May. 10, 03:41:33 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 2HB ASP 15 - A 1HB HIS 30 12 Dist = 1.24 A 2HB ASN 40 - A 1HB ASP 43 16 Dist = 1.37 A 2HB ASP 15 - A 1HB HIS 30 11 Dist = 1.38 A HD2 TYR 2 - A 2HA GLY 16 19 Dist = 1.39 A 1HB ASP 31 - A H ASN 35 8 Dist = 1.40 A 2HB ASP 15 - A 1HB HIS 30 18 Dist = 1.41 A 2HB ASP 15 - A 1HB HIS 30 1 Dist = 1.43 A 1HB ASP 31 - A 1HB ASN 35 4 Dist = 1.45 A 2HE LYS 7 - A HA ASP 43 12 Dist = 1.46 A 2HD1 ILE 39 - A HB VAL 44 17 Dist = 1.49 A 1HB ASP 31 - A 1HB ASN 35 10 Dist = 1.49 A 1HB ALA 5 - A 1HB GLN 46 11 Dist = 1.50 A 3HB ALA 5 - A 1HB GLN 46 20 Dist = 1.51 A 2HB ALA 5 - A 2HB GLN 46 3 Dist = 1.52 A 1HB ALA 5 - A 2HB GLN 46 7 Dist = 1.52 A HH TYR 29 - A 1HE MET 37 19 Dist = 1.54 A 1HG2 THR 24 - A HG LEU 26 11 Dist = 1.54 A HG SER 28 - A 1HG GLN 38 18 Dist = 1.54 A 1HD1 ILE 39 - A HB VAL 44 4 Dist = 1.56 A 1HB ASP 31 - A 1HB ASN 35 13 Dist = 1.56 A HA TYR 2 - A 2HG GLU 49 4 Dist = 1.57 A 2HB ALA 5 - A 2HG GLN 46 2 Dist = 1.57 A 1HB ALA 5 - A 1HB GLN 46 12 Dist = 1.57 A 1HZ LYS 7 - A OD2 ASP 42 6 Dist = 1.58 A 3HZ LYS 7 - A OD2 ASP 43 16 Dist = 1.59 A HB THR 14 - A H GLY 16 17 Dist = 1.59 A HG1 THR 6 - A OD2 ASP 8 19 Dist = 1.59 A OD1 ASP 21 - A HG1 THR 24 19 Dist = 1.60 A 2HB ASP 15 - A 1HB HIS 30 9 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 0.004 Angstroms The following table contains a list of the covalent bonds greater than 6.0*RMSD. Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary Name ID Number Distance Value ------------------------------------------------------------------------ -0.030 THR A 24 19 CB - CG2 1.491 1.521 *** Covalent Angle Values: The RMS deviation for covalent angles relative to the standard dictionary is 0.7 degrees. The following table contains a list of the covalent bond angles greater than 6.0*RMSD. Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary Name ID Number Angle Value -------------------------------------------------------------------------------- -4.3 GLY A 16 4 N - CA - C 108.2 112.5 5.7 LYS A 17 4 N - CA - C 116.9 111.2 -4.8 ASP A 15 7 N - CA - C 106.4 111.2 -4.3 ILE A 47 10 N - CA - C 106.9 111.2 -5.1 ASP A 15 11 N - CA - C 106.1 111.2 -4.8 ASP A 15 18 N - CA - C 106.4 111.2 -4.3 ASP A 15 20 N - CA - C 106.9 111.2 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 32 1HE2 1 A GLN 32 2HE2 1 A GLN 33 1HE2 1 A GLN 33 2HE2 1 A ASN 35 1HD2 1 A ASN 35 2HD2 1 A GLN 38 1HE2 1 A GLN 38 2HE2 1 A ASN 40 1HD2 1 A ASN 40 2HD2 1 A GLN 46 1HE2 1 A GLN 46 2HE2 2 A GLN 32 1HE2 2 A GLN 32 2HE2 2 A GLN 33 1HE2 2 A GLN 33 2HE2 2 A ASN 35 1HD2 2 A ASN 35 2HD2 2 A GLN 38 1HE2 2 A GLN 38 2HE2 2 A ASN 40 1HD2 2 A ASN 40 2HD2 2 A GLN 46 1HE2 2 A GLN 46 2HE2 3 A GLN 32 1HE2 3 A GLN 32 2HE2 3 A GLN 33 1HE2 3 A GLN 33 2HE2 3 A ASN 35 1HD2 3 A ASN 35 2HD2 3 A GLN 38 1HE2 3 A GLN 38 2HE2 3 A ASN 40 1HD2 3 A ASN 40 2HD2 3 A GLN 46 1HE2 3 A GLN 46 2HE2 4 A GLN 32 1HE2 4 A GLN 32 2HE2 4 A GLN 33 1HE2 4 A GLN 33 2HE2 4 A ASN 35 1HD2 4 A ASN 35 2HD2 4 A GLN 38 1HE2 4 A GLN 38 2HE2 4 A ASN 40 1HD2 4 A ASN 40 2HD2 4 A GLN 46 1HE2 4 A GLN 46 2HE2 5 A GLN 32 1HE2 5 A GLN 32 2HE2 5 A GLN 33 1HE2 5 A GLN 33 2HE2 5 A ASN 35 1HD2 5 A ASN 35 2HD2 5 A GLN 38 1HE2 5 A GLN 38 2HE2 5 A ASN 40 1HD2 5 A ASN 40 2HD2 5 A GLN 46 1HE2 5 A GLN 46 2HE2 6 A GLN 32 1HE2 6 A GLN 32 2HE2 6 A GLN 33 1HE2 6 A GLN 33 2HE2 6 A ASN 35 1HD2 6 A ASN 35 2HD2 6 A GLN 38 1HE2 6 A GLN 38 2HE2 6 A ASN 40 1HD2 6 A ASN 40 2HD2 6 A GLN 46 1HE2 6 A GLN 46 2HE2 7 A GLN 32 1HE2 7 A GLN 32 2HE2 7 A GLN 33 1HE2 7 A GLN 33 2HE2 7 A ASN 35 1HD2 7 A ASN 35 2HD2 7 A GLN 38 1HE2 7 A GLN 38 2HE2 7 A ASN 40 1HD2 7 A ASN 40 2HD2 7 A GLN 46 1HE2 7 A GLN 46 2HE2 8 A GLN 32 1HE2 8 A GLN 32 2HE2 8 A GLN 33 1HE2 8 A GLN 33 2HE2 8 A ASN 35 1HD2 8 A ASN 35 2HD2 8 A GLN 38 1HE2 8 A GLN 38 2HE2 8 A ASN 40 1HD2 8 A ASN 40 2HD2 8 A GLN 46 1HE2 8 A GLN 46 2HE2 9 A GLN 32 1HE2 9 A GLN 32 2HE2 9 A GLN 33 1HE2 9 A GLN 33 2HE2 9 A ASN 35 1HD2 9 A ASN 35 2HD2 9 A GLN 38 1HE2 9 