Jun. 5, 14:52:04 2013 [ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ] The following checks were made on : ----------------------------------------- CLOSE CONTACTS ==> Distances smaller than 2.2 Angstroms are considered as close contacts for heavy atoms, 1.6 Angstroms for hydrogens. Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance ------------------------------------------------------------------------- A O HIS 12 - A H GLN 16 12 Dist = 1.52 A O GLU 19 - A H GLN 23 2 Dist = 1.55 A O LEU 40 - A H TYR 44 12 Dist = 1.55 A O THR 4 - A H ARG 52 13 Dist = 1.57 A O LEU 72 - A H ALA 75 19 Dist = 1.58 A O LEU 40 - A H TYR 44 11 Dist = 1.58 A O LEU 40 - A H TYR 44 9 Dist = 1.59 A O ALA 38 - A H SER 42 8 Dist = 1.59 A O ALA 38 - A H SER 42 7 Dist = 1.60 A H ASP 53 - A O ARG 57 4 Dist = 1.60 DISTANCES AND ANGLES We have checked your intra and intermolecular distances and angles with the procedures currently in place at PDB: ==> Bond and angle checks are performed by first computing the average rms error for all bonds and angles relative to standard values for nucleotide units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc. 1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate Bond and Angle Parameters for X-ray protein structure refinement, Acta Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the dictionary values by more than six times this computed rms error is identified as an outlier. *** Covalent Bond Lengths: The RMS deviation for covalent bonds relative to the standard dictionary is 0.012 Angstroms All covalent bonds lie within a 6.0*RMSD range about the standard dictionary values. *** Covalent Angle Values: The RMS deviation for covalent angles relative to the standard dictionary is 1.5 degrees. All covalent bond angles lie within a 6.0*RMSD range about the standard dictionary values. TORSION ANGLES The torsion angle distributions have been checked. The postscript file of the conformation rings showing the torsion angle distributions will be sent in a separate E-mail message. CHIRALITY The chirality has been checked. O1P, O2P, and hydrogen atoms which do not follow the convention defined in the IUBMB (Liebecq, C. Compendium of Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press: London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax, Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich, Recommendations for the Presentation of NMR Structures of Proteins and Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been standardized. Any other stereochemical violations are listed below. E/Z NOMENCLATURE E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs to be corrected to conform with the standard for E/Z orientation presented in [J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142]. Model Chain Residue Residue Atom Name Original Name Number Atom Name ----- ----- ------- ------- -------- --------- 1 A GLN 7 1HE2 1 A GLN 7 2HE2 1 A GLN 16 1HE2 1 A GLN 16 2HE2 1 A GLN 23 1HE2 1 A GLN 23 2HE2 2 A GLN 7 1HE2 2 A GLN 7 2HE2 2 A GLN 16 1HE2 2 A GLN 16 2HE2 2 A GLN 23 1HE2 2 A GLN 23 2HE2 3 A GLN 7 1HE2 3 A GLN 7 2HE2 3 A GLN 16 1HE2 3 A GLN 16 2HE2 3 A GLN 23 1HE2 3 A GLN 23 2HE2 4 A GLN 7 1HE2 4 A GLN 7 2HE2 4 A GLN 16 1HE2 4 A GLN 16 2HE2 4 A GLN 23 1HE2 4 A GLN 23 2HE2 5 A GLN 7 1HE2 5 A GLN 7 2HE2 5 A GLN 16 1HE2 5 A GLN 16 2HE2 5 A GLN 23 1HE2 5 A GLN 23 2HE2 6 A GLN 7 1HE2 6 A GLN 7 2HE2 6 A GLN 16 1HE2 6 A GLN 16 2HE2 6 A GLN 23 1HE2 6 A GLN 23 2HE2 7 A GLN 7 1HE2 7 A GLN 7 2HE2 7 A GLN 16 1HE2 7 A GLN 16 2HE2 7 A GLN 23 1HE2 7 A GLN 23 2HE2 8 A GLN 7 1HE2 8 A GLN 7 2HE2 8 A GLN 16 1HE2 8 A GLN 16 2HE2 8 A GLN 23 1HE2 8 A GLN 23 2HE2 9 A GLN 7 1HE2 9 A GLN 7 2HE2 9 A GLN 16 1HE2 9 A GLN 16 2HE2 9 A GLN 23 1HE2 9 A GLN 23 2HE2 10 A GLN 7 1HE2 10 A GLN 7 2HE2 10 A GLN 16 1HE2 10 A GLN 16 2HE2 10 A GLN 23 1HE2 10 A GLN 23 2HE2 11 A GLN 7 1HE2 11 A GLN 7 2HE2 11 A GLN 16 1HE2 11 A GLN 16 2HE2 11 A GLN 23 1HE2 11 A GLN 23 2HE2 12 A GLN 7 1HE2 12 A GLN 7 2HE2 12 A GLN 16 1HE2 12 A GLN 16 2HE2 12 A GLN 23 1HE2 12 A GLN 23 2HE2 13 A GLN 7 1HE2 13 A GLN 7 2HE2 13 A GLN 16 1HE2 13 A GLN 16 2HE2 13 A GLN 23 1HE2 13 A GLN 23 2HE2 14 A GLN 7 1HE2 14 A GLN 7 2HE2 14 A GLN 16 1HE2 14 A GLN 16 2HE2 14 A GLN 23 1HE2 14 A GLN 23 2HE2 15 A GLN 7 1HE2 15 A GLN 7 2HE2 15 A GLN 16 1HE2 15 A GLN 16 2HE2 15 A GLN 23 1HE2 15 A GLN 23 2HE2 16 A GLN 7 1HE2 16 A GLN 7 2HE2 16 A GLN 16 1HE2 16 A GLN 16 2HE2 16 A GLN 23 1HE2 16 A GLN 23 2HE2 17 A GLN 7 1HE2 17 A GLN 7 2HE2 17 A GLN 16 1HE2 17 A GLN 16 