May. 10, 10:32:56 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. none 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 0.011 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 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 -------------------------------------------------------------------------------- -7.8 CYS A 16 1 N - CA - CB 102.7 110.5 4.4 PRO A 82 1 CA - C - N 121.3 116.9 -7.9 CYS A 16 2 N - CA - CB 102.6 110.5 4.3 PRO A 82 2 CA - C - N 121.2 116.9 -7.5 CYS A 16 3 N - CA - CB 103.0 110.5 9.5 PRO A 83 3 N - CA - C 121.3 111.8 6.5 PRO A 82 3 CA - C - N 123.4 116.9 8.6 PRO A 83 3 C - N - CA 131.2 122.6 -7.9 CYS A 16 4 N - CA - CB 102.6 110.5 4.6 PRO A 82 4 CA - C - N 121.5 116.9 -7.6 CYS A 16 5 N - CA - CB 102.9 110.5 -7.7 CYS A 16 6 N - CA - CB 102.8 110.5 -4.4 PRO A 83 6 CA - N - CD 107.6 112.0 5.0 PRO A 83 6 CB - CA - C 115.1 110.1 -4.4 PRO A 83 6 N - CA - CB 98.6 103.0 9.9 PRO A 83 6 N - CA - C 121.7 111.8 6.4 PRO A 82 6 CA - C - N 123.3 116.9 10.0 PRO A 83 6 C - N - CA 132.6 122.6 4.6 THR A 84 6 C - N - CA 126.3 121.7 -7.8 CYS A 16 7 N - CA - CB 102.7 110.5 -7.8 CYS A 16 8 N - CA - CB 102.7 110.5 -7.8 CYS A 16 9 N - CA - CB 102.7 110.5 6.3 PRO A 82 9 N - CA - C 118.1 111.8 5.3 PRO A 82 9 CA - C - N 122.2 116.9 -8.1 CYS A 16 10 N - CA - CB 102.4 110.5 -4.4 PRO A 83 10 CA - N - CD 107.6 112.0 9.7 PRO A 83 10 N - CA - C 121.5 111.8 4.8 PRO A 82 10 CA - C - N 121.7 116.9 8.0 PRO A 83 10 C - N - CA 130.6 122.6 5.9 THR A 84 10 N - CA - C 117.1 111.2 4.9 THR A 84 10 C - N - CA 126.6 121.7 -7.6 CYS A 16 11 N - CA - CB 102.9 110.5 4.4 PRO A 82 11 CA - C - N 121.3 116.9 -7.7 CYS A 16 12 N - CA - CB 102.8 110.5 5.6 PRO A 83 12 CB - CA - C 115.7 110.1 -4.6 PRO A 83 12 N - CA - CB 98.4 103.0 10.2 PRO A 83 12 N - CA - C 122.0 111.8 6.0 PRO A 82 12 CA - C - N 122.9 116.9 10.0 PRO A 83 12 C - N - CA 132.6 122.6 -7.9 CYS A 16 13 N - CA - CB 102.6 110.5 5.4 PRO A 82 13 N - CA - C 117.2 111.8 5.5 PRO A 82 13 CA - C - N 122.4 116.9 4.4 PRO A 83 13 C - N - CA 127.0 122.6 -7.9 CYS A 16 14 N - CA - CB 102.6 110.5 10.4 PRO A 83 14 N - CA - C 122.2 111.8 6.9 PRO A 82 14 CA - C - N 123.8 116.9 -4.5 PRO A 82 14 O - C - N 117.5 122.0 10.8 PRO A 83 14 C - N - CA 133.4 122.6 -7.5 CYS A 16 15 N - CA - CB 103.0 110.5 -7.9 CYS A 16 16 N - CA - CB 102.6 110.5 -7.9 CYS A 16 17 N - CA - CB 102.6 110.5 -7.8 CYS A 16 18 N - CA - CB 102.7 110.5 -4.7 PRO A 83 18 CA - N - CD 107.3 112.0 4.6 PRO A 83 18 CB - CA - C 114.7 110.1 -4.3 PRO A 83 18 N - CA - CB 98.7 103.0 9.7 PRO A 83 18 N - CA - C 121.5 111.8 5.8 PRO A 82 18 CA - C - N 122.7 116.9 9.5 PRO A 83 18 C - N - CA 132.1 122.6 4.3 THR A 84 18 C - N - CA 126.0 121.7 -7.8 CYS A 16 19 N - CA - CB 102.7 110.5 9.5 PRO A 83 19 N - CA - C 121.3 111.8 6.2 PRO A 82 19 CA - C - N 123.1 116.9 8.6 PRO A 83 19 C - N - CA 131.2 122.6 -7.7 CYS A 16 20 N - CA - CB 102.8 110.5 4.4 PRO A 82 20 N - CA - C 116.2 111.8 4.5 PRO A 82 20 CA - C - N 121.4 116.9 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 ASN 14 1HD2 1 A ASN 14 2HD2 1 A ASN 31 1HD2 1 A ASN 31 2HD2 1 A GLN 35 1HE2 1 A GLN 35 2HE2 1 A GLN 37 1HE2 1 A GLN 37 2HE2 1 A GLN 67 1HE2 1 A GLN 67 2HE2 1 A ASN 75 1HD2 1 A ASN 75 2HD2 1 A ASN 90 1HD2 1 A ASN 90 2HD2 1 A GLN 91 1HE2 1 A GLN 91 2HE2 1 A ASN 92 1HD2 1 A ASN 92 2HD2 1 A ASN 106 1HD2 1 A ASN 106 2HD2 1 A GLN 108 1HE2 1 A GLN 108 2HE2 1 A GLN 114 1HE2 1 A GLN 114 2HE2 2 A ASN 14 1HD2 2 A ASN 14 2HD2 2 A ASN 31 1HD2 2 A ASN 31 2HD2 2 A GLN 35 1HE2 2 A GLN 35 2HE2 2 A GLN 37 1HE2 2 A GLN 37 2HE2 2 A GLN 67 1HE2 2 A GLN 67 2HE2 2 A ASN 75 1HD2 2 A ASN 75 2HD2 2 A ASN 90 1HD2 2 A ASN 90 2HD2 2 A GLN 91 1HE2 2 A GLN 91 2HE2 2 A ASN 92 1HD2 2 A ASN 92 2HD2 2 A ASN 106 1HD2 2 A ASN 106 2HD2 2 A GLN 108 1HE2 2 A GLN 108 2HE2 2 A GLN 114 1HE2 2 A GLN 114 2HE2 3 A ASN 14 1HD2 3 A ASN 14 2HD2 3 A ASN 31 1HD2 3 A ASN 31 2HD2 3 A GLN 35 1HE2 3 A GLN 35 2HE2 3 A GLN 37 1HE2 3 A GLN 37 2HE2 3 A GLN 67 1HE2 3 A GLN 67 2HE2 3 A ASN 75 1HD2 3 A ASN 75 2HD2 3 A ASN 90 1HD2 3 A ASN 90 2HD2 3 A GLN 91 1HE2 3 A GLN 91 2HE2 3 A ASN 92 1HD2 3 A ASN 92 2HD2 3 A ASN 106 1HD2 3 A ASN 106 2HD2 3 A GLN 108 1HE2 3 A GLN 108 2HE2 3 A GLN 114 1HE2 3 A GLN 114 2HE2 4 A ASN 14 1HD2 4 A ASN 14 2HD2 4 A ASN 31 1HD2 4 A ASN 31 2HD2 4 A GLN 35 1HE2 4 A GLN 35 2HE2 4 A GLN 37 1HE2 4 A GLN 37 2HE2 4 A GLN 67 1HE2 4 A GLN 67 2HE2 4 A ASN 75 1HD2 4 A ASN 75 2HD2 4 A ASN 90 1HD2 4 A ASN 90 2HD2 4 A GLN 91 1HE2 4 A GLN 91 2HE2 4 A ASN 92 1HD2 4 A ASN 92 2HD2 4 A ASN 106 1HD2 4 A ASN 106 2HD2 4 A GLN 108 1HE2 4 A GLN 108 2HE2 4 A GLN 114 1HE2 4 A GLN 114 2HE2 5 A ASN 14 1HD2 5 A ASN 14 2HD2 5 A ASN 31 1HD2 5 