A GLN 38 2HE2 9 A ASN 40 1HD2 9 A ASN 40 2HD2 9 A GLN 46 1HE2 9 A GLN 46 2HE2 10 A GLN 32 1HE2 10 A GLN 32 2HE2 10 A GLN 33 1HE2 10 A GLN 33 2HE2 10 A ASN 35 1HD2 10 A ASN 35 2HD2 10 A GLN 38 1HE2 10 A GLN 38 2HE2 10 A ASN 40 1HD2 10 A ASN 40 2HD2 10 A GLN 46 1HE2 10 A GLN 46 2HE2 11 A GLN 32 1HE2 11 A GLN 32 2HE2 11 A GLN 33 1HE2 11 A GLN 33 2HE2 11 A ASN 35 1HD2 11 A ASN 35 2HD2 11 A GLN 38 1HE2 11 A GLN 38 2HE2 11 A ASN 40 1HD2 11 A ASN 40 2HD2 11 A GLN 46 1HE2 11 A GLN 46 2HE2 12 A GLN 32 1HE2 12 A GLN 32 2HE2 12 A GLN 33 1HE2 12 A GLN 33 2HE2 12 A ASN 35 1HD2 12 A ASN 35 2HD2 12 A GLN 38 1HE2 12 A GLN 38 2HE2 12 A ASN 40 1HD2 12 A ASN 40 2HD2 12 A GLN 46 1HE2 12 A GLN 46 2HE2 13 A GLN 32 1HE2 13 A GLN 32 2HE2 13 A GLN 33 1HE2 13 A GLN 33 2HE2 13 A ASN 35 1HD2 13 A ASN 35 2HD2 13 A GLN 38 1HE2 13 A GLN 38 2HE2 13 A ASN 40 1HD2 13 A ASN 40 2HD2 13 A GLN 46 1HE2 13 A GLN 46 2HE2 14 A GLN 32 1HE2 14 A GLN 32 2HE2 14 A GLN 33 1HE2 14 A GLN 33 2HE2 14 A ASN 35 1HD2 14 A ASN 35 2HD2 14 A GLN 38 1HE2 14 A GLN 38 2HE2 14 A ASN 40 1HD2 14 A ASN 40 2HD2 14 A GLN 46 1HE2 14 A GLN 46 2HE2 15 A GLN 32 1HE2 15 A GLN 32 2HE2 15 A GLN 33 1HE2 15 A GLN 33 2HE2 15 A ASN 35 1HD2 15 A ASN 35 2HD2 15 A GLN 38 1HE2 15 A GLN 38 2HE2 15 A ASN 40 1HD2 15 A ASN 40 2HD2 15 A GLN 46 1HE2 15 A GLN 46 2HE2 16 A GLN 32 1HE2 16 A GLN 32 2HE2 16 A GLN 33 1HE2 16 A GLN 33 2HE2 16 A ASN 35 1HD2 16 A ASN 35 2HD2 16 A GLN 38 1HE2 16 A GLN 38 2HE2 16 A ASN 40 1HD2 16 A ASN 40 2HD2 16 A GLN 46 1HE2 16 A GLN 46 2HE2 17 A GLN 32 1HE2 17 A GLN 32 2HE2 17 A GLN 33 1HE2 17 A GLN 33 2HE2 17 A ASN 35 1HD2 17 A ASN 35 2HD2 17 A GLN 38 1HE2 17 A GLN 38 2HE2 17 A ASN 40 1HD2 17 A ASN 40 2HD2 17 A GLN 46 1HE2 17 A GLN 46 2HE2 18 A GLN 32 1HE2 18 A GLN 32 2HE2 18 A GLN 33 1HE2 18 A GLN 33 2HE2 18 A ASN 35 1HD2 18 A ASN 35 2HD2 18 A GLN 38 1HE2 18 A GLN 38 2HE2 18 A ASN 40 1HD2 18 A ASN 40 2HD2 18 A GLN 46 1HE2 18 A GLN 46 2HE2 19 A GLN 32 1HE2 19 A GLN 32 2HE2 19 A GLN 33 1HE2 19 A GLN 33 2HE2 19 A ASN 35 1HD2 19 A ASN 35 2HD2 19 A GLN 38 1HE2 19 A GLN 38 2HE2 19 A ASN 40 1HD2 19 A ASN 40 2HD2 19 A GLN 46 1HE2 19 A GLN 46 2HE2 20 A GLN 32 1HE2 20 A GLN 32 2HE2 20 A GLN 33 1HE2 20 A GLN 33 2HE2 20 A ASN 35 1HD2 20 A ASN 35 2HD2 20 A GLN 38 1HE2 20 A GLN 38 2HE2 20 A ASN 40 1HD2 20 A ASN 40 2HD2 20 A GLN 46 1HE2 20 A GLN 46 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 -60 ) SER( 1 A -59 ) SER( 1 A -58 ) ASP( 1 A -57 ) TYR( 1 A -56 ) VAL( 1 A -55 ) MET( 1 A -54 ) ALA( 1 A -53 ) THR( 1 A -52 ) LYS( 1 A -51 ) ASP( 1 A -50 ) GLY( 1 A -49 ) ARG( 1 A -48 ) MET( 1 A -47 ) ILE( 1 A -46 ) LEU( 1 A -45 ) THR( 1 A -44 ) ASP( 1 A -43 ) GLY( 1 A -42 ) LYS( 1 A -41 ) PRO( 1 A -40 ) GLU( 1 A -39 ) ILE( 1 A -38 ) ASP( 1 A -37 ) ASP( 1 A -36 ) ASP( 1 A -35 ) THR( 1 A -34 ) GLY( 1 A -33 ) LEU( 1 A -32 ) VAL( 1 A -31 ) SER( 1 A -30 ) TYR( 1 A -29 ) HIS( 1 A -28 ) ASP( 1 A -27 ) GLN( 1 A -26 ) GLN( 1 A -25 ) GLY( 1 A -24 ) ASN( 1 A -23 ) ALA( 1 A -22 ) MET( 1 A -21 ) GLN( 1 A -20 ) ILE( 1 A -19 ) ASN( 1 A -18 ) ARG( 1 A -17 ) ASP( 1 A -16 ) ASP( 1 A -15 ) VAL( 1 A -14 ) SER( 1 A -13 ) GLN( 1 A -12 ) ILE( 1 A -11 ) ILE( 1 A -10 ) GLU( 1 A -9 ) ARG( 1 A -8 ) LEU( 1 A -7 ) GLU( 1 A -6 ) HIS( 1 A -5 ) HIS( 1 A -4 ) HIS( 1 A -3 ) HIS( 1 A -2 ) HIS( 1 A -1 ) HIS( 1 A 0 ) MET( 2 A -60 ) SER( 2 A -59 ) SER( 2 A -58 ) ASP( 2 A -57 ) TYR( 2 A -56 ) VAL( 2 A -55 ) MET( 2 A -54 ) ALA( 2 A -53 ) THR( 2 A -52 ) LYS( 2 A -51 ) ASP( 2 A -50 ) GLY( 2 A -49 ) ARG( 2 A -48 ) MET( 2 A -47 ) ILE( 2 A -46 ) LEU( 2 A -45 ) THR( 2 A -44 ) ASP( 2 A -43 ) GLY( 2 A -42 ) LYS( 2 A -41 ) PRO( 2 A -40 ) GLU( 2 A -39 ) ILE( 2 A -38 ) ASP( 2 A -37 ) ASP( 2 A -36 ) ASP( 2 A -35 ) THR( 2 A -34 ) GLY( 2 A -33 ) LEU( 2 A -32 ) VAL( 2 A -31 ) SER( 2 A -30 ) TYR( 2 A -29 ) HIS( 2 A -28 ) ASP( 2 A -27 ) GLN( 2 A -26 ) GLN( 2 A -25 ) GLY( 2 A -24 ) ASN( 2 A -23 ) ALA( 2 A -22 ) MET( 2 A -21 ) GLN( 2 A -20 ) ILE( 2 A -19 ) ASN( 2 A -18 ) ARG( 2 A -17 ) ASP( 2 A -16 ) ASP( 2 A -15 ) VAL( 