May. 10, 06:32:22 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 ASP 84 - A H PHE 88 17 Dist = 1.54 A O ASP 84 - A H PHE 88 13 Dist = 1.54 A O ASP 84 - A H PHE 88 16 Dist = 1.54 A O ASP 84 - A H PHE 88 4 Dist = 1.55 A O ASP 84 - A H PHE 88 18 Dist = 1.55 A O ASP 84 - A H PHE 88 10 Dist = 1.56 A O LYS 93 - A H LEU 97 15 Dist = 1.58 A O HIS 35 - A H PHE 39 10 Dist = 1.59 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 0.008 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 ------------------------------------------------------------------------ 0.050 PRO A 116 3 CD - N 1.523 1.473 0.047 PRO A 116 4 CD - N 1.520 1.473 0.054 PRO A 15 11 CD - N 1.527 1.473 0.048 PRO A 17 15 CD - N 1.521 1.473 *** Covalent Angle Values: The RMS deviation for covalent angles relative to the standard dictionary is 0.6 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 13 1HE2 1 A GLN 13 2HE2 1 A GLN 37 1HE2 1 A GLN 37 2HE2 1 A GLN 38 1HE2 1 A GLN 38 2HE2 1 A GLN 53 1HE2 1 A GLN 53 2HE2 1 A ASN 56 1HD2 1 A ASN 56 2HD2 1 A GLN 60 1HE2 1 A GLN 60 2HE2 1 A GLN 65 1HE2 1 A GLN 65 2HE2 1 A GLN 70 1HE2 1 A GLN 70 2HE2 1 A ASN 78 1HD2 1 A ASN 78 2HD2 1 A ASN 79 1HD2 1 A ASN 79 2HD2 1 A GLN 85 1HE2 1 A GLN 85 2HE2 1 A GLN 100 1HE2 1 A GLN 100 2HE2 1 A GLN 103 1HE2 1 A GLN 103 2HE2 1 A GLN 114 1HE2 1 A GLN 114 2HE2 1 A GLN 115 1HE2 1 A GLN 115 2HE2 2 A GLN 13 1HE2 2 A GLN 13 2HE2 2 A GLN 37 1HE2 2 A GLN 37 2HE2 2 A GLN 38 1HE2 2 A GLN 38 2HE2 2 A GLN 53 1HE2 2 A GLN 53 2HE2 2 A ASN 56 1HD2 2 A ASN 56 2HD2 2 A GLN 60 1HE2 2 A GLN 60 2HE2 2 A GLN 65 1HE2 2 A GLN 65 2HE2 2 A GLN 70 1HE2 2 A GLN 70 2HE2 2 A ASN 78 1HD2 2 A ASN 78 2HD2 2 A ASN 79 1HD2 2 A ASN 79 2HD2 2 A GLN 85 1HE2 2 A GLN 85 2HE2 2 A GLN 100 1HE2 2 A GLN 100 2HE2 2 A GLN 103 1HE2 2 A GLN 103 2HE2 2 A GLN 114 1HE2 2 A GLN 114 2HE2 2 A GLN 115 1HE2 2 A GLN 115 2HE2 3 A GLN 13 1HE2 3 A GLN 13 2HE2 3 A GLN 37 1HE2 3 A GLN 37 2HE2 3 A GLN 38 1HE2 3 A GLN 38 2HE2 3 A GLN 53 1HE2 3 A GLN 53 2HE2 3 A ASN 56 1HD2 3 A ASN 56 2HD2 3 