HEADER PLANT SEED PROTEIN 30-APR-81 1CRN TITLE Crambin COMPND Crambin SOURCE Abyssinian Cabbage (Crambe Abyssinica) Seed AUTHOR W.A.Hendrickson,M.M.Teeter REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.M.Teeter REMARK 1 TITL Water Structure Of A Hydrophobic Protein At Atomic REMARK 1 TITL 2 Resolution. Pentagon Rings Of Water Molecules In REMARK 1 TITL 3 Crystals Of Crambin REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 81 6014 1984 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 040 REMARK 1 REFERENCE 2 REMARK 1 AUTH W.A.Hendrickson,M.M.Teeter REMARK 1 TITL Structure Of The Hydrophobic Protein Crambin REMARK 1 TITL 2 Determined Directly From The Anomalous Scattering REMARK 1 TITL 3 Of Sulphur REMARK 1 REF NATURE V. 29 107 1981 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 REMARK 1 REFERENCE 3 REMARK 1 AUTH M.M.Teeter,W.A.Hendrickson REMARK 1 TITL Highly Ordered Crystals Of The Plant Seed Protein REMARK 1 TITL 2 Crambin REMARK 1 REF J.MOL.BIOL. V. 12 219 1979 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 REMARK 2 REMARK 2 RESOLUTION. 1.5 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. RESTRAINED LEAST SQUARES (HENDRICKSON,W.A., REMARK 3 KONNERT,J.H. COMPUTING IN CRYSTALLOGRAPHY, EDS.DIAMOND,R., REMARK 3 RAMASESHAN,S.,VENKATESAN,K. (1980)). REMARK 4 REMARK 4 CONFORMATIONAL HETEROGENEITY EXISTS AT ILE 7 AND ILE 25 REMARK 4 WHERE CD1 ATOMS TAKE EITHER OF TWO STAGGERED POSSIBILITIES. REMARK 4 COMPOSITIONAL HETEROGENEITY ALSO EXISTS AT POSITIONS 22 AND REMARK 4 25. REFINEMENT PARAMETERS SUGGEST THAT RESIDUE 22 IS ABOUT REMARK 4 60/40 PRO/SER AND THAT RESIDUE 25 IS ABOUT 60/40 ILE/LEU. REMARK 4 THE HETEROGENEITY AT RESIDUE 22 APPARENTLY CAUSES A REMARK 4 DISORDER IN TYR 29 - THE REFINED POSITION OF ITS OH ATOM REMARK 4 MAKES AN IMPOSSIBLY SHORT CONTACT OF 2.6 ANGSTROMS WITH REMARK 4 ATOM CD OF PRO 22 ON A SCREW-RELATED MOLECULE. THE REMARK 4 DEPOSITED COORDINATES ARE ONLY FOR THE MAJOR CONTRIBUTOR AT REMARK 4 EACH SITE (PRO 22 AND ILE 25). DEPOSITION OF THE MODEL OF REMARK 4 DISORDER AND SOLVENT STRUCTURE IS DEFERRED UNTIL HIGHER REMARK 4 RESOLUTION REFINEMENT. THE R-FACTOR FOR THE COMPLETE MODEL REMARK 4 INCLUDING HETEROGENEITY AND SOLVENT IS 0.114 ISOTROPIC AND REMARK 4 0.104 ANISOTROPIC AGAINST ALL DATA IN THE 10.0 TO 1.5 REMARK 4 ANGSTROM SHELL. REMARK 5 REMARK 5 THE SECONDARY STRUCTURE SPECIFICATIONS ARE THOSE DEFINED REMARK 5 IN REFERENCE 1 ABOVE AND DEPEND ON PARTICULAR DEFINITIONS REMARK 5 THAT MAY AFFECT THE DETERMINATION OF END POINTS. PLEASE REMARK 5 CONSULT THE PRIMARY REFERENCE AND EXAMINE STRUCTURAL REMARK 5 DETAILS SUCH AS HYDROGEN BONDING AND CONFORMATION ANGLES REMARK 5 WHEN MAKING USE OF THE SPECIFICATIONS. REMARK 6 REMARK 6 CORRECTION. CORRECT RESIDUE NUMBER ON STRAND 1 OF SHEET S1. REMARK 6 03-DEC-81. REMARK 7 REMARK 7 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83. REMARK 8 REMARK 8 CORRECTION. INSERT NEW PUBLICATION AS REFERENCE 1 AND REMARK 8 RENUMBER THE OTHERS. 04-MAR-85. REMARK 9 REMARK 9 CORRECTION. CHANGE DEPOSITION DATE FROM 31-APR-81 TO REMARK 9 30-APR-81. 16-APR-87. REMARK 960 REMARK 960 EMBEDDED CIF REMARK 960 REMARK 960 ################################################### REMARK 960 # # REMARK 960 # Converted from PDB format to CIF format by # REMARK 960 # pdb2cif version 2.4.3 15 Jul 2005 # REMARK 960 # by # REMARK 960 # P.E. Bourne, H.J. Bernstein and F.C. Bernstein # REMARK 960 # # REMARK 960 # http://www.bernstein-plus-sons.com/software # REMARK 960 # /pdb2cif # REMARK 960 # *** See the remarks at the end of this *** # REMARK 960 # *** file for information on conversion *** # REMARK 960 # *** of this entry and on the program *** # REMARK 960 # *** pdb2cif *** # REMARK 960 # Please report problems to: # REMARK 960 # pdb2cif@bernstein-plus-sons.com # REMARK 960 ################################################### REMARK 960 REMARK 960 REMARK 960 data_1CRN REMARK 960 REMARK 960 _entry.id 1CRN REMARK 960 REMARK 960 REMARK 960 REMARK 960 ################## REMARK 960 # # REMARK 960 # STRUCT # REMARK 960 # # REMARK 960 ################## REMARK 960 REMARK 960 loop_ REMARK 960 _struct.entry_id REMARK 960 1CRN REMARK 960 _reflns.entry_id 1CRN REMARK 960 _cell.entry_id 1CRN REMARK 960 _cell.volume 17204.7 REMARK 960 _cell.details ? REMARK 960 _symmetry.entry_id 1CRN REMARK 960 _audit.revision_id 1CRND REMARK 960 _audit.creation_date 1981-04-30 REMARK 960 ;\ REMARK 960 1981-12-03 PDB revision 1CRNA REMARK 960 1983-09-30 PDB