2HE2 17 A GLN 23 1HE2 17 A GLN 23 2HE2 18 A GLN 7 1HE2 18 A GLN 7 2HE2 18 A GLN 16 1HE2 18 A GLN 16 2HE2 18 A GLN 23 1HE2 18 A GLN 23 2HE2 19 A GLN 7 1HE2 19 A GLN 7 2HE2 19 A GLN 16 1HE2 19 A GLN 16 2HE2 19 A GLN 23 1HE2 19 A GLN 23 2HE2 20 A GLN 7 1HE2 20 A GLN 7 2HE2 20 A GLN 16 1HE2 20 A GLN 16 2HE2 20 A GLN 23 1HE2 20 A GLN 23 2HE2 OTHER IMPORTANT ISSUES ==> The following residues are missing: (Note: The SEQ number starts from 1 for each chain according to SEQRES sequence record.) RES MOD#C SEQ MET( 1 A -77 ) ALA( 1 A -76 ) LEU( 1 A -75 ) THR( 1 A -74 ) LEU( 1 A -73 ) TYR( 1 A -72 ) GLN( 1 A -71 ) ARG( 1 A -70 ) ASP( 1 A -69 ) ASP( 1 A -68 ) CYS( 1 A -67 ) HIS( 1 A -66 ) LEU( 1 A -65 ) CYS( 1 A -64 ) ASP( 1 A -63 ) GLN( 1 A -62 ) ALA( 1 A -61 ) VAL( 1 A -60 ) GLU( 1 A -59 ) ALA( 1 A -58 ) LEU( 1 A -57 ) ALA( 1 A -56 ) GLN( 1 A -55 ) ALA( 1 A -54 ) ARG( 1 A -53 ) ALA( 1 A -52 ) GLY( 1 A -51 ) ALA( 1 A -50 ) PHE( 1 A -49 ) PHE( 1 A -48 ) SER( 1 A -47 ) VAL( 1 A -46 ) PHE( 1 A -45 ) ILE( 1 A -44 ) ASP( 1 A -43 ) ASP( 1 A -42 ) ASP( 1 A -41 ) ALA( 1 A -40 ) ALA( 1 A -39 ) LEU( 1 A -38 ) GLU( 1 A -37 ) SER( 1 A -36 ) ALA( 1 A -35 ) TYR( 1 A -34 ) GLY( 1 A -33 ) LEU( 1 A -32 ) ARG( 1 A -31 ) VAL( 1 A -30 ) PRO( 1 A -29 ) VAL( 1 A -28 ) LEU( 1 A -27 ) ARG( 1 A -26 ) ASP( 1 A -25 ) PRO( 1 A -24 ) MET( 1 A -23 ) GLY( 1 A -22 ) ARG( 1 A -21 ) GLU( 1 A -20 ) LEU( 1 A -19 ) ASP( 1 A -18 ) TRP( 1 A -17 ) PRO( 1 A -16 ) PHE( 1 A -15 ) ASP( 1 A -14 ) ALA( 1 A -13 ) PRO( 1 A -12 ) ARG( 1 A -11 ) LEU( 1 A -10 ) ARG( 1 A -9 ) ALA( 1 A -8 ) TRP( 1 A -7 ) LEU( 1 A -6 ) ASP( 1 A -5 ) ALA( 1 A -4 ) ALA( 1 A -3 ) PRO( 1 A -2 ) HIS( 1 A -1 ) ALA( 1 A 0 ) MET( 2 A -77 ) ALA( 2 A -76 ) LEU( 2 A -75 ) THR( 2 A -74 ) LEU( 2 A -73 ) TYR( 2 A -72 ) GLN( 2 A -71 ) ARG( 2 A -70 ) ASP( 2 A -69 ) ASP( 2 A -68 ) CYS( 2 A -67 ) HIS( 2 A -66 ) LEU( 2 A -65 ) CYS( 2 A -64 ) ASP( 2 A -63 ) GLN( 2 A -62 ) ALA( 2 A -61 ) VAL( 2 A -60 ) GLU( 2 A -59 ) ALA( 2 A -58 ) LEU( 2 A -57 ) ALA( 2 A -56 ) GLN( 2 A -55 ) ALA( 2 A -54 ) ARG( 2 A -53 ) ALA( 2 A -52 ) GLY( 2 A -51 ) ALA( 2 A -50 ) PHE( 2 A -49 ) PHE( 2 A -48 ) SER( 2 A -47 ) VAL( 2 A -46 ) PHE( 2 A -45 ) ILE( 2 A -44 ) ASP( 2 A -43 ) ASP( 2 A -42 ) ASP( 2 A -41 ) ALA( 2 A -40 ) ALA( 2 A -39 ) LEU( 2 A -38 ) GLU( 2 A -37 ) SER( 2 A -36 ) ALA( 2 A -35 ) TYR( 2 A -34 ) GLY( 2 A -33 ) LEU( 2 A -32 ) ARG( 2 A -31 ) VAL( 2 A -30 ) PRO( 2 A -29 ) VAL( 2 A -28 ) LEU( 2 A -27 ) ARG( 2 A -26 ) ASP( 2 A -25 ) PRO( 2 A -24 ) MET( 2 A -23 ) GLY( 2 A -22 ) ARG( 2 A -21 ) GLU( 2 A -20 ) LEU( 2 A -19 ) ASP( 2 A -18 ) TRP( 2 A -17 ) PRO( 2 A -16 ) PHE( 2 A -15 ) ASP( 2 A -14 ) ALA( 2 A -13 ) PRO( 2 A -12 ) ARG( 2 A -11 ) LEU( 2 A -10 ) ARG( 2 A -9 ) ALA( 2 A -8 ) TRP( 2 A -7 ) LEU( 2 A -6 ) ASP( 2 A -5 ) ALA( 2 A -4 ) ALA( 2 A -3 ) PRO( 2 A -2 ) HIS( 2 A -1 ) ALA( 2 A 0 ) MET( 3 A -77 ) ALA( 3 A -76 ) LEU( 3 A -75 ) THR( 3 A -74 ) LEU( 3 A -73 ) TYR( 3 A -72 ) GLN( 3 A -71 ) ARG( 3 A -70 ) ASP( 3 A -69 ) ASP( 3 A -68 ) CYS( 3 A -67 ) HIS( 3 A -66 ) LEU( 3 A -65 ) CYS( 3 A -64 ) ASP( 3 A -63 ) GLN( 3 A -62 ) ALA( 3 A -61 ) VAL( 3 A -60 ) GLU( 3 A -59 ) ALA( 3 A -58 ) LEU( 3 A -57 ) ALA( 3 A -56 ) GLN( 3 A -55 ) ALA( 3 A -54 ) ARG( 3 A -53 ) ALA( 3 A -52 ) GLY( 3 A -51 ) ALA( 3 A -50 ) PHE( 3 A -49 ) PHE( 3 A -48 ) SER( 3 A -47 ) VAL( 3 A -46 ) PHE( 3 A -45 ) ILE( 3 A -44 ) ASP( 3 A -43 ) ASP( 3 A -42 ) ASP( 3 A -41 ) ALA( 3 A -40 ) ALA( 3 A -39 ) LEU( 3 A -38 ) GLU( 3 A -37 ) SER( 3 A -36 ) ALA( 3 A -35 ) TYR( 3 A -34 ) GLY( 3 A -33 ) LEU( 3 A -32 ) ARG( 3 A -31 ) VAL( 3 A -30 ) PRO( 3 A -29 ) VAL( 3 A -28 ) LEU( 3 A -27 ) ARG( 3 A -26 ) ASP( 3 A -25 ) PRO( 3 A -24 ) MET( 3 A -23 ) GLY( 3 A -22 ) ARG( 3 A -21 ) GLU( 3 A -20 ) LEU( 3 A -19 ) ASP( 3 A -18 ) TRP( 3 A -17 ) PRO( 3 A -16 ) PHE( 3 A -15 ) ASP( 3 A -14 ) ALA( 3 A -13 ) PRO( 3 A -12 ) ARG( 3 A -11 ) LEU( 3 A -10 ) ARG( 3 A -9 ) ALA( 3 A -8 ) TRP( 3 A -7 ) LEU( 3 A -6 ) ASP( 3 A -5 ) ALA( 3 A -4 ) ALA( 3 A -3 ) PRO( 3 A -2 ) HIS( 3 A -1 ) ALA( 3 A 0 ) MET( 4 A -77 ) ALA( 4 A -76 ) LEU( 4 A -75 ) THR( 4 A -74 ) LEU( 4 A -73 ) TYR( 4 A -72 ) GLN( 4 A -71 ) ARG( 4 A -70 ) ASP( 4 A -69 ) ASP( 4 A -68 ) CYS( 4 A -67 ) HIS( 4 A -66 ) LEU( 4 A -65 ) CYS( 4 A -64 ) ASP( 4 A -63 ) GLN( 4 A -62 ) ALA( 4 A -61 ) VAL( 4 A -60 ) GLU( 4 A -59 ) ALA( 4 A -58 ) LEU( 4 A -57 ) ALA( 4 A -56 ) GLN( 4 A -55 ) ALA( 4 A -54 ) ARG( 4 A -53 ) ALA( 4 A -52 ) GLY( 4 A -51 ) ALA( 4 A -50 ) PHE( 4 A -49 ) PHE( 4 A -48 ) SER( 4 A -47 ) VAL( 4 A -46 ) PHE( 4 A -45 ) ILE( 4 A -44 ) ASP( 4 A -43 ) ASP( 4 A -42 ) ASP( 4 A -41 ) ALA( 4 A -40 ) ALA( 4 A -39 ) LEU( 4 A -38 ) GLU( 4 A -37 ) SER( 4 A -36 ) ALA( 4 A -35 ) TYR( 4 A -34 ) GLY( 4 A -33 ) LEU( 4 A -32 ) ARG( 4 A -31 ) VAL( 4 A -30 ) PRO( 4 A -29 ) VAL( 4 A -28 ) LEU( 4 A -27 ) ARG( 4 A -26 ) ASP( 4 A -25 ) PRO( 4 A -24 ) MET( 4 A -23 ) GLY( 4 A -22 ) ARG( 4 A -21 ) GLU( 4 A -20 ) LEU( 4 A -19 ) ASP( 4 A -18 ) TRP( 4 A -17 ) PRO( 4 A -16 ) PHE( 4 A -15 ) ASP( 4 A -14 ) ALA( 4 A -13 ) PRO( 4 A -12 ) ARG( 4 A -11 ) LEU( 4 A -10 ) ARG( 4 A -9 ) ALA( 4 A -8 ) TRP( 4 A -7 ) LEU( 4 A -6 ) ASP( 4 A -5 ) ALA( 4 A -4 ) ALA( 4 A -3 ) PRO( 4 A -2 ) HIS( 4 A -1 ) ALA( 4 A 0 ) MET( 5 A -77 ) ALA( 5 A -76 ) LEU( 5 A -75 ) THR( 5 A -74 ) LEU( 5 A -73 ) TYR( 5 A -72 ) GLN( 5 A -71 ) ARG( 5 A -70 ) ASP( 5 A -69 ) ASP( 5 A -68 ) CYS( 5 A -67 ) HIS( 5 A -66 ) LEU( 5 A -65 ) CYS( 5 A -64 ) ASP( 5 A -63 ) GLN( 5 A -62 ) ALA( 5 A -61 ) VAL( 5 A -60 ) GLU( 5 A -59 ) ALA( 5 A -58 ) LEU( 5 A -57 ) ALA( 5 A -56 ) GLN( 5 A -55 ) ALA( 5 A -54 ) ARG( 5 A -53 ) ALA( 5 A -52 ) GLY( 5 A -51 ) ALA( 5 A -50 ) PHE( 5 A -49 ) PHE( 5 A -48 ) SER( 5 A -47 ) VAL( 5 A -46 ) PHE( 5 A -45 ) ILE( 5 A -44 ) ASP( 5 A -43 ) ASP( 5 A -42 ) ASP( 5 A -41 ) ALA( 5 A -40 ) ALA( 5 A -39 ) LEU( 5 A -38 ) GLU( 5 A -37 ) SER( 5 A -36 ) ALA( 5 A -35 ) TYR( 5 A -34 ) GLY( 5 A -33 ) LEU( 5 A -32 ) ARG( 5 A -31 ) VAL( 5 A -30 ) PRO( 5 A -29 ) VAL( 5 A -28 ) LEU( 5 A -27 ) ARG( 5 A -26 ) ASP( 5 A -25 ) PRO( 5 A -24 ) MET( 5 A -23 ) GLY( 5 A -22 ) ARG( 5 A -21 ) GLU( 5 A -20 ) LEU( 5 A -19 ) ASP( 5 A -18 ) TRP( 5 A -17 ) PRO( 5 A -16 ) PHE( 5 A -15 ) ASP( 5 A -14 ) ALA( 5 A -13 ) PRO( 5 A -12 ) ARG( 5 A -11 ) LEU( 5 A -10 ) ARG( 5 A -9 ) ALA( 5 A -8 ) TRP( 5 A -7 ) LEU( 5 A -6 ) ASP( 5 A -5 ) ALA( 5 A -4 ) ALA( 5 A -3 ) PRO( 5 A -2 ) HIS( 5 A -1 ) ALA( 5 A 0 ) MET( 6 A -77 ) ALA( 6 A -76 ) LEU( 6 A -75 ) THR( 6 A -74 ) LEU( 6 A -73 ) TYR( 6 A -72 ) GLN( 6 A -71 ) ARG( 6 A -70 ) ASP( 6 A -69 ) ASP( 6 A -68 ) CYS( 6 A -67 ) HIS( 6 A -66 ) LEU( 6 A -65 ) CYS( 6 A -64 ) ASP( 6 A -63 ) GLN( 6 A -62 ) ALA( 6 A -61 ) VAL( 6 A -60 ) GLU( 6 A -59 ) ALA( 6 A -58 ) LEU( 6 A -57 ) ALA( 6 A -56 ) GLN( 6 A -55 ) ALA( 6 A -54 ) ARG( 6 A -53 ) ALA( 6 A -52 ) GLY( 6 A -51 ) ALA( 6 A -50 ) PHE( 6 A -49 ) PHE( 6 A -48 ) SER( 6 A -47 ) VAL( 6 A -46 ) PHE( 6 A -45 ) ILE( 6 A -44 ) ASP( 6 A -43 ) ASP( 6 A -42 ) ASP( 6 A -41 ) ALA( 6 A -40 ) ALA( 6 A -39 ) LEU( 6 A -38 ) GLU( 6 A -37 ) SER( 6 A -36 ) ALA( 6 A -35 ) TYR( 6 A -34 ) GLY( 6 A -33 ) LEU( 6 A -32 ) ARG( 6 A -31 ) VAL( 6 A -30 ) PRO( 6 A -29 ) VAL( 6 A -28 ) LEU( 6 A -27 ) ARG( 6 A -26 ) ASP( 6 A -25 ) PRO( 6 A -24 ) MET( 6 A -23 ) GLY( 6 A -22 ) ARG( 6 A -21 ) GLU( 6 A -20 ) LEU( 6 A -19 ) ASP( 6 A -18 ) TRP( 6 A -17 ) PRO( 6 A -16 ) PHE( 6 A -15 ) ASP( 6 A -14 ) ALA( 6 A -13 ) PRO( 6 A -12 ) ARG( 6 A -11 ) LEU( 6 A -10 ) ARG( 6 A -9 ) ALA( 6 A -8 ) TRP( 6 A -7 ) LEU( 6 A -6 ) ASP( 6 A -5 ) ALA( 6 A -4 ) ALA( 6 A -3 ) PRO( 6 A -2 ) HIS( 6 A -1 ) ALA( 6 A 0 ) MET( 7 A -77 ) ALA( 7 A -76 ) LEU( 7 A -75 ) THR( 7 A -74 ) LEU( 7 A -73 ) TYR( 7 A -72 ) GLN( 7 A -71 ) ARG( 7 A -70 ) ASP( 7 A -69 ) ASP( 7 A -68 ) CYS( 7 A -67 ) HIS( 7 A -66 ) LEU( 7 A -65 ) CYS( 7 A -64 ) ASP( 7 A -63 ) GLN( 7 A -62 ) ALA( 7 A -61 ) VAL( 7 A -60 ) GLU( 7 A -59 ) ALA( 7 A -58 ) LEU( 7 A -57 ) ALA( 7 A -56 ) GLN( 7 A -55 ) ALA( 7 A -54 ) ARG( 7 A -53 ) ALA( 7 A -52 ) GLY( 7 A -51 ) ALA( 7 A -50 ) PHE( 7 A -49 ) PHE( 7 A -48 ) SER( 7 A -47 ) VAL( 7 A -46 ) PHE( 7 A -45 ) ILE( 7 A -44 ) ASP( 7 A -43 ) ASP( 7 A -42 ) ASP( 7 A -41 ) ALA( 7 A -40 ) ALA( 7 A -39 ) LEU( 7 A -38 ) GLU( 7 A -37 ) SER( 7 A -36 ) ALA( 7 A -35 ) TYR( 7 A -34 ) GLY( 7 A -33 ) LEU( 7 A -32 ) ARG( 7 A -31 ) VAL( 7 A -30 ) PRO( 7 A -29 ) VAL( 7 A -28 ) LEU( 7 A -27 ) ARG( 7 A -26 ) ASP( 7 A -25 ) PRO( 7 A -24 ) MET( 7 A -23 ) GLY( 7 A -22 ) ARG( 7 A -21 ) GLU( 7 A -20 ) LEU( 7 A -19 ) ASP( 7 A -18 ) TRP( 7 A -17 ) PRO( 7 A -16 ) PHE( 7 A -15 ) ASP( 7 A -14 ) ALA( 7 A -13 ) PRO( 7 A -12 ) ARG( 7 A -11 ) LEU( 7 A -10 ) ARG( 7 A -9 ) ALA( 7 A -8 ) TRP( 7 A -7 ) LEU( 7 A -6 ) ASP( 7 A -5 ) ALA( 7 A -4 ) ALA( 7 A -3 ) PRO( 7 A -2 ) HIS( 7 A -1 ) ALA( 7 A 0 ) MET( 8 A -77 ) ALA( 8 A -76 ) LEU( 8 A -75 ) THR( 8 A -74 ) LEU( 8 A -73 ) TYR( 8 A -72 ) GLN( 8 A -71 ) ARG( 8 A -70 ) ASP( 8 A -69 ) ASP( 8 A -68 ) CYS( 8 A -67 ) HIS( 8 A -66 ) LEU( 8 A -65 ) CYS( 8 A -64 ) ASP( 8 A -63 ) GLN( 8 A -62 ) ALA( 8 A -61 ) VAL( 8 A -60 ) GLU( 8 A -59 ) ALA( 8 A -58 ) LEU( 8 A -57 ) ALA( 8 A -56 ) GLN( 8 A -55 ) ALA( 8 A -54 ) ARG( 8 A -53 ) ALA( 8 A -52 ) GLY( 8 A -51 ) ALA( 8 A -50 ) PHE( 8 A -49 ) PHE( 8 A -48 ) SER( 8 A -47 ) VAL( 8 A -46 ) PHE( 8 A -45 ) ILE( 8 A -44 ) ASP( 8 A -43 ) ASP( 8 A -42 ) ASP( 8 A -41 ) ALA( 8 A -40 ) ALA( 8 A -39 ) LEU( 8 A -38 ) GLU( 8 A -37 ) SER( 8 A -36 ) ALA( 8 A -35 ) TYR( 8 A -34 ) GLY( 8 A -33 ) LEU( 8 A -32 ) ARG( 8 A -31 ) VAL( 8 A -30 ) PRO( 8 A -29 ) VAL( 8 A -28 ) LEU( 8 A -27 ) ARG( 8 A -26 ) ASP( 8 A -25 ) PRO( 8 A -24 ) MET( 8 A -23 ) GLY( 8 A -22 ) ARG( 8 A -21 ) GLU( 8 A -20 ) LEU( 8 A -19 ) ASP( 8 A -18 ) TRP( 8 A -17 ) PRO( 8 A -16 ) PHE( 8 A -15 ) ASP( 8 A -14 ) ALA( 8 A -13 ) PRO( 8 A -12 ) ARG( 8 A -11 ) LEU( 8 A -10 ) ARG( 8 A -9 ) ALA( 8 A -8 ) TRP( 8 A -7 ) LEU( 8 A -6 ) ASP( 8 A -5 ) ALA( 8 A -4 ) ALA( 8 A -3 ) PRO( 8 A -2 ) HIS( 8 A -1 ) ALA( 8 A 0 ) MET( 9 A -77 ) ALA( 9 A -76 ) LEU( 9 A -75 ) THR( 9 A -74 ) LEU( 9 A -73 ) TYR( 9 A -72 ) GLN( 9 A -71 ) ARG( 9 A -70 ) ASP( 9 A -69 ) ASP( 9 A -68 ) CYS( 9 A -67 ) HIS( 9 A -66 ) LEU( 9 A -65 ) CYS( 9 A -64 ) ASP( 9 A -63 ) GLN( 9 A -62 ) ALA( 9 A -61 ) VAL( 9 A -60 ) GLU( 9 A -59 ) ALA( 9 A -58 ) LEU( 9 A -57 ) ALA( 9 A -56 ) GLN( 9 A -55 ) ALA( 9 A -54 ) ARG( 9 A -53 ) ALA( 9 A -52 ) GLY( 9 A -51 ) ALA( 9 A -50 ) PHE( 9 A -49 ) PHE( 9 A -48 ) SER( 9 A -47 ) VAL( 9 A -46 ) PHE( 9 A -45 ) ILE( 9 A -44 ) ASP( 9 A -43 ) ASP( 9 A -42 ) ASP( 9 A -41 ) ALA( 9 A -40 ) ALA( 9 A -39 ) LEU( 9 A -38 ) GLU( 9 A -37 ) SER( 9 A -36 ) ALA( 9 A -35 ) TYR( 9 A -34 ) GLY( 9 A -33 ) LEU( 9 A -32 ) ARG( 9 A -31 ) VAL( 9 A -30 ) PRO( 9 A -29 ) VAL( 9 A -28 ) LEU( 9 A -27 ) ARG( 9 A -26 ) ASP( 9 A -25 ) PRO( 9 A -24 ) MET( 9 A -23 ) GLY( 9 A -22 ) ARG( 9 A -21 ) GLU( 9 A -20 ) LEU( 9 A -19 ) ASP( 9 A -18 ) TRP( 9 A -17 ) PRO( 9 A -16 ) PHE( 9 A -15 ) ASP( 9 A -14 ) ALA( 9 A -13 ) PRO( 9 A -12 ) ARG( 9 A -11 ) LEU( 9 A -10 ) ARG( 9 A -9 ) ALA( 9 A -8 ) TRP( 9 A -7 ) LEU( 9 A -6 ) ASP( 9 A -5 ) ALA( 9 A -4 ) ALA( 9 A -3 ) PRO( 9 A -2 ) HIS( 9 A -1 ) ALA( 9 A 0 ) MET( 10 A -77 ) ALA( 10 A -76 ) LEU( 10 A -75 ) THR( 10 A -74 ) LEU( 10 A -73 ) TYR( 10 A -72 ) GLN( 10 A -71 ) ARG( 10 A -70 ) ASP( 10 A -69 ) ASP( 10 A -68 ) CYS( 10 A -67 ) HIS( 10 A -66 ) LEU( 10 A -65 ) CYS( 10 A -64 ) ASP( 10 A -63 ) GLN( 10 A -62 ) ALA( 10 A -61 ) VAL( 10 A -60 ) GLU( 10 A -59 ) ALA( 10 A -58 ) LEU( 10 A -57 ) ALA( 10 A -56 ) GLN( 10 A -55 ) ALA( 10 A -54 ) ARG( 10 A -53 ) ALA( 10 A -52 ) GLY( 10 A -51 ) ALA( 10 A -50 ) PHE( 10 A -49 ) PHE( 10 A -48 ) SER( 10 A -47 ) VAL( 10 A -46 ) PHE( 10 A -45 ) ILE( 10 A -44 ) ASP( 10 A -43 ) ASP( 10 A -42 ) ASP( 10 A -41 ) ALA( 10 A -40 ) ALA( 10 A -39 ) LEU( 10 A -38 ) GLU( 10 A -37 ) SER( 10 A -36 ) ALA( 10 A -35 ) TYR( 10 A -34 ) GLY( 10 A -33 ) LEU( 10 A -32 ) ARG( 10 A -31 ) VAL( 10 A -30 ) PRO( 10 A -29 ) VAL( 10 A -28 ) LEU( 10 A -27 ) ARG( 10 A -26 ) ASP( 10 A -25 ) PRO( 10 A -24 ) MET( 10 A -23 ) GLY( 10 A -22 ) ARG( 10 A -21 ) GLU( 10 A -20 ) LEU( 10 A -19 ) ASP( 10 A -18 ) TRP( 10 A -17 ) PRO( 10 A -16 ) PHE( 10 A -15 ) ASP( 10 A -14 ) ALA( 10 A -13 ) PRO( 10 A -12 ) ARG( 10 A -11 ) LEU( 10 A -10 ) ARG( 10 A -9 ) ALA( 10 A -8 ) TRP( 10 A -7 ) LEU( 10 A -6 ) ASP( 10 A -5 ) ALA( 10 A -4 ) ALA( 10 A -3 ) PRO( 10 A -2 ) HIS( 10 A -1 ) ALA( 10 A 0 ) MET( 11 A -77 ) ALA( 11 A -76 ) LEU( 11 A -75 ) THR( 11 A -74 ) LEU( 11 A -73 ) TYR( 11 A -72 ) GLN( 11 A -71 ) ARG( 11 A -70 ) ASP( 11 A -69 ) ASP( 11 A -68 ) CYS( 11 A -67 ) HIS( 11 A -66 ) LEU( 11 A -65 ) CYS( 11 A -64 ) ASP( 11 A -63 ) GLN( 11 A -62 ) ALA( 11 A -61 ) VAL( 11 A -60 ) GLU( 11 A -59 ) ALA( 11 A -58 ) LEU( 11 A -57 ) ALA( 11 A -56 ) GLN( 11 A -55 ) ALA( 11 A -54 ) ARG( 11 A -53 ) ALA( 11 A -52 ) GLY( 11 A -51 ) ALA( 11 A -50 ) PHE( 11 A -49 ) PHE( 11 A -48 ) SER( 11 A -47 ) VAL( 11 A -46 ) PHE( 11 A -45 ) ILE( 11 A -44 ) ASP( 11 A -43 ) ASP( 11 A -42 ) ASP( 11 A -41 ) ALA( 11 A -40 ) ALA( 11 A -39 ) LEU( 11 A -38 ) GLU( 11 A -37 ) SER( 11 A -36 ) ALA( 11 A -35 ) TYR( 11 A -34 ) GLY( 11 A -33 ) LEU( 11 A -32 ) ARG( 11 A -31 ) VAL( 11 A -30 ) PRO( 11 A -29 ) VAL( 11 A -28 ) LEU( 11 A -27 ) ARG( 11 A -26 ) ASP( 11 A -25 ) PRO( 11 A -24 ) MET( 11 A -23 ) GLY( 11 A -22 ) ARG( 11 A -21 ) GLU( 11 A -20 ) LEU( 11 A -19 ) ASP( 11 A -18 ) TRP( 11 A -17 ) PRO( 11 A -16 ) PHE( 11 A -15 ) ASP( 11 A -14 ) ALA( 11 A -13 ) PRO( 11 A -12 ) ARG( 11 A -11 ) LEU( 11 A -10 ) ARG( 11 A -9 ) ALA( 11 A -8 ) TRP( 11 A -7 ) LEU( 11 A -6 ) ASP( 11 A -5 ) ALA( 11 A -4 ) ALA( 11 A -3 ) PRO( 11 A -2 ) HIS( 11 A -1 ) ALA( 11 A 0 ) MET( 12 A -77 ) ALA( 12 A -76 ) LEU( 12 A -75 ) THR( 12 A -74 ) LEU( 12 A -73 ) TYR( 12 A -72 ) GLN( 12 A -71 ) ARG( 12 A -70 ) ASP( 12 A -69 ) ASP( 12 A -68 ) CYS( 12 A -67 ) HIS( 12 A -66 ) LEU( 12 A -65 ) CYS( 12 A -64 ) ASP( 12 A -63 ) GLN( 12 A -62 ) ALA( 12 A -61 ) VAL( 12 A -60 ) GLU( 12 A -59 ) ALA( 12 A -58 ) LEU( 12 A -57 ) ALA( 12 A -56 ) GLN( 12 A -55 ) ALA( 12 A -54 ) ARG( 12 A -53 ) ALA( 12 A -52 ) GLY( 12 A -51 ) ALA( 12 A -50 ) PHE( 12 A -49 ) PHE( 12 A -48 ) SER( 12 A -47 ) VAL( 12 A -46 ) PHE( 12 A -45 ) ILE( 12 A -44 ) ASP( 12 A -43 ) ASP( 12 A -42 ) ASP( 12 A -41 ) ALA( 12 A -40 ) ALA( 12 A -39 ) LEU( 12 A -38 ) GLU( 12 A -37 ) SER( 12 A -36 ) ALA( 12 A -35 ) TYR( 12 A -34 ) GLY( 12 A -33 ) LEU( 12 A -32 ) ARG( 12 A -31 ) VAL( 12 A -30 ) PRO( 12 A -29 ) VAL( 12 A -28 ) LEU( 12 A -27 ) ARG( 12 A -26 ) ASP( 12 A -25 ) PRO( 12 A -24 ) MET( 12 A -23 ) GLY( 12 A -22 ) ARG( 12 A -21 ) GLU( 12 A -20 ) LEU( 12 A -19 ) ASP( 12 A -18 ) TRP( 12 A -17 ) PRO( 12 A -16 ) PHE( 12 A -15 ) ASP( 12 A -14 ) ALA( 12 A -13 ) PRO( 12 A -12 ) ARG( 12 A -11 ) LEU( 12 A -10 ) ARG( 12 A -9 ) ALA( 12 A -8 ) TRP( 12 A -7 ) LEU( 12 A -6 ) ASP( 12 A -5 ) ALA( 12 A -4 ) ALA( 12 A -3 ) PRO( 12 A -2 ) HIS( 12 A -1 ) ALA( 12 A 0 ) MET( 13 A -77 ) ALA( 13 A -76 ) LEU( 13 A -75 ) THR( 13 A -74 ) LEU( 13 A -73 ) TYR( 13 A -72 ) GLN( 13 A -71 ) ARG( 13 A -70 ) ASP( 13 A -69 ) ASP( 13 A -68 ) CYS( 13 A -67 ) HIS( 13 A -66 ) LEU( 13 A -65 ) CYS( 13 A -64 ) ASP( 13 A -63 ) GLN( 13 A -62 ) ALA( 13 A -61 ) VAL( 13 A -60 ) GLU( 13 A -59 ) ALA( 13 A -58 ) LEU( 13 A -57 ) ALA( 13 A -56 ) GLN( 13 A -55 ) ALA( 13 A -54 ) ARG( 13 A -53 ) ALA( 13 A -52 ) GLY( 13 A -51 ) ALA( 13 A -50 ) PHE( 13 A -49 ) PHE( 13 A -48 ) SER( 13 A -47 ) VAL( 13 A -46 ) PHE( 13 A -45 ) ILE( 13 A -44 ) ASP( 13 A -43 ) ASP( 13 A -42 ) ASP( 13 A -41 ) ALA( 13 A -40 ) ALA( 13 A -39 ) LEU( 13 A -38 ) GLU( 13 A -37 ) SER( 13 A -36 ) ALA( 13 A -35 ) TYR( 13 A -34 ) GLY( 13 A -33 ) LEU( 13 A -32 ) ARG( 13 A -31 ) VAL( 13 A -30 ) PRO( 13 A -29 ) VAL( 13 A -28 ) LEU( 13 A -27 ) ARG( 13 A -26 ) ASP( 13 A -25 ) PRO( 13 A -24 ) MET( 13 A -23 ) GLY( 13 A -22 ) ARG( 13 A -21 ) GLU( 13 A -20 ) LEU( 13 A -19 ) ASP( 13 A -18 ) TRP( 13 A -17 ) PRO( 13 A -16 ) PHE( 13 A -15 ) ASP( 13 A -14 ) ALA( 13 A -13 ) PRO( 13 A -12 ) ARG( 13 A -11 ) LEU( 13 A -10 ) ARG( 13 A -9 ) ALA( 13 A -8 ) TRP( 13 A -7 ) LEU( 13 A -6 ) ASP( 13 A -5 ) ALA( 13 A -4 ) ALA( 13 A -3 ) PRO( 13 A -2 ) HIS( 13 A -1 ) ALA( 13 A 0 ) MET( 14 A -77 ) ALA( 14 A -76 ) LEU( 14 A -75 ) THR( 14 A -74 ) LEU( 14 A -73 ) TYR( 14 A -72 ) GLN( 14 A -71 ) ARG( 14 A -70 ) ASP( 14 A -69 ) ASP( 14 A -68 ) CYS( 14 A -67 ) HIS( 14 A -66 ) LEU( 14 A -65 ) CYS( 14 A -64 ) ASP( 14 A -63 ) GLN( 14 A -62 ) ALA( 14 A -61 ) VAL( 14 A -60 ) GLU( 14 A -59 ) ALA( 14 A -58 ) LEU( 14 A -57 ) ALA( 14 A -56 ) GLN( 14 A -55 ) ALA( 14 A -54 ) ARG( 14 A -53 ) ALA( 14 A -52 ) GLY( 14 A -51 ) ALA( 14 A -50 ) PHE( 14 A -49 ) PHE( 14 A -48 ) SER( 14 A -47 ) VAL( 14 A -46 ) PHE( 14 A -45 ) ILE( 14 A -44 ) ASP( 14 A -43 ) ASP( 14 A -42 ) ASP( 14 A -41 ) ALA( 14 A -40 ) ALA( 14 A -39 ) LEU( 14 A -38 ) GLU( 14 A -37 ) SER( 14 A -36 ) ALA( 14 A -35 ) TYR( 14 A -34 ) GLY( 14 A -33 ) LEU( 14 A -32 ) ARG( 14 A -31 ) VAL( 14 A -30 ) PRO( 14 A -29 ) VAL( 14 A -28 ) LEU( 14 A -27 ) ARG( 14 A -26 ) ASP( 14 A -25 ) PRO( 14 A -24 ) MET( 14 A -23 ) GLY( 14 A -22 ) ARG( 14 A -21 ) GLU( 14 A -20 ) LEU( 14 A -19 ) ASP( 14 A -18 ) TRP( 14 A -17 ) PRO( 14 A -16 ) PHE( 14 A -15 ) ASP( 14 A -14 ) ALA( 14 A -13 ) PRO( 14 A -12 ) ARG( 14 A -11 ) LEU( 14 A -10 ) ARG( 14 A -9 ) ALA( 14 A -8 ) TRP( 14 A -7 ) LEU( 14 A -6 ) ASP( 14 A -5 ) ALA( 14 A -4 ) ALA( 14 A -3 ) PRO( 14 A -2 ) HIS( 14 A -1 ) ALA( 14 A 0 ) MET( 15 A -77 ) ALA( 15 A -76 ) LEU( 15 A -75 ) THR( 15 A -74 ) LEU( 15 A -73 ) TYR( 15 A -72 ) GLN( 15 A -71 ) ARG( 15 A -70 ) ASP( 15 A -69 ) ASP( 15 A -68 ) CYS( 15 A -67 ) HIS( 15 A -66 ) LEU( 15 A -65 ) CYS( 15 A -64 ) ASP( 15 A -63 ) GLN( 15 A -62 ) ALA( 15 A -61 ) VAL( 15 A -60 ) GLU( 15 A -59 ) ALA( 15 A -58 ) LEU( 15 A -57 ) ALA( 15 A -56 ) GLN( 15 A -55 ) ALA( 15 A -54 ) ARG( 15 A -53 ) ALA( 15 A -52 ) GLY( 15 A -51 ) ALA( 15 A -50 ) PHE( 15 A -49 ) PHE( 15 A -48 ) SER( 15 A -47 ) VAL( 15 A -46 ) PHE( 15 A -45 ) ILE( 15 A -44 ) ASP( 15 A -43 ) ASP( 15 A -42 ) ASP( 15 A -41 ) ALA( 15 A -40 ) ALA( 15 A -39 ) LEU( 15 A -38 ) GLU( 15 A -37 ) SER( 15 A -36 ) ALA( 15 A -35 ) TYR( 15 A -34 ) GLY( 15 A -33 ) LEU( 15 A -32 ) ARG( 15 A -31 ) VAL( 15 A -30 ) PRO( 15 A -29 ) VAL( 15 A -28 ) LEU( 15 A -27 ) ARG( 15 A -26 ) ASP( 15 A -25 ) PRO( 15 A -24 ) MET( 15 A -23 ) GLY( 15 