data_1ACX
# 
_entry.id   1ACX 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.398 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   1ACX         pdb_00001acx 10.2210/pdb1acx/pdb 
WWPDB D_1000170663 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 1983-03-09 
2 'Structure model' 1 1 2008-03-24 
3 'Structure model' 1 2 2011-07-13 
4 'Structure model' 1 3 2017-11-29 
5 'Structure model' 1 4 2024-11-13 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Version format compliance' 
2 3 'Structure model' 'Version format compliance' 
3 4 'Structure model' 'Derived calculations'      
4 4 'Structure model' Other                       
5 5 'Structure model' 'Data collection'           
6 5 'Structure model' 'Database references'       
7 5 'Structure model' 'Structure summary'         
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 4 'Structure model' pdbx_database_status      
2 4 'Structure model' struct_conf               
3 5 'Structure model' chem_comp_atom            
4 5 'Structure model' chem_comp_bond            
5 5 'Structure model' database_2                
6 5 'Structure model' pdbx_entry_details        
7 5 'Structure model' pdbx_modification_feature 
8 5 'Structure model' struct_ref_seq_dif        
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 4 'Structure model' '_pdbx_database_status.process_site'           
2 5 'Structure model' '_database_2.pdbx_DOI'                         
3 5 'Structure model' '_database_2.pdbx_database_accession'          
4 5 'Structure model' '_pdbx_entry_details.has_protein_modification' 
5 5 'Structure model' '_struct_ref_seq_dif.details'                  
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        1ACX 
_pdbx_database_status.recvd_initial_deposition_date   1982-12-17 
_pdbx_database_status.deposit_site                    ? 
_pdbx_database_status.process_site                    BNL 
_pdbx_database_status.SG_entry                        . 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_sf                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.status_code_nmr_data            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Pletnev, V.Z.' 1 
'Kuzin, A.P.'   2 
# 
loop_
_citation.id 
_citation.title 
_citation.journal_abbrev 
_citation.journal_volume 
_citation.page_first 
_citation.page_last 
_citation.year 
_citation.journal_id_ASTM 
_citation.country 
_citation.journal_id_ISSN 
_citation.journal_id_CSD 
_citation.book_publisher 
_citation.pdbx_database_id_PubMed 
_citation.pdbx_database_id_DOI 
primary 'Actinoxanthin Structure at the Atomic Level (Russian)' Bioorg.Khim.                          8  1637 ? 1982 BIKHD7 UR 
0132-3423     0364 ?                                       -1 ? 
1       'X-Ray Investigation of Three Dimensional Structure of Actinoxanthin' 'Chemistry of Peptides and Proteins'  1  429  ? 1982 
?      ?  3-11-008604-2 0990 'Walter De Gruyter and Company, Berlin' ?  ? 
2       'Three-Dimensional Structure of Actinoxanthin. Iv. A 2.5-Angstroms Resolution' Biopolymers                           21 
287  ? 1982 BIPMAA US 0006-3525     0161 ?                                       ?  ? 
3       'Three-Dimensional Structure of Actinoxanthin. III. A 4-Angstroms Resolution' Biopolymers                           20 679 
? 1981 BIPMAA US 0006-3525     0161 ?                                       ?  ? 
4       'X-Ray Diffraction Studies of Actinoxanthine at High Resolution (Russian)' Kristallografiya                      26 1046 ? 
1981 KRISAJ UR 0023-4761     0041 ?                                       ?  ? 
5       'High Resolution X-Ray Structural Investigation of Actinoxanthin' 'Sov.Phys.Crystallogr.(Engl.Transl.)' 26 596  ? 1982 
SPHCA6 US 0038-5638     0902 ?                                       ?  ? 
6       'Effect of Actinoxanthine, an Antitumor Antibiotic on Cells Cultivated in Vitro' 'Antibiotiki(Moscow)'                 26 
915  ? 1981 ANTBAL UR 0003-5637     0941 ?                                       ?  ? 
7       'Actinoxanthine Structure in Crystal and Aqueous Solution (Russian)' Bioorg.Khim.                          7  832  ? 1981 
BIKHD7 UR 0132-3423     0364 ?                                       ?  ? 