revision 1CRNB REMARK 960 1985-03-04 PDB revision 1CRNC REMARK 960 1987-04-16 PDB revision 1CRND REMARK 960 2005-07-15 Converted to mmCIF format by pdb2cif.pl 2.4.3 REMARK 960 ; REMARK 960 ########################## REMARK 960 # # REMARK 960 # ENTITY_POLY_SEQ # REMARK 960 # # REMARK 960 ########################## REMARK 960 REMARK 960 loop_ REMARK 960 _entity.id REMARK 960 _entity.details REMARK 960 1 REMARK 960 ;\ REMARK 960 Protein chain: * REMARK 960 ; REMARK 960 REMARK 960 loop_ REMARK 960 _chem_comp.id REMARK 960 _chem_comp.formula REMARK 960 _chem_comp.name REMARK 960 ARG 'C6 H14 N4 O2' Arginine REMARK 960 ASN 'C4 H8 N2 O3' Asparagine REMARK 960 ASP 'C4 H7 N1 O4' 'Aspartic acid' REMARK 960 CYS 'C3 H7 N1 O2 S1' REMARK 960 Cysteine REMARK 960 GLU 'C5 H9 N1 O4' 'Glutamic acid' REMARK 960 GLY 'C2 H5 N1 O2' Glycine REMARK 960 ILE 'C6 H13 N1 O2' Isoleucine REMARK 960 LEU 'C6 H13 N1 O2' Leucine REMARK 960 PHE 'C9 H11 N1 O2' Phenylalanine REMARK 960 PRO 'C5 H9 N1 O2' Proline REMARK 960 SER 'C3 H7 N1 O3' Serine REMARK 960 THR 'C4 H9 N1 O3' Threonine REMARK 960 TYR 'C9 H11 N1 O3' Tyrosine REMARK 960 VAL 'C5 H11 N1 O2' V aline REMARK 960 REMARK 960 REMARK 960 REMARK 960 ###################### REMARK 960 # # REMARK 960 # ATOM_SITES # REMARK 960 # # REMARK 960 ###################### REMARK 960 REMARK 960 REMARK 960 REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _database_pdb_matrix.entry_id REMARK 960 1CRN REMARK 960 REMARK 960 loop_ REMARK 960 _atom_sites.entry_id REMARK 960 _atom_sites.cartn_transform_axes REMARK 960 1CRN REMARK 960 'See _atom_sites.fract_transf_matrix[i][j]' REMARK 960 REMARK 960 _database_2.database_id PDB REMARK 960 loop_ REMARK 960 _database_PDB_rev.num REMARK 960 _database_PDB_rev.date REMARK 960 _database_PDB_rev.mod_type REMARK 960 _database_PDB_rev.status REMARK 960 _database_PDB_rev.replaced_by REMARK 960 _database_PDB_rev.replaces REMARK 960 4 1985-03-04 REMARK 960 1 . . . REMARK 960 3 1983-09-30 REMARK 960 1 . . . REMARK 960 2 1981-12-03 REMARK 960 1 . . . REMARK 960 1 1981-07-28 REMARK 960 0 . . . REMARK 960 REMARK 960 loop_ REMARK 960 _database_PDB_rev_record.rev_num REMARK 960 _database_PDB_rev_record.details REMARK 960 _database_PDB_rev_record.type REMARK 960 4 1CRNC REMARK REMARK 960 3 1CRNB REVDAT REMARK 960 2 1CRNA SHEET REMARK 960 REMARK 960 REMARK 960 REMARK 960 #################### REMARK 960 # # REMARK 960 # STRUCT_BIOL # REMARK 960 # # REMARK 960 #################### REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _struct_biol.id REMARK 960 * REMARK 960 loop_ REMARK 960 _struct_biol_gen.biol_id REMARK 960 _struct_biol_gen.asym_id REMARK 960 _struct_biol_gen.symmetry REMARK 960 _struct_biol_gen.details REMARK 960 * * 1_555 . REMARK 960 REMARK 960 REMARK 960 REMARK 960 ############################## REMARK 960 # # REMARK 960 # STRUCT_CONN_TYPE # REMARK 960 # # REMARK 960 ############################## REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conn_type.id REMARK 960 _struct_conn_type.criteria REMARK 960 _struct_conn_type.reference REMARK 960 saltbr 'salt bridge from PDB entry' ? REMARK 960 hydrog 'hydrogen bond from PDB entry' ? REMARK 960 disulf 'disulfide bridge from PDB entry' ? REMARK 960 REMARK 960 REMARK 960 REMARK 960 ############################## REMARK 960 # # REMARK 960 # STRUCT_CONN # REMARK 960 # # REMARK 960 ############################## REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conn.id REMARK 960 _struct_conn.conn_type_id REMARK 960 _struct_conn.ptnr1_label_comp_id REMARK 960 _struct_conn.ptnr1_label_asym_id REMARK 960 _struct_conn.ptnr1_auth_seq_id REMARK 960 _struct_conn.ptnr1_label_atom_id REMARK 960 _struct_conn.ptnr1_label_alt_id REMARK 960 _struct_conn.ptnr1_role REMARK 960 _struct_conn.ptnr1_symmetry REMARK 960 _struct_conn.ptnr2_label_comp_id REMARK 960 _struct_conn.ptnr2_label_asym_id REMARK 960 _struct_conn.ptnr2_auth_seq_id REMARK 960 _struct_conn.ptnr2_label_atom_id REMARK 960 _struct_conn.ptnr2_label_alt_id REMARK 960 _struct_conn.ptnr2_role REMARK 960 _struct_conn.ptnr2_symmetry REMARK 960 _struct_conn.pdb2cif_ptnr1_atom_site_id REMARK 960 #< not in dictionary REMARK 960 _struct_conn.ptnr1_label_seq_id REMARK 960 _struct_conn.pdb2cif_ptnr2_atom_site_id REMARK 960 #< not in dictionary REMARK 960 _struct_conn.ptnr2_label_seq_id REMARK 960 2 disulf CYS * 3 SG . . . CYS * 40 REMARK 960 SG REMARK 960 . . . REMARK 960 20 3 282 40 REMARK 960 3 . CYS * 4 CB . . . CYS * 4 REMARK 960 SG REMARK 960 . . . REMARK 