A ASN 31 2HD2 5 A GLN 35 1HE2 5 A GLN 35 2HE2 5 A GLN 37 1HE2 5 A GLN 37 2HE2 5 A GLN 67 1HE2 5 A GLN 67 2HE2 5 A ASN 75 1HD2 5 A ASN 75 2HD2 5 A ASN 90 1HD2 5 A ASN 90 2HD2 5 A GLN 91 1HE2 5 A GLN 91 2HE2 5 A ASN 92 1HD2 5 A ASN 92 2HD2 5 A ASN 106 1HD2 5 A ASN 106 2HD2 5 A GLN 108 1HE2 5 A GLN 108 2HE2 5 A GLN 114 1HE2 5 A GLN 114 2HE2 6 A ASN 14 1HD2 6 A ASN 14 2HD2 6 A ASN 31 1HD2 6 A ASN 31 2HD2 6 A GLN 35 1HE2 6 A GLN 35 2HE2 6 A GLN 37 1HE2 6 A GLN 37 2HE2 6 A GLN 67 1HE2 6 A GLN 67 2HE2 6 A ASN 75 1HD2 6 A ASN 75 2HD2 6 A ASN 90 1HD2 6 A ASN 90 2HD2 6 A GLN 91 1HE2 6 A GLN 91 2HE2 6 A ASN 92 1HD2 6 A ASN 92 2HD2 6 A ASN 106 1HD2 6 A ASN 106 2HD2 6 A GLN 108 1HE2 6 A GLN 108 2HE2 6 A GLN 114 1HE2 6 A GLN 114 2HE2 7 A ASN 14 1HD2 7 A ASN 14 2HD2 7 A ASN 31 1HD2 7 A ASN 31 2HD2 7 A GLN 35 1HE2 7 A GLN 35 2HE2 7 A GLN 37 1HE2 7 A GLN 37 2HE2 7 A GLN 67 1HE2 7 A GLN 67 2HE2 7 A ASN 75 1HD2 7 A ASN 75 2HD2 7 A ASN 90 1HD2 7 A ASN 90 2HD2 7 A GLN 91 1HE2 7 A GLN 91 2HE2 7 A ASN 92 1HD2 7 A ASN 92 2HD2 7 A ASN 106 1HD2 7 A ASN 106 2HD2 7 A GLN 108 1HE2 7 A GLN 108 2HE2 7 A GLN 114 1HE2 7 A GLN 114 2HE2 8 A ASN 14 1HD2 8 A ASN 14 2HD2 8 A ASN 31 1HD2 8 A ASN 31 2HD2 8 A GLN 35 1HE2 8 A GLN 35 2HE2 8 A GLN 37 1HE2 8 A GLN 37 2HE2 8 A GLN 67 1HE2 8 A GLN 67 2HE2 8 A ASN 75 1HD2 8 A ASN 75 2HD2 8 A ASN 90 1HD2 8 A ASN 90 2HD2 8 A GLN 91 1HE2 8 A GLN 91 2HE2 8 A ASN 92 1HD2 8 A ASN 92 2HD2 8 A ASN 106 1HD2 8 A ASN 106 2HD2 8 A GLN 108 1HE2 8 A GLN 108 2HE2 8 A GLN 114 1HE2 8 A GLN 114 2HE2 9 A ASN 14 1HD2 9 A ASN 14 2HD2 9 A ASN 31 1HD2 9 A ASN 31 2HD2 9 A GLN 35 1HE2 9 A GLN 35 2HE2 9 A GLN 37 1HE2 9 A GLN 37 2HE2 9 A GLN 67 1HE2 9 A GLN 67 2HE2 9 A ASN 75 1HD2 9 A ASN 75 2HD2 9 A ASN 90 1HD2 9 A ASN 90 2HD2 9 A GLN 91 1HE2 9 A GLN 91 2HE2 9 A ASN 92 1HD2 9 A ASN 92 2HD2 9 A ASN 106 1HD2 9 A ASN 106 2HD2 9 A GLN 108 1HE2 9 A GLN 108 2HE2 9 A GLN 114 1HE2 9 A GLN 114 2HE2 10 A ASN 14 1HD2 10 A ASN 14 2HD2 10 A ASN 31 1HD2 10 A ASN 31 2HD2 10 A GLN 35 1HE2 10 A GLN 35 2HE2 10 A GLN 37 1HE2 10 A GLN 37 2HE2 10 A GLN 67 1HE2 10 A GLN 67 2HE2 10 A ASN 75 1HD2 10 A ASN 75 2HD2 10 A ASN 90 1HD2 10 A ASN 90 2HD2 10 A GLN 91 1HE2 10 A GLN 91 2HE2 10 A ASN 92 1HD2 10 A ASN 92 2HD2 10 A ASN 106 1HD2 10 A ASN 106 2HD2 10 A GLN 108 1HE2 10 A GLN 108 2HE2 10 A GLN 114 1HE2 10 