 -2.676 1.00 0.00 H new ATOM 0 H2' DT C 3 -1.203 6.421 -1.548 1.00 0.00 H new ATOM 0 H2'' DT C 3 -1.365 5.450 -2.998 1.00 0.00 H new ATOM 0 H1' DT C 3 0.550 4.292 -2.488 1.00 0.00 H new ATOM 0 H3 DT C 3 1.571 2.414 1.287 1.00 0.00 H new ATOM 0 H71 DT C 3 1.090 7.715 2.304 1.00 0.00 H new ATOM 0 H72 DT C 3 -0.210 6.796 3.100 1.00 0.00 H new ATOM 0 H73 DT C 3 1.487 6.512 3.554 1.00 0.00 H new ATOM 0 H6 DT C 3 0.470 6.939 0.022 1.00 0.00 H new ATOM 194 P DA C 4 -2.309 7.945 -4.714 1.00 0.00 P ATOM 195 OP1 DA C 4 -2.548 8.217 -6.149 1.00 0.00 O ATOM 196 OP2 DA C 4 -2.645 8.972 -3.701 1.00 0.00 O ATOM 197 O5' DA C 4 -3.021 6.556 -4.329 1.00 0.00 O ATOM 198 C5' DA C 4 -4.009 6.547 -3.308 1.00 0.00 C ATOM 199 C4' DA C 4 -4.670 5.189 -3.140 1.00 0.00 C ATOM 200 O4' DA C 4 -3.809 4.519 -2.204 1.00 0.00 O ATOM 201 C3' DA C 4 -6.059 5.345 -2.489 1.00 0.00 C ATOM 202 O3' DA C 4 -7.046 4.396 -2.939 1.00 0.00 O ATOM 203 C2' DA C 4 -5.697 5.209 -1.030 1.00 0.00 C ATOM 204 C1' DA C 4 -4.549 4.200 -1.025 1.00 0.00 C ATOM 205 N9 DA C 4 -3.714 4.270 0.214 1.00 0.00 N ATOM 206 C8 DA C 4 -3.492 5.300 1.111 1.00 0.00 C ATOM 207 N7 DA C 4 -2.720 5.036 2.109 1.00 0.00 N ATOM 208 C5 DA C 4 -2.379 3.713 1.882 1.00 0.00 C ATOM 209 C6 DA C 4 -1.644 2.813 2.642 1.00 0.00 C ATOM 210 N6 DA C 4 -1.050 3.169 3.775 1.00 0.00 N ATOM 211 N1 DA C 4 -1.565 1.554 2.202 1.00 0.00 N ATOM 212 C2 DA C 4 -2.175 1.201 1.083 1.00 0.00 C ATOM 213 N3 DA C 4 -2.902 1.958 0.274 1.00 0.00 N ATOM 214 C4 DA C 4 -2.968 3.230 0.740 1.00 0.00 C ATOM 0 H5' DA C 4 -4.771 7.291 -3.540 1.00 0.00 H new ATOM 0 H5'' DA C 4 -3.552 6.843 -2.364 1.00 0.00 H new ATOM 0 H4' DA C 4 -4.801 4.668 -4.088 1.00 0.00 H new ATOM 0 H3' DA C 4 -6.560 6.279 -2.744 1.00 0.00 H new ATOM 0 H2' DA C 4 -5.390 6.164 -0.604 1.00 0.00 H new ATOM 0 H2'' DA C 4 -6.542 4.854 -0.441 1.00 0.00 H new ATOM 0 H1' DA C 4 -4.909 3.171 -1.024 1.00 0.00 H new ATOM 0 H8 DA C 4 -3.942 6.273 0.982 1.00 0.00 H new ATOM 0 H61 DA C 4 -0.517 2.482 4.309 1.00 0.00 H new ATOM 0 H62 DA C 4 -1.126 4.129 4.111 1.00 0.00 H new ATOM 0 H2 DA C 4 -2.067 0.167 0.792 1.00 0.00 H new ATOM 226 P DT C 5 -8.485 4.921 -3.494 1.00 0.00 