8       
;Three Dimensional Structure of Actinoxanthin. II. The Location of Heavy Atom Sites in Isomorphous Derivatives by X-Ray Direct Methods (Russian)
;
Bioorg.Khim.                          6  563  ? 1980 BIKHD7 UR 0132-3423     0364 ?                                       ?  ? 
9       
'The Spatial Structure of Actinoxanthin. II. Localization of the Heavy Atoms in Isomorphic Derivatives by Direct X-Ray Methods' 
'Sov.J.Bioorg.Chem.(Engl.Transl.)'    6  278  ? 1981 SJBCD5 US 0360-4497     0950 ?                                       ?  ? 
10      'Three-Dimensional Structure of Actinoxanthine at 2.8 Angstroms Resolution (Russian)' Bioorg.Khim. 6  1420 ? 1980 BIKHD7 
UR 0132-3423     0364 ?                                       ?  ? 
11      'Three-Dimensional Structure of Actinoxanthine. I. Crystallization and Preliminary X-Ray Data (Russian)' Bioorg.Khim. 5  
1605 ? 1979 BIKHD7 UR 0132-3423     0364 ?                                       ?  ? 
12      'Three-Dimensional Structure of Actinoxanthin. I. Crystallization and Preliminary X-Ray Structural Results' 
'Sov.J.Bioorg.Chem.(Engl.Transl.)'    5  1183 ? 1980 SJBCD5 US 0360-4497     0950 ?                                       ?  ? 
13      'Chemical Studies on Actinoxanthin' J.Antibiot.                           29 1026 ? 1976 JANTAJ JA 0021-8820     0079 ? ?  
? 
14      'Actinoxanthin. Vii. Location of Disulfide Bonds in Actinoxanthin (Russian)' Bioorg.Khim.                          2  506  
? 1976 BIKHD7 UR 0132-3423     0364 ?                                       ?  ? 
15      'Actinoxanthin. Vii. Determination of the Positions of the Disulfide Bonds' 'Sov.J.Bioorg.Chem.(Engl.Transl.)'    2  366  
? 1976 SJBCD5 US 0360-4497     0950 ?                                       ?  ? 
16      'Actinoxanthin. Vi. Tryptic Peptides and Amino Acid Sequence of Actinoxanthin (Russian)' Bioorg.Khim. 1  1147 ? 1975 
BIKHD7 UR 0132-3423     0364 ?                                       ?  ? 
17      'Actinoxanthin. Vi. Peptides of Tryptic Hydrolysis. Amino-Acid Sequence of Actinoxanthin' 
'Sov.J.Bioorg.Chem.(Engl.Transl.)'    1  799  ? 1976 SJBCD5 US 0360-4497     0950 ?                                       ?  ? 
18      'Actinoxanthin. V. Thermolytic Peptides of Actinoxanthin (Russian)' Bioorg.Khim.                          1  940  ? 1975 
BIKHD7 UR 0132-3423     0364 ?                                       ?  ? 
19      'Actinoxanthin. V. The Peptides of a Thermolysin Hydrolyzate of Actinoxanthin' 'Sov.J.Bioorg.Chem.(Engl.Transl.)'    1  
720  ? 1976 SJBCD5 US 0360-4497     0950 ?                                       ?  ? 
20      'Actinovanthin. Iv. Chymotryptic Peptides of Actinoxanthin (Russian)' Bioorg.Khim.                          1  928  ? 1975 
BIKHD7 UR 0132-3423     0364 ?                                       ?  ? 
21      'Actinoxanthin. Iv. Peptides of a Chymotryptic Hydrolysate of Actinoxanthin' 'Sov.J.Bioorg.Chem.(Engl.Transl.)'    1  709  
? 1976 SJBCD5 US 0360-4497     0950 ?                                       ?  ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Pletnev, V.Z.'      1  ? 
primary 'Kuzin, A.P.'        2  ? 
primary 'Malinina, L.V.'     3  ? 
1       'Pletnev, V.'        4  ? 
1       'Kuzin, A.'          5  ? 
1       'Trakhanov, S.'      6  ? 
1       'Popovich, V.'       7  ? 