A GLN 114 2HE2 11 A ASN 14 1HD2 11 A ASN 14 2HD2 11 A ASN 31 1HD2 11 A ASN 31 2HD2 11 A GLN 35 1HE2 11 A GLN 35 2HE2 11 A GLN 37 1HE2 11 A GLN 37 2HE2 11 A GLN 67 1HE2 11 A GLN 67 2HE2 11 A ASN 75 1HD2 11 A ASN 75 2HD2 11 A ASN 90 1HD2 11 A ASN 90 2HD2 11 A GLN 91 1HE2 11 A GLN 91 2HE2 11 A ASN 92 1HD2 11 A ASN 92 2HD2 11 A ASN 106 1HD2 11 A ASN 106 2HD2 11 A GLN 108 1HE2 11 A GLN 108 2HE2 11 A GLN 114 1HE2 11 A GLN 114 2HE2 12 A ASN 14 1HD2 12 A ASN 14 2HD2 12 A ASN 31 1HD2 12 A ASN 31 2HD2 12 A GLN 35 1HE2 12 A GLN 35 2HE2 12 A GLN 37 1HE2 12 A GLN 37 2HE2 12 A GLN 67 1HE2 12 A GLN 67 2HE2 12 A ASN 75 1HD2 12 A ASN 75 2HD2 12 A ASN 90 1HD2 12 A ASN 90 2HD2 12 A GLN 91 1HE2 12 A GLN 91 2HE2 12 A ASN 92 1HD2 12 A ASN 92 2HD2 12 A ASN 106 1HD2 12 A ASN 106 2HD2 12 A GLN 108 1HE2 12 A GLN 108 2HE2 12 A GLN 114 1HE2 12 A GLN 114 2HE2 13 A ASN 14 1HD2 13 A ASN 14 2HD2 13 A ASN 31 1HD2 13 A ASN 31 2HD2 13 A GLN 35 1HE2 13 A GLN 35 2HE2 13 A GLN 37 1HE2 13 A GLN 37 2HE2 13 A GLN 67 1HE2 13 A GLN 67 2HE2 13 A ASN 75 1HD2 13 A ASN 75 2HD2 13 A ASN 90 1HD2 13 A ASN 90 2HD2 13 A GLN 91 1HE2 13 A GLN 91 2HE2 13 A ASN 92 1HD2 13 A ASN 92 2HD2 13 A ASN 106 1HD2 13 A ASN 106 2HD2 13 A GLN 108 1HE2 13 A GLN 108 2HE2 13 A GLN 114 1HE2 13 A GLN 114 2HE2 14 A ASN 14 1HD2 14 A ASN 14 2HD2 14 A ASN 31 1HD2 14 A ASN 31 2HD2 14 A GLN 35 1HE2 14 A GLN 35 2HE2 14 A GLN 37 1HE2 14 A GLN 37 2HE2 14 A GLN 67 1HE2 14 A GLN 67 2HE2 14 A ASN 75 1HD2 14 A ASN 75 2HD2 14 A ASN 90 1HD2 14 A ASN 90 2HD2 14 A GLN 91 1HE2 14 A GLN 91 2HE2 14 A ASN 92 1HD2 14 A ASN 92 2HD2 14 A ASN 106 1HD2 14 A ASN 106 2HD2 14 A GLN 108 1HE2 14 A GLN 108 2HE2 14 A GLN 114 1HE2 14 A GLN 114 2HE2 15 A ASN 14 1HD2 15 A ASN 14 2HD2 15 A ASN 31 1HD2 15 A ASN 31 2HD2 15 A GLN 35 1HE2 15 A GLN 35 2HE2 15 A GLN 37 1HE2 15 A GLN 37 2HE2 15 A GLN 67 1HE2 15 A GLN 67 2HE2 15 A ASN 75 1HD2 15 A ASN 75 2HD2 15 A ASN 90 1HD2 15 A ASN 90 2HD2 15 A GLN 91 1HE2 15 A GLN 91 2HE2 15 A ASN 92 1HD2 15 A ASN 92 2HD2 15 A ASN 106 1HD2 15 A ASN 106 2HD2 15 A GLN 108 1HE2 15 A GLN 108 2HE2 15 A GLN 114 1HE2 15 A GLN 114 2HE2 16 A ASN 14 1HD2 16 A ASN 14 2HD2 16 A ASN 31 1HD2 16 A ASN 31 2HD2 16 A GLN 35 1HE2 16 A GLN 35 2HE2 16 A GLN 37 1HE2 16 A GLN 37 2HE2 16 A GLN 67 1HE2 16 A GLN 67 2HE2 16 A ASN 75 1HD2 16 A ASN 75 2HD2 16 A ASN 