A -22 ) ARG( 15 A -21 ) GLU( 15 A -20 ) LEU( 15 A -19 ) ASP( 15 A -18 ) TRP( 15 A -17 ) PRO( 15 A -16 ) PHE( 15 A -15 ) ASP( 15 A -14 ) ALA( 15 A -13 ) PRO( 15 A -12 ) ARG( 15 A -11 ) LEU( 15 A -10 ) ARG( 15 A -9 ) ALA( 15 A -8 ) TRP( 15 A -7 ) LEU( 15 A -6 ) ASP( 15 A -5 ) ALA( 15 A -4 ) ALA( 15 A -3 ) PRO( 15 A -2 ) HIS( 15 A -1 ) ALA( 15 A 0 ) MET( 16 A -77 ) ALA( 16 A -76 ) LEU( 16 A -75 ) THR( 16 A -74 ) LEU( 16 A -73 ) TYR( 16 A -72 ) GLN( 16 A -71 ) ARG( 16 A -70 ) ASP( 16 A -69 ) ASP( 16 A -68 ) CYS( 16 A -67 ) HIS( 16 A -66 ) LEU( 16 A -65 ) CYS( 16 A -64 ) ASP( 16 A -63 ) GLN( 16 A -62 ) ALA( 16 A -61 ) VAL( 16 A -60 ) GLU( 16 A -59 ) ALA( 16 A -58 ) LEU( 16 A -57 ) ALA( 16 A -56 ) GLN( 16 A -55 ) ALA( 16 A -54 ) ARG( 16 A -53 ) ALA( 16 A -52 ) GLY( 16 A -51 ) ALA( 16 A -50 ) PHE( 16 A -49 ) PHE( 16 A -48 ) SER( 16 A -47 ) VAL( 16 A -46 ) PHE( 16 A -45 ) ILE( 16 A -44 ) ASP( 16 A -43 ) ASP( 16 A -42 ) ASP( 16 A -41 ) ALA( 16 A -40 ) ALA( 16 A -39 ) LEU( 16 A -38 ) GLU( 16 A -37 ) SER( 16 A -36 ) ALA( 16 A -35 ) TYR( 16 A -34 ) GLY( 16 A -33 ) LEU( 16 A -32 ) ARG( 16 A -31 ) VAL( 16 A -30 ) PRO( 16 A -29 ) VAL( 16 A -28 ) LEU( 16 A -27 ) ARG( 16 A -26 ) ASP( 16 A -25 ) PRO( 16 A -24 ) MET( 16 A -23 ) GLY( 16 A -22 ) ARG( 16 A -21 ) GLU( 16 A -20 ) LEU( 16 A -19 ) ASP( 16 A -18 ) TRP( 16 A -17 ) PRO( 16 A -16 ) PHE( 16 A -15 ) ASP( 16 A -14 ) ALA( 16 A -13 ) PRO( 16 A -12 ) ARG( 16 A -11 ) LEU( 16 A -10 ) ARG( 16 A -9 ) ALA( 16 A -8 ) TRP( 16 A -7 ) LEU( 16 A -6 ) ASP( 16 A -5 ) ALA( 16 A -4 ) ALA( 16 A -3 ) PRO( 16 A -2 ) HIS( 16 A -1 ) ALA( 16 A 0 ) MET( 17 A -77 ) ALA( 17 A -76 ) LEU( 17 A -75 ) THR( 17 A -74 ) LEU( 17 A -73 ) TYR( 17 A -72 ) GLN( 17 A -71 ) ARG( 17 A -70 ) ASP( 17 A -69 ) ASP( 17 A -68 ) CYS( 17 A -67 ) HIS( 17 A -66 ) LEU( 17 A -65 ) CYS( 17 A -64 ) ASP( 17 A -63 ) GLN( 17 A -62 ) ALA( 17 A -61 ) VAL( 17 A -60 ) GLU( 17 A -59 ) ALA( 17 A -58 ) LEU( 17 A -57 ) ALA( 17 A -56 ) GLN( 17 A -55 ) ALA( 17 A -54 ) ARG( 17 A -53 ) ALA( 17 A -52 ) GLY( 17 A -51 ) ALA( 17 A -50 ) PHE( 17 A -49 ) PHE( 17 A -48 ) SER( 17 A -47 ) VAL( 17 A -46 ) PHE( 17 A -45 ) ILE( 17 A -44 ) ASP( 17 A -43 ) ASP( 17 A -42 ) ASP( 17 A -41 ) ALA( 17 A -40 ) ALA( 17 A -39 ) LEU( 17 A -38 ) GLU( 17 A -37 ) SER( 17 A -36 ) ALA( 17 A -35 ) TYR( 17 A -34 ) GLY( 17 A -33 ) LEU( 17 A -32 ) ARG( 17 A -31 ) VAL( 17 A -30 ) PRO( 17 A -29 ) VAL( 17 A -28 ) LEU( 17 A -27 ) ARG( 17 A -26 ) ASP( 17 A -25 ) PRO( 17 A -24 ) MET( 17 A -23 ) GLY( 17 A -22 ) ARG( 17 A -21 ) GLU( 17 A -20 ) LEU( 17 A -19 ) ASP( 17 A -18 ) TRP( 17 A -17 ) PRO( 17 A -16 ) PHE( 17 A -15 ) ASP( 17 A -14 ) ALA( 17 A -13 ) PRO( 17 A -12 ) ARG( 17 A -11 ) LEU( 17 A -10 ) ARG( 17 A -9 ) ALA( 17 A -8 ) TRP( 17 A -7 ) LEU( 17 A -6 ) ASP( 17 A -5 ) ALA( 17 A -4 ) ALA( 17 A -3 ) PRO( 17 A -2 ) HIS( 17 A -1 ) ALA( 17 A 0 ) MET( 18 A -77 ) ALA( 18 A -76 ) LEU( 18 A -75 ) THR( 18 A -74 ) LEU( 18 A -73 ) TYR( 18 A -72 ) GLN( 18 A -71 ) ARG( 18 A -70 ) ASP( 18 A -69 ) ASP( 18 A -68 ) CYS( 18 A -67 ) HIS( 18 A -66 ) LEU( 18 A -65 ) CYS( 18 A -64 ) ASP( 18 A -63 ) GLN( 18 A -62 ) ALA( 18 A -61 ) VAL( 18 A -60 ) GLU( 18 A -59 ) ALA( 18 A -58 ) LEU( 18 A -57 ) ALA( 18 A -56 ) GLN( 18 A -55 ) ALA( 18 A -54 ) ARG( 18 A -53 ) ALA( 18 A -52 ) GLY( 18 A -51 ) ALA( 18 A -50 ) PHE( 18 A -49 ) PHE( 18 A -48 ) SER( 18 A -47 ) VAL( 18 A -46 ) PHE( 18 A -45 ) ILE( 18 A -44 ) ASP( 18 A -43 ) ASP( 18 A -42 ) ASP( 18 A -41 ) ALA( 18 A -40 ) ALA( 18 A -39 ) LEU( 18 A -38 ) GLU( 18 A -37 ) SER( 18 A -36 ) ALA( 18 A -35 ) TYR( 18 A -34 ) GLY( 18 A -33 ) LEU( 18 A -32 ) ARG( 18 A -31 ) VAL( 18 A -30 ) PRO( 18 A -29 ) VAL( 18 A -28 ) LEU( 18 A -27 ) ARG( 18 A -26 ) ASP( 18 A -25 ) PRO( 18 A -24 ) MET( 18 A -23 ) GLY( 18 A -22 ) ARG( 18 A -21 ) GLU( 18 A -20 ) LEU( 18 A -19 ) ASP( 18 A -18 ) TRP( 18 A -17 ) PRO( 18 A -16 ) PHE( 18 A -15 ) ASP( 18 A -14 ) ALA( 18 A -13 ) PRO( 18 A -12 ) ARG( 18 A -11 ) LEU( 18 A -10 ) ARG( 18 A -9 ) ALA( 18 A -8 ) TRP( 18 A -7 ) LEU( 18 A -6 ) ASP( 18 A -5 ) ALA( 18 A -4 ) ALA( 18 A -3 ) PRO( 18 A -2 ) HIS( 18 A -1 ) ALA( 18 A 0 ) MET( 19 A -77 ) ALA( 19 A -76 ) LEU( 19 A -75 ) THR( 19 A -74 ) LEU( 19 A -73 ) TYR( 19 A -72 ) GLN( 19 A -71 ) ARG( 19 A -70 ) ASP( 19 A -69 ) ASP( 19 A -68 ) CYS( 19 A -67 ) HIS( 19 A -66 ) LEU( 19 A -65 ) CYS( 19 A -64 ) ASP( 19 A -63 ) GLN( 19 A -62 ) ALA( 19 A -61 ) VAL( 19 A -60 ) GLU( 19 A -59 ) ALA( 19 A -58 ) LEU( 19 A -57 ) ALA( 19 A -56 ) GLN( 19 A -55 ) ALA( 19 A -54 ) ARG( 19 A -53 ) ALA( 19 A -52 ) GLY( 19 A -51 ) ALA( 19 A -50 ) PHE( 19 A -49 ) PHE( 19 A -48 ) SER( 19 A -47 ) VAL( 19 A -46 ) PHE( 19 A -45 ) ILE( 19 A -44 ) ASP( 19 A -43 ) ASP( 19 A -42 ) ASP( 19 A -41 ) ALA( 19 A -40 ) ALA( 19 A -39 ) LEU( 19 A -38 ) GLU( 19 A -37 ) SER( 19 A -36 ) ALA( 19 A -35 ) TYR( 19 A -34 ) GLY( 19 A -33 ) LEU( 19 A -32 ) ARG( 19 A -31 ) VAL( 19 A -30 ) PRO( 19 A -29 ) VAL( 19 A -28 ) LEU( 19 A -27 ) ARG( 19 A -26 ) ASP( 19 A -25 ) PRO( 19 A -24 ) MET( 19 A -23 ) GLY( 19 A -22 ) ARG( 19 A -21 ) GLU( 19 A -20 ) LEU( 19 A -19 ) ASP( 19 A -18 ) TRP( 19 A -17 ) PRO( 19 A -16 ) PHE( 19 A -15 ) ASP( 19 A -14 ) ALA( 19 A -13 ) PRO( 19 A -12 ) ARG( 19 A -11 ) LEU( 19 A -10 ) ARG( 19 A -9 ) ALA( 19 A -8 ) TRP( 19 A -7 ) LEU( 19 A -6 ) ASP( 19 A -5 ) ALA( 19 A -4 ) ALA( 19 A -3 ) PRO( 19 A -2 ) HIS( 19 A -1 ) ALA( 19 A 0 ) MET( 20 A -77 ) ALA( 20 A -76 ) LEU( 20 A -75 ) THR( 20 A -74 ) LEU( 20 A -73 ) TYR( 20 A -72 ) GLN( 20 A -71 ) ARG( 20 A -70 ) ASP( 20 A -69 ) ASP( 20 A -68 ) CYS( 20 A -67 ) HIS( 20 A -66 ) LEU( 20 A -65 ) CYS( 20 A -64 ) ASP( 20 A -63 ) GLN( 20 A -62 ) ALA( 20 A -61 ) VAL( 20 A -60 ) GLU( 20 A -59 ) ALA( 20 A -58 ) LEU( 20 A -57 ) ALA( 20 A -56 ) GLN( 20 A -55 ) ALA( 20 A -54 ) ARG( 20 A -53 ) ALA( 20 A -52 ) GLY( 20 A -51 ) ALA( 20 A -50 ) PHE( 20 A -49 ) PHE( 20 A -48 ) SER( 20 A -47 ) VAL( 20 A -46 ) PHE( 20 A -45 ) ILE( 20 A -44 ) ASP( 20 A -43 ) ASP( 20 A -42 ) ASP( 20 A -41 ) ALA( 20 A -40 ) ALA( 20 A -39 ) LEU( 20 A -38 ) GLU( 20 A -37 ) SER( 20 A -36 ) ALA( 20 A -35 ) TYR( 20 A -34 ) GLY( 20 A -33 ) LEU( 20 A -32 ) ARG( 20 A -31 ) VAL( 20 A -30 ) PRO( 20 A -29 ) VAL( 20 A -28 ) LEU( 20 A -27 ) ARG( 20 A -26 ) ASP( 20 A -25 ) PRO( 20 A -24 ) MET( 20 A -23 ) GLY( 20 A -22 ) ARG( 20 A -21 ) GLU( 20 A -20 ) LEU( 20 A -19 ) ASP( 20 A -18 ) TRP( 20 A -17 ) PRO( 20 A -16 ) PHE( 20 A -15 ) ASP( 20 A -14 ) ALA( 20 A -13 ) PRO( 20 A -12 ) ARG( 20 A -11 ) LEU( 20 A -10 ) ARG( 20 A -9 ) ALA( 20 A -8 ) TRP( 20 A -7 ) LEU( 20 A -6 ) ASP( 20 A -5 ) ALA( 20 A -4 ) ALA( 20 A -3 ) PRO( 20 A -2 ) HIS( 20 A -1 ) ALA( 20 A 0 ) PDB Chain_ID: A 1 15 SEQRES: MET ALA LEU THR LEU TYR GLN ARG ASP ASP CYS HIS LEU CYS ASP COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 16 30 SEQRES: GLN ALA VAL GLU ALA LEU ALA GLN ALA ARG ALA GLY ALA PHE PHE COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 31 45 SEQRES: SER VAL PHE ILE ASP ASP ASP ALA ALA LEU GLU SER ALA TYR GLY COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 46 60 SEQRES: LEU ARG VAL PRO VAL LEU ARG ASP PRO MET GLY ARG GLU LEU ASP COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 61 75 SEQRES: TRP PRO PHE ASP ALA PRO ARG LEU ARG ALA TRP LEU ASP ALA ALA COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 76 90 SEQRES: PRO HIS ALA MET ALA LEU THR LEU TYR GLN ARG ASP ASP CYS HIS COORDS: ... ... ... MET ALA LEU THR LEU TYR GLN ARG ASP ASP CYS HIS 1 12 91 105 SEQRES: LEU CYS ASP GLN ALA VAL GLU ALA LEU ALA GLN ALA ARG ALA GLY COORDS: LEU CYS ASP GLN ALA VAL GLU ALA LEU ALA GLN ALA ARG ALA GLY 13 27 106 120 SEQRES: ALA PHE PHE SER VAL PHE ILE ASP ASP ASP ALA ALA LEU GLU SER COORDS: ALA PHE PHE SER VAL PHE ILE ASP ASP ASP ALA ALA LEU GLU SER 28 42 121 135 SEQRES: ALA TYR GLY LEU ARG VAL PRO VAL LEU ARG ASP PRO MET GLY ARG COORDS: ALA TYR GLY LEU ARG VAL PRO VAL LEU ARG ASP PRO MET GLY ARG 43 57 136 150 SEQRES: GLU LEU ASP TRP PRO PHE ASP ALA PRO ARG LEU ARG ALA TRP LEU COORDS: GLU LEU ASP TRP PRO PHE ASP ALA PRO ARG LEU ARG ALA TRP LEU 58 72 151 156 SEQRES: ASP ALA ALA PRO HIS ALA COORDS: ASP ALA ALA PRO HIS ALA 73 78 ==> The following residues have missing atoms: RES MOD#C SEQ ATOMS ASP( 1 A 9) HD2 ASP( 1 A 10) HD2 HIS( 1 A 12) HE2 ASP( 1 A 15) HD2 GLU( 1 A 19) HE2 ASP( 1 A 35) HD2 ASP( 1 A 36) HD2 ASP( 1 A 37) HD2 GLU( 1 A 41) HE2 ASP( 1 A 53) HD2 GLU( 1 A 58) HE2 ASP( 1 A 60) HD2 ASP( 1 A 64) HD2 ASP( 1 A 73) HD2 HIS( 1 A 77) HE2 ASP( 2 A 9) HD2 ASP( 2 A 10) HD2 HIS( 2 A 12) HE2 ASP( 2 A 15) HD2 GLU( 2 A 19) HE2 ASP( 2 A 35) HD2 ASP( 2 A 36) HD2 ASP( 2 A 37) HD2 GLU( 2 A 41) HE2 ASP( 2 A 53) HD2 GLU( 2 A 58) HE2 ASP( 2 A 60) HD2 ASP( 2 A 64) HD2 ASP( 2 A 73) HD2 HIS( 2 A 77) HE2 ASP( 3 A 9) HD2 ASP( 3 A 10) HD2 HIS( 3 A 12) HE2 ASP( 3 A 15) HD2 GLU( 3 A 19) HE2 ASP( 3 A 35) HD2 ASP( 3 A 36) HD2 ASP( 3 A 37) HD2 GLU( 3 A 41) HE2 ASP( 3 A 53) HD2 GLU( 3 A 58) HE2 ASP( 3 A 60) HD2 ASP( 3 A 64) HD2 ASP( 3 A 73) HD2 HIS( 3 A 77) HE2 ASP( 4 A 9) HD2 ASP( 4 A 10) HD2 HIS( 4 A 12) HE2 ASP( 4 A 15) HD2 GLU( 4 A 19) HE2 ASP( 4 A 35) HD2 ASP( 4 A 36) HD2 ASP( 4 A 37) HD2 GLU( 4 A 41) HE2 