2 A -14 ) SER( 2 A -13 ) GLN( 2 A -12 ) ILE( 2 A -11 ) ILE( 2 A -10 ) GLU( 2 A -9 ) ARG( 2 A -8 ) LEU( 2 A -7 ) GLU( 2 A -6 ) HIS( 2 A -5 ) HIS( 2 A -4 ) HIS( 2 A -3 ) HIS( 2 A -2 ) HIS( 2 A -1 ) HIS( 2 A 0 ) MET( 3 A -60 ) SER( 3 A -59 ) SER( 3 A -58 ) ASP( 3 A -57 ) TYR( 3 A -56 ) VAL( 3 A -55 ) MET( 3 A -54 ) ALA( 3 A -53 ) THR( 3 A -52 ) LYS( 3 A -51 ) ASP( 3 A -50 ) GLY( 3 A -49 ) ARG( 3 A -48 ) MET( 3 A -47 ) ILE( 3 A -46 ) LEU( 3 A -45 ) THR( 3 A -44 ) ASP( 3 A -43 ) GLY( 3 A -42 ) LYS( 3 A -41 ) PRO( 3 A -40 ) GLU( 3 A -39 ) ILE( 3 A -38 ) ASP( 3 A -37 ) ASP( 3 A -36 ) ASP( 3 A -35 ) THR( 3 A -34 ) GLY( 3 A -33 ) LEU( 3 A -32 ) VAL( 3 A -31 ) SER( 3 A -30 ) TYR( 3 A -29 ) HIS( 3 A -28 ) ASP( 3 A -27 ) GLN( 3 A -26 ) GLN( 3 A -25 ) GLY( 3 A -24 ) ASN( 3 A -23 ) ALA( 3 A -22 ) MET( 3 A -21 ) GLN( 3 A -20 ) ILE( 3 A -19 ) ASN( 3 A -18 ) ARG( 3 A -17 ) ASP( 3 A -16 ) ASP( 3 A -15 ) VAL( 3 A -14 ) SER( 3 A -13 ) GLN( 3 A -12 ) ILE( 3 A -11 ) ILE( 3 A -10 ) GLU( 3 A -9 ) ARG( 3 A -8 ) LEU( 3 A -7 ) GLU( 3 A -6 ) HIS( 3 A -5 ) HIS( 3 A -4 ) HIS( 3 A -3 ) HIS( 3 A -2 ) HIS( 3 A -1 ) HIS( 3 A 0 ) MET( 4 A -60 ) SER( 4 A -59 ) SER( 4 A -58 ) ASP( 4 A -57 ) TYR( 4 A -56 ) VAL( 4 A -55 ) MET( 4 A -54 ) ALA( 4 A -53 ) THR( 4 A -52 ) LYS( 4 A -51 ) ASP( 4 A -50 ) GLY( 4 A -49 ) ARG( 4 A -48 ) MET( 4 A -47 ) ILE( 4 A -46 ) LEU( 4 A -45 ) THR( 4 A -44 ) ASP( 4 A -43 ) GLY( 4 A -42 ) LYS( 4 A -41 ) PRO( 4 A -40 ) GLU( 4 A -39 ) ILE( 4 A -38 ) ASP( 4 A -37 ) ASP( 4 A -36 ) ASP( 4 A -35 ) THR( 4 A -34 ) GLY( 4 A -33 ) LEU( 4 A -32 ) VAL( 4 A -31 ) SER( 4 A -30 ) TYR( 4 A -29 ) HIS( 4 A -28 ) ASP( 4 A -27 ) GLN( 4 A -26 ) GLN( 4 A -25 ) GLY( 4 A -24 ) ASN( 4 A -23 ) ALA( 4 A -22 ) MET( 4 A -21 ) GLN( 4 A -20 ) ILE( 4 A -19 ) ASN( 4 A -18 ) ARG( 4 A -17 ) ASP( 4 A -16 ) ASP( 4 A -15 ) VAL( 4 A -14 ) SER( 4 A -13 ) GLN( 4 A -12 ) ILE( 4 A -11 ) ILE( 4 A -10 ) GLU( 4 A -9 ) ARG( 4 A -8 ) LEU( 4 A -7 ) GLU( 4 A -6 ) HIS( 4 A -5 ) HIS( 4 A -4 ) HIS( 4 A -3 ) HIS( 4 A -2 ) HIS( 4 A -1 ) HIS( 4 A 0 ) MET( 5 A -60 ) SER( 5 A -59 ) SER( 5 A -58 ) ASP( 5 A -57 ) TYR( 5 A -56 ) VAL( 5 A -55 ) MET( 5 A -54 ) ALA( 5 A -53 ) THR( 5 A -52 ) LYS( 5 A -51 ) ASP( 5 A -50 ) GLY( 5 A -49 ) ARG( 5 A -48 ) MET( 5 A -47 ) ILE( 5 A -46 ) LEU( 5 A -45 ) THR( 5 A -44 ) ASP( 5 A -43 ) GLY( 5 A -42 ) LYS( 5 A -41 ) PRO( 5 A -40 ) GLU( 5 A -39 ) ILE( 5 A -38 ) ASP( 5 A -37 ) ASP( 5 A -36 ) ASP( 5 A -35 ) THR( 5 A -34 ) GLY( 5 A -33 ) LEU( 5 A -32 ) VAL( 5 A -31 ) SER( 5 A -30 ) TYR( 5 A -29 ) HIS( 5 A -28 ) ASP( 5 A -27 ) GLN( 5 A -26 ) GLN( 5 A -25 ) GLY( 5 A -24 ) ASN( 5 A -23 ) ALA( 5 A -22 ) MET( 5 A -21 ) GLN( 5 A -20 ) ILE( 5 A -19 ) ASN( 5 A -18 ) ARG( 5 A -17 ) ASP( 5 A -16 ) ASP( 5 A -15 ) VAL( 5 A -14 ) SER( 5 A -13 ) GLN( 5 A -12 ) ILE( 5 A -11 ) ILE( 5 A -10 ) GLU( 5 A -9 ) ARG( 5 A -8 ) LEU( 5 A -7 ) GLU( 5 A -6 ) HIS( 5 A -5 ) HIS( 5 A -4 ) HIS( 5 A -3 ) HIS( 5 A -2 ) HIS( 5 A -1 ) HIS( 5 A 0 ) MET( 6 A -60 ) SER( 6 A -59 ) SER( 6 A -58 ) ASP( 6 A -57 ) TYR( 6 A -56 ) VAL( 6 A -55 ) MET( 6 A -54 ) ALA( 6 A -53 ) THR( 6 A -52 ) LYS( 6 A -51 ) ASP( 6 A -50 ) GLY( 6 A -49 ) ARG( 6 A -48 ) MET( 6 A -47 ) ILE( 6 A -46 ) LEU( 6 A -45 ) THR( 6 A -44 ) ASP( 6 A -43 ) GLY( 6 A -42 ) LYS( 6 A -41 ) PRO( 6 A -40 ) GLU( 6 A -39 ) ILE( 6 A -38 ) ASP( 6 A -37 ) ASP( 6 A -36 ) ASP( 6 A -35 ) THR( 6 A -34 ) GLY( 6 A -33 ) LEU( 6 A -32 ) VAL( 6 A -31 ) SER( 6 A -30 ) TYR( 6 A -29 ) HIS( 6 A -28 ) ASP( 6 A -27 ) GLN( 6 A -26 ) GLN( 6 A -25 ) GLY( 6 A -24 ) ASN( 6 A -23 ) ALA( 6 A -22 ) MET( 6 A -21 ) GLN( 6 A -20 ) ILE( 6 A -19 ) ASN( 6 A -18 ) ARG( 6 A -17 ) ASP( 6 A -16 ) ASP( 6 A -15 ) VAL( 6 A -14 ) SER( 6 A -13 ) GLN( 6 A -12 ) ILE( 6 A -11 ) ILE( 6 A -10 ) GLU( 6 A -9 ) ARG( 6 A -8 ) LEU( 6 A -7 ) GLU( 6 A -6 ) HIS( 6 A -5 ) HIS( 6 A -4 ) HIS( 6 A -3 ) HIS( 6 A -2 ) HIS( 6 A -1 ) HIS( 6 A 0 ) MET( 7 A -60 ) SER( 7 A -59 ) SER( 7 A -58 ) ASP( 7 A -57 ) TYR( 7 A -56 ) VAL( 7 A -55 ) MET( 7 A -54 ) ALA( 7 A -53 ) THR( 7 A -52 ) LYS( 