960 25 4 26 4 REMARK 960 4 disulf CYS * 4 SG . . . CYS * 32 REMARK 960 SG REMARK 960 . . . REMARK 960 26 4 229 32 REMARK 960 5 . CYS * 16 CB . . . CYS * 16 REMARK 960 SG REMARK 960 . . . REMARK 960 115 16 116 16 REMARK 960 6 disulf CYS * 16 SG . . . CYS * 26 REMARK 960 SG REMARK 960 . . . REMARK 960 116 16 188 26 REMARK 960 7 . CYS * 26 CB . . . CYS * 26 REMARK 960 SG REMARK 960 . . . REMARK 960 187 26 188 26 REMARK 960 8 . CYS * 32 CB . . . CYS * 32 REMARK 960 SG REMARK 960 . . . REMARK 960 228 32 229 32 REMARK 960 9 . CYS * 40 CB . . . CYS * 40 REMARK 960 SG REMARK 960 . . . REMARK 960 281 40 282 40 REMARK 960 REMARK 960 REMARK 960 REMARK 960 #################### REMARK 960 # # REMARK 960 # STRUCT_CONF # REMARK 960 # # REMARK 960 #################### REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conf_type.id REMARK 960 _struct_conf_type.criteria REMARK 960 _struct_conf_type.reference REMARK 960 TURN_P 'From PDB' . REMARK 960 REMARK 960 loop_ REMARK 960 _struct_conf.id REMARK 960 _struct_conf.conf_type_id REMARK 960 _struct_conf.beg_label_comp_id REMARK 960 _struct_conf.beg_label_asym_id REMARK 960 _struct_conf.beg_auth_seq_id REMARK 960 _struct_conf.end_label_comp_id REMARK 960 _struct_conf.end_label_asym_id REMARK 960 _struct_conf.end_auth_seq_id REMARK 960 _struct_conf.details REMARK 960 _struct_conf.beg_label_seq_id REMARK 960 _struct_conf.end_label_seq_id REMARK 960 helix_H2 HELX_RH_AL_P GLU * 23 THR * 30 REMARK 960 'DISTORTED 3/10 AT RES 30' REMARK 960 23 30 REMARK 960 turn_T1 TURN_P PRO * 41 TYR * 44 ' ' REMARK 960 41 44 REMARK 960 REMARK 960 REMARK 960 REMARK 960 ################ REMARK 960 # # REMARK 960 # STRUCT_SHEET # REMARK 960 # # REMARK 960 ################ REMARK 960 REMARK 960 loop_ REMARK 960 _struct_sheet.id REMARK 960 _struct_sheet.number_strands REMARK 960 S1 2 REMARK 960 REMARK 960 loop_ REMARK 960 _struct_sheet_hbond.sheet_id REMARK 960 _struct_sheet_hbond.range_id_1 REMARK 960 _struct_sheet_hbond.range_id_2 REMARK 960 _struct_sheet_hbond.range_1_beg_auth_seq_id REMARK 960 _struct_sheet_hbond.range_1_beg_label_atom_id REMARK 960 _struct_sheet_hbond.range_2_beg_auth_seq_id REMARK 960 _struct_sheet_hbond.range_2_beg_label_atom_id REMARK 960 _struct_sheet_hbond.range_1_end_auth_seq_id REMARK 960 _struct_sheet_hbond.range_1_end_label_atom_id REMARK 960 _struct_sheet_hbond.range_2_end_auth_seq_id REMARK 960 _struct_sheet_hbond.range_2_end_label_atom_id REMARK 960 _struct_sheet_hbond.range_1_beg_label_seq_id REMARK 960 _struct_sheet_hbond.range_2_beg_label_seq_id REMARK 960 _struct_sheet_hbond.range_1_end_label_seq_id REMARK 960 _struct_sheet_hbond.range_2_end_label_seq_id REMARK 960 S1 1_S1 2_S1 . . . . . . . REMARK 960 . REMARK 960 . . . . REMARK 960 REMARK 960 loop_ REMARK 960 _struct_sheet_order.sheet_id REMARK 960 _struct_sheet_order.range_id_1 REMARK 960 _struct_sheet_order.range_id_2 REMARK 960 _struct_sheet_order.offset REMARK 960 _struct_sheet_order.sense REMARK 960 S1 1_S1 2_S1 1 anti-parallel REMARK 960 REMARK 960 loop_ REMARK 960 _struct_sheet_range.sheet_id REMARK 960 _struct_sheet_range.id REMARK 960 _struct_sheet_range.beg_label_comp_id REMARK 960 _struct_sheet_range.beg_label_asym_id REMARK 960 _struct_sheet_range.beg_auth_seq_id REMARK 960 _struct_sheet_range.end_label_comp_id REMARK 960 _struct_sheet_range.end_label_asym_id REMARK 960 _struct_sheet_range.end_auth_seq_id REMARK 960 _struct_sheet_range.beg_label_seq_id REMARK 960 _struct_sheet_range.end_label_seq_id REMARK 960 S1 2_S1 CYS * 32 ILE * 35 REMARK 960 32 35 REMARK 960 REMARK 960 ########################## REMARK 960 # # REMARK 960 # PDBX_POLY_SEQ_SCHEME # REMARK 960 # # REMARK 960 ########################## REMARK 960 REMARK 960 loop_ REMARK 960 _pdbx_poly_seq_scheme.asym_id REMARK 960 _pdbx_poly_seq_scheme.entity_id REMARK 960 _pdbx_poly_seq_scheme.seq_id REMARK 960 _pdbx_poly_seq_scheme.mon_id REMARK 960 _pdbx_poly_seq_scheme.auth_num REMARK 960 #< not in dictionary REMARK 960 _pdbx_poly_seq_scheme.pdb_strand_id REMARK 960 * 1 2 THR 2 1_S1 REMARK 960 * 1 3 CYS 3 1_S1 REMARK 960 * 1 4 CYS 4 1_S1 REMARK 960 * 1 5 PRO 5 . REMARK 960 * 1 6 SER 6 . REMARK 960 * 1 7 ILE 7 . REMARK 960 * 1 8 VAL 8 . REMARK 960 * 1 9 ALA 9 . REMARK 960 * 1 10 ARG 10 . REMARK 960 * 1 11 SER 11 . REMARK 960 * 1 12 ASN 12 . REMARK 960 * 1 13 PHE 13 . REMARK 960 * 1 14 ASN 14 . REMARK 960 * 1 15 VAL 15 . REMARK 960 * 1 16 CYS 16 . REMARK 960 * 1 17 ARG 17 . REMARK 960 * 1 18 LEU 18 . REMARK 960 * 1 19 PRO 19 . REMARK 