ASP( 4 A 53) HD2 GLU( 4 A 58) HE2 ASP( 4 A 60) HD2 ASP( 4 A 64) HD2 ASP( 4 A 73) HD2 HIS( 4 A 77) HE2 ASP( 5 A 9) HD2 ASP( 5 A 10) HD2 HIS( 5 A 12) HE2 ASP( 5 A 15) HD2 GLU( 5 A 19) HE2 ASP( 5 A 35) HD2 ASP( 5 A 36) HD2 ASP( 5 A 37) HD2 GLU( 5 A 41) HE2 ASP( 5 A 53) HD2 GLU( 5 A 58) HE2 ASP( 5 A 60) HD2 ASP( 5 A 64) HD2 ASP( 5 A 73) HD2 HIS( 5 A 77) HE2 ASP( 6 A 9) HD2 ASP( 6 A 10) HD2 HIS( 6 A 12) HE2 ASP( 6 A 15) HD2 GLU( 6 A 19) HE2 ASP( 6 A 35) HD2 ASP( 6 A 36) HD2 ASP( 6 A 37) HD2 GLU( 6 A 41) HE2 ASP( 6 A 53) HD2 GLU( 6 A 58) HE2 ASP( 6 A 60) HD2 ASP( 6 A 64) HD2 ASP( 6 A 73) HD2 HIS( 6 A 77) HE2 ASP( 7 A 9) HD2 ASP( 7 A 10) HD2 HIS( 7 A 12) HE2 ASP( 7 A 15) HD2 GLU( 7 A 19) HE2 ASP( 7 A 35) HD2 ASP( 7 A 36) HD2 ASP( 7 A 37) HD2 GLU( 7 A 41) HE2 ASP( 7 A 53) HD2 GLU( 7 A 58) HE2 ASP( 7 A 60) HD2 ASP( 7 A 64) HD2 ASP( 7 A 73) HD2 HIS( 7 A 77) HE2 ASP( 8 A 9) HD2 ASP( 8 A 10) HD2 HIS( 8 A 12) HE2 ASP( 8 A 15) HD2 GLU( 8 A 19) HE2 ASP( 8 A 35) HD2 ASP( 8 A 36) HD2 ASP( 8 A 37) HD2 GLU( 8 A 41) HE2 ASP( 8 A 53) HD2 GLU( 8 A 58) HE2 ASP( 8 A 60) HD2 ASP( 8 A 64) HD2 ASP( 8 A 73) HD2 HIS( 8 A 77) HE2 ASP( 9 A 9) HD2 ASP( 9 A 10) HD2 HIS( 9 A 12) HE2 ASP( 9 A 15) HD2 GLU( 9 A 19) HE2 ASP( 9 A 35) HD2 ASP( 9 A 36) HD2 ASP( 9 A 37) HD2 GLU( 9 A 41) HE2 ASP( 9 A 53) HD2 GLU( 9 A 58) HE2 ASP( 9 A 60) HD2 ASP( 9 A 64) HD2 ASP( 9 A 73) HD2 HIS( 9 A 77) HE2 ASP( 10 A 9) HD2 ASP( 10 A 10) HD2 HIS( 10 A 12) HE2 ASP( 10 A 15) HD2 GLU( 10 A 19) HE2 ASP( 10 A 35) HD2 ASP( 10 A 36) HD2 ASP( 10 A 37) HD2 GLU( 10 A 41) HE2 ASP( 10 A 53) HD2 GLU( 10 A 58) HE2 ASP( 10 A 60) HD2 ASP( 10 A 64) HD2 ASP( 10 A 73) HD2 HIS( 10 A 77) HE2 ASP( 11 A 9) HD2 ASP( 11 A 10) HD2 HIS( 11 A 12) HE2 ASP( 11 A 15) HD2 GLU( 11 A 19) HE2 ASP( 11 A 35) HD2 ASP( 11 A 36) HD2 ASP( 11 A 37) HD2 GLU( 11 A 41) HE2 ASP( 11 A 53) HD2 GLU( 11 A 58) HE2 ASP( 11 A 60) HD2 ASP( 11 A 64) HD2 ASP( 11 A 73) HD2 HIS( 11 A 77) HE2 ASP( 12 A 9) HD2 ASP( 12 A 10) HD2 HIS( 12 A 12) HE2 ASP( 12 A 15) HD2 GLU( 12 A 19) HE2 ASP( 12 A 35) HD2 ASP( 12 A 36) HD2 ASP( 12 A 37) HD2 GLU( 12 A 41) HE2 ASP( 12 A 53) HD2 GLU( 12 A 58) HE2 ASP( 12 A 60) HD2 ASP( 12 A 64) HD2 ASP( 12 A 73) HD2 HIS( 12 A 77) HE2 ASP( 13 A 9) HD2 ASP( 13 A 10) HD2 HIS( 13 A 12) HE2 ASP( 13 A 15) HD2 GLU( 13 A 19) HE2 ASP( 13 A 35) HD2 ASP( 13 A 36) HD2 ASP( 13 A 37) HD2 GLU( 13 A 41) HE2 ASP( 13 A 53) HD2 GLU( 13 A 58) HE2 ASP( 13 A 60) HD2 ASP( 13 A 64) HD2 ASP( 13 A 73) HD2 HIS( 13 A 77) HE2 ASP( 14 A 9) HD2 ASP( 14 A 10) HD2 HIS( 14 A 12) HE2 ASP( 14 A 15) HD2 GLU( 14 A 19) HE2 ASP( 14 A 35) HD2 ASP( 14 A 36) HD2 ASP( 14 A 37) HD2 GLU( 14 A 41) HE2 ASP( 14 A 53) HD2 GLU( 14 A 58) HE2 ASP( 14 A 60) HD2 ASP( 14 A 64) HD2 ASP( 14 A 73) HD2 HIS( 14 A 77) HE2 ASP( 15 A 9) HD2 ASP( 15 A 10) HD2 HIS( 15 A 12) HE2 ASP( 15 A 15) HD2 GLU( 15 A 19) HE2 ASP( 15 A 35) HD2 ASP( 15 A 36) HD2 ASP( 15 A 37) HD2 GLU( 15 A 41) HE2 ASP( 15 A 53) HD2 GLU( 15 A 58) HE2 ASP( 15 A 60) HD2 ASP( 15 A 64) HD2 ASP( 15 A 73) HD2 HIS( 15 A 77) HE2 ASP( 16 A 9) HD2 ASP( 16 A 10) HD2 HIS( 16 A 12) HE2 ASP( 16 A 15) HD2 GLU( 16 A 19) HE2 ASP( 16 A 35) HD2 ASP( 16 A 36) HD2 ASP( 16 A 37) HD2 GLU( 16 A 41) HE2 ASP( 16 A 53) HD2 GLU( 16 A 58) HE2 ASP( 16 A 60) HD2 ASP( 16 A 64) HD2 ASP( 16 A 73) HD2 HIS( 16 A 77) HE2 ASP( 17 A 9) HD2 ASP( 17 A 10) HD2 HIS( 17 A 12) HE2 ASP( 17 A 15) HD2 GLU( 17 A 19) HE2 ASP( 17 A 35) HD2 ASP( 17 A 36) HD2 ASP( 17 A 37) HD2 GLU( 17 A 41) HE2 ASP( 17 A 53) HD2 GLU( 17 A 58) HE2 ASP( 17 A 60) HD2 ASP( 17 A 64) HD2 ASP( 17 A 73) HD2 HIS( 17 A 77) HE2 ASP( 18 A 9) HD2 ASP( 18 A 10) HD2 HIS( 18 A 12) HE2 ASP( 18 A 15) HD2 GLU( 18 A 19) HE2 ASP( 18 A 35) HD2 ASP( 18 A 36) HD2 ASP( 18 A 37) HD2 GLU( 18 A 41) HE2 ASP( 18 A 53) HD2 GLU( 18 A 58) HE2 ASP( 18 A 60) HD2 ASP( 18 A 64) HD2 ASP( 18 A 73) HD2 HIS( 18 A 77) HE2 ASP( 19 A 9) HD2 ASP( 19 A 10) HD2 HIS( 19 A 12) HE2 ASP( 19 A 15) HD2 GLU( 19 A 19) HE2 ASP( 19 A 35) HD2 ASP( 19 A 36) HD2 ASP( 19 A 37) HD2 GLU( 19 A 41) HE2 ASP( 19 A 53) HD2 GLU( 19 A 58) HE2 ASP( 19 A 60) HD2 ASP( 19 A 64) HD2 ASP( 19 A 73) HD2 HIS( 19 A 77) HE2 ASP( 20 A 9) HD2 ASP( 20 A 10) HD2 HIS( 20 A 12) HE2 ASP( 20 A 15) HD2 GLU( 20 A 19) HE2 ASP( 20 A 35) HD2 ASP( 20 A 36) HD2 ASP( 20 A 37) HD2 GLU( 20 A 41) HE2 ASP( 20 A 53) HD2 GLU( 20 A 58) HE2 ASP( 20 A 60) HD2 ASP( 20 A 64) HD2 ASP( 20 A 73) HD2 HIS( 20 A 77) HE2 CHECK TERMINAL ATOMS -------------------- Terminal atom(s) showed in middle of sequence will be deleted: 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A 1H MET 1 A