90 1HD2 16 A ASN 90 2HD2 16 A GLN 91 1HE2 16 A GLN 91 2HE2 16 A ASN 92 1HD2 16 A ASN 92 2HD2 16 A ASN 106 1HD2 16 A ASN 106 2HD2 16 A GLN 108 1HE2 16 A GLN 108 2HE2 16 A GLN 114 1HE2 16 A GLN 114 2HE2 17 A ASN 14 1HD2 17 A ASN 14 2HD2 17 A ASN 31 1HD2 17 A ASN 31 2HD2 17 A GLN 35 1HE2 17 A GLN 35 2HE2 17 A GLN 37 1HE2 17 A GLN 37 2HE2 17 A GLN 67 1HE2 17 A GLN 67 2HE2 17 A ASN 75 1HD2 17 A ASN 75 2HD2 17 A ASN 90 1HD2 17 A ASN 90 2HD2 17 A GLN 91 1HE2 17 A GLN 91 2HE2 17 A ASN 92 1HD2 17 A ASN 92 2HD2 17 A ASN 106 1HD2 17 A ASN 106 2HD2 17 A GLN 108 1HE2 17 A GLN 108 2HE2 17 A GLN 114 1HE2 17 A GLN 114 2HE2 18 A ASN 14 1HD2 18 A ASN 14 2HD2 18 A ASN 31 1HD2 18 A ASN 31 2HD2 18 A GLN 35 1HE2 18 A GLN 35 2HE2 18 A GLN 37 1HE2 18 A GLN 37 2HE2 18 A GLN 67 1HE2 18 A GLN 67 2HE2 18 A ASN 75 1HD2 18 A ASN 75 2HD2 18 A ASN 90 1HD2 18 A ASN 90 2HD2 18 A GLN 91 1HE2 18 A GLN 91 2HE2 18 A ASN 92 1HD2 18 A ASN 92 2HD2 18 A ASN 106 1HD2 18 A ASN 106 2HD2 18 A GLN 108 1HE2 18 A GLN 108 2HE2 18 A GLN 114 1HE2 18 A GLN 114 2HE2 19 A ASN 14 1HD2 19 A ASN 14 2HD2 19 A ASN 31 1HD2 19 A ASN 31 2HD2 19 A GLN 35 1HE2 19 A GLN 35 2HE2 19 A GLN 37 1HE2 19 A GLN 37 2HE2 19 A GLN 67 1HE2 19 A GLN 67 2HE2 19 A ASN 75 1HD2 19 A ASN 75 2HD2 19 A ASN 90 1HD2 19 A ASN 90 2HD2 19 A GLN 91 1HE2 19 A GLN 91 2HE2 19 A ASN 92 1HD2 19 A ASN 92 2HD2 19 A ASN 106 1HD2 19 A ASN 106 2HD2 19 A GLN 108 1HE2 19 A GLN 108 2HE2 19 A GLN 114 1HE2 19 A GLN 114 2HE2 20 A ASN 14 1HD2 20 A ASN 14 2HD2 20 A ASN 31 1HD2 20 A ASN 31 2HD2 20 A GLN 35 1HE2 20 A GLN 35 2HE2 20 A GLN 37 1HE2 20 A GLN 37 2HE2 20 A GLN 67 1HE2 20 A GLN 67 2HE2 20 A ASN 75 1HD2 20 A ASN 75 2HD2 20 A ASN 90 1HD2 20 A ASN 90 2HD2 20 A GLN 91 1HE2 20 A GLN 91 2HE2 20 A ASN 92 1HD2 20 A ASN 92 2HD2 20 A ASN 106 1HD2 20 A ASN 106 2HD2 20 A GLN 108 1HE2 20 A GLN 108 2HE2 20 A GLN 114 1HE2 20 A GLN 114 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) HD1 HIS( 1 A 8) HD1 HIS( 1 A 10) HD1 GLU( 1 A 18) HE2 GLU( 1 A 19) HE2 ASP( 1 A 21) HD2 ASP( 1 A 23) HD2 GLU( 1 A 34) HE2 ASP( 1 A 36) HD2 GLU( 1 A 43) HE2 ASP( 1 A 50) HD2 ASP( 1 A 85) HD2 GLU( 1 A 98) HE2 ASP( 1 A 99) HD2 GLU( 1 A 110) HE2 GLU( 1 A 111) HE2 HIS( 2 A 3) HE2 HIS( 2 A 4) HE2 HIS( 2 A 5) HE2 HIS( 2 A 6) HE2 HIS( 2 A 7) HD1 HIS( 2 A 8) HE2 HIS( 2 A 10) HD1 GLU( 2 A 18) HE2 