1       'Tsigannik, I.'      8  ? 
2       'Pletnev, V.Z.'      9  ? 
2       'Kuzin, A.P.'        10 ? 
2       'Trakhanov, S.D.'    11 ? 
2       'Kostetsky, P.V.'    12 ? 
3       'Pletnev, V.Z.'      13 ? 
3       'Kuzin, A.P.'        14 ? 
3       'Trakhanov, S.D.'    15 ? 
3       'Kostetsky, P.V.'    16 ? 
3       'Popovich, V.A.'     17 ? 
3       'Tsigannik, I.N.'    18 ? 
4       'Pletnev, V.Z.'      19 ? 
4       'Kuzin, A.P.'        20 ? 
4       'Trakhanov, S.D.'    21 ? 
4       'Khokhlov, A.S.'     22 ? 
4       'Ovchinnikov, Yu.A.' 23 ? 
5       'Pletnev, V.Z.'      24 ? 
5       'Kuzin, A.P.'        25 ? 
5       'Trakhanov, S.D.'    26 ? 
5       'Khokhlov, A.S.'     27 ? 
5       'Ovchinnikov, Yu.A.' 28 ? 
6       'Borodina, V.M.'     29 ? 
6       'Kiryanova, E.A.'    30 ? 
6       'Zelenin, A.V.'      31 ? 
6       'Reshetov, P.D.'     32 ? 
6       'Chupova, L.A.'      33 ? 
7       'Nabiev, I.R.'       34 ? 
7       'Trakhanov, S.D.'    35 ? 
7       'Pletnev, V.Z.'      36 ? 
7       'Efremov, E.S.'      37 ? 
8       'Pletnev, V.Z.'      38 ? 
8       'Kuzin, A.P.'        39 ? 
8       'Trakhanov, S.D.'    40 ? 
8       'Popovich, V.A.'     41 ? 
8       'Tsigannik, I.N.'    42 ? 
9       'Pletnev, V.Z.'      43 ? 
9       'Kuzin, A.P.'        44 ? 
9       'Trakhanov, S.D.'    45 ? 
9       'Popovich, V.A.'     46 ? 
9       'Tsygannik, I.N.'    47 ? 
10      'Pletnev, V.Z.'      48 ? 
10      'Kuzin, A.P.'        49 ? 
10      'Trakhanov, S.D.'    50 ? 
11      'Pletnev, V.Z.'      51 ? 
11      'Trakhanov, S.D.'    52 ? 
11      'Tsigannik, I.N.'    53 ? 
12      'Pletnev, V.Z.'      54 ? 
12      'Trakhanov, S.D.'    55 ? 
12      'Tsygannik, I.N.'    56 ? 
13      'Khokhlov, A.S.'     57 ? 
13      'Reshetov, P.D.'     58 ? 
13      'Chupova, L.A.'      59 ? 
13      'Cherches, B.Z.'     60 ? 
13      'Zhigis, L.S.'       61 ? 
13      'Stoyachenko, I.A.'  62 ? 
14      'Zhigis, L.S.'       63 ? 
14      'Stoyachenko, I.A.'  64 ? 
14      'Cherches, B.Z.'     65 ? 
14      'Reshetov, P.D.'     66 ? 
14      'Khokhlov, A.S.'     67 ? 
15      'Zhigis, L.S.'       68 ? 
15      'Stoyachenko, I.A.'  69 ? 
15      'Cherches, B.Z.'     70 ? 
15      'Reshetov, P.D.'     71 ? 
15      'Khokhlov, A.S.'     72 ? 
16      'Cherches, B.Z.'     73 ? 
16      'Reshetov, P.D.'     74 ? 
16      'Gjigis, L.S.'       75 ? 
16      'Stoyachenko, I.A.'  76 ? 
16      'Chupova, L.A.'      77 ? 
16      'Khokhlov, A.S.'     78 ? 
17      'Cherches, B.Z.'     79 ? 
17      'Reshetov, P.D.'     80 ? 
17      'Zhigis, L.S.'       81 ? 
17      'Stoyachenko, I.A.'  82 ? 
17      'Chupova, L.A.'      83 ? 