A GLN 60 1HE2 3 A GLN 60 2HE2 3 A GLN 65 1HE2 3 A GLN 65 2HE2 3 A GLN 70 1HE2 3 A GLN 70 2HE2 3 A ASN 78 1HD2 3 A ASN 78 2HD2 3 A ASN 79 1HD2 3 A ASN 79 2HD2 3 A GLN 85 1HE2 3 A GLN 85 2HE2 3 A GLN 100 1HE2 3 A GLN 100 2HE2 3 A GLN 103 1HE2 3 A GLN 103 2HE2 3 A GLN 114 1HE2 3 A GLN 114 2HE2 3 A GLN 115 1HE2 3 A GLN 115 2HE2 4 A GLN 13 1HE2 4 A GLN 13 2HE2 4 A GLN 37 1HE2 4 A GLN 37 2HE2 4 A GLN 38 1HE2 4 A GLN 38 2HE2 4 A GLN 53 1HE2 4 A GLN 53 2HE2 4 A ASN 56 1HD2 4 A ASN 56 2HD2 4 A GLN 60 1HE2 4 A GLN 60 2HE2 4 A GLN 65 1HE2 4 A GLN 65 2HE2 4 A GLN 70 1HE2 4 A GLN 70 2HE2 4 A ASN 78 1HD2 4 A ASN 78 2HD2 4 A ASN 79 1HD2 4 A ASN 79 2HD2 4 A GLN 85 1HE2 4 A GLN 85 2HE2 4 A GLN 100 1HE2 4 A GLN 100 2HE2 4 A GLN 103 1HE2 4 A GLN 103 2HE2 4 A GLN 114 1HE2 4 A GLN 114 2HE2 4 A GLN 115 1HE2 4 A GLN 115 2HE2 5 A GLN 13 1HE2 5 A GLN 13 2HE2 5 A GLN 37 1HE2 5 A GLN 37 2HE2 5 A GLN 38 1HE2 5 A GLN 38 2HE2 5 A GLN 53 1HE2 5 A GLN 53 2HE2 5 A ASN 56 1HD2 5 A ASN 56 2HD2 5 A GLN 60 1HE2 5 A GLN 60 2HE2 5 A GLN 65 1HE2 5 A GLN 65 2HE2 5 A GLN 70 1HE2 5 A GLN 70 2HE2 5 A ASN 78 1HD2 5 A ASN 78 2HD2 5 A ASN 79 1HD2 5 A ASN 79 2HD2 5 A GLN 85 1HE2 5 A GLN 85 2HE2 5 A GLN 100 1HE2 5 A GLN 100 2HE2 5 A GLN 103 1HE2 5 A GLN 103 2HE2 5 A GLN 114 1HE2 5 A GLN 114 2HE2 5 A GLN 115 1HE2 5 A GLN 115 2HE2 6 A GLN 13 1HE2 6 A GLN 13 2HE2 6 A GLN 37 1HE2 6 A GLN 37 2HE2 6 A GLN 38 1HE2 6 A GLN 38 2HE2 6 A GLN 53 1HE2 6 A GLN 53 2HE2 6 A ASN 56 1HD2 6 A ASN 56 2HD2 6 A GLN 60 1HE2 6 A GLN 60 2HE2 6 A GLN 65 1HE2 6 A GLN 65 2HE2 6 A GLN 70 1HE2 6 A GLN 70 2HE2 6 A ASN 78 1HD2 6 A ASN 78 2HD2 6 A ASN 79 1HD2 6 A ASN 79 2HD2 6 A GLN 85 1HE2 6 A GLN 85 2HE2 6 A GLN 100 1HE2 6 A GLN 100 2HE2 6 A GLN 103 1HE2 6 A GLN 103 2HE2 6 A GLN 114 1HE2 6 A GLN 114 2HE2 6 A GLN 115 1HE2 6 A GLN 115 2HE2 7 A GLN 13 1HE2 7 A GLN 13 2HE2 7 A GLN 37 1HE2 7 A GLN 37 2HE2 7 A GLN 38 1HE2 7 A GLN 38 2HE2 7 A GLN 53 1HE2 7 A GLN 53 2HE2 7 A ASN 56 1HD2 7 A ASN 56 2HD2 7 A GLN 60 1HE2 7 A GLN 60 2HE2 7 A GLN 65 1HE2 7 A GLN 