GLU( 2 A 19) HE2 ASP( 2 A 21) HD2 ASP( 2 A 23) HD2 GLU( 2 A 34) HE2 ASP( 2 A 36) HD2 GLU( 2 A 43) HE2 ASP( 2 A 50) HD2 ASP( 2 A 85) HD2 GLU( 2 A 98) HE2 ASP( 2 A 99) HD2 GLU( 2 A 110) HE2 GLU( 2 A 111) HE2 HIS( 3 A 3) HE2 HIS( 3 A 4) HD1 HIS( 3 A 5) HD1 HIS( 3 A 6) HD1 HIS( 3 A 7) HE2 HIS( 3 A 8) HE2 HIS( 3 A 10) HD1 GLU( 3 A 18) HE2 GLU( 3 A 19) HE2 ASP( 3 A 21) HD2 ASP( 3 A 23) HD2 GLU( 3 A 34) HE2 ASP( 3 A 36) HD2 GLU( 3 A 43) HE2 ASP( 3 A 50) HD2 ASP( 3 A 85) HD2 GLU( 3 A 98) HE2 ASP( 3 A 99) HD2 GLU( 3 A 110) HE2 GLU( 3 A 111) HE2 HIS( 4 A 3) HD1 HIS( 4 A 4) HD1 HIS( 4 A 5) HE2 HIS( 4 A 6) HE2 HIS( 4 A 7) HD1 HIS( 4 A 8) HE2 HIS( 4 A 10) HD1 GLU( 4 A 18) HE2 GLU( 4 A 19) HE2 ASP( 4 A 21) HD2 ASP( 4 A 23) HD2 GLU( 4 A 34) HE2 ASP( 4 A 36) HD2 GLU( 4 A 43) HE2 ASP( 4 A 50) HD2 ASP( 4 A 85) HD2 GLU( 4 A 98) HE2 ASP( 4 A 99) HD2 GLU( 4 A 110) HE2 GLU( 4 A 111) HE2 HIS( 5 A 3) HD1 HIS( 5 A 4) HD1 HIS( 5 A 5) HE2 HIS( 5 A 6) HE2 HIS( 5 A 7) HD1 HIS( 5 A 8) HD1 HIS( 5 A 10) HD1 GLU( 5 A 18) HE2 GLU( 5 A 19) HE2 ASP( 5 A 21) HD2 ASP( 5 A 23) HD2 GLU( 5 A 34) HE2 ASP( 5 A 36) HD2 GLU( 5 A 43) HE2 ASP( 5 A 50) HD2 ASP( 5 A 85) HD2 GLU( 5 A 98) HE2 ASP( 5 A 99) HD2 GLU( 5 A 110) HE2 GLU( 5 A 111) HE2 HIS( 6 A 3) HE2 HIS( 6 A 4) HE2 HIS( 6 A 5) HE2 HIS( 6 A 6) HE2 HIS( 6 A 7) HD1 HIS( 6 A 8) HD1 HIS( 6 A 10) HD1 GLU( 6 A 18) HE2 GLU( 6 A 19) HE2 ASP( 6 A 21) HD2 ASP( 6 A 23) HD2 GLU( 6 A 34) HE2 ASP( 6 A 36) HD2 GLU( 6 A 43) HE2 ASP( 6 A 50) HD2 ASP( 6 A 85) HD2 GLU( 6 A 98) HE2 ASP( 6 A 99) HD2 GLU( 6 A 110) HE2 GLU( 6 A 111) HE2 HIS( 7 A 3) HE2 HIS( 7 A 4) HD1 HIS( 7 A 5) HD1 HIS( 7 A 6) HD1 HIS( 7 A 7) HE2 HIS( 7 A 8) HE2 HIS( 7 A 10) HD1 GLU( 7 A 18) HE2 GLU( 7 A 19) HE2 ASP( 7 A 21) HD2 ASP( 7 A 23) HD2 GLU( 7 A 34) HE2 ASP( 7 A 36) HD2 GLU( 7 A 43) HE2 ASP( 7 A 50) HD2 ASP( 7 A 85) HD2 GLU( 7 A 98) HE2 ASP( 7 A 99) HD2 GLU( 7 A 110) HE2 GLU( 7 A 111) HE2 HIS( 8 A 3) HE2 HIS( 8 A 4) HD1 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 GLU( 8 A 18) HE2 GLU( 8 A 19) HE2 ASP( 8 A 21) HD2 ASP( 8 A 23) HD2 GLU( 8 A 34) HE2 ASP( 8 A 36) HD2 GLU( 8 A 43) HE2 ASP( 8 A 50) HD2 ASP( 8 A 85) HD2 GLU( 8 A 98) HE2 ASP( 8 A 99) HD2 GLU( 8 A 110) HE2 GLU( 8 A 111) HE2 HIS( 9 A 3) HE2 HIS( 9 A 4) HE2 HIS( 9 A 5) HE2 HIS( 9 A 6) HD1 HIS( 9 A 7) HE2 HIS( 9 A 8) HD1 HIS( 