P ATOM 227 OP1 DT C 5 -8.335 6.341 -3.883 1.00 0.00 O ATOM 228 OP2 DT C 5 -9.544 4.553 -2.531 1.00 0.00 O ATOM 229 O5' DT C 5 -8.746 4.087 -4.847 1.00 0.00 O ATOM 230 C5' DT C 5 -8.541 2.679 -5.031 1.00 0.00 C ATOM 231 C4' DT C 5 -9.259 1.744 -4.051 1.00 0.00 C ATOM 232 O4' DT C 5 -8.772 1.849 -2.699 1.00 0.00 O ATOM 233 C3' DT C 5 -10.783 1.871 -3.990 1.00 0.00 C ATOM 234 O3' DT C 5 -11.335 0.798 -4.771 1.00 0.00 O ATOM 235 C2' DT C 5 -11.092 1.783 -2.458 1.00 0.00 C ATOM 236 C1' DT C 5 -9.770 1.343 -1.795 1.00 0.00 C ATOM 237 N1 DT C 5 -9.511 1.893 -0.426 1.00 0.00 N ATOM 238 C2 DT C 5 -9.231 0.975 0.574 1.00 0.00 C ATOM 239 O2 DT C 5 -9.201 -0.239 0.388 1.00 0.00 O ATOM 240 N3 DT C 5 -8.982 1.502 1.822 1.00 0.00 N ATOM 241 C4 DT C 5 -8.983 2.833 2.176 1.00 0.00 C ATOM 242 O4 DT C 5 -8.732 3.138 3.339 1.00 0.00 O ATOM 243 C5 DT C 5 -9.284 3.747 1.094 1.00 0.00 C ATOM 244 C7 DT C 5 -9.311 5.274 1.427 1.00 0.00 C ATOM 245 C6 DT C 5 -9.533 3.245 -0.157 1.00 0.00 C ATOM 0 H5' DT C 5 -7.471 2.480 -4.969 1.00 0.00 H new ATOM 0 H5'' DT C 5 -8.855 2.419 -6.042 1.00 0.00 H new ATOM 0 H4' DT C 5 -9.019 0.772 -4.481 1.00 0.00 H new ATOM 0 H3' DT C 5 -11.211 2.786 -4.399 1.00 0.00 H new ATOM 0 H2' DT C 5 -11.425 2.745 -2.069 1.00 0.00 H new ATOM 0 H2'' DT C 5 -11.888 1.066 -2.259 1.00 0.00 H new ATOM 0 H1' DT C 5 -9.781 0.264 -1.640 1.00 0.00 H new ATOM 0 H3 DT C 5 -8.774 0.834 2.564 1.00 0.00 H new ATOM 0 H71 DT C 5 -9.017 5.844 0.545 1.00 0.00 H new ATOM 0 H72 DT C 5 -10.318 5.563 1.727 1.00 0.00 H new ATOM 0 H73 DT C 5 -8.616 5.481 2.241 1.00 0.00 H new ATOM 0 H6 DT C 5 -9.754 3.933 -0.960 1.00 0.00 H new ATOM 258 P DC C 6 -12.869 0.302 -4.710 1.00 0.00 P ATOM 259 OP1 DC C 6 -13.193 -0.388 -5.979 1.00 0.00 O ATOM 260 OP2 DC C 6 -13.720 1.415 -4.229 1.00 0.00 O ATOM 261 O5' DC C 6 -12.736 -0.801 -3.548 1.00 0.00 O ATOM 262 C5' DC C 6 -13.751 -1.064 -2.578 1.00 0.00 C ATOM 263 C4' DC C 6 -13.188 -1.959 -1.475 1.00 0.00 C ATOM 264 O4' DC C 6 -12.091 -1.324 -0.814 1.00 0.00 O ATOM 265 C3' DC C 6 -14.211 -2.281 -0.406 1.00 0.00 C ATOM 266 O3' DC C 6 -15.105 -3.313 -0.831 1.00 0.00 O ATOM 267 C2' DC C 6 -13.240 -2.788 0.632 1.00 