7 A -51 ) ASP( 7 A -50 ) GLY( 7 A -49 ) ARG( 7 A -48 ) MET( 7 A -47 ) ILE( 7 A -46 ) LEU( 7 A -45 ) THR( 7 A -44 ) ASP( 7 A -43 ) GLY( 7 A -42 ) LYS( 7 A -41 ) PRO( 7 A -40 ) GLU( 7 A -39 ) ILE( 7 A -38 ) ASP( 7 A -37 ) ASP( 7 A -36 ) ASP( 7 A -35 ) THR( 7 A -34 ) GLY( 7 A -33 ) LEU( 7 A -32 ) VAL( 7 A -31 ) SER( 7 A -30 ) TYR( 7 A -29 ) HIS( 7 A -28 ) ASP( 7 A -27 ) GLN( 7 A -26 ) GLN( 7 A -25 ) GLY( 7 A -24 ) ASN( 7 A -23 ) ALA( 7 A -22 ) MET( 7 A -21 ) GLN( 7 A -20 ) ILE( 7 A -19 ) ASN( 7 A -18 ) ARG( 7 A -17 ) ASP( 7 A -16 ) ASP( 7 A -15 ) VAL( 7 A -14 ) SER( 7 A -13 ) GLN( 7 A -12 ) ILE( 7 A -11 ) ILE( 7 A -10 ) GLU( 7 A -9 ) ARG( 7 A -8 ) LEU( 7 A -7 ) GLU( 7 A -6 ) HIS( 7 A -5 ) HIS( 7 A -4 ) HIS( 7 A -3 ) HIS( 7 A -2 ) HIS( 7 A -1 ) HIS( 7 A 0 ) MET( 8 A -60 ) SER( 8 A -59 ) SER( 8 A -58 ) ASP( 8 A -57 ) TYR( 8 A -56 ) VAL( 8 A -55 ) MET( 8 A -54 ) ALA( 8 A -53 ) THR( 8 A -52 ) LYS( 8 A -51 ) ASP( 8 A -50 ) GLY( 8 A -49 ) ARG( 8 A -48 ) MET( 8 A -47 ) ILE( 8 A -46 ) LEU( 8 A -45 ) THR( 8 A -44 ) ASP( 8 A -43 ) GLY( 8 A -42 ) LYS( 8 A -41 ) PRO( 8 A -40 ) GLU( 8 A -39 ) ILE( 8 A -38 ) ASP( 8 A -37 ) ASP( 8 A -36 ) ASP( 8 A -35 ) THR( 8 A -34 ) GLY( 8 A -33 ) LEU( 8 A -32 ) VAL( 8 A -31 ) SER( 8 A -30 ) TYR( 8 A -29 ) HIS( 8 A -28 ) ASP( 8 A -27 ) GLN( 8 A -26 ) GLN( 8 A -25 ) GLY( 8 A -24 ) ASN( 8 A -23 ) ALA( 8 A -22 ) MET( 8 A -21 ) GLN( 8 A -20 ) ILE( 8 A -19 ) ASN( 8 A -18 ) ARG( 8 A -17 ) ASP( 8 A -16 ) ASP( 8 A -15 ) VAL( 8 A -14 ) SER( 8 A -13 ) GLN( 8 A -12 ) ILE( 8 A -11 ) ILE( 8 A -10 ) GLU( 8 A -9 ) ARG( 8 A -8 ) LEU( 8 A -7 ) GLU( 8 A -6 ) HIS( 8 A -5 ) HIS( 8 A -4 ) HIS( 8 A -3 ) HIS( 8 A -2 ) HIS( 8 A -1 ) HIS( 8 A 0 ) MET( 9 A -60 ) SER( 9 A -59 ) SER( 9 A -58 ) ASP( 9 A -57 ) TYR( 9 A -56 ) VAL( 9 A -55 ) MET( 9 A -54 ) ALA( 9 A -53 ) THR( 9 A -52 ) LYS( 9 A -51 ) ASP( 9 A -50 ) GLY( 9 A -49 ) ARG( 9 A -48 ) MET( 9 A -47 ) ILE( 9 A -46 ) LEU( 9 A -45 ) THR( 9 A -44 ) ASP( 9 A -43 ) GLY( 9 A -42 ) LYS( 9 A -41 ) PRO( 9 A -40 ) GLU( 9 A -39 ) ILE( 9 A -38 ) ASP( 9 A -37 ) ASP( 9 A -36 ) ASP( 9 A -35 ) THR( 9 A -34 ) GLY( 9 A -33 ) LEU( 9 A -32 ) VAL( 9 A -31 ) SER( 9 A -30 ) TYR( 9 A -29 ) HIS( 9 A -28 ) ASP( 9 A -27 ) GLN( 9 A -26 ) GLN( 9 A -25 ) GLY( 9 A -24 ) ASN( 9 A -23 ) ALA( 9 A -22 ) MET( 9 A -21 ) GLN( 9 A -20 ) ILE( 9 A -19 ) ASN( 9 A -18 ) ARG( 9 A -17 ) ASP( 9 A -16 ) ASP( 9 A -15 ) VAL( 9 A -14 ) SER( 9 A -13 ) GLN( 9 A -12 ) ILE( 9 A -11 ) ILE( 9 A -10 ) GLU( 9 A -9 ) ARG( 9 A -8 ) LEU( 9 A -7 ) GLU( 9 A -6 ) HIS( 9 A -5 ) HIS( 9 A -4 ) HIS( 9 A -3 ) HIS( 9 A -2 ) HIS( 9 A -1 ) HIS( 9 A 0 ) MET( 10 A -60 ) SER( 10 A -59 ) SER( 10 A -58 ) ASP( 10 A -57 ) TYR( 10 A -56 ) VAL( 10 A -55 ) MET( 10 A -54 ) ALA( 10 A -53 ) THR( 10 A -52 ) LYS( 10 A -51 ) ASP( 10 A -50 ) GLY( 10 A -49 ) ARG( 10 A -48 ) MET( 10 A -47 ) ILE( 10 A -46 ) LEU( 10 A -45 ) THR( 10 A -44 ) ASP( 10 A -43 ) GLY( 10 A -42 ) LYS( 10 A -41 ) PRO( 10 A -40 ) GLU( 10 A -39 ) ILE( 10 A -38 ) ASP( 10 A -37 ) ASP( 10 A -36 ) ASP( 10 A -35 ) THR( 10 A -34 ) GLY( 10 A -33 ) LEU( 10 A -32 ) VAL( 10 A -31 ) SER( 10 A -30 ) TYR( 10 A -29 ) HIS( 10 A -28 ) ASP( 10 A -27 ) GLN( 10 A -26 ) GLN( 10 A -25 ) GLY( 10 A -24 ) ASN( 10 A -23 ) ALA( 10 A -22 ) MET( 10 A -21 ) GLN( 10 A -20 ) ILE( 10 A -19 ) ASN( 10 A -18 ) ARG( 10 A -17 ) ASP( 10 A -16 ) ASP( 10 A -15 ) VAL( 10 A -14 ) SER( 10 A -13 ) GLN( 10 A -12 ) ILE( 10 A -11 ) ILE( 10 A -10 ) GLU( 10 A -9 ) ARG( 10 A -8 ) LEU( 10 A -7 ) GLU( 10 A -6 ) HIS( 10 A -5 ) HIS( 10 A -4 ) HIS( 10 A -3 ) HIS( 10 A -2 ) HIS( 10 A -1 ) HIS( 10 A 0 ) MET( 11 A -60 ) SER( 11 A -59 ) SER( 11 A -58 ) ASP( 11 A -57 ) TYR( 11 A -56 ) VAL( 11 A -55 ) MET( 11 A -54 ) ALA( 11 A -53 ) THR( 11 A -52 ) LYS( 11 A -51 ) ASP( 11 A -50 ) GLY( 11 A -49 ) ARG( 11 A -48 ) MET( 11 A -47 ) ILE( 11 A -46 ) LEU( 11 A -45 ) THR( 11 A -44 ) ASP( 11 A -43 ) GLY( 11 A -42 ) LYS( 11 A -41 ) PRO( 11 A -40 ) GLU( 11 A -39 ) ILE( 11 A -38 ) ASP( 11 A -37 ) ASP( 11 A -36 ) ASP( 11 A -35 ) THR( 11 