9 A 10) HD1 GLU( 9 A 18) HE2 GLU( 9 A 19) HE2 ASP( 9 A 21) HD2 ASP( 9 A 23) HD2 GLU( 9 A 34) HE2 ASP( 9 A 36) HD2 GLU( 9 A 43) HE2 ASP( 9 A 50) HD2 ASP( 9 A 85) HD2 GLU( 9 A 98) HE2 ASP( 9 A 99) HD2 GLU( 9 A 110) HE2 GLU( 9 A 111) HE2 HIS( 10 A 3) HD1 HIS( 10 A 4) HE2 HIS( 10 A 5) HE2 HIS( 10 A 6) HD1 HIS( 10 A 7) HE2 HIS( 10 A 8) HD1 HIS( 10 A 10) HD1 GLU( 10 A 18) HE2 GLU( 10 A 19) HE2 ASP( 10 A 21) HD2 ASP( 10 A 23) HD2 GLU( 10 A 34) HE2 ASP( 10 A 36) HD2 GLU( 10 A 43) HE2 ASP( 10 A 50) HD2 ASP( 10 A 85) HD2 GLU( 10 A 98) HE2 ASP( 10 A 99) HD2 GLU( 10 A 110) HE2 GLU( 10 A 111) 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 GLU( 11 A 18) HE2 GLU( 11 A 19) HE2 ASP( 11 A 21) HD2 ASP( 11 A 23) HD2 GLU( 11 A 34) HE2 ASP( 11 A 36) HD2 GLU( 11 A 43) HE2 ASP( 11 A 50) HD2 ASP( 11 A 85) HD2 GLU( 11 A 98) HE2 ASP( 11 A 99) HD2 GLU( 11 A 110) HE2 GLU( 11 A 111) HE2 HIS( 12 A 3) HE2 HIS( 12 A 4) HE2 HIS( 12 A 5) HE2 HIS( 12 A 6) HE2 HIS( 12 A 7) HE2 HIS( 12 A 8) HE2 HIS( 12 A 10) HD1 GLU( 12 A 18) HE2 GLU( 12 A 19) HE2 ASP( 12 A 21) HD2 ASP( 12 A 23) HD2 GLU( 12 A 34) HE2 ASP( 12 A 36) HD2 GLU( 12 A 43) HE2 ASP( 12 A 50) HD2 ASP( 12 A 85) HD2 GLU( 12 A 98) HE2 ASP( 12 A 99) HD2 GLU( 12 A 110) HE2 GLU( 12 A 111) HE2 HIS( 13 A 3) HD1 HIS( 13 A 4) HE2 HIS( 13 A 5) HE2 HIS( 13 A 6) HD1 HIS( 13 A 7) HE2 HIS( 13 A 8) HE2 HIS( 13 A 10) HD1 GLU( 13 A 18) HE2 GLU( 13 A 19) HE2 ASP( 13 A 21) HD2 ASP( 13 A 23) HD2 GLU( 13 A 34) HE2 ASP( 13 A 36) HD2 GLU( 13 A 43) HE2 ASP( 13 A 50) HD2 ASP( 13 A 85) HD2 GLU( 13 A 98) HE2 ASP( 13 A 99) HD2 GLU( 13 A 110) HE2 GLU( 13 A 111) HE2 HIS( 14 A 3) HE2 HIS( 14 A 4) HE2 HIS( 14 A 5) HD1 HIS( 14 A 6) HE2 HIS( 14 A 7) HE2 HIS( 14 A 8) HD1 HIS( 14 A 10) HD1 GLU( 14 A 18) HE2 GLU( 14 A 19) HE2 ASP( 14 A 21) HD2 ASP( 14 A 23) HD2 GLU( 14 A 34) HE2 ASP( 14 A 36) HD2 GLU( 14 A 43) HE2 ASP( 14 A 50) HD2 ASP( 14 A 85) HD2 GLU( 14 A 98) HE2 ASP( 14 A 99) HD2 GLU( 14 A 110) HE2 GLU( 14 A 111) HE2 HIS( 15 A 3) HE2 HIS( 15 A 4) HE2 HIS( 15 A 5) HD1 HIS( 15 A 6) HE2 HIS( 15 A 7) HE2 HIS( 15 A 8) HD1 HIS( 15 A 10) HD1 GLU( 15 A 18) HE2 GLU( 15 A 19) HE2 ASP( 15 A 21) HD2 ASP( 15 A 23) HD2 GLU( 15 A 34) HE2 ASP( 15 A 36) HD2 GLU( 15 A 43) HE2 ASP( 15 A 50) HD2 ASP( 15 A 85) HD2 GLU( 15 A 98) HE2 ASP( 15 A 99) HD2 GLU( 15 A 110) HE2 GLU( 15 A 111) HE2 