0.00 C ATOM 268 C1' DC C 6 -12.004 -1.886 0.504 1.00 0.00 C ATOM 269 N1 DC C 6 -11.848 -0.857 1.566 1.00 0.00 N ATOM 270 C2 DC C 6 -11.267 -1.228 2.778 1.00 0.00 C ATOM 271 O2 DC C 6 -10.887 -2.377 3.003 1.00 0.00 O ATOM 272 N3 DC C 6 -11.126 -0.280 3.736 1.00 0.00 N ATOM 273 C4 DC C 6 -11.530 0.978 3.537 1.00 0.00 C ATOM 274 N4 DC C 6 -11.358 1.868 4.514 1.00 0.00 N ATOM 275 C5 DC C 6 -12.131 1.383 2.300 1.00 0.00 C ATOM 276 C6 DC C 6 -12.268 0.428 1.343 1.00 0.00 C ATOM 0 H5' DC C 6 -14.605 -1.548 -3.052 1.00 0.00 H new ATOM 0 H5'' DC C 6 -14.112 -0.128 -2.152 1.00 0.00 H new ATOM 0 H4' DC C 6 -12.878 -2.876 -1.976 1.00 0.00 H new ATOM 0 H3' DC C 6 -14.876 -1.472 -0.104 1.00 0.00 H new ATOM 0 H2' DC C 6 -13.668 -2.730 1.633 1.00 0.00 H new ATOM 0 H2'' DC C 6 -12.985 -3.833 0.455 1.00 0.00 H new ATOM 0 HO3' DC C 6 -15.752 -3.499 -0.119 1.00 0.00 H new ATOM 0 H1' DC C 6 -11.099 -2.476 0.647 1.00 0.00 H new ATOM 0 H41 DC C 6 -11.659 2.834 4.383 1.00 0.00 H new ATOM 0 H42 DC C 6 -10.925 1.583 5.393 1.00 0.00 H new ATOM 0 H5 DC C 6 -12.459 2.399 2.136 1.00 0.00 H new ATOM 0 H6 DC C 6 -12.714 0.685 0.394 1.00 0.00 H new TER 289 DC C 6 ATOM 290 O5' DG D 1 -8.754 -2.562 14.198 1.00 0.00 O ATOM 291 C5' DG D 1 -7.589 -3.154 13.622 1.00 0.00 C ATOM 292 C4' DG D 1 -7.940 -4.322 12.698 1.00 0.00 C ATOM 293 O4' DG D 1 -8.823 -3.896 11.636 1.00 0.00 O ATOM 294 C3' DG D 1 -6.700 -4.905 12.031 1.00 0.00 C ATOM 295 O3' DG D 1 -6.782 -6.297 11.657 1.00 0.00 O ATOM 296 C2' DG D 1 -6.606 -3.912 10.871 1.00 0.00 C ATOM 297 C1' DG D 1 -8.079 -3.769 10.405 1.00 0.00 C ATOM 298 N9 DG D 1 -8.433 -2.486 9.748 1.00 0.00 N ATOM 299 C8 DG D 1 -8.406 -1.212 10.242 1.00 0.00 C ATOM 300 N7 DG D 1 -8.800 -0.274 9.436 1.00 0.00 N ATOM 301 C5 DG D 1 -9.126 -0.986 8.284 1.00 0.00 C ATOM 302 C6 DG D 1 -9.654 -0.519 7.053 1.00 0.00 C ATOM 303 O6 DG D 1 -9.921 0.631 6.714 1.00 0.00 O ATOM 304 N1 DG D 1 -9.881 -1.551 6.162 1.00 0.00 N ATOM 305 C2 DG D 1 -9.633 -2.885 6.412 1.00 0.00 C ATOM 306 N2 DG D 1 -9.912 -3.736 5.421 1.00 0.00 N ATOM 307 N3 DG D 1 -9.135 -3.333 7.572 1.00 0.00 N ATOM 308 C4 DG D 1 -8.906 -2.333 8.460 1.00 0.00 C ATOM 0 H5' DG D 1 -6.930 -3.505 14.416 1.00 0.00 H new ATOM 0 H5'' DG D 1 -7.038 -2.400 13.060 1.00 0.00 H new ATOM 0 H4' DG D 1 -8.419 -5.071 13.328 1.00 0.00 H new ATOM 0 H3' DG D 1 -5.816 -4.979 12.664 1.00 0.00 H new ATOM 0 H2' DG D 1 -6.191 -2.957 11.192 1.00 0.00 H new ATOM 0 H2'' DG D 1 -5.966 -4.286 10.072 1.00 0.00 H new ATOM 0 HO5' DG D 1 -8.490 -1.821 14.783 1.00 0.00 H new ATOM 0 H1' DG D 1 -8.291 -4.511 9.635 1.00 0.00 H new ATOM 0 H8 DG D 1 -8.075 -0.998 11.247 1.00 0.00 H new ATOM 0 H1 DG D 1 -10.262 -1.307 5.248 1.00 0.00 H new ATOM 0 H21 DG D 1 -9.750 -4.735 5.546 1.00 0.00 H new ATOM 0 H22 DG D 1 -10.287 -3.387 4.539 1.00 0.00 H new ATOM 321 P DA D 2 -7.831 -7.027 10.663 1.00 0.00 P ATOM 322 OP1 DA D 2 -9.203 -6.612 11.031 1.00 0.00 O ATOM 323 OP2 DA D 2 -7.486 -8.465 10.629 1.00 0.00 O ATOM 324 O5' DA D 2 -7.481 -6.393 9.216 1.00 0.00 O ATOM 325 C5' DA D 2 -7.859 -7.061 8.005 1.00 0.00 C ATOM 326 C4' DA D 2 -7.071 -6.579 6.785 1.00 0.00 C ATOM 327 O4' DA D 2 -7.347 -5.210 6.398 1.00 0.00 O ATOM 328 C3' DA D 2 -5.555 -6.683 7.011 1.00 0.00 C ATOM 329 O3' DA D 2 -4.917 -7.637 6.146 1.00 0.00 O ATOM 330 C2' DA D 2 -5.109 -5.219 6.882 1.00 0.00 C ATOM 331 C1' DA D 2 -6.134 -4.567 5.960 1.00 0.00 C ATOM 332 N9 DA D 2 -6.264 -3.087 6.067 1.00 0.00 N ATOM 333 C8 DA D 2 -5.889 -2.223 7.059 1.00 0.00 C ATOM 334 N7 DA D 2 -6.142 -0.967 6.863 1.00 0.00 N ATOM 335 C5 DA D 2 -6.749 -0.981 5.613 1.00 0.00 C ATOM 336 C6 DA D 2 -7.355 0.028 4.855 1.00 0.00 C ATOM 337 N6 DA D 2 -7.352 1.313 5.212 1.00 0.00 N ATOM 338 N1 DA D 2 -7.958 -0.340 3.718 1.00 0.00 N ATOM 339 C2 DA D 2 -7.967 -1.612 3.351 1.00 0.00 C ATOM 340 N3 DA D 2 -7.434 -2.652 3.976 1.00 0.00 N ATOM 341 C4 DA D 2 -6.830 -2.260 5.120 1.00 0.00 C ATOM 0 H5' DA D 2 -8.923 -6.906 7.828 1.00 0.00 H new ATOM 0 H5'' DA D 2 -7.709 -8.134 8.127 1.00 0.00 H new ATOM 0 H4' DA D 2 -7.403 -7.242 5.986 1.00 0.00 H new ATOM 0 H3' DA D 2 -5.262 -7.097 7.976 1.00 0.00 H new ATOM 0 H2' DA D 2 -5.086 -4.728 7.855 1.00 0.00 H new ATOM 0 H2'' DA D 2 -4.104 -5.149 6.465 1.00 0.00 H new ATOM 0 H1' DA D 2 -5.860 -4.695 4.913 1.00 0.00 H new ATOM 0 H8 DA D 2 -5.406 -2.570 7.961 1.00 0.00 H new