65 2HE2 7 A GLN 70 1HE2 7 A GLN 70 2HE2 7 A ASN 78 1HD2 7 A ASN 78 2HD2 7 A ASN 79 1HD2 7 A ASN 79 2HD2 7 A GLN 85 1HE2 7 A GLN 85 2HE2 7 A GLN 100 1HE2 7 A GLN 100 2HE2 7 A GLN 103 1HE2 7 A GLN 103 2HE2 7 A GLN 114 1HE2 7 A GLN 114 2HE2 7 A GLN 115 1HE2 7 A GLN 115 2HE2 8 A GLN 13 1HE2 8 A GLN 13 2HE2 8 A GLN 37 1HE2 8 A GLN 37 2HE2 8 A GLN 38 1HE2 8 A GLN 38 2HE2 8 A GLN 53 1HE2 8 A GLN 53 2HE2 8 A ASN 56 1HD2 8 A ASN 56 2HD2 8 A GLN 60 1HE2 8 A GLN 60 2HE2 8 A GLN 65 1HE2 8 A GLN 65 2HE2 8 A GLN 70 1HE2 8 A GLN 70 2HE2 8 A ASN 78 1HD2 8 A ASN 78 2HD2 8 A ASN 79 1HD2 8 A ASN 79 2HD2 8 A GLN 85 1HE2 8 A GLN 85 2HE2 8 A GLN 100 1HE2 8 A GLN 100 2HE2 8 A GLN 103 1HE2 8 A GLN 103 2HE2 8 A GLN 114 1HE2 8 A GLN 114 2HE2 8 A GLN 115 1HE2 8 A GLN 115 2HE2 9 A GLN 13 1HE2 9 A GLN 13 2HE2 9 A GLN 37 1HE2 9 A GLN 37 2HE2 9 A GLN 38 1HE2 9 A GLN 38 2HE2 9 A GLN 53 1HE2 9 A GLN 53 2HE2 9 A ASN 56 1HD2 9 A ASN 56 2HD2 9 A GLN 60 1HE2 9 A GLN 60 2HE2 9 A GLN 65 1HE2 9 A GLN 65 2HE2 9 A GLN 70 1HE2 9 A GLN 70 2HE2 9 A ASN 78 1HD2 9 A ASN 78 2HD2 9 A ASN 79 1HD2 9 A ASN 79 2HD2 9 A GLN 85 1HE2 9 A GLN 85 2HE2 9 A GLN 100 1HE2 9 A GLN 100 2HE2 9 A GLN 103 1HE2 9 A GLN 103 2HE2 9 A GLN 114 1HE2 9 A GLN 114 2HE2 9 A GLN 115 1HE2 9 A GLN 115 2HE2 10 A GLN 13 1HE2 10 A GLN 13 2HE2 10 A GLN 37 1HE2 10 A GLN 37 2HE2 10 A GLN 38 1HE2 10 A GLN 38 2HE2 10 A GLN 53 1HE2 10 A GLN 53 2HE2 10 A ASN 56 1HD2 10 A ASN 56 2HD2 10 A GLN 60 1HE2 10 A GLN 60 2HE2 10 A GLN 65 1HE2 10 A GLN 65 2HE2 10 A GLN 70 1HE2 10 A GLN 70 2HE2 10 A ASN 78 1HD2 10 A ASN 78 2HD2 10 A ASN 79 1HD2 10 A ASN 79 2HD2 10 A GLN 85 1HE2 10 A GLN 85 2HE2 10 A GLN 100 1HE2 10 A GLN 100 2HE2 10 A GLN 103 1HE2 10 A GLN 103 2HE2 10 A GLN 114 1HE2 10 A GLN 114 2HE2 10 A GLN 115 1HE2 10 A GLN 115 2HE2 11 A GLN 13 1HE2 11 A GLN 13 2HE2 11 A GLN 37 1HE2 11 A GLN 37 2HE2 11 A GLN 38 1HE2 11 A GLN 38 2HE2 11 A GLN 53 1HE2 11 A GLN 53 2HE2 11 A ASN 56 1HD2 11 A ASN 56 2HD2 11 A GLN 60 1HE2 11 A GLN 60 2HE2 11 A GLN 65 1HE2 11 A GLN 65 2HE2 11 