HIS( 16 A 3) HD1 HIS( 16 A 4) HE2 HIS( 16 A 5) HD1 HIS( 16 A 6) HE2 HIS( 16 A 7) HD1 HIS( 16 A 8) HE2 HIS( 16 A 10) HD1 GLU( 16 A 18) HE2 GLU( 16 A 19) HE2 ASP( 16 A 21) HD2 ASP( 16 A 23) HD2 GLU( 16 A 34) HE2 ASP( 16 A 36) HD2 GLU( 16 A 43) HE2 ASP( 16 A 50) HD2 ASP( 16 A 85) HD2 GLU( 16 A 98) HE2 ASP( 16 A 99) HD2 GLU( 16 A 110) HE2 GLU( 16 A 111) HE2 HIS( 17 A 3) HD1 HIS( 17 A 4) HD1 HIS( 17 A 5) HD1 HIS( 17 A 6) HE2 HIS( 17 A 7) HD1 HIS( 17 A 8) HE2 HIS( 17 A 10) HD1 GLU( 17 A 18) HE2 GLU( 17 A 19) HE2 ASP( 17 A 21) HD2 ASP( 17 A 23) HD2 GLU( 17 A 34) HE2 ASP( 17 A 36) HD2 GLU( 17 A 43) HE2 ASP( 17 A 50) HD2 ASP( 17 A 85) HD2 GLU( 17 A 98) HE2 ASP( 17 A 99) HD2 GLU( 17 A 110) HE2 GLU( 17 A 111) HE2 HIS( 18 A 3) HD1 HIS( 18 A 4) HE2 HIS( 18 A 5) HD1 HIS( 18 A 6) HE2 HIS( 18 A 7) HE2 HIS( 18 A 8) HD1 HIS( 18 A 10) HD1 GLU( 18 A 18) HE2 GLU( 18 A 19) HE2 ASP( 18 A 21) HD2 ASP( 18 A 23) HD2 GLU( 18 A 34) HE2 ASP( 18 A 36) HD2 GLU( 18 A 43) HE2 ASP( 18 A 50) HD2 ASP( 18 A 85) HD2 GLU( 18 A 98) HE2 ASP( 18 A 99) HD2 GLU( 18 A 110) HE2 GLU( 18 A 111) HE2 HIS( 19 A 3) HE2 HIS( 19 A 4) HD1 HIS( 19 A 5) HE2 HIS( 19 A 6) HE2 HIS( 19 A 7) HE2 HIS( 19 A 8) HD1 HIS( 19 A 10) HD1 GLU( 19 A 18) HE2 GLU( 19 A 19) HE2 ASP( 19 A 21) HD2 ASP( 19 A 23) HD2 GLU( 19 A 34) HE2 ASP( 19 A 36) HD2 GLU( 19 A 43) HE2 ASP( 19 A 50) HD2 ASP( 19 A 85) HD2 GLU( 19 A 98) HE2 ASP( 19 A 99) HD2 GLU( 19 A 110) HE2 GLU( 19 A 111) HE2 HIS( 20 A 3) HE2 HIS( 20 A 4) HD1 HIS( 20 A 5) HE2 HIS( 20 A 6) HE2 HIS( 20 A 7) HD1 HIS( 20 A 8) HE2 HIS( 20 A 10) HD1 GLU( 20 A 18) HE2 GLU( 20 A 19) HE2 ASP( 20 A 21) HD2 ASP( 20 A 23) HD2 GLU( 20 A 34) HE2 ASP( 20 A 36) HD2 GLU( 20 A 43) HE2 ASP( 20 A 50) HD2 ASP( 20 A 85) HD2 GLU( 20 A 98) HE2 ASP( 20 A 99) HD2 GLU( 20 A 110) HE2 GLU( 20 A 111) HE2 ==> The following residues have extra atoms: RES MOD#C SEQ ATOMS THR( 1 A 122) O2 THR( 2 A 122) O2 THR( 3 A 122) O2 THR( 4 A 122) O2 THR( 5 A 122) O2 THR( 6 A 122) O2 THR( 7 A 122) O2 THR( 8 A 122) O2 THR( 9 A 122) O2 THR( 10 A 122) O2 THR( 11 A 122) O2 THR( 12 A 122) O2 THR( 13 A 122) O2 THR( 14 A 122) O2 THR( 15 A 122) O2 THR( 16 A 122) O2 THR( 17 A 122) O2 THR( 18 A 122) O2 THR( 19 A 122) O2 THR( 20 A 122) O2 HR5546A_R3Cons_em_bcr3.pdb: Missing KEYWDS records HR5546A_R3Cons_em_bcr3.pdb: Missing TITLE record