ATOM 0 H61 DA D 2 -7.809 2.007 4.621 1.00 0.00 H new ATOM 0 H62 DA D 2 -6.892 1.601 6.076 1.00 0.00 H new ATOM 0 H2 DA D 2 -8.474 -1.830 2.423 1.00 0.00 H new ATOM 353 P DT D 3 -4.564 -7.429 4.588 1.00 0.00 P ATOM 354 OP1 DT D 3 -5.719 -6.796 3.912 1.00 0.00 O ATOM 355 OP2 DT D 3 -4.004 -8.694 4.062 1.00 0.00 O ATOM 356 O5' DT D 3 -3.381 -6.350 4.691 1.00 0.00 O ATOM 357 C5' DT D 3 -2.070 -6.653 5.179 1.00 0.00 C ATOM 358 C4' DT D 3 -1.068 -6.083 4.214 1.00 0.00 C ATOM 359 O4' DT D 3 -1.270 -4.682 4.084 1.00 0.00 O ATOM 360 C3' DT D 3 0.376 -6.262 4.615 1.00 0.00 C ATOM 361 O3' DT D 3 0.704 -7.598 4.208 1.00 0.00 O ATOM 362 C2' DT D 3 1.088 -5.100 3.864 1.00 0.00 C ATOM 363 C1' DT D 3 -0.061 -4.078 3.615 1.00 0.00 C ATOM 364 N1 DT D 3 0.007 -2.712 4.159 1.00 0.00 N ATOM 365 C2 DT D 3 -0.485 -1.708 3.331 1.00 0.00 C ATOM 366 O2 DT D 3 -0.894 -1.916 2.190 1.00 0.00 O ATOM 367 N3 DT D 3 -0.486 -0.446 3.843 1.00 0.00 N ATOM 368 C4 DT D 3 -0.041 -0.081 5.101 1.00 0.00 C ATOM 369 O4 DT D 3 -0.107 1.094 5.446 1.00 0.00 O ATOM 370 C5 DT D 3 0.465 -1.178 5.910 1.00 0.00 C ATOM 371 C7 DT D 3 0.976 -0.858 7.331 1.00 0.00 C ATOM 372 C6 DT D 3 0.474 -2.449 5.414 1.00 0.00 C ATOM 0 H5' DT D 3 -1.938 -7.731 5.272 1.00 0.00 H new ATOM 0 H5'' DT D 3 -1.926 -6.228 6.172 1.00 0.00 H new ATOM 0 H4' DT D 3 -1.236 -6.636 3.290 1.00 0.00 H new ATOM 0 H3' DT D 3 0.652 -6.195 5.667 1.00 0.00 H new ATOM 0 H2' DT D 3 1.890 -4.666 4.462 1.00 0.00 H new ATOM 0 H2'' DT D 3 1.535 -5.439 2.929 1.00 0.00 H new ATOM 0 H1' DT D 3 0.016 -3.890 2.544 1.00 0.00 H new ATOM 0 H3 DT D 3 -0.847 0.297 3.245 1.00 0.00 H new ATOM 0 H71 DT D 3 0.819 -1.721 7.977 1.00 0.00 H new ATOM 0 H72 DT D 3 2.040 -0.624 7.291 1.00 0.00 H new ATOM 0 H73 DT D 3 0.431 -0.002 7.730 1.00 0.00 H new ATOM 0 H6 DT D 3 0.855 -3.256 6.022 1.00 0.00 H new ATOM 385 P DA D 4 2.189 -8.188 4.122 1.00 0.00 P ATOM 386 OP1 DA D 4 2.110 -9.595 3.669 1.00 0.00 O ATOM 387 OP2 DA D 4 2.912 -7.843 5.370 1.00 0.00 O ATOM 388 O5' DA D 4 2.755 -7.308 2.904 1.00 0.00 O ATOM 389 C5' DA D 4 4.056 -6.749 2.972 1.00 0.00 C ATOM 390 C4' DA D 4 4.414 -5.960 1.729 1.00 0.00 C ATOM 391 O4' DA D 4 3.736 -4.705 