PDB Code: A85
X-PLOR files
Heterogen file generated from the file hetero.pdb
COMPND A85 A-79285 (DIFLUOROKETONE INHIBITOR)
REMARK A85 Extracted from PDB file 1dif.pdb
REMARK A85 Formula C44 H56 N8 O6 F2
REMARK A85 Nr of non-hydrogen atoms 60
REMARK A85 Residue type A85
REMARK A85 Residue name 69
REMARK A85 Original residue name (for O) $1
REMARK 2 RESOLUTION. 1.70 ANGSTROMS. 1DIF 22 A85
HETATM 1 C1 A85 69 -1.719 4.784 -3.821 1.00 20.00 1DIF
HETATM 2 O2 A85 69 -1.932 5.463 -2.835 1.00 20.00 1DIF
HETATM 3 N3 A85 69 -1.154 5.328 -4.925 1.00 20.00 1DIF
HETATM 4 C4 A85 69 -0.734 4.581 -6.103 1.00 20.00 1DIF
HETATM 5 C5 A85 69 -0.882 6.737 -4.956 1.00 20.00 1DIF
HETATM 6 C6 A85 69 0.463 7.041 -4.349 1.00 20.00 1DIF
HETATM 7 C7 A85 69 0.609 7.102 -2.938 1.00 20.00 1DIF
HETATM 8 N8 A85 69 1.473 7.290 -5.218 1.00 20.00 1DIF
HETATM 9 C9 A85 69 1.856 7.445 -2.403 1.00 20.00 1DIF
HETATM 10 C10 A85 69 2.658 7.642 -4.669 1.00 20.00 1DIF
HETATM 11 C11 A85 69 2.904 7.730 -3.279 1.00 20.00 1DIF
HETATM 12 N21 A85 69 -2.048 3.478 -3.854 1.00 20.00 1DIF
HETATM 13 C22 A85 69 -2.564 2.795 -2.673 1.00 20.00 1DIF
HETATM 14 C23 A85 69 -1.489 1.864 -2.121 1.00 20.00 1DIF
HETATM 15 O24 A85 69 -1.437 0.664 -2.370 1.00 20.00 1DIF
HETATM 16 C25 A85 69 -3.878 2.080 -2.977 1.00 20.00 1DIF
HETATM 17 C26 A85 69 -4.400 1.351 -1.732 1.00 20.00 1DIF
HETATM 18 C27 A85 69 -4.963 3.042 -3.503 1.00 20.00 1DIF
HETATM 19 N37 A85 69 -0.619 2.484 -1.324 1.00 20.00 1DIF
HETATM 20 C38 A85 69 0.327 1.744 -0.487 1.00 20.00 1DIF
HETATM 21 C39 A85 69 1.668 2.446 -0.503 1.00 20.00 1DIF
HETATM 22 C40 A85 69 2.101 2.535 -1.913 1.00 20.00 1DIF
HETATM 23 C41 A85 69 1.872 3.706 -2.636 1.00 20.00 1DIF
HETATM 24 C42 A85 69 2.228 3.766 -3.984 1.00 20.00 1DIF
HETATM 25 C43 A85 69 2.801 2.651 -4.597 1.00 20.00 1DIF
HETATM 26 C44 A85 69 3.036 1.481 -3.867 1.00 20.00 1DIF
HETATM 27 C45 A85 69 2.689 1.423 -2.527 1.00 20.00 1DIF
HETATM 28 C46 A85 69 -0.259 1.613 0.922 1.00 20.00 1DIF
HETATM 29 F1 A85 69 -0.100 2.768 1.605 1.00 20.00 1DIF
HETATM 30 F2 A85 69 -1.599 1.485 0.882 1.00 20.00 1DIF
HETATM 31 C49 A85 69 0.261 0.465 1.799 1.00 20.00 1DIF
HETATM 32 O47 A85 69 1.638 0.392 1.620 1.00 20.00 1DIF
HETATM 33 O48 A85 69 0.050 0.786 3.136 1.00 20.00 1DIF
HETATM 34 N50 A85 69 0.582 -1.911 1.902 1.00 20.00 1DIF
HETATM 35 C51 A85 69 -0.365 -0.902 1.461 1.00 20.00 1DIF
HETATM 36 C52 A85 69 -1.752 -1.204 2.068 1.00 20.00 1DIF
HETATM 37 C53 A85 69 -2.121 -2.624 1.760 1.00 20.00 1DIF
HETATM 38 C54 A85 69 -2.567 -2.986 0.481 1.00 20.00 1DIF
HETATM 39 C55 A85 69 -2.844 -4.329 0.170 1.00 20.00 1DIF
HETATM 40 C56 A85 69 -2.664 -5.318 1.133 1.00 20.00 1DIF
HETATM 41 C57 A85 69 -2.220 -4.955 2.403 1.00 20.00 1DIF
HETATM 42 C58 A85 69 -1.955 -3.622 2.721 1.00 20.00 1DIF
HETATM 43 N81 A85 69 1.996 -4.623 2.135 1.00 20.00 1DIF
HETATM 44 C82 A85 69 2.511 -3.323 1.784 1.00 20.00 1DIF
HETATM 45 C83 A85 69 1.418 -2.531 1.073 1.00 20.00 1DIF
HETATM 46 O84 A85 69 1.334 -2.420 -0.132 1.00 20.00 1DIF
HETATM 47 C85 A85 69 3.818 -3.436 1.008 1.00 20.00 1DIF
HETATM 48 C86 A85 69 4.722 -4.377 1.816 1.00 20.00 1DIF
HETATM 49 C87 A85 69 4.468 -2.053 0.765 1.00 20.00 1DIF
HETATM 50 C97 A85 69 1.770 -5.017 3.418 1.00 20.00 1DIF
HETATM 51 O98 A85 69 2.095 -4.327 4.378 1.00 20.00 1DIF
HETATM 52 N99 A85 69 1.204 -6.230 3.618 1.00 20.00 1DIF
HETATM 53 C2 A85 69 0.779 -7.090 2.503 1.00 20.00 1DIF
HETATM 54 C3 A85 69 0.971 -6.717 4.974 1.00 20.00 1DIF
HETATM 55 C8 A85 69 -0.422 -6.353 5.449 1.00 20.00 1DIF
HETATM 56 C12 A85 69 -0.661 -5.086 6.023 1.00 20.00 1DIF
HETATM 57 N10 A85 69 -1.394 -7.280 5.294 1.00 20.00 1DIF
HETATM 58 C13 A85 69 -1.960 -4.776 6.445 1.00 20.00 1DIF
HETATM 59 C14 A85 69 -2.628 -6.960 5.690 1.00 20.00 1DIF
HETATM 60 C15 A85 69 -2.962 -5.734 6.270 1.00 20.00 1DIF
REMARK A85 ENDHET
REMARK