A GLN 70 1HE2 11 A GLN 70 2HE2 11 A ASN 78 1HD2 11 A ASN 78 2HD2 11 A ASN 79 1HD2 11 A ASN 79 2HD2 11 A GLN 85 1HE2 11 A GLN 85 2HE2 11 A GLN 100 1HE2 11 A GLN 100 2HE2 11 A GLN 103 1HE2 11 A GLN 103 2HE2 11 A GLN 114 1HE2 11 A GLN 114 2HE2 11 A GLN 115 1HE2 11 A GLN 115 2HE2 12 A GLN 13 1HE2 12 A GLN 13 2HE2 12 A GLN 37 1HE2 12 A GLN 37 2HE2 12 A GLN 38 1HE2 12 A GLN 38 2HE2 12 A GLN 53 1HE2 12 A GLN 53 2HE2 12 A ASN 56 1HD2 12 A ASN 56 2HD2 12 A GLN 60 1HE2 12 A GLN 60 2HE2 12 A GLN 65 1HE2 12 A GLN 65 2HE2 12 A GLN 70 1HE2 12 A GLN 70 2HE2 12 A ASN 78 1HD2 12 A ASN 78 2HD2 12 A ASN 79 1HD2 12 A ASN 79 2HD2 12 A GLN 85 1HE2 12 A GLN 85 2HE2 12 A GLN 100 1HE2 12 A GLN 100 2HE2 12 A GLN 103 1HE2 12 A GLN 103 2HE2 12 A GLN 114 1HE2 12 A GLN 114 2HE2 12 A GLN 115 1HE2 12 A GLN 115 2HE2 13 A GLN 13 1HE2 13 A GLN 13 2HE2 13 A GLN 37 1HE2 13 A GLN 37 2HE2 13 A GLN 38 1HE2 13 A GLN 38 2HE2 13 A GLN 53 1HE2 13 A GLN 53 2HE2 13 A ASN 56 1HD2 13 A ASN 56 2HD2 13 A GLN 60 1HE2 13 A GLN 60 2HE2 13 A GLN 65 1HE2 13 A GLN 65 2HE2 13 A GLN 70 1HE2 13 A GLN 70 2HE2 13 A ASN 78 1HD2 13 A ASN 78 2HD2 13 A ASN 79 1HD2 13 A ASN 79 2HD2 13 A GLN 85 1HE2 13 A GLN 85 2HE2 13 A GLN 100 1HE2 13 A GLN 100 2HE2 13 A GLN 103 1HE2 13 A GLN 103 2HE2 13 A GLN 114 1HE2 13 A GLN 114 2HE2 13 A GLN 115 1HE2 13 A GLN 115 2HE2 14 A GLN 13 1HE2 14 A GLN 13 2HE2 14 A GLN 37 1HE2 14 A GLN 37 2HE2 14 A GLN 38 1HE2 14 A GLN 38 2HE2 14 A GLN 53 1HE2 14 A GLN 53 2HE2 14 A ASN 56 1HD2 14 A ASN 56 2HD2 14 A GLN 60 1HE2 14 A GLN 60 2HE2 14 A GLN 65 1HE2 14 A GLN 65 2HE2 14 A GLN 70 1HE2 14 A GLN 70 2HE2 14 A ASN 78 1HD2 14 A ASN 78 2HD2 14 A ASN 79 1HD2 14 A ASN 79 2HD2 14 A GLN 85 1HE2 14 A GLN 85 2HE2 14 A GLN 100 1HE2 14 A GLN 100 2HE2 14 A GLN 103 1HE2 14 A GLN 103 2HE2 14 A GLN 114 1HE2 14 A GLN 114 2HE2 14 A GLN 115 1HE2 14 A GLN 115 2HE2 15 A GLN 13 1HE2 15 A GLN 13 2HE2 15 A GLN 37 1HE2 15 A GLN 37 2HE2 15 A GLN 38 1HE2 15 A GLN 38 2HE2 15 A GLN 53 1HE2 15 A GLN 53 2HE2 15 A ASN 56 1HD2 15 A ASN 56 2HD2 15 A