17      'Khokhlov, A.S.'     84 ? 
18      'Reshetov, P.D.'     85 ? 
18      'Gjigis, L.S.'       86 ? 
18      'Stoyachenko, I.A.'  87 ? 
18      'Khokhlov, A.S.'     88 ? 
19      'Reshetov, P.D.'     89 ? 
19      'Zhigis, L.S.'       90 ? 
19      'Stoyachenko, I.A.'  91 ? 
19      'Khokhlov, A.S.'     92 ? 
20      'Chupova, L.A.'      93 ? 
20      'Reshetov, P.D.'     94 ? 
20      'Khokhlov, A.S.'     95 ? 
21      'Chupova, L.A.'      96 ? 
21      'Reshetov, P.D.'     97 ? 
21      'Khokhlov, A.S.'     98 ? 
# 
loop_
_citation_editor.citation_id 
_citation_editor.name 
_citation_editor.ordinal 
1 'Voelter, W.'     1 
1 'Wuensch, E.'     2 
1 'Ovchinnikov, J.' 3 
1 'Ivanov, V.'      4 
# 
_entity.id                         1 
_entity.type                       polymer 
_entity.src_method                 man 
_entity.pdbx_description           ACTINOXANTHIN 
_entity.formula_weight             10332.118 
_entity.pdbx_number_of_molecules   1 
_entity.pdbx_ec                    ? 
_entity.pdbx_mutation              ? 
_entity.pdbx_fragment              ? 
_entity.details                    ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;APAFSVSPASGASDGQSVSVSVAAAGETYYIAQCAPVGGQDACNPATATSFTTDASGAASFSFTVRKSYAGQTPSGTPVG
SVDCATDACNLGAGNSGLNLGHVALTFG
;
_entity_poly.pdbx_seq_one_letter_code_can   
;APAFSVSPASGASDGQSVSVSVAAAGETYYIAQCAPVGGQDACNPATATSFTTDASGAASFSFTVRKSYAGQTPSGTPVG
SVDCATDACNLGAGNSGLNLGHVALTFG
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ALA n 
1 2   PRO n 
1 3   ALA n 
1 4   PHE n 
1 5   SER n 
1 6   VAL n 
1 7   SER n 
1 8   PRO n 
1 9   ALA n 
1 10  SER n 
1 11  GLY n 
1 12  ALA n 
1 13  SER n 
1 14  ASP n 
1 15  GLY n 
1 16  GLN n 
1 17  SER n 
1 18  VAL n 
1 19  SER n 
1 20  VAL n 
1 21  SER n 
1 22  VAL n 
1 23  ALA n 
1 24  ALA n 
1 25  ALA n 
1 26  GLY n 
1 27  GLU n 
1 28  THR n 
1 29  TYR n 
1 30  TYR n 
1 31  ILE n 
1 32  ALA n 
1 33  GLN n 
1 34  CYS n 
1 35  ALA n 
1 36  PRO n 
1 37  VAL n 
1 38  GLY n 
1 39  GLY n 
1 40  GLN n 
1 41  ASP n 
1 42  ALA n 
1 43  CYS n 
1 44  ASN n 
1 45  PRO n 
1 46  ALA n 
1 47  THR n 
1 48  ALA n 
1 49  THR n 
1 50  SER n 
1 51  PHE n 
1 52  THR n 
1 53  THR n 
1 54  ASP n 
1 55  ALA n 
1 56  SER n 
1 57  GLY n 
1 58  ALA n 
1 59  ALA n 
1 60  SER n 
1 61  PHE n 
1 62  SER n 
1 63  PHE n 
1 64  THR n 
1 65  VAL n 
1 66  ARG n 
1 67  LYS n 
1 68  SER n 
1 69  TYR n 
1 70  ALA n 
1 71  GLY n 
1 72  GLN n 
1 73  THR n 
1 74  PRO n 
1 75  SER n 
1 76  GLY n 
1 77  THR n 
1 78  PRO n 
1 79  VAL n 
1 80  GLY n 
1 81  SER n 
1 82  VAL n 
1 83  ASP n 
1 84  CYS n 
1 85  ALA n 
1 86  THR n 
1 87  ASP n 
1 88  ALA n 
1 89  CYS n 
1 90  ASN n 
1 91  LEU n 
1 92  GLY n 
1 93  ALA n 
1 94  GLY n 
1 95  ASN n 
1 96  SER n 
1 97  GLY n 
1 98  LEU n 
1 99  ASN n 
1 100 LEU n 
1 101 GLY n 
1 102 HIS n 
1 103 VAL n 
1 104 ALA n 
1 105 LEU n 
1 106 THR n 
1 107 PHE n 
1 108 GLY n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      ? 