A -34 ) GLY( 11 A -33 ) LEU( 11 A -32 ) VAL( 11 A -31 ) SER( 11 A -30 ) TYR( 11 A -29 ) HIS( 11 A -28 ) ASP( 11 A -27 ) GLN( 11 A -26 ) GLN( 11 A -25 ) GLY( 11 A -24 ) ASN( 11 A -23 ) ALA( 11 A -22 ) MET( 11 A -21 ) GLN( 11 A -20 ) ILE( 11 A -19 ) ASN( 11 A -18 ) ARG( 11 A -17 ) ASP( 11 A -16 ) ASP( 11 A -15 ) VAL( 11 A -14 ) SER( 11 A -13 ) GLN( 11 A -12 ) ILE( 11 A -11 ) ILE( 11 A -10 ) GLU( 11 A -9 ) ARG( 11 A -8 ) LEU( 11 A -7 ) GLU( 11 A -6 ) HIS( 11 A -5 ) HIS( 11 A -4 ) HIS( 11 A -3 ) HIS( 11 A -2 ) HIS( 11 A -1 ) HIS( 11 A 0 ) MET( 12 A -60 ) SER( 12 A -59 ) SER( 12 A -58 ) ASP( 12 A -57 ) TYR( 12 A -56 ) VAL( 12 A -55 ) MET( 12 A -54 ) ALA( 12 A -53 ) THR( 12 A -52 ) LYS( 12 A -51 ) ASP( 12 A -50 ) GLY( 12 A -49 ) ARG( 12 A -48 ) MET( 12 A -47 ) ILE( 12 A -46 ) LEU( 12 A -45 ) THR( 12 A -44 ) ASP( 12 A -43 ) GLY( 12 A -42 ) LYS( 12 A -41 ) PRO( 12 A -40 ) GLU( 12 A -39 ) ILE( 12 A -38 ) ASP( 12 A -37 ) ASP( 12 A -36 ) ASP( 12 A -35 ) THR( 12 A -34 ) GLY( 12 A -33 ) LEU( 12 A -32 ) VAL( 12 A -31 ) SER( 12 A -30 ) TYR( 12 A -29 ) HIS( 12 A -28 ) ASP( 12 A -27 ) GLN( 12 A -26 ) GLN( 12 A -25 ) GLY( 12 A -24 ) ASN( 12 A -23 ) ALA( 12 A -22 ) MET( 12 A -21 ) GLN( 12 A -20 ) ILE( 12 A -19 ) ASN( 12 A -18 ) ARG( 12 A -17 ) ASP( 12 A -16 ) ASP( 12 A -15 ) VAL( 12 A -14 ) SER( 12 A -13 ) GLN( 12 A -12 ) ILE( 12 A -11 ) ILE( 12 A -10 ) GLU( 12 A -9 ) ARG( 12 A -8 ) LEU( 12 A -7 ) GLU( 12 A -6 ) HIS( 12 A -5 ) HIS( 12 A -4 ) HIS( 12 A -3 ) HIS( 12 A -2 ) HIS( 12 A -1 ) HIS( 12 A 0 ) MET( 13 A -60 ) SER( 13 A -59 ) SER( 13 A -58 ) ASP( 13 A -57 ) TYR( 13 A -56 ) VAL( 13 A -55 ) MET( 13 A -54 ) ALA( 13 A -53 ) THR( 13 A -52 ) LYS( 13 A -51 ) ASP( 13 A -50 ) GLY( 13 A -49 ) ARG( 13 A -48 ) MET( 13 A -47 ) ILE( 13 A -46 ) LEU( 13 A -45 ) THR( 13 A -44 ) ASP( 13 A -43 ) GLY( 13 A -42 ) LYS( 13 A -41 ) PRO( 13 A -40 ) GLU( 13 A -39 ) ILE( 13 A -38 ) ASP( 13 A -37 ) ASP( 13 A -36 ) ASP( 13 A -35 ) THR( 13 A -34 ) GLY( 13 A -33 ) LEU( 13 A -32 ) VAL( 13 A -31 ) SER( 13 A -30 ) TYR( 13 A -29 ) HIS( 13 A -28 ) ASP( 13 A -27 ) GLN( 13 A -26 ) GLN( 13 A -25 ) GLY( 13 A -24 ) ASN( 13 A -23 ) ALA( 13 A -22 ) MET( 13 A -21 ) GLN( 13 A -20 ) ILE( 13 A -19 ) ASN( 13 A -18 ) ARG( 13 A -17 ) ASP( 13 A -16 ) ASP( 13 A -15 ) VAL( 13 A -14 ) SER( 13 A -13 ) GLN( 13 A -12 ) ILE( 13 A -11 ) ILE( 13 A -10 ) GLU( 13 A -9 ) ARG( 13 A -8 ) LEU( 13 A -7 ) GLU( 13 A -6 ) HIS( 13 A -5 ) HIS( 13 A -4 ) HIS( 13 A -3 ) HIS( 13 A -2 ) HIS( 13 A -1 ) HIS( 13 A 0 ) MET( 14 A -60 ) SER( 14 A -59 ) SER( 14 A -58 ) ASP( 14 A -57 ) TYR( 14 A -56 ) VAL( 14 A -55 ) MET( 14 A -54 ) ALA( 14 A -53 ) THR( 14 A -52 ) LYS( 14 A -51 ) ASP( 14 A -50 ) GLY( 14 A -49 ) ARG( 14 A -48 ) MET( 14 A -47 ) ILE( 14 A -46 ) LEU( 14 A -45 ) THR( 14 A -44 ) ASP( 14 A -43 ) GLY( 14 A -42 ) LYS( 14 A -41 ) PRO( 14 A -40 ) GLU( 14 A -39 ) ILE( 14 A -38 ) ASP( 14 A -37 ) ASP( 14 A -36 ) ASP( 14 A -35 ) THR( 14 A -34 ) GLY( 14 A -33 ) LEU( 14 A -32 ) VAL( 14 A -31 ) SER( 14 A -30 ) TYR( 14 A -29 ) HIS( 14 A -28 ) ASP( 14 A -27 ) GLN( 14 A -26 ) GLN( 14 A -25 ) GLY( 14 A -24 ) ASN( 14 A -23 ) ALA( 14 A -22 ) MET( 14 A -21 ) GLN( 14 A -20 ) ILE( 14 A -19 ) ASN( 14 A -18 ) ARG( 14 A -17 ) ASP( 14 A -16 ) ASP( 14 A -15 ) VAL( 14 A -14 ) SER( 14 A -13 ) GLN( 14 A -12 ) ILE( 14 A -11 ) ILE( 14 A -10 ) GLU( 14 A -9 ) ARG( 14 A -8 ) LEU( 14 A -7 ) GLU( 14 A -6 ) HIS( 14 A -5 ) HIS( 14 A -4 ) HIS( 14 A -3 ) HIS( 14 A -2 ) HIS( 14 A -1 ) HIS( 14 A 0 ) MET( 15 A -60 ) SER( 15 A -59 ) SER( 15 A -58 ) ASP( 15 A -57 ) TYR( 15 A -56 ) VAL( 15 A -55 ) MET( 15 A -54 ) ALA( 15 A -53 ) THR( 15 A -52 ) LYS( 15 A -51 ) ASP( 15 A -50 ) GLY( 15 A -49 ) ARG( 15 A -48 ) MET( 15 A -47 ) ILE( 15 A -46 ) LEU( 15 A -45 ) THR( 15 A -44 ) ASP( 15 A -43 ) GLY( 15 A -42 ) LYS( 15 A -41 ) PRO( 15 A -40 ) GLU( 15 A -39 ) ILE( 15 A -38 ) ASP( 15 A -37 ) ASP( 15 A -36 ) ASP( 15 A -35 ) THR( 15 A -34 ) GLY( 15 A -33 ) LEU( 15 A -32 ) VAL( 15 A -31 ) SER( 15 A -30 ) TYR( 15 A -29 ) HIS( 15 A -28 ) ASP( 15 A -27 ) GLN( 15 A -26 ) GLN( 15 A -25 ) GLY( 15 A -24 ) ASN( 15 A -23 ) ALA( 15 A -22 ) MET( 15 A -21 ) GLN( 15 A -20 ) ILE( 15 A -19 ) ASN( 15 A -18 ) ARG( 15 A -17 ) ASP( 15 A -16 ) ASP( 15 A -15 ) VAL( 15 A -14 ) SER( 15 A -13 ) GLN( 15 A -12 ) ILE( 15 A -11 ) ILE( 15 A -10 ) GLU( 15 A -9 ) ARG( 15 A -8 ) LEU( 15 A -7 ) GLU( 15 A -6 ) HIS( 15 A -5 ) HIS( 15 A -4 ) HIS( 15 A -3 ) HIS( 15 A -2 ) HIS( 15 A -1 ) HIS( 15 A 0 ) MET( 16 A -60 ) SER( 16 A -59 ) SER( 16 A -58 ) ASP( 16 A -57 ) TYR( 16 A -56 ) VAL( 16 A -55 ) MET( 16 A -54 ) ALA( 16 A -53 ) THR( 16 A -52 ) LYS( 16 A -51 ) ASP( 16 A -50 ) GLY( 16 A -49 ) ARG( 16 A -48 ) MET( 16 A -47 ) ILE( 16 A -46 ) LEU( 16 A -45 ) THR( 16 A -44 ) ASP( 16 A -43 ) GLY( 16 A -42 ) LYS( 16 A -41 ) PRO( 16 A -40 ) GLU( 16 A -39 ) ILE( 16 A -38 ) ASP( 16 A -37 ) ASP( 16 A -36 ) ASP( 16 A -35 ) THR( 16 A -34 ) GLY( 16 A -33 ) LEU( 16 A -32 ) VAL( 16 A -31 ) SER( 16 A -30 ) TYR( 16 A -29 ) HIS( 16 A -28 ) ASP( 16 A -27 ) GLN( 16 A -26 ) GLN( 16 A -25 ) GLY( 16 A -24 ) ASN( 16 A -23 ) ALA( 16 A -22 ) MET( 16 A -21 ) GLN( 16 A -20 ) ILE( 16 A -19 ) ASN( 16 A -18 ) ARG( 16 A -17 ) ASP( 16 A -16 ) ASP( 16 A -15 ) VAL( 16 A -14 ) SER( 16 A -13 ) GLN( 16 A -12 ) ILE( 16 A -11 ) ILE( 16 A -10 ) GLU( 16 A -9 ) ARG( 16 A -8 ) LEU( 16 A -7 ) GLU( 16 A -6 ) HIS( 16 A -5 ) HIS( 16 A -4 ) HIS( 16 A -3 ) HIS( 16 A -2 ) HIS( 16 A -1 ) HIS( 16 A 0 ) MET( 17 A -60 ) SER( 17 A -59 ) SER( 17 A -58 ) ASP( 17 A -57 ) TYR( 17 A -56 ) VAL( 17 A -55 ) MET( 17 A -54 ) ALA( 17 A -53 ) THR( 17 A -52 ) LYS( 17 A -51 ) ASP( 17 A -50 ) GLY( 17 A -49 ) ARG( 17 A -48 ) MET( 17 A -47 ) ILE( 17 A -46 ) LEU( 17 A -45 ) THR( 17 A -44 ) ASP( 17 A -43 ) GLY( 17 A -42 ) LYS( 17 A -41 ) PRO( 17 A -40 ) GLU( 17 A -39 ) ILE( 17 A -38 ) ASP( 17 A -37 ) ASP( 17 A -36 ) ASP( 17 A -35 ) THR( 17 A -34 ) GLY( 17 A -33 ) LEU( 17 A -32 ) VAL( 17 A -31 ) SER( 17 A -30 ) TYR( 17 A -29 ) HIS( 17 A -28 ) ASP( 17 A -27 ) GLN( 17 A -26 ) GLN( 17 A -25 ) GLY( 17 A -24 ) ASN( 17 A -23 ) ALA( 17 A -22 ) MET( 17 A -21 ) GLN( 17 A -20 ) ILE( 17 A -19 ) ASN( 17 A -18 ) ARG( 17 A -17 ) ASP( 17 A -16 ) ASP( 17 A -15 ) VAL( 17 A -14 ) SER( 17 A -13 ) GLN( 17 A -12 ) ILE( 17 A -11 ) ILE( 17 A -10 ) GLU( 17 A -9 ) ARG( 17 A -8 ) LEU( 17 A -7 ) GLU( 17 A -6 ) HIS( 17 A -5 ) HIS( 17 A -4 ) HIS( 17 A -3 ) HIS( 17 A -2 ) HIS( 17 A -1 ) HIS( 17 A 0 ) MET( 18 A -60 ) SER( 18 A -59 ) SER( 18 A -58 ) ASP( 18 A -57 ) TYR( 18 A -56 ) VAL( 18 A -55 ) MET( 18 A -54 ) ALA( 18 A -53 ) THR( 18 A -52 ) LYS( 18 A -51 ) ASP( 18 A -50 ) GLY( 18 A -49 ) ARG( 18 A -48 ) MET( 18 A -47 ) ILE( 18 A -46 ) LEU( 18 A -45 ) THR( 18 A -44 ) ASP( 18 A -43 ) GLY( 18 A -42 ) LYS( 18 A -41 ) PRO( 18 A -40 ) GLU( 18 A -39 ) ILE( 18 A -38 ) ASP( 18 A -37 ) ASP( 18 A -36 ) ASP( 18 A -35 ) THR( 18 A -34 ) GLY( 18 A -33 ) LEU( 18 A -32 ) VAL( 18 A -31 ) SER( 18 A -30 ) TYR( 18 A -29 ) HIS( 18 A -28 ) ASP( 18 A -27 ) GLN( 18 A -26 ) GLN( 18 A -25 ) GLY( 18 A -24 ) ASN( 18 A -23 ) ALA( 18 A -22 ) MET( 18 A -21 ) GLN( 18 A -20 ) ILE( 18 A -19 ) ASN( 18 A -18 ) ARG( 18 A -17 ) ASP( 18 A -16 ) ASP( 18 A -15 ) VAL( 18 A -14 ) SER( 18 A -13 ) GLN( 18 A -12 ) ILE( 18 A -11 ) ILE( 18 A -10 ) GLU( 18 A -9 ) ARG( 18 A -8 ) LEU( 18 A -7 ) GLU( 18 A -6 ) HIS( 18 A -5 ) HIS( 18 A -4 ) HIS( 18 A -3 ) HIS( 18 A -2 ) HIS( 18 A -1 ) HIS( 18 A 0 ) MET( 19 A -60 ) SER( 19 A -59 ) SER( 19 A -58 ) ASP( 19 A -57 ) TYR( 19 A -56 ) VAL( 19 A -55 ) MET( 19 A -54 ) ALA( 19 A -53 ) THR( 19 A -52 ) LYS( 19 A -51 ) ASP( 19 A -50 ) GLY( 19 A -49 ) ARG( 19 A -48 ) MET( 19 A -47 ) ILE( 19 A -46 ) LEU( 19 A -45 ) THR( 19 A -44 ) ASP( 19 A -43 ) GLY( 19 A -42 ) LYS( 19 A -41 ) PRO( 19 A -40 ) GLU( 19 A -39 ) ILE( 19 A -38 ) ASP( 19 A -37 ) ASP( 19 A -36 ) ASP( 19 A -35 ) THR( 19 A -34 ) GLY( 19 A -33 ) LEU( 19 A -32 ) VAL( 19 A -31 ) SER( 19 A -30 ) TYR( 19 A -29 ) HIS( 19 A -28 ) ASP( 19 A -27 ) GLN( 19 A -26 ) GLN( 19 A -25 ) GLY( 19 A -24 ) ASN( 19 A -23 ) ALA( 19 A -22 ) MET( 