GLN 60 1HE2 15 A GLN 60 2HE2 15 A GLN 65 1HE2 15 A GLN 65 2HE2 15 A GLN 70 1HE2 15 A GLN 70 2HE2 15 A ASN 78 1HD2 15 A ASN 78 2HD2 15 A ASN 79 1HD2 15 A ASN 79 2HD2 15 A GLN 85 1HE2 15 A GLN 85 2HE2 15 A GLN 100 1HE2 15 A GLN 100 2HE2 15 A GLN 103 1HE2 15 A GLN 103 2HE2 15 A GLN 114 1HE2 15 A GLN 114 2HE2 15 A GLN 115 1HE2 15 A GLN 115 2HE2 16 A GLN 13 1HE2 16 A GLN 13 2HE2 16 A GLN 37 1HE2 16 A GLN 37 2HE2 16 A GLN 38 1HE2 16 A GLN 38 2HE2 16 A GLN 53 1HE2 16 A GLN 53 2HE2 16 A ASN 56 1HD2 16 A ASN 56 2HD2 16 A GLN 60 1HE2 16 A GLN 60 2HE2 16 A GLN 65 1HE2 16 A GLN 65 2HE2 16 A GLN 70 1HE2 16 A GLN 70 2HE2 16 A ASN 78 1HD2 16 A ASN 78 2HD2 16 A ASN 79 1HD2 16 A ASN 79 2HD2 16 A GLN 85 1HE2 16 A GLN 85 2HE2 16 A GLN 100 1HE2 16 A GLN 100 2HE2 16 A GLN 103 1HE2 16 A GLN 103 2HE2 16 A GLN 114 1HE2 16 A GLN 114 2HE2 16 A GLN 115 1HE2 16 A GLN 115 2HE2 17 A GLN 13 1HE2 17 A GLN 13 2HE2 17 A GLN 37 1HE2 17 A GLN 37 2HE2 17 A GLN 38 1HE2 17 A GLN 38 2HE2 17 A GLN 53 1HE2 17 A GLN 53 2HE2 17 A ASN 56 1HD2 17 A ASN 56 2HD2 17 A GLN 60 1HE2 17 A GLN 60 2HE2 17 A GLN 65 1HE2 17 A GLN 65 2HE2 17 A GLN 70 1HE2 17 A GLN 70 2HE2 17 A ASN 78 1HD2 17 A ASN 78 2HD2 17 A ASN 79 1HD2 17 A ASN 79 2HD2 17 A GLN 85 1HE2 17 A GLN 85 2HE2 17 A GLN 100 1HE2 17 A GLN 100 2HE2 17 A GLN 103 1HE2 17 A GLN 103 2HE2 17 A GLN 114 1HE2 17 A GLN 114 2HE2 17 A GLN 115 1HE2 17 A GLN 115 2HE2 18 A GLN 13 1HE2 18 A GLN 13 2HE2 18 A GLN 37 1HE2 18 A GLN 37 2HE2 18 A GLN 38 1HE2 18 A GLN 38 2HE2 18 A GLN 53 1HE2 18 A GLN 53 2HE2 18 A ASN 56 1HD2 18 A ASN 56 2HD2 18 A GLN 60 1HE2 18 A GLN 60 2HE2 18 A GLN 65 1HE2 18 A GLN 65 2HE2 18 A GLN 70 1HE2 18 A GLN 70 2HE2 18 A ASN 78 1HD2 18 A ASN 78 2HD2 18 A ASN 79 1HD2 18 A ASN 79 2HD2 18 A GLN 85 1HE2 18 A GLN 85 2HE2 18 A GLN 100 1HE2 18 A GLN 100 2HE2 18 A GLN 103 1HE2 18 A GLN 103 2HE2 18 A GLN 114 1HE2 18 A GLN 114 2HE2 18 A GLN 115 1HE2 18 A GLN 115 2HE2 OTHER IMPORTANT ISSUES ==> The following residues have missing atoms: RES MOD#C SEQ ATOMS HIS( 1 A 3) HE2 HIS( 