960 * 1 20 GLY 20 . REMARK 960 * 1 21 THR 21 . REMARK 960 * 1 22 PRO 22 . REMARK 960 * 1 23 GLU 23 . REMARK 960 * 1 24 ALA 24 . REMARK 960 * 1 25 ILE 25 . REMARK 960 * 1 26 CYS 26 . REMARK 960 * 1 27 ALA 27 . REMARK 960 * 1 28 THR 28 . REMARK 960 * 1 29 TYR 29 . REMARK 960 * 1 30 THR 30 . REMARK 960 * 1 31 GLY 31 . REMARK 960 * 1 32 CYS 32 2_S1 REMARK 960 * 1 33 ILE 33 2_S1 REMARK 960 * 1 34 ILE 34 2_S1 REMARK 960 * 1 35 ILE 35 2_S1 REMARK 960 * 1 36 PRO 36 . REMARK 960 * 1 37 GLY 37 . REMARK 960 * 1 38 ALA 38 . REMARK 960 * 1 39 THR 39 . REMARK 960 * 1 40 CYS 40 . REMARK 960 * 1 41 PRO 41 . REMARK 960 * 1 42 GLY 42 . REMARK 960 * 1 43 ASP 43 . REMARK 960 * 1 44 TYR 44 . REMARK 960 * 1 45 ALA 45 . REMARK 960 * 1 46 ASN 46 . REMARK 960 REMARK 960 REMARK 960 REMARK 960 ######################## REMARK 960 # # REMARK 960 # PUBL_MANUSCRIPT_INCL # REMARK 960 # # REMARK 960 ######################## REMARK 960 REMARK 960 REMARK 960 REMARK 960 loop_ REMARK 960 _publ_manuscript_incl.entry_id REMARK 960 _publ_manuscript_incl.extra_item REMARK 960 _publ_manuscript_incl.extra_info REMARK 960 _publ_manuscript_incl.extra_defn REMARK 960 REMARK 960 1CRN REMARK 960 '_struct_conn.pdb2cif_ptnr2_atom_site_id' REMARK 960 '_atom_site.id of partner 2 of structure connection' REMARK 960 no REMARK 960 REMARK 960 ############################################### REMARK 960 # This file was converted automatically from # REMARK 960 # PDB format to mmCIF format by the program # REMARK 960 # pdb2cif version 2.4.3 15 Jul 2005 # REMARK 960 # by # REMARK 960 # Phil Bourne, Herbert J. Bernstein and # REMARK 960 # Frances C. Bernstein # REMARK 960 # # REMARK 960 # This work was supported in part by IUCr # REMARK 960 # (for HJB), US NSF, PHS, NIH, NCRR, NIGMS, # REMARK 960 # NLM and DOE (for FCB prior to 1998), and # REMARK 960 # and NSFgrant no. BIR 9310154 (for PEB) # REMARK 960 # # REMARK 960 # # REMARK 960 # Conversion from PDB format to mmCIF is a # REMARK 960 # complex process. This file should be # REMARK 960 # reviewed carefully before use. # REMARK 960 # # REMARK 960 # Even though the authors of pdb2cif have # REMARK 960 # made a good faith effort to ensure that # REMARK 960 # pdb2cif performs according to its # REMARK 960 # documentation, and we would greatly # REMARK 960 # appreciate hearing of any problems you # REMARK 960 # may encounter, the program pdb2cif and # REMARK 960 # any files created by pdb2cif are provided # REMARK 960 # **AS IS** without any warrantee as to # REMARK 960 # correctness, merchantability or fitness # REMARK 960 # for any particular or general use. # REMARK 960 # # REMARK 960 # THE RESPONSIBILITY FOR ANY ADVERSE # REMARK 960 # CONSEQUENCES FROM THE USE OF THE PROGRAM # REMARK 960 # PDB2CIF OR ANY FILE OR FILES CREATED BY IT # REMARK 960 # LIES SOLELY WITH THE USERS OF THE PROGRAM # REMARK 960 # AND FILE OR FILES AND NOT WITH AUTHORS OF # REMARK 960 # PDB2CIF # REMARK 960 # # REMARK 960 # The program pdb2cif is available from # REMARK 960 # http://www.bernstein-plus-sons.com # REMARK 960 # /software/pdb2cif or # REMARK 960 # the IUCr and its mirrors (see # REMARK 960 # http://www.iucr.org/iucr-top/cif # REMARK 960 # /software/pdb2cif) or # REMARK 960 # SDSC (see # REMARK 960 # http://www.sdsc.edu/pb/pdb2cif/pdb2cif) or # REMARK 960 # NDB and its mirrors (see # REMARK 960 # http://ndbserver.rutgers.edu/mmcif # REMARK 960 # /software/pdb2cif) # REMARK 960 # and the NDB mirror sites # REMARK 960 # # REMARK 960 # See H. Bernstein, F. Bernstein, # REMARK 960 # P. E. Bourne CIF Applications. VIII. # REMARK 960 # pdb2cif: Translating PDB Entries into # REMARK 960 # mmCIF Format, J. Appl. Cryst., 31, # REMARK 960 # 1998, pp 282-295. # REMARK 960 # # REMARK 960 # Please report problems to: # REMARK 960 # pdb2cif@bernstein-plus-sons.com # REMARK 960 # # REMARK 960 ############################################### REMARK 960 REMARK 960 REMARK 960 REMARK 960 # REMARK records parsed = 62; REMARK 960 ## specified by PDB REMARK 960 # FTNOTE records parsed = 0; REMARK 960 ## specified by PDB REMARK 960 # HET records parsed = 0; REMARK 960 ## specified by PDB REMARK 960 # HELIX records parsed = 2; REMARK 960 ## specified by PDB REMARK 960 # SHEET records parsed = 2; REMARK 960 ## specified by PDB REMARK 960 # TURN records parsed = 1; REMARK 960 ## specified by PDB REMARK 960 # SITE records parsed = 0; REMARK 960 ## specified by PDB REMARK 960 # AT+HET records parsed = 327; REMARK 960 ## specified by PDB REMARK 960 # TER records parsed = 1; REMARK 960 ## specified by PDB REMARK 960 # CONECT records parsed = 6; REMARK 960 ## specified by PDB REMARK 960 # SEQRES records parsed = 4; REMARK 960 ## specified by PDB REMARK 960 # Total of 433 records processed from PDB file REMARK 960 #=# DATABASE_PDB_REMARK: Only text in col REMARK 960 #umns 12-70 retained REMARK 960 #=# PUBL_MANUSCRIPT_INCL: Tokens _struct_conn. REMARK 960 #=# PUBL_MANUSCRIPT_INCL: pdb2cif_ptnrn REMARK 960 #_atom_site_id used SEQRES 1 * 46 THR THR CYS CYS PRO SER ILE VAL ALA ARG SER ASN PHE SEQRES 2 * 46 ASN VAL CYS ARG LEU PRO GLY THR PRO GLU ALA ILE CYS SEQRES 3 * 46 ALA THR TYR THR GLY CYS ILE ILE ILE PRO GLY ALA THR SEQRES 4 * 46 CYS PRO GLY ASP TYR ALA ASN CRYST1 40.960 18.650 22.520 90.00 90.77 90.00 P 21 2 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.024414 0.000000 -0.000328 0.00000 SCALE2 0.000000 0.053619 0.000000 0.00000 SCALE3 0.000000 0.000000 0.044409 0.00000 ATOM 1 N THR * 1 17.047 14.099 3.625 1.00 13.79 N ATOM 2 CA THR * 1 16.967 12.784 4.338 1.00 10.80 C ATOM 3 C THR * 1 15.685 12.755 5.133 1.00 9.19 C ATOM 4 O THR * 1 15.268 13.825 5.594 1.00 9.85 O ATOM 5 CB THR * 1 18.170 12.703 5.337 1.00 13.02 C ATOM 6 OG1 THR * 1 19.334 12.829 4.463 1.00 15.06 O ATOM 7 CG2 THR * 1 18.150 11.546 6.304 1.00 14.23 C ATOM 8 N THR * 2 15.115 11.555 5.265 1.00 7.81 N ATOM 9 CA THR * 2 13.856 11.469 6.066 1.00 8.31 C ATOM 10 C THR * 2 14.164 10.785 7.379 1.00 5.80 C ATOM 11 O THR * 2 14.993 9.862 7.443 1.00 6.94 O ATOM 12 CB THR * 2 12.732 10.711 5.261 1.00 10.32 C ATOM 13 OG1 THR * 2 13.308 9.439 4.926 1.00 12.81 O ATOM 14 CG2 THR * 2 12.484 11.442 3.895 1.00 11.90 C ATOM 15 N CYS * 3 13.488 11.241 8.417 1.00 5.24 N ATOM 16 CA CYS * 3 13.660 10.707 9.787 1.00 5.39 C ATOM 17 C CYS * 3 12.269 10.431 10.323 1.00 4.45 C ATOM 18 O CYS * 3 11.393 11.308 10.185 1.00 6.54 O ATOM 19 CB CYS * 3 14.368 11.748 10.691 1.00 5.99 C ATOM 20 SG CYS * 3 15.885 12.426 10.016 1.00 7.01 S ATOM 21 N CYS * 4 12.019 9.272 10.928 1.00 3.90 N ATOM 22 CA CYS * 4 10.646 8.991 11.408 1.00 4.24 C ATOM 23 C CYS * 4 10.654 8.793 12.919 1.00 3.72 C ATOM 24 O CYS * 4 11.659 8.296 13.491 1.00 5.30 O ATOM 25 CB CYS * 4 10.057 7.752 10.682 1.00 4.41 C ATOM 26 SG CYS * 4 9.837 8.018 8.904 1.00 4.72 S ATOM 27 N PRO * 5 9.561 9.108 13.563 1.00 3.96 N ATOM 28 CA PRO * 5 9.448 9.034 15.012 1.00 4.25 C ATOM 29 C PRO * 5 9.288 7.670 15.606 1.00 4.96 C ATOM 30 O PRO * 5 9.490 7.519 16.819 1.00 7.44 O ATOM 31 CB PRO * 5 8.230 9.957 15.345 1.00 5.11 C ATOM 32 CG PRO * 5 7.338 9.786 14.114 1.00 5.24 C ATOM 33 CD PRO * 5 8.366 9.804 12.958 1.00 5.20 C ATOM 34 N SER * 6 8.875 6.686 14.796 1.00 4.83 N ATOM 35 CA SER * 6 8.673 5.314 15.279 1.00 4.45 C ATOM 36 C SER * 6 8.753 4.376 14.083 1.00 4.99 C ATOM 37 O SER * 6 8.726 4.858 12.923 1.00 4.61 O ATOM 38 CB SER * 6 7.340 5.121 15.996 1.00 5.05 C ATOM 39 OG SER * 6 6.274 5.220 15.031 1.00 6.39 O ATOM 40 N ILE * 7 8.881 3.075 14.358 1.00 4.94 N ATOM 41 CA ILE * 7 8.912 2.083 13.258 1.00 6.33 C ATOM 42 C ILE * 7 7.581 2.090 12.506 1.00 5.32 C ATOM 43 O ILE * 7 7.670 2.031 11.245 1.00 6.85 O ATOM 44 CB ILE * 7 9.207 0.677 13.924 1.00 8.43 C ATOM 45 CG1 ILE * 7 10.714 0.702 14.312 1.00 9.78 C ATOM 46 CG2 ILE * 7 8.811 -0.477 12.969 1.00 11.70 C ATOM 47 CD1 ILE * 7 11.185 -0.516 15.142 1.00 9.92 C ATOM 48 N VAL * 8 6.458 2.162 13.159 1.00 5.02 N ATOM 49 CA VAL * 8 5.145 2.209 12.453 1.00 6.93 C ATOM 50 C VAL * 8 5.115 3.379 11.461 1.00 5.39 C ATOM 51 O VAL * 8 4.664 3.268 10.343 1.00 6.30 O ATOM 52 CB VAL * 8 3.995 2.354 13.478 1.00 9.64 C ATOM 53 CG1 VAL * 8 2.716 2.891 12.869 1.00 13.85 C ATOM 54 CG2 VAL * 8 3.758 1.032 14.208 1.00 11.97 C ATOM 55 N ALA * 9 5.606 4.546 11.941 1.00 3.73 N ATOM 56 CA ALA * 9 5.598 5.767 11.082 1.00 3.56 C ATOM 57 C ALA * 9 6.441 5.527 9.850 1.00 4.13 C ATOM 58 O ALA * 9 6.052 5.933 8.744 1.00 4.36 O ATOM 59 CB ALA * 9 6.022 6.977 11.891 1.00 4.80 C ATOM 60 N ARG * 10 7.647 4.909 10.005 1.00 3.73 N ATOM 61 CA ARG * 10 8.496 4.609 8.837 1.00 3.38 C ATOM 62 C ARG * 10 7.798 3.609 7.876 1.00 3.47 C ATOM 63 O ARG * 10 7.878 3.778 6.651 1.00 4.67 O ATOM 64 CB ARG * 10 9.847 4.020 9.305 1.00 3.95 C ATOM 65 CG ARG * 10 10.752 3.607 8.149 1.00 4.55 C ATOM 66 CD ARG * 10 11.226 4.699 7.244 1.00 5.89 C ATOM 67 NE ARG * 10 12.143 5.571 8.035 1.00 6.20 N ATOM 68 CZ ARG * 10 12.758 6.609 7.443 1.00 7.52 C ATOM 69 NH1 ARG * 10 12.539 6.932 6.158 1.00 10.68 N ATOM 70 NH2 ARG * 10 13.601 7.322 8.202 1.00 9.48 N ATOM 71 N SER * 