19 A -21 ) GLN( 19 A -20 ) ILE( 19 A -19 ) ASN( 19 A -18 ) ARG( 19 A -17 ) ASP( 19 A -16 ) ASP( 19 A -15 ) VAL( 19 A -14 ) SER( 19 A -13 ) GLN( 19 A -12 ) ILE( 19 A -11 ) ILE( 19 A -10 ) GLU( 19 A -9 ) ARG( 19 A -8 ) LEU( 19 A -7 ) GLU( 19 A -6 ) HIS( 19 A -5 ) HIS( 19 A -4 ) HIS( 19 A -3 ) HIS( 19 A -2 ) HIS( 19 A -1 ) HIS( 19 A 0 ) MET( 20 A -60 ) SER( 20 A -59 ) SER( 20 A -58 ) ASP( 20 A -57 ) TYR( 20 A -56 ) VAL( 20 A -55 ) MET( 20 A -54 ) ALA( 20 A -53 ) THR( 20 A -52 ) LYS( 20 A -51 ) ASP( 20 A -50 ) GLY( 20 A -49 ) ARG( 20 A -48 ) MET( 20 A -47 ) ILE( 20 A -46 ) LEU( 20 A -45 ) THR( 20 A -44 ) ASP( 20 A -43 ) GLY( 20 A -42 ) LYS( 20 A -41 ) PRO( 20 A -40 ) GLU( 20 A -39 ) ILE( 20 A -38 ) ASP( 20 A -37 ) ASP( 20 A -36 ) ASP( 20 A -35 ) THR( 20 A -34 ) GLY( 20 A -33 ) LEU( 20 A -32 ) VAL( 20 A -31 ) SER( 20 A -30 ) TYR( 20 A -29 ) HIS( 20 A -28 ) ASP( 20 A -27 ) GLN( 20 A -26 ) GLN( 20 A -25 ) GLY( 20 A -24 ) ASN( 20 A -23 ) ALA( 20 A -22 ) MET( 20 A -21 ) GLN( 20 A -20 ) ILE( 20 A -19 ) ASN( 20 A -18 ) ARG( 20 A -17 ) ASP( 20 A -16 ) ASP( 20 A -15 ) VAL( 20 A -14 ) SER( 20 A -13 ) GLN( 20 A -12 ) ILE( 20 A -11 ) ILE( 20 A -10 ) GLU( 20 A -9 ) ARG( 20 A -8 ) LEU( 20 A -7 ) GLU( 20 A -6 ) HIS( 20 A -5 ) HIS( 20 A -4 ) HIS( 20 A -3 ) HIS( 20 A -2 ) HIS( 20 A -1 ) HIS( 20 A 0 ) PDB Chain_ID: A 1 15 SEQRES: MET SER SER ASP TYR VAL MET ALA THR LYS ASP GLY ARG MET ILE COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 16 30 SEQRES: LEU THR ASP GLY LYS PRO GLU ILE ASP ASP ASP THR GLY LEU VAL COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 31 45 SEQRES: SER TYR HIS ASP GLN GLN GLY ASN ALA MET GLN ILE ASN ARG ASP COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 46 60 SEQRES: ASP VAL SER GLN ILE ILE GLU ARG LEU GLU HIS HIS HIS HIS HIS COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 61 75 SEQRES: HIS ASP TYR VAL MET ALA THR LYS ASP GLY ARG MET ILE LEU THR COORDS: ... ASP TYR VAL MET ALA THR LYS ASP GLY ARG MET ILE LEU THR 1 14 76 90 SEQRES: ASP GLY LYS PRO GLU ILE ASP ASP ASP THR GLY LEU VAL SER TYR COORDS: ASP GLY LYS PRO GLU ILE ASP ASP ASP THR GLY LEU VAL SER TYR 15 29 91 105 SEQRES: HIS ASP GLN GLN GLY ASN ALA MET GLN ILE ASN ARG ASP ASP VAL COORDS: HIS ASP GLN GLN GLY ASN ALA MET GLN ILE ASN ARG ASP ASP VAL 30 44 106 111 SEQRES: SER GLN ILE ILE GLU ARG COORDS: SER GLN ILE ILE GLU ARG 45 50 ==> The following residues have missing atoms: RES MOD#C SEQ ATOMS ASP( 1 A 1) HD2 ASP( 1 A 8) HD2 ASP( 1 A 15) HD2 GLU( 1 A 19) HE2 ASP( 1 A 21) HD2 ASP( 1 A 22) HD2 ASP( 1 A 23) HD2 ASP( 1 A 31) HD2 ASP( 1 A 42) HD2 ASP( 1 A 43) HD2 GLU( 1 A 49) HE2 ASP( 2 A 1) HD2 ASP( 2 A 8) HD2 ASP( 2 A 15) HD2 GLU( 2 A 19) HE2 ASP( 2 A 21) HD2 ASP( 2 A 22) HD2 ASP( 2 A 23) HD2 ASP( 2 A 31) HD2 ASP( 2 A 42) HD2 ASP( 2 A 43) HD2 GLU( 2 A 49) HE2 ASP( 3 A 1) HD2 ASP( 3 A 8) HD2 ASP( 3 A 15) HD2 GLU( 3 A 19) HE2 ASP( 3 A 21) HD2 ASP( 3 A 22) HD2 ASP( 3 A 23) HD2 ASP( 3 A 31) HD2 ASP( 3 A 42) HD2 ASP( 3 A 43) HD2 GLU( 3 A 49) HE2 ASP( 4 A 1) HD2 ASP( 4 A 8) HD2 ASP( 4 A 15) HD2 GLU( 4 A 19) HE2 ASP( 4 A 21) HD2 ASP( 4 A 22) HD2 ASP( 4 A 23) HD2 ASP( 4 A 31) HD2 ASP( 4 A 42) HD2 ASP( 4 A 43) HD2 GLU( 4 A 49) HE2 ASP( 5 A 1) HD2 ASP( 5 A 8) HD2 ASP( 5 A 15) HD2 GLU( 5 A 19) HE2 ASP( 5 A 21) HD2 ASP( 5 A 22) HD2 ASP( 5 A 23) HD2 ASP( 5 A 31) HD2 ASP( 5 A 42) HD2 ASP( 5 A 43) HD2 GLU( 5 A 49) HE2 ASP( 6 A 1) HD2 ASP( 6 A 8) HD2 ASP( 6 A 15) HD2 GLU( 6 A 19) HE2 ASP( 6 A 21) HD2 ASP( 6 A 22) HD2 ASP( 6 A 23) HD2 ASP( 6 A 31) HD2 ASP( 6 A 42) HD2 ASP( 6 A 43) HD2 GLU( 6 A 49) HE2 ASP( 7 A 1) HD2 ASP( 7 A 8) HD2 ASP( 7 A 15) HD2 GLU( 7 A 19) HE2 ASP( 7 A 21) HD2 ASP( 7 A 22) HD2 ASP( 7 A 23) HD2 ASP( 7 A 31) HD2 ASP( 7 A 42) HD2 ASP( 7 A 43) HD2 GLU( 7 A 49) HE2 ASP( 8 A 1) HD2 ASP( 8 A 8) HD2 ASP( 8 A 15) HD2 GLU( 8 A 19) HE2 ASP( 8 A 21) HD2 ASP( 8 A 22) HD2 ASP( 8 A 23) HD2 ASP( 8 A 31) HD2 ASP( 8 A 42) HD2 ASP( 8 A 43) HD2 GLU( 8 A 49) HE2 ASP( 9 A 1) HD2 ASP( 9 A 8) HD2 ASP( 9 A 15) HD2 GLU( 9 A 19) HE2 ASP( 9 A 21) HD2 ASP( 9 A 22) HD2 ASP( 9 A 23) HD2 ASP( 9 A 31) HD2 ASP( 9 A 42) HD2 ASP( 9 A 43) HD2 GLU( 9 A 49) HE2 ASP( 10 A 1) HD2 ASP( 10 A 8) HD2 ASP( 10 A 15) HD2 GLU( 10 A 19) HE2 ASP( 10 A 21) HD2 ASP( 10 A 22) HD2 ASP( 10 A 23) HD2 ASP( 10 A 31) HD2 ASP( 10 A 42) HD2 ASP( 10 A 43) HD2 GLU( 10 A 49) HE2 ASP( 11 A 1) HD2 ASP( 11 A 8) HD2 ASP( 11 A 15) HD2 GLU( 11 A 19) HE2 ASP( 11 A 21) HD2 ASP( 11 A 22) HD2 ASP( 11 A 23) HD2 ASP( 11 A 31) HD2 ASP( 11 A 42) HD2 ASP( 11 A 43) HD2 GLU( 11 A 49) HE2 ASP( 12 A 1) HD2 ASP( 12 A 8) HD2 ASP( 12 A 15) HD2 GLU( 12 A 19) HE2 ASP( 12 A 21) HD2 ASP( 12 A 22) HD2 ASP( 12 A 23) HD2 ASP( 12 A 31) HD2 ASP( 12 A 42) HD2 ASP( 12 A 43) HD2 GLU( 12 A 49) HE2 ASP( 13 A 1) HD2 ASP( 13 A 8) HD2 ASP( 13 A 15) HD2 GLU( 13 A 19) HE2 ASP( 13 A 21) HD2 ASP( 13 A 22) HD2 ASP( 13 A 23) HD2 ASP( 13 A 31) HD2 ASP( 13 A 42) HD2 ASP( 13 A 43) HD2 GLU( 13 A 49) HE2 ASP( 14 A 1) HD2 ASP( 14 A 8) HD2 ASP( 14 A 15) HD2 GLU( 14 A 19) HE2 ASP( 14 A 21) HD2 ASP( 14 A 22) HD2 ASP( 14 A 23) HD2 ASP( 14 A 31) HD2 ASP( 14 A 42) HD2 ASP( 14 A 43) HD2 GLU( 14 A 49) HE2 ASP( 15 A 1) HD2 ASP( 15 A 8) HD2 ASP( 15 A 15) HD2 GLU( 15 A 19) HE2 ASP( 15 A 21) HD2 ASP( 15 A 22) HD2 ASP( 15 A 23) HD2 ASP( 15 A 31) HD2 ASP( 15 A 42) HD2 ASP( 15 A 43) HD2 GLU( 15 A 49) HE2 ASP( 16 A 1) HD2 ASP( 16 A 8) HD2 ASP( 16 A 15) HD2 GLU( 16 A 19) HE2 ASP( 16 A 21) HD2 ASP( 16 A 22) HD2 ASP( 16 A 23) HD2 ASP( 16 A 31) HD2 ASP( 16 A 42) HD2 ASP( 16 A 43) HD2 GLU( 16 A 49) HE2 ASP( 17 A 1) HD2 ASP( 17 A 8) HD2 ASP( 17 A 15) HD2 GLU( 17 A 19) HE2 ASP( 17 A 21) HD2 ASP( 17 A 22) HD2 ASP( 17 A 23) HD2 ASP( 17 A 31) HD2 ASP( 17 A 42) HD2 ASP( 17 A 43) HD2 GLU( 17 A 49) HE2 ASP( 18 A 1) HD2 ASP( 18 A 8) HD2 ASP( 18 A 15) HD2 GLU( 18 A 19) HE2 ASP( 18 A 21) HD2 ASP( 18 A 22) HD2 ASP( 18 A 23) HD2 ASP( 18 A 31) HD2 ASP( 18 A 42) HD2 ASP( 18 A 43) HD2 GLU( 18 A 49) HE2 ASP( 19 A 1) HD2 ASP( 19 A 8) HD2 ASP( 19 A 15) HD2 GLU( 19 A 19) HE2 ASP( 19 A 21) HD2 ASP( 19 A 22) HD2 ASP( 19 A 23) HD2 ASP( 19 A 31) HD2 ASP( 19 A 42) HD2 ASP( 19 A 43) HD2 GLU( 19 A 49) HE2 ASP( 20 A 1) HD2 ASP( 20 A 8) HD2 ASP( 20 A 15) HD2 GLU( 20 A 19) HE2 ASP( 20 A 21) HD2 ASP( 20 A 22) HD2 ASP( 20 A 23) HD2 ASP( 20 A 31) HD2 ASP( 20 A 42) HD2 ASP( 20 A 43) HD2 GLU( 20 A 49) HE2 ER382A_NMR_em_bcr3.pdb: Error: Record (RES: MET CHNID: A SSEQ: 14) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (RES: LEU CHNID: A SSEQ: 16) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (RES: VAL CHNID: A SSEQ: 6) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (RES: THR CHNID: A SSEQ: 9) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: MET CHNID: A SSEQ: 7) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: ILE CHNID: A SSEQ: 15) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (RES: VAL CHNID: A SSEQ: 47) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (RES: GLN CHNID: A SSEQ: 49) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: GLN CHNID: A SSEQ: 49) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: ALA CHNID: A SSEQ: 8) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (RES: GLU CHNID: A SSEQ: 22) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (RES: ILE CHNID: A SSEQ: 23) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (RES: LEU CHNID: A SSEQ: 29) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (RES: HIS CHNID: A SSEQ: 33) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: SER CHNID: A SSEQ: 31) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: GLU CHNID: A SSEQ: 22) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (RES: ALA CHNID: A SSEQ: 39) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (RES: ASN CHNID: A SSEQ: 43) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (ATOM: O RES: MET CHNID: A SSEQ: 40) in Token 'SHEET' can not be found in coordinates ER382A_NMR_em_bcr3.pdb: Error: Record (ATOM: N RES: TYR CHNID: A SSEQ: 32) in Token 'SHEET' can not be found in coordinates