1.927 1.00 0.00 O ATOM 392 C3' DA D 4 5.929 -5.684 1.700 1.00 0.00 C ATOM 393 O3' DA D 4 6.544 -5.803 0.404 1.00 0.00 O ATOM 394 C2' DA D 4 5.973 -4.291 2.280 1.00 0.00 C ATOM 395 C1' DA D 4 4.673 -3.634 1.812 1.00 0.00 C ATOM 396 N9 DA D 4 4.269 -2.454 2.644 1.00 0.00 N ATOM 397 C8 DA D 4 4.606 -2.083 3.938 1.00 0.00 C ATOM 398 N7 DA D 4 4.085 -0.993 4.382 1.00 0.00 N ATOM 399 C5 DA D 4 3.319 -0.566 3.310 1.00 0.00 C ATOM 400 C6 DA D 4 2.520 0.558 3.150 1.00 0.00 C ATOM 401 N6 DA D 4 2.380 1.458 4.118 1.00 0.00 N ATOM 402 N1 DA D 4 1.901 0.711 1.978 1.00 0.00 N ATOM 403 C2 DA D 4 2.066 -0.194 1.026 1.00 0.00 C ATOM 404 N3 DA D 4 2.799 -1.304 1.045 1.00 0.00 N ATOM 405 C4 DA D 4 3.413 -1.435 2.246 1.00 0.00 C ATOM 0 H5' DA D 4 4.784 -7.548 3.114 1.00 0.00 H new ATOM 0 H5'' DA D 4 4.123 -6.098 3.844 1.00 0.00 H new ATOM 0 H4' DA D 4 4.143 -6.479 0.809 1.00 0.00 H new ATOM 0 H3' DA D 4 6.515 -6.418 2.253 1.00 0.00 H new ATOM 0 H2' DA D 4 6.034 -4.317 3.368 1.00 0.00 H new ATOM 0 H2'' DA D 4 6.845 -3.741 1.925 1.00 0.00 H new ATOM 0 H1' DA D 4 4.754 -3.216 0.809 1.00 0.00 H new ATOM 0 H8 DA D 4 5.273 -2.680 4.543 1.00 0.00 H new ATOM 0 H61 DA D 4 1.786 2.275 3.973 1.00 0.00 H new ATOM 0 H62 DA D 4 2.866 1.332 5.006 1.00 0.00 H new ATOM 0 H2 DA D 4 1.532 -0.005 0.107 1.00 0.00 H new ATOM 417 P DT D 5 7.614 -7.004 0.168 1.00 0.00 P ATOM 418 OP1 DT D 5 6.885 -8.289 0.258 1.00 0.00 O ATOM 419 OP2 DT D 5 8.771 -6.763 1.058 1.00 0.00 O ATOM 420 O5' DT D 5 8.125 -6.824 -1.342 1.00 0.00 O ATOM 421 C5' DT D 5 7.253 -6.944 -2.469 1.00 0.00 C ATOM 422 C4' DT D 5 7.576 -5.871 -3.497 1.00 0.00 C ATOM 423 O4' DT D 5 7.520 -4.601 -2.817 1.00 0.00 O ATOM 424 C3' DT D 5 8.982 -6.028 -4.118 1.00 0.00 C ATOM 425 O3' DT D 5 8.990 -5.747 -5.528 1.00 0.00 O ATOM 426 C2' DT D 5 9.763 -4.923 -3.394 1.00 0.00 C ATOM 427 C1' DT D 5 8.698 -3.845 -3.103 1.00 0.00 C ATOM 428 N1 DT D 5 9.006 -2.896 -1.983 1.00 0.00 N ATOM 429 C2 DT D 5 8.892 -1.541 -2.274 1.00 0.00 C ATOM 430 O2 DT D 5 8.561 -1.114 -3.381 1.00 0.00 O ATOM 431 N3 DT D 5 9.178 -0.673 -1.245 1.00 0.00 N ATOM 432 C4 DT D 5 9.567 -1.011 0.035 1.00 0.00 C ATOM 433 O4 DT D 5 9.786 -0.113 0.842 1.00 0.00 O ATOM 434 C5 DT D 5 9.671 -2.435 0.290 1.00 0.00 C ATOM 435 C7 DT D 5 10.132 -2.865 1.719 1.00 0.00 C ATOM 436 C6 DT D 5 9.386 -3.324 -0.718 1.00 0.00 C ATOM 0 H5' DT D 5 6.216 -6.850 -2.148 1.00 0.00 H new ATOM 0 H5'' DT D 5 7.359 -7.932 -2.917 1.00 0.00 H new ATOM 0 H4' DT D 5 6.856 -5.952 -4.312 1.00 0.00 H new ATOM 0 H3' DT D 5 9.375 -7.039 -4.012 1.00 0.00 H new ATOM 0 H2' DT D 5 10.219 -5.292 -2.475 1.00 0.00 H new ATOM 0 H2'' DT D 5 10.569 -4.531 -4.015 1.00 0.00 H new ATOM 0 H1' DT D 5 8.618 -3.174 -3.958 1.00 0.00 H new ATOM 0 H3 DT D 5 9.094 0.323 -1.450 1.00 0.00 H new ATOM 0 H71 DT D 5 9.688 -3.828 1.970 1.00 0.00 H new ATOM 0 H72 DT D 5 11.219 -2.949 1.741 1.00 0.00 H new ATOM 0 H73 DT D 5 9.811 -2.118 2.445 1.00 0.00 H new ATOM 0 H6 DT D 5 9.459 -4.383 -0.521 1.00 0.00 H new ATOM 449 P DC D 6 9.752 -6.716 -6.580 1.00 0.00 P ATOM 450 OP1 DC D 6 9.675 -6.096 -7.921 1.00 0.00 O ATOM 451 OP2 DC D 6 9.246 -8.092 -6.380 1.00 0.00 O ATOM 452 O5' DC D 6 11.294 -6.678 -6.081 1.00 0.00 O ATOM 453 C5' DC D 6 12.328 -5.797 -6.558 1.00 0.00 C ATOM 454 C4' DC D 6 11.889 -4.331 -6.692 1.00 0.00 C ATOM 455 O4' DC D 6 11.374 -3.827 -5.461 1.00 0.00 O ATOM 456 C3' DC D 6 13.032 -3.408 -7.071 1.00 0.00 C ATOM 457 O3' DC D 6 13.344 -3.474 -8.466 1.00 0.00 O ATOM 458 C2' DC D 6 12.357 -2.105 -6.736 1.00 0.00 C ATOM 459 C1' DC D 6 11.483 -2.399 -5.507 1.00 0.00 C ATOM 460 N1 DC D 6 11.914 -1.810 -4.212 1.00 0.00 N ATOM 461 C2 DC D 6 11.457 -0.537 -3.885 1.00 0.00 C ATOM 462 O2 DC D 6 10.730 0.108 -4.638 1.00 0.00 O ATOM 463 N3 DC D 6 11.836 -0.007 -2.698 1.00 0.00 N ATOM 464 C4 DC D 6 12.626 -0.677 -1.855 1.00 0.00 C ATOM 465 N4 DC D 6 12.960 -0.103 -0.700 1.00 0.00 N ATOM 466 C5 DC D 6 13.113 -1.985 -2.167 1.00 0.00 C ATOM 467 C6 DC D 6 12.728 -2.512 -3.362 1.00 0.00 C ATOM 0 H5' DC D 6 12.674 -6.152 -7.529 1.00 0.00 H new ATOM 0 H5'' DC D 6 13.178 -5.850 -5.878 1.00 0.00 H new ATOM 0 H4' DC D 6 11.131 -4.339 -7.475 1.00 0.00 H new ATOM 0 H3' DC D 6 13.985 -3.613 -6.584 1.00 0.00 H new ATOM 0 H2' DC D 6 13.090 -1.328 -6.519 1.00 0.00 H new ATOM 0 H2'' DC D 6 11.753 -1.750 -7.571 1.00 0.00 H new ATOM 0 HO3' DC