1 A 4) HD1 HIS( 1 A 5) HE2 HIS( 1 A 6) HD1 HIS( 1 A 7) HE2 HIS( 1 A 8) HE2 HIS( 1 A 10) HD1 ASP( 1 A 23) HD2 GLU( 1 A 30) HE2 GLU( 1 A 31) HE2 HIS( 1 A 35) HD1 ASP( 1 A 36) HD2 HIS( 1 A 40) HD1 ASP( 1 A 52) HD2 ASP( 1 A 76) HD2 ASP( 1 A 80) HD2 ASP( 1 A 84) HD2 GLU( 1 A 87) HE2 HIS( 2 A 3) HD1 HIS( 2 A 4) HE2 HIS( 2 A 5) HD1 HIS( 2 A 6) HD1 HIS( 2 A 7) HD1 HIS( 2 A 8) HD1 HIS( 2 A 10) HD1 ASP( 2 A 23) HD2 GLU( 2 A 30) HE2 GLU( 2 A 31) HE2 HIS( 2 A 35) HD1 ASP( 2 A 36) HD2 HIS( 2 A 40) HD1 ASP( 2 A 52) HD2 ASP( 2 A 76) HD2 ASP( 2 A 80) HD2 ASP( 2 A 84) HD2 GLU( 2 A 87) HE2 HIS( 3 A 3) HD1 HIS( 3 A 4) HE2 HIS( 3 A 5) HE2 HIS( 3 A 6) HD1 HIS( 3 A 7) HD1 HIS( 3 A 8) HE2 HIS( 3 A 10) HD1 ASP( 3 A 23) HD2 GLU( 3 A 30) HE2 GLU( 3 A 31) HE2 HIS( 3 A 35) HD1 ASP( 3 A 36) HD2 HIS( 3 A 40) HD1 ASP( 3 A 52) HD2 ASP( 3 A 76) HD2 ASP( 3 A 80) HD2 ASP( 3 A 84) HD2 GLU( 3 A 87) HE2 HIS( 4 A 3) HD1 HIS( 4 A 4) HE2 HIS( 4 A 5) HE2 HIS( 4 A 6) HD1 HIS( 4 A 7) HD1 HIS( 4 A 8) HE2 HIS( 4 A 10) HD1 ASP( 4 A 23) HD2 GLU( 4 A 30) HE2 GLU( 4 A 31) HE2 HIS( 4 A 35) HD1 ASP( 4 A 36) HD2 HIS( 4 A 40) HD1 ASP( 4 A 52) HD2 ASP( 4 A 76) HD2 ASP( 4 A 80) HD2 ASP( 4 A 84) HD2 GLU( 4 A 87) HE2 HIS( 5 A 3) HD1 HIS( 5 A 4) HE2 HIS( 5 A 5) HD1 HIS( 5 A 6) HD1 HIS( 5 A 7) HD1 HIS( 5 A 8) HE2 HIS( 5 A 10) HD1 ASP( 5 A 23) HD2 GLU( 5 A 30) HE2 GLU( 5 A 31) HE2 HIS( 5 A 35) HD1 ASP( 5 A 36) HD2 HIS( 5 A 40) HD1 ASP( 5 A 52) HD2 ASP( 5 A 76) HD2 ASP( 5 A 80) HD2 ASP( 5 A 84) HD2 GLU( 5 A 87) HE2 HIS( 6 A 3) HD1 HIS( 6 A 4) HD1 HIS( 6 A 5) HE2 HIS( 6 A 6) HD1 HIS( 6 A 7) HE2 HIS( 6 A 8) HE2 HIS( 6 A 10) HD1 ASP( 6 A 23) HD2 GLU( 6 A 30) HE2 GLU( 6 A 31) HE2 HIS( 6 A 35) HD1 ASP( 6 A 36) HD2 HIS( 6 A 40) HD1 ASP( 6 A 52) HD2 ASP( 6 A 76) HD2 ASP( 6 A 80) HD2 ASP( 6 A 84) HD2 GLU( 6 A 87) HE2 HIS( 7 A 3) HD1 HIS( 7 A 4) HE2 HIS( 7 A 5) HE2 HIS( 7 A 6) HD1 HIS( 7 A 7) HE2 HIS( 7 A 8) HE2 HIS( 7 A 10) HD1 ASP( 7 A 23) HD2 GLU( 7 A 30) HE2 GLU( 7 A 31) HE2 HIS( 7 A 35) HD1 ASP( 7 A 36) HD2 HIS( 7 A 40) HD1 ASP( 7 A 