11 7.186 2.582 8.445 1.00 5.19 N ATOM 72 CA SER * 11 6.500 1.584 7.565 1.00 4.60 C ATOM 73 C SER * 11 5.382 2.313 6.773 1.00 4.84 C ATOM 74 O SER * 11 5.213 2.016 5.557 1.00 5.84 O ATOM 75 CB SER * 11 5.908 0.462 8.400 1.00 5.91 C ATOM 76 OG SER * 11 6.990 -0.272 9.012 1.00 8.38 O ATOM 77 N ASN * 12 4.648 3.182 7.446 1.00 3.54 N ATOM 78 CA ASN * 12 3.545 3.935 6.751 1.00 4.57 C ATOM 79 C ASN * 12 4.107 4.851 5.691 1.00 4.14 C ATOM 80 O ASN * 12 3.536 5.001 4.617 1.00 5.52 O ATOM 81 CB ASN * 12 2.663 4.677 7.748 1.00 6.42 C ATOM 82 CG ASN * 12 1.802 3.735 8.610 1.00 8.25 C ATOM 83 OD1 ASN * 12 1.567 2.613 8.165 1.00 12.72 O ATOM 84 ND2 ASN * 12 1.394 4.252 9.767 1.00 9.92 N ATOM 85 N PHE * 13 5.259 5.498 6.005 1.00 3.43 N ATOM 86 CA PHE * 13 5.929 6.358 5.055 1.00 3.49 C ATOM 87 C PHE * 13 6.304 5.578 3.799 1.00 3.40 C ATOM 88 O PHE * 13 6.136 6.072 2.653 1.00 4.07 O ATOM 89 CB PHE * 13 7.183 6.994 5.754 1.00 5.48 C ATOM 90 CG PHE * 13 7.884 8.006 4.883 1.00 5.57 C ATOM 91 CD1 PHE * 13 8.906 7.586 4.027 1.00 6.99 C ATOM 92 CD2 PHE * 13 7.532 9.373 4.983 1.00 6.52 C ATOM 93 CE1 PHE * 13 9.560 8.539 3.194 1.00 8.20 C ATOM 94 CE2 PHE * 13 8.176 10.281 4.145 1.00 6.34 C ATOM 95 CZ PHE * 13 9.141 9.845 3.292 1.00 6.84 C ATOM 96 N ASN * 14 6.900 4.390 3.989 1.00 3.64 N ATOM 97 CA ASN * 14 7.331 3.607 2.791 1.00 4.31 C ATOM 98 C ASN * 14 6.116 3.210 1.915 1.00 3.98 C ATOM 99 O ASN * 14 6.240 3.144 0.684 1.00 6.22 O ATOM 100 CB ASN * 14 8.145 2.404 3.240 1.00 5.81 C ATOM 101 CG ASN * 14 9.555 2.856 3.730 1.00 6.82 C ATOM 102 OD1 ASN * 14 10.013 3.895 3.323 1.00 9.43 O ATOM 103 ND2 ASN * 14 10.120 1.956 4.539 1.00 8.21 N ATOM 104 N VAL * 15 4.993 2.927 2.571 1.00 3.76 N ATOM 105 CA VAL * 15 3.782 2.599 1.742 1.00 3.98 C ATOM 106 C VAL * 15 3.296 3.871 1.004 1.00 3.80 C ATOM 107 O VAL * 15 2.947 3.817 -0.189 1.00 4.85 O ATOM 108 CB VAL * 15 2.698 1.953 2.608 1.00 4.71 C ATOM 109 CG1 VAL * 15 1.384 1.826 1.806 1.00 6.67 C ATOM 110 CG2 VAL * 15 3.174 0.533 3.005 1.00 6.26 C ATOM 111 N CYS * 16 3.321 4.987 1.720 1.00 3.79 N ATOM 112 CA CYS * 16 2.890 6.285 1.126 1.00 3.54 C ATOM 113 C CYS * 16 3.687 6.597 -0.111 1.00 3.48 C ATOM 114 O CYS * 16 3.200 7.147 -1.103 1.00 4.63 O ATOM 115 CB CYS * 16 3.039 7.369 2.240 1.00 4.58 C ATOM 116 SG CYS * 16 2.559 9.014 1.649 1.00 5.66 S ATOM 117 N ARG * 17 4.997 6.227 -0.100 1.00 3.99 N ATOM 118 CA ARG * 17 5.895 6.489 -1.213 1.00 3.83 C ATOM 119 C ARG * 17 5.738 5.560 -2.409 1.00 3.79 C ATOM 120 O ARG * 17 6.228 5.901 -3.507 1.00 5.39 O ATOM 121 CB ARG * 17 7.370 6.507 -0.731 1.00 4.11 C ATOM 122 CG ARG * 17 7.717 7.687 0.206 1.00 4.69 C ATOM 123 CD ARG * 17 7.949 8.947 -0.615 1.00 5.10 C ATOM 124 NE ARG * 17 9.212 8.856 -1.337 1.00 4.71 N ATOM 125 CZ ARG * 17 9.537 9.533 -2.431 1.00 5.28 C ATOM 126 NH1 ARG * 17 8.659 10.350 -3.032 1.00 6.67 N ATOM 127 NH2 ARG * 17 10.793 9.491 -2.899 1.00 6.41 N ATOM 128 N LEU * 18 5.051 4.411 -2.204 1.00 4.70 N ATOM 129 CA LEU * 18 4.933 3.431 -3.326 1.00 5.46 C ATOM 130 C LEU * 18 4.397 4.014 -4.620 1.00 5.13 C ATOM 131 O LEU * 18 4.988 3.755 -5.687 1.00 5.55 O ATOM 132 CB LEU * 18 4.196 2.184 -2.863 1.00 6.47 C ATOM 133 CG LEU * 18 4.960 1.178 -1.991 1.00 7.43 C ATOM 134 CD1 LEU * 18 3.907 0.097 -1.634 1.00 8.70 C ATOM 135 CD2 LEU * 18 6.129 0.606 -2.768 1.00 9.39 C ATOM 136 N PRO * 19 3.329 4.795 -4.543 1.00 4.28 N ATOM 137 CA PRO * 19 2.792 5.376 -5.797 1.00 5.38 C ATOM 138 C PRO * 19 3.573 6.540 -6.322 1.00 6.30 C ATOM 139 O PRO * 19 3.260 7.045 -7.422 1.00 9.62 O ATOM 140 CB PRO * 19 1.358 5.766 -5.472 1.00 5.87 C ATOM 141 CG PRO * 19 1.223 5.694 -3.993 1.00 6.47 C ATOM 142 CD PRO * 19 2.421 4.941 -3.408 1.00 6.45 C ATOM 143 N GLY * 20 4.565 7.047 -5.559 1.00 4.94 N ATOM 144 CA GLY * 20 5.366 8.191 -6.018 1.00 5.39 C ATOM 145 C GLY * 20 5.007 9.481 -5.280 1.00 5.03 C ATOM 146 O GLY * 20 5.535 10.510 -5.730 1.00 7.34 O ATOM 147 N THR * 21 4.181 9.438 -4.262 1.00 4.10 N ATOM 148 CA THR * 21 3.767 10.609 -3.513 1.00 3.94 C ATOM 149 C THR * 21 5.017 11.397 -3.042 1.00 3.96 C ATOM 150 O THR * 21 5.947 10.757 -2.523 1.00 5.82 O ATOM 151 CB THR * 21 2.992 10.188 -2.225 1.00 4.13 C ATOM 152 OG1 THR * 21 2.051 9.144 -2.623 1.00 5.45 O ATOM 153 CG2 THR * 21 2.260 11.349 -1.551 1.00 5.41 C ATOM 154 N PRO * 22 4.971 12.703 -3.176 1.00 5.04 N ATOM 155 CA PRO * 22 6.143 13.513 -2.696 1.00 4.69 C ATOM 156 C PRO * 22 6.400 13.233 -1.225 1.00 4.19 C ATOM 157 O PRO * 22 5.485 13.061 -0.382 1.00 4.47 O ATOM 158 CB PRO * 22 5.703 14.969 -2.920 1.00 7.12 C ATOM 159 CG PRO * 22 4.676 14.893 -3.996 1.00 7.03 C ATOM 160 CD PRO * 22 3.964 13.567 -3.811 1.00 4.90 C ATOM 161 N GLU * 23 7.728 13.297 -0.921 1.00 5.16 N ATOM 162 CA GLU * 23 8.114 13.103 0.500 1.00 5.31 C ATOM 163 C GLU * 23 7.427 14.073 1.410 1.00 4.11 C ATOM 164 O GLU * 23 7.036 13.682 2.540 1.00 5.11 O ATOM 165 CB GLU * 23 9.648 13.285 0.660 1.00 6.16 C ATOM 166 CG GLU * 23 10.440 12.093 0.063 1.00 7.48 C ATOM 167 CD GLU * 23 11.941 12.170 0.391 1.00 9.40 C ATOM 168 OE1 GLU * 23 12.416 13.225 0.681 1.00 10.40 O ATOM 169 OE2 GLU * 23 12.539 11.070 0.292 1.00 13.32 O ATOM 170 N ALA * 24 7.212 15.334 0.966 1.00 4.56 N ATOM 171 CA ALA * 24 6.614 16.317 1.913 1.00 4.49 C ATOM 172 C ALA * 24 5.212 15.936 2.350 1.00 4.10 C ATOM 173 O ALA * 24 4.782 16.166 3.495 1.00 5.64 O ATOM 174 CB ALA * 24 6.605 17.695 1.246 1.00 5.80 C ATOM 175 N ILE * 25 4.445 15.318 1.405 1.00 4.37 N ATOM 176 CA ILE * 25 3.074 14.894 1.756 1.00 5.44 C ATOM 177 C ILE * 25 3.085 13.643 2.645 1.00 4.32 C ATOM 178 O ILE * 25 2.315 13.523 3.578 1.00 4.72 O ATOM 179 CB ILE * 25 2.204 14.637 0.462 1.00 6.42 C ATOM 180 CG1 ILE * 25 1.815 16.048 -0.129 1.00 7.50 C ATOM 181 CG2 ILE * 25 0.903 13.864 0.811 1.00 7.65 C ATOM 182 CD1 ILE * 25 0.756 16.761 0.757 1.00 7.80 C ATOM 183 N CYS * 26 4.032 12.764 2.313 1.00 3.92 N ATOM 184 CA CYS * 26 4.180 11.549 3.187 1.00 4.37 C ATOM 185 C CYS * 26 4.632 11.944 4.596 1.00 3.95 C ATOM 186 O CYS * 26 4.227 11.252 5.547 1.00 4.74 O ATOM 187 CB CYS * 26 5.038 10.518 2.539 1.00 4.63 C ATOM 188 SG CYS * 26 4.349 9.794 1.022 1.00 5.61 S ATOM 189 N ALA * 27 5.408 13.012 4.694 1.00 3.89 N ATOM 190 CA ALA * 27 5.879 13.502 6.026 1.00 4.43 C ATOM 191 C ALA * 27 4.696 13.908 6.882 1.00 4.26 C ATOM 192 O ALA * 27 4.528 13.422 8.025 1.00 5.44 O ATOM 193 CB ALA * 27 6.880 14.615 5.830 1.00 5.36 C ATOM 194 N THR * 28 3.827 14.802 6.358 1.00 4.53 N ATOM 195 CA THR * 28 2.691 15.221 7.194 1.00 5.08 C ATOM 196 C THR * 28 1.672 14.132 7.434 1.00 4.62 C ATOM 197 O THR * 28 0.947 14.112 8.468 1.00 7.80 O ATOM 198 CB THR * 28 1.986 16.520 6.614 1.00 6.03 C ATOM 199 OG1 THR * 28 1.664 16.221 5.230 1.00 7.19 O ATOM 200 CG2 THR * 28 2.914 17.739 6.700 1.00 7.34 C ATOM 201 N TYR * 29 1.621 13.190 6.511 1.00 5.01 N ATOM 202 CA TYR * 29 0.715 12.045 6.657 1.00 6.60 C ATOM 203 C TYR * 29 1.125 11.125 7.815 1.00 4.92 C ATOM 204 O TYR * 29 0.286 10.632 8.545 1.00 7.13 O ATOM 205 CB TYR * 29 0.755 11.229 5.322 1.00 9.66 C ATOM 206 CG TYR * 29 -0.203 10.044 5.354 1.00 11.56 C ATOM 207 CD1 TYR * 29 -1.547 10.337 5.645 1.00 12.85 C ATOM 208 CD2 TYR * 29 0.193 8.750 5.100 1.00 14.44 C ATOM 209 CE1 TYR * 29 -2.496 9.329 5.673 1.00 16.61 C ATOM 210 CE2 TYR * 29 -0.801 7.705 5.156 1.00 17.11 C ATOM 211 CZ TYR * 29 -2.079 8.031 5.430 1.00 19.99 C ATOM 212 OH TYR * 29 -3.097 7.057 5.458 1.00 28.98 O ATOM 213 N THR * 30 2.470 10.984 7.995 1.00 5.31 N ATOM 214 CA THR * 30 2.986 9.994 8.950 1.00 5.70 C ATOM 215 C THR * 30 3.609 10.505 10.230 1.00 6.28 C ATOM 216 O THR * 30 3.766 9.715 11.186 1.00 8.77 O ATOM 217 CB THR * 30 4.076 9.103 8.225 1.00 6.55 C ATOM 218 OG1 THR * 30 5.125 10.027 7.824 1.00 6.57 O ATOM 219 CG2 THR * 30 3.493 8.324 7.035 1.00 7.29 C ATOM 220 N GLY * 31 3.984 11.764 10.241 1.00 4.99 N ATOM 221 CA GLY * 31 4.769 12.336 11.360 1.00 5.50 C ATOM 222 C GLY * 31 6.255 12.243 11.106 1.00 4.19 C ATOM 223 O GLY * 31 7.037 12.750 11.954 1.00 6.12 O ATOM 224 N CYS * 32 6.710 11.631 9.992 1.00 4.30 N ATOM 225 CA CYS * 32 8.140 11.694 9.635 1.00 4.89 C ATOM 226 C CYS * 32 8.500 13.141 9.206 1.00 5.50 C ATOM 227 O CYS * 32 7.581 13.949 8.944 1.00 5.82 O ATOM 228 CB CYS * 32 8.504 10.686 8.530 1.00 4.66 C ATOM 229 SG CYS * 32 8.048 8.987 8.881 1.00 5.33 S ATOM 230 N ILE * 33 9.793 13.410 9.173 1.00 6.02 N ATOM 231 CA ILE * 33 10.280 14.760 8.823 1.00 5.24 C ATOM 232 C ILE * 33 11.346 14.658 7.743 1.00 5.16 C ATOM 233 O ILE * 33 11.971 13.583 7.552 1.00 7.19 O ATOM 234 CB ILE * 33 10.790 15.535 10.085 1.00 5.49 C ATOM 235 CG1 ILE * 33 12.059 14.803 10.671 1.00 6.85 C ATOM 236 CG2 ILE * 33 9.684 15.686 11.138 1.00 6.45 C ATOM 237 CD1 ILE * 33 12.733 15.676 11.781 1.00 8.94 C ATOM 238 N ILE * 34 11.490 15.773 7.038 1.00 5.52 N ATOM 239 CA ILE * 34 12.552 15.877 6.036 1.00 6.82 C ATOM 240 C ILE * 34 13.590 16.917 6.560 1.00 6.92 C ATOM 241 O ILE * 34 13.168 18.006 6.945 1.00 9.22 O ATOM 242 CB ILE * 34 11.987 16.360 4.681 1.00 8.11 C ATOM 243 CG1 ILE * 34 10.914 15.338 4.163 1.00 9.59 C ATOM 244 CG2 ILE * 34 13.131 16.517 3.629 1.00 9.73 C ATOM 245 CD1 ILE * 34 10.151 16.024 2.938 1.00 13.41 C ATOM 246 N ILE * 35 14.856 16.493 6.536 1.00 7.06 N ATOM 247 CA ILE * 35 15.930 17.454 6.941 1.00 7.52 C ATOM 248 C ILE * 35 16.913 17.550 5.819 1.00 6.63 C ATOM 249 O ILE * 35 17.097 16.660 4.970 1.00 7.90 O ATOM 250 CB ILE * 35 16.622 16.995 8.285 1.00 8.07 C ATOM 251 CG1 ILE * 35 17.360 15.651 8.067 1.00 9.41 C ATOM 252 CG2 ILE * 35 15.592 16.974 9.434 1.00 9.46 C ATOM 253 CD1 ILE * 35 18.298 15.206 9.219 1.00 9.85 C ATOM 254 N PRO * 36 17.664 18.669 5.806 1.00 8.07 N ATOM 255 CA PRO * 36 18.635 18.861 4.738 1.00 8.78 C ATOM 256 C PRO * 36 19.925 18.042 4.949 1.00 8.31 C ATOM 257 O PRO * 36 20.593 17.742 3.945 1.00 9.09 O ATOM 258 CB PRO * 36 18.945 20.364 4.783 1.00 9.67 C ATOM 259 CG PRO * 36 18.238 20.937 5.908 1.00 10.15 C ATOM 260 CD PRO * 36 17.371 19.900 6.596 1.00 9.53 C ATOM 261 N GLY * 37 20.172 17.730 6.217 1.00 8.48 N ATOM 262 CA GLY * 37 21.452 16.969 6.513 1.00 9.20 C ATOM 263 C GLY * 37 21.143 15.478 6.427 1.00 10.41 C ATOM 264 O GLY * 37 20.138 15.023 5.878 1.00 12.06 O ATOM 265 N ALA * 38 22.055 14.701 7.032 1.00 9.24 N ATOM 266 CA ALA * 38 22.019 13.242 7.020 1.00 9.24 C ATOM 267 C ALA * 38 21.944 12.628 8.396 1.00 9.60 C ATOM 268 O ALA * 38 21.869 11.387 8.435 1.00 13.65 O ATOM 269 CB ALA * 38 23.246 12.697 6.275 1.00 10.43 C ATOM 270 N THR * 39 21.894 13.435 9.436 1.00 8.70 N ATOM 271 CA THR * 39 21.936 12.911 10.809 1.00 9.46 C ATOM 272 C THR * 39 20.615 13.191 11.521 1.00 8.32 C ATOM 273 O THR * 39 20.357 14.317 11.948 1.00 9.89 O ATOM 274 CB THR * 39 23.131 13.601 11.593 1.00 10.72 C ATOM 275 OG1 THR * 39 24.284 13.401 10.709 1.00 11.66 O ATOM 276 CG2 THR * 39 23.340 12.935 12.962 1.00 11.81 C ATOM 277 N CYS * 40 19.827 12.110 11.642 1.00 7.64 N ATOM 278 CA CYS * 40 18.504 12.312 12.298 1.00 8.05 C ATOM 279 C CYS * 40 18.684 12.451 13.784 1.00 7.63 C ATOM 280 O CYS * 40 19.533 11.718 14.362 1.00 9.64 O ATOM 281 CB CYS * 40 17.582 11.117 11.996 1.00 7.80 C ATOM 282 SG CYS * 40 17.199 10.929 10.237 1.00 7.30 S ATOM 283 N PRO * 41 17.880 13.266 14.426 1.00 8.00 N ATOM 284 CA PRO * 41 17.924 13.421 15.877 1.00 8.96 C ATOM 285 C PRO * 41 17.392 12.206 16.594 1.00 9.06 C ATOM 286 O PRO * 41 16.652 11.368 16.033 1.00 8.82 O ATOM 287 CB PRO * 41 17.076 14.658 16.145 1.00 10.39 C ATOM 288 CG PRO * 41 16.098 14.689 14.997 1.00 10.99 C ATOM 289 CD PRO * 41 16.859 14.150 13.779 1.00 10.49 C ATOM 290 N GLY * 42 17.728 12.124 17.884 1.00 7.55 N ATOM 291 CA GLY * 42 17.334 10.956 18.691 1.00 8.00 C ATOM 292 C GLY * 42 15.875 10.688 18.871 1.00 7.22 C ATOM 293 O GLY * 42 15.434 9.550 19.166 1.00 8.41 O ATOM 294 N ASP * 43 15.036 11.747 18.715 1.00 5.54 N ATOM 295 CA ASP * 43 13.564 11.573 18.836 1.00 5.85 C ATOM 296 C ASP * 43 12.936 11.227 17.470 1.00 5.87 C ATOM 297 O ASP * 43 11.720 11.040 17.428 1.00 7.29 O ATOM 298 CB ASP * 43 12.933 12.737 19.580 1.00 6.72 C ATOM 299 CG ASP * 43 13.140 14.094 18.958 1.00 8.59 C ATOM 300 OD1 ASP * 43 14.109 14.303 18.212 1.00 9.59 O ATOM 301 OD2 ASP * 43 12.267 14.963 19.265 1.00 11.45 O ATOM 302 N TYR * 44 13.725 11.174 16.425 1.00 5.22 N ATOM 303 CA TYR * 44 13.257 10.745 15.081 1.00 5.56 C ATOM 304 C TYR * 44 14.275 9.687 14.612 1.00 4.61 C ATOM 305 O TYR * 44 14.930 9.862 13.568 1.00 6.04 O ATOM 306 CB TYR * 44 13.200 11.914 14.071 1.00 5.41 C ATOM 307 CG TYR * 44 12.000 12.819 14.399 1.00 5.34 C ATOM 308 CD1 TYR * 44 12.119 13.853 15.332 1.00 6.59 C ATOM 309 CD2 TYR * 44 10.775 12.617 13.762 1.00 5.94 C ATOM 310 CE1 TYR * 44 11.045 14.675 15.610 1.00 5.97 C ATOM 311 CE2 TYR * 44 9.676 13.433 14.048 1.00 5.17 C ATOM 312 CZ TYR * 44 9.802 14.456 14.996 1.00 5.96 C ATOM 313 OH TYR * 44 8.740 15.265 15.269 1.00 8.60 O ATOM 314 N ALA * 45 14.342 8.640 15.422 1.00 4.76 N ATOM 315 CA ALA * 45 15.445 7.667 15.246 1.00 5.89 C ATOM 316 C ALA * 45 15.171 6.533 14.280 1.00 6.67 C ATOM 317 O ALA * 45 16.093 5.705 14.039 1.00 7.56 O ATOM 318 CB ALA * 45 15.680 7.099 16.682 1.00 6.82 C ATOM 319 N ASN * 46 13.966 6.502 13.739 1.00 5.80 N ATOM 320 CA ASN * 46 13.512 5.395 12.878 1.00 6.15 C ATOM 321 C ASN * 46 13.311 5.853 11.455 1.00 6.61 C ATOM 322 O ASN * 46 13.733 6.929 11.026 1.00 7.18 O ATOM 323 CB ASN * 46 12.266 4.769 13.501 1.00 7.27 C ATOM 324 CG ASN * 46 12.538 4.304 14.922 1.00 7.98 C ATOM 325 OD1 ASN * 46 11.982 4.849 15.886 1.00 11.00 O ATOM 326 ND2 ASN * 46 13.407 3.298 15.015 1.00 10.32 N ATOM 327 OXT ASN * 46 12.703 4.973 10.746 1.00 7.86 O MASTER 557 0 0 0 0 0 0 6 327 0 0 1 END