D 6 14.084 -2.863 -8.665 1.00 0.00 H new ATOM 0 H1' DC D 6 10.523 -1.898 -5.634 1.00 0.00 H new ATOM 0 H41 DC D 6 13.562 -0.596 -0.041 1.00 0.00 H new ATOM 0 H42 DC D 6 12.613 0.830 -0.475 1.00 0.00 H new ATOM 0 H5 DC D 6 13.754 -2.528 -1.488 1.00 0.00 H new ATOM 0 H6 DC D 6 13.069 -3.497 -3.644 1.00 0.00 H new TER 480 DC D 6 HETATM 481 N1 QUI A 0 -4.752 -0.503 2.263 1.00 0.00 N HETATM 482 C2 QUI A 0 -5.104 0.770 2.004 1.00 0.00 C HETATM 483 C3 QUI A 0 -4.844 1.782 2.938 1.00 0.00 C HETATM 484 N4 QUI A 0 -4.235 1.508 4.106 1.00 0.00 N HETATM 485 C5 QUI A 0 -3.248 -0.048 5.562 1.00 0.00 C HETATM 486 C6 QUI A 0 -2.866 -1.358 5.848 1.00 0.00 C HETATM 487 C7 QUI A 0 -3.121 -2.395 4.929 1.00 0.00 C HETATM 488 C8 QUI A 0 -3.764 -2.090 3.717 1.00 0.00 C HETATM 489 C9 QUI A 0 -4.144 -0.777 3.430 1.00 0.00 C HETATM 490 C10 QUI A 0 -3.884 0.232 4.354 1.00 0.00 C HETATM 491 C QUI A 0 -5.758 1.047 0.705 1.00 0.00 C HETATM 492 O1 QUI A 0 -6.539 2.003 0.583 1.00 0.00 O HETATM 0 H8 QUI A 0 -3.967 -2.883 2.997 1.00 0.00 H new HETATM 0 H7 QUI A 0 -2.824 -3.419 5.155 1.00 0.00 H new HETATM 0 H6 QUI A 0 -2.366 -1.582 6.790 1.00 0.00 H new HETATM 0 H5 QUI A 0 -3.051 0.751 6.277 1.00 0.00 H new HETATM 0 H3 QUI A 0 -5.140 2.807 2.715 1.00 0.00 H new HETATM 498 N1 QUI A 9 4.961 1.414 -0.732 1.00 0.00 N HETATM 499 C2 QUI A 9 5.459 0.425 0.032 1.00 0.00 C HETATM 500 C3 QUI A 9 5.695 0.633 1.396 1.00 0.00 C HETATM 501 N4 QUI A 9 5.432 1.816 1.976 1.00 0.00 N HETATM 502 C5 QUI A 9 4.657 4.025 1.807 1.00 0.00 C HETATM 503 C6 QUI A 9 4.143 5.063 1.037 1.00 0.00 C HETATM 504 C7 QUI A 9 3.900 4.884 -0.337 1.00 0.00 C HETATM 505 C8 QUI A 9 4.181 3.639 -0.925 1.00 0.00 C HETATM 506 C9 QUI A 9 4.697 2.598 -0.152 1.00 0.00 C HETATM 507 C10 QUI A 9 4.932 2.799 1.206 1.00 0.00 C HETATM 508 C QUI A 9 5.745 -0.873 -0.619 1.00 0.00 C HETATM 509 O1 QUI A 9 6.667 -1.590 -0.200 1.00 0.00 O HETATM 0 H8 QUI A 9 3.995 3.486 -1.988 1.00 0.00 H new HETATM 0 H7 QUI A 9 3.499 5.700 -0.938 1.00 0.00 H new HETATM 0 H6 QUI A 9 3.926 6.024 1.503 1.00 0.00 H new HETATM 0 H5 QUI A 9 4.843 4.170 2.871 1.00 0.00 H new HETATM 0 H3 QUI A 9 6.100 -0.180 1.999 1.00 0.00 H new