_entity_src_gen.pdbx_beg_seq_num                   ? 
_entity_src_gen.pdbx_end_seq_num                   ? 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     Streptomyces 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Streptomyces globisporus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     1908 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      ? 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     ? 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   ALA 1   1   1   ALA ALA A . n 
A 1 2   PRO 2   2   2   PRO PRO A . n 
A 1 3   ALA 3   3   3   ALA ALA A . n 
A 1 4   PHE 4   4   4   PHE PHE A . n 
A 1 5   SER 5   5   5   SER SER A . n 
A 1 6   VAL 6   6   6   VAL VAL A . n 
A 1 7   SER 7   7   7   SER SER A . n 
A 1 8   PRO 8   8   8   PRO PRO A . n 
A 1 9   ALA 9   9   9   ALA ALA A . n 
A 1 10  SER 10  10  10  SER SER A . n 
A 1 11  GLY 11  11  11  GLY GLY A . n 
A 1 12  ALA 12  12  12  ALA ALA A . n 
A 1 13  SER 13  13  13  SER SER A . n 
A 1 14  ASP 14  14  14  ASP ASP A . n 
A 1 15  GLY 15  15  15  GLY GLY A . n 
A 1 16  GLN 16  16  16  GLN GLN A . n 
A 1 17  SER 17  17  17  SER SER A . n 
A 1 18  VAL 18  18  18  VAL VAL A . n 
A 1 19  SER 19  19  19  SER SER A . n 
A 1 20  VAL 20  20  20  VAL VAL A . n 
A 1 21  SER 21  21  21  SER SER A . n 
A 1 22  VAL 22  22  22  VAL VAL A . n 
A 1 23  ALA 23  23  23  ALA ALA A . n 
A 1 24  ALA 24  24  24  ALA ALA A . n 
A 1 25  ALA 25  25  25  ALA ALA A . n 
A 1 26  GLY 26  26  26  GLY GLY A . n 
A 1 27  GLU 27  27  27  GLU GLU A . n 
A 1 28  THR 28  28  28  THR THR A . n 
A 1 29  TYR 29  29  29  TYR TYR A . n 
A 1 30  TYR 30  30  30  TYR TYR A . n 
A 1 31  ILE 31  31  31  ILE ILE A . n 
A 1 32  ALA 32  32  32  ALA ALA A . n 
A 1 33  GLN 33  33  33  GLN GLN A . n 
A 1 34  CYS 34  34  34  CYS CYS A . n 
A 1 35  ALA 35  35  35  ALA ALA A . n 
A 1 36  PRO 36  36  36  PRO PRO A . n 
A 1 37  VAL 37  37  37  VAL VAL A . n 
A 1 38  GLY 38  38  38  GLY GLY A . n 
A 1 39  GLY 39  39  39  GLY GLY A . n 
A 1 40  GLN 40  40  40  GLN GLN A . n 
A 1 41  ASP 41  41  41  ASP ASP A . n 
A 1 42  ALA 42  42  42  ALA ALA A . n 
A 1 43  CYS 43  43  43  CYS CYS A . n 
A 1 44  ASN 44  44  44  ASN ASN A . n 
A 1 45  PRO 45  45  45  PRO PRO A . n 
A 1 46  ALA 46  46  46  ALA ALA A . n 
A 1 47  THR 47  47  47  THR THR A . n 
A 1 48  ALA 48  48  48  ALA ALA A . n 
A 1 49  THR 49  49  49  THR THR A . n 
A 1 50  SER 50  50  50  SER SER A . n 
A 1 51  PHE 51  51  51  PHE PHE A . n 