52) HD2 ASP( 7 A 76) HD2 ASP( 7 A 80) HD2 ASP( 7 A 84) HD2 GLU( 7 A 87) HE2 HIS( 8 A 3) HE2 HIS( 8 A 4) HE2 HIS( 8 A 5) HD1 HIS( 8 A 6) HE2 HIS( 8 A 7) HD1 HIS( 8 A 8) HD1 HIS( 8 A 10) HD1 ASP( 8 A 23) HD2 GLU( 8 A 30) HE2 GLU( 8 A 31) HE2 HIS( 8 A 35) HD1 ASP( 8 A 36) HD2 HIS( 8 A 40) HD1 ASP( 8 A 52) HD2 ASP( 8 A 76) HD2 ASP( 8 A 80) HD2 ASP( 8 A 84) HD2 GLU( 8 A 87) HE2 HIS( 9 A 3) HD1 HIS( 9 A 4) HD1 HIS( 9 A 5) HE2 HIS( 9 A 6) HD1 HIS( 9 A 7) HD1 HIS( 9 A 8) HE2 HIS( 9 A 10) HD1 ASP( 9 A 23) HD2 GLU( 9 A 30) HE2 GLU( 9 A 31) HE2 HIS( 9 A 35) HD1 ASP( 9 A 36) HD2 HIS( 9 A 40) HD1 ASP( 9 A 52) HD2 ASP( 9 A 76) HD2 ASP( 9 A 80) HD2 ASP( 9 A 84) HD2 GLU( 9 A 87) HE2 HIS( 10 A 3) HE2 HIS( 10 A 4) HE2 HIS( 10 A 5) HD1 HIS( 10 A 6) HD1 HIS( 10 A 7) HE2 HIS( 10 A 8) HD1 HIS( 10 A 10) HD1 ASP( 10 A 23) HD2 GLU( 10 A 30) HE2 GLU( 10 A 31) HE2 HIS( 10 A 35) HD1 ASP( 10 A 36) HD2 HIS( 10 A 40) HD1 ASP( 10 A 52) HD2 ASP( 10 A 76) HD2 ASP( 10 A 80) HD2 ASP( 10 A 84) HD2 GLU( 10 A 87) HE2 HIS( 11 A 3) HE2 HIS( 11 A 4) HE2 HIS( 11 A 5) HD1 HIS( 11 A 6) HD1 HIS( 11 A 7) HD1 HIS( 11 A 8) HE2 HIS( 11 A 10) HD1 ASP( 11 A 23) HD2 GLU( 11 A 30) HE2 GLU( 11 A 31) HE2 HIS( 11 A 35) HD1 ASP( 11 A 36) HD2 HIS( 11 A 40) HD1 ASP( 11 A 52) HD2 ASP( 11 A 76) HD2 ASP( 11 A 80) HD2 ASP( 11 A 84) HD2 GLU( 11 A 87) HE2 HIS( 12 A 3) HE2 HIS( 12 A 4) HE2 HIS( 12 A 5) HD1 HIS( 12 A 6) HE2 HIS( 12 A 7) HE2 HIS( 12 A 8) HD1 HIS( 12 A 10) HD1 ASP( 12 A 23) HD2 GLU( 12 A 30) HE2 GLU( 12 A 31) HE2 HIS( 12 A 35) HD1 ASP( 12 A 36) HD2 HIS( 12 A 40) HD1 ASP( 12 A 52) HD2 ASP( 12 A 76) HD2 ASP( 12 A 80) HD2 ASP( 12 A 84) HD2 GLU( 12 A 87) HE2 HIS( 13 A 3) HD1 HIS( 13 A 4) HD1 HIS( 13 A 5) HE2 HIS( 13 A 6) HD1 HIS( 13 A 7) HD1 HIS( 13 A 8) HE2 HIS( 13 A 10) HD1 ASP( 13 A 23) HD2 GLU( 13 A 30) HE2 GLU( 13 A 31) HE2 HIS( 13 A 35) HD1 ASP( 13 A 36) HD2 HIS( 13 A 40) HD1 ASP( 13 A 52) HD2 ASP( 13 A 76) HD2 ASP( 13 A 80) HD2 ASP( 13 A 84) HD2 GLU( 13 A 87) HE2 HIS( 14 A 3) HE2 HIS( 14 A 4) HD1 HIS( 14 A 5) HE2 HIS( 14 A 6) HE2 HIS( 14 A 7) HE2 HIS( 14 A 8) HD1 HIS( 14 A 10) HD1 ASP( 14 A 23) HD2 GLU( 14 A 30) HE2 GLU( 14 A 31) HE2 HIS( 14 A 35) HD1 ASP( 14 A 36) HD2 HIS( 14 A 40) HD1 ASP( 14 A 52) HD2 ASP( 14 A 76) HD2 ASP( 14 A 80) HD2 ASP( 14 A 84) HD2 GLU( 14 A 87) HE2 HIS( 15 A 3) HE2 HIS( 15 A 4) HD1 HIS( 15 A 5) HE2 HIS( 15 A 6) HE2 HIS( 15 A 7) HE2 HIS( 15 A 8) HD1 HIS( 15 A 10) HD1 ASP( 15 A 23) HD2 GLU( 15 A 30) HE2 GLU( 15 A 31) HE2 HIS( 15 A 35) HD1 ASP( 15 A 36) HD2 HIS( 15 A 40) HD1 ASP( 15 A 52) HD2 ASP( 15 A 76) HD2 ASP( 15 A 80) HD2 ASP( 15 A 84) HD2 GLU( 15 A 87) HE2 HIS( 16 A 3) HD1 HIS( 16 A 4) HE2 HIS( 16 A 5) HE2 HIS( 16 A 6) HD1 HIS( 16 A 7) HD1 HIS( 16 A 8) HE2 HIS( 16 A 10) HD1 ASP( 16 A 23) HD2 GLU( 16 A 30) HE2 GLU( 16 A 31) HE2 HIS( 16 A 35) HD1 ASP( 16 A 36) HD2 HIS( 16 A 40) HD1 ASP( 16 A 52) HD2 ASP( 16 A 76) HD2 ASP( 16 A 80) HD2 ASP( 16 A 84) HD2 GLU( 16 A 87) HE2 HIS( 17 A 3) HD1 HIS( 17 A 4) HD1 HIS( 17 A 5) HE2 HIS( 17 A 6) HE2 HIS( 17 A 7) HD1 HIS( 17 A 8) HE2 HIS( 17 A 10) HD1 ASP( 17 A 23) HD2 GLU( 17 A 30) HE2 GLU( 17 A 31) HE2 HIS( 17 A 35) HD1 ASP( 17 A 36) HD2 HIS( 17 A 40) HD1 ASP( 17 A 52) HD2 ASP( 17 A 76) HD2 ASP( 17 A 80) HD2 ASP( 17 A 84) HD2 GLU( 17 A 87) HE2 HIS( 18 A 3) HD1 HIS( 18 A 4) HD1 HIS( 18 A 5) HE2 HIS( 18 A 6) HD1 HIS( 18 A 7) HD1 HIS( 18 A 8) HE2 HIS( 18 A 10) HD1 ASP( 18 A 23) HD2 GLU( 18 A 30) HE2 GLU( 18 A 31) HE2 HIS( 18 A 35) HD1 ASP( 18 A 36) HD2 HIS( 18 A 40) HD1 ASP( 18 A 52) HD2 ASP( 18 A 76) HD2 ASP( 18 A 80) HD2 ASP( 18 A 84) HD2 GLU( 18 A 87) HE2 ==> The following residues have extra atoms: RES MOD#C SEQ ATOMS SER( 1 A 121) O2 SER( 2 A 121) O2 SER( 3 A 121) O2 SER( 4 A 121) O2 SER( 5 A 121) O2 SER( 6 A 121) O2 SER( 7 A 121) O2 SER( 8 A 121) O2 SER( 9 A 121) O2 SER( 10 A 121) O2 SER( 11 A 121) O2 SER( 12 A 121) O2 SER( 13 A 121) O2 SER( 14 A 121) O2 SER( 15 A 121) O2 SER( 16 A 121) O2 SER( 17 A 121) O2 SER( 18 A 121) O2 HR3646E_R3Cons_em_bcr3.pdb: Missing KEYWDS records HR3646E_R3Cons_em_bcr3.pdb: Missing TITLE record