A 1 52  THR 52  52  52  THR THR A . n 
A 1 53  THR 53  53  53  THR THR A . n 
A 1 54  ASP 54  54  54  ASP ASP A . n 
A 1 55  ALA 55  55  55  ALA ALA A . n 
A 1 56  SER 56  56  56  SER SER A . n 
A 1 57  GLY 57  57  57  GLY GLY A . n 
A 1 58  ALA 58  58  58  ALA ALA A . n 
A 1 59  ALA 59  59  59  ALA ALA A . n 
A 1 60  SER 60  60  60  SER SER A . n 
A 1 61  PHE 61  61  61  PHE PHE A . n 
A 1 62  SER 62  62  62  SER SER A . n 
A 1 63  PHE 63  63  63  PHE PHE A . n 
A 1 64  THR 64  63  63  THR THR A A n 
A 1 65  VAL 65  64  64  VAL VAL A . n 
A 1 66  ARG 66  65  65  ARG ARG A . n 
A 1 67  LYS 67  66  66  LYS LYS A . n 
A 1 68  SER 68  67  67  SER SER A . n 
A 1 69  TYR 69  68  68  TYR TYR A . n 
A 1 70  ALA 70  69  69  ALA ALA A . n 
A 1 71  GLY 71  70  70  GLY GLY A . n 
A 1 72  GLN 72  71  71  GLN GLN A . n 
A 1 73  THR 73  72  72  THR THR A . n 
A 1 74  PRO 74  73  73  PRO PRO A . n 
A 1 75  SER 75  74  74  SER SER A . n 
A 1 76  GLY 76  75  75  GLY GLY A . n 
A 1 77  THR 77  76  76  THR THR A . n 
A 1 78  PRO 78  77  77  PRO PRO A . n 
A 1 79  VAL 79  78  78  VAL VAL A . n 
A 1 80  GLY 80  79  79  GLY GLY A . n 
A 1 81  SER 81  80  80  SER SER A . n 
A 1 82  VAL 82  81  81  VAL VAL A . n 
A 1 83  ASP 83  82  82  ASP ASP A . n 
A 1 84  CYS 84  83  83  CYS CYS A . n 
A 1 85  ALA 85  84  84  ALA ALA A . n 
A 1 86  THR 86  85  85  THR THR A . n 
A 1 87  ASP 87  86  86  ASP ASP A . n 
A 1 88  ALA 88  87  87  ALA ALA A . n 
A 1 89  CYS 89  88  88  CYS CYS A . n 
A 1 90  ASN 90  89  89  ASN ASN A . n 
A 1 91  LEU 91  90  90  LEU LEU A . n 
A 1 92  GLY 92  91  91  GLY GLY A . n 
A 1 93  ALA 93  92  92  ALA ALA A . n 
A 1 94  GLY 94  93  93  GLY GLY A . n 
A 1 95  ASN 95  94  94  ASN ASN A . n 
A 1 96  SER 96  95  95  SER SER A . n 
A 1 97  GLY 97  96  96  GLY GLY A . n 
A 1 98  LEU 98  97  97  LEU LEU A . n 
A 1 99  ASN 99  98  98  ASN ASN A . n 
A 1 100 LEU 100 99  99  LEU LEU A . n 
A 1 101 GLY 101 100 100 GLY GLY A . n 
A 1 102 HIS 102 101 101 HIS HIS A . n 
A 1 103 VAL 103 102 102 VAL VAL A . n 
A 1 104 ALA 104 103 103 ALA ALA A . n 
A 1 105 LEU 105 104 104 LEU LEU A . n 
A 1 106 THR 106 105 105 THR THR A . n 
A 1 107 PHE 107 106 106 PHE PHE A . n 
A 1 108 GLY 108 107 107 GLY GLY A . n 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A GLY 107 ? C ? A GLY 108 C 
2 1 Y 1 A GLY 107 ? O ? A GLY 108 O 
# 
_software.name             REAL-SPACE 
_software.classification   refinement 
_software.version          REFINEMENT 
_software.citation_id      ? 
_software.pdbx_ordinal     1 
# 
_cell.entry_id           1ACX 
_cell.length_a           30.900 
_cell.length_b           48.800 
_cell.length_c           64.100 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              4 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         1ACX 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
# 
_exptl.entry_id          1ACX 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   ? 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.34 
_exptl_crystal.density_percent_sol   47.38 
_exptl_crystal.description           ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           ? 
_diffrn.ambient_temp_details   ? 
_diffrn.crystal_id             1 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_diffrn_protocol             ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   . 
_diffrn_radiation_wavelength.wt           1.0 
# 
_refine.entry_id                                 1ACX 
_refine.ls_number_reflns_obs                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             ? 
_refine.ls_d_res_high                            2.0 
_refine.ls_percent_reflns_obs                    ? 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       ? 
_refine.ls_R_factor_R_free                       ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 ? 
_refine.ls_number_reflns_R_free                  ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.B_iso_mean                               ? 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.solvent_model_details                    ? 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_ls_cross_valid_method               ? 
_refine.details                                  ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_B                             ? 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        721 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             0 
_refine_hist.number_atoms_total               721 
_refine_hist.d_res_high                       2.0 
_refine_hist.d_res_low                        . 
# 
_database_PDB_matrix.entry_id          1ACX 
_database_PDB_matrix.origx[1][1]       .032362 
_database_PDB_matrix.origx[1][2]       0.000000 
_database_PDB_matrix.origx[1][3]       0.000000 
_database_PDB_matrix.origx[2][1]       0.000000 
_database_PDB_matrix.origx[2][2]       .020492 
_database_PDB_matrix.origx[2][3]       0.000000 
_database_PDB_matrix.origx[3][1]       0.000000 
_database_PDB_matrix.origx[3][2]       0.000000 
_database_PDB_matrix.origx[3][3]       .015601 
_database_PDB_matrix.origx_vector[1]   0.00000 
_database_PDB_matrix.origx_vector[2]   0.00000 
_database_PDB_matrix.origx_vector[3]   0.00000 
# 
_struct.entry_id                  1ACX 
_struct.title                     'ACTINOXANTHIN STRUCTURE AT THE ATOMIC LEVEL (RUSSIAN)' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1ACX 
_struct_keywords.pdbx_keywords   'ANTIBACTERIAL PROTEIN' 
_struct_keywords.text            'ANTIBACTERIAL PROTEIN' 
# 
_struct_asym.id                            A 
_struct_asym.pdbx_blank_PDB_chainid_flag   N 
_struct_asym.pdbx_modified                 N 
_struct_asym.entity_id                     1 
_struct_asym.details                       ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    ATXA_STRGL 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_db_accession          P01551 
_struct_ref.pdbx_align_begin           1 
_struct_ref.pdbx_seq_one_letter_code   
;MSLRHMSRRASRFGVVAVASIGLAAAAQSVAFAAPAFSVSPASGLSDGQSVSVSVSGAAAGETYYIAQCAPVGGQDACNP
ATATSFTTDASGAASFSFVVRKSYAGSTPEGTPVGSVDCATDACNLGAGNSGLDLGHVALTFG
;
_struct_ref.pdbx_db_isoform            ? 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              1ACX 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 108 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P01551 
_struct_ref_seq.db_align_beg                  34 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  143 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       107 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 1ACX ALA A 12 ? UNP P01551 LEU 45  conflict 12 1 
1 1ACX ?   A ?  ? UNP P01551 SER 56  deletion ?  2 
1 1ACX ?   A ?  ? UNP P01551 GLY 57  deletion ?  3 
1 1ACX THR A 64 A UNP P01551 VAL 99  conflict 63 4 
1 1ACX GLN A 72 ? UNP P01551 SER 107 conflict 71 5 
1 1ACX SER A 75 ? UNP P01551 GLU 110 conflict 74 6 
1 1ACX ASN A 99 ? UNP P01551 ASP 134 conflict 98 7 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_struct_biol.id   1 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 34 SG ? ? ? 1_555 A CYS 43 SG ? ? A CYS 34 A CYS 43 1_555 ? ? ? ? ? ? ? 1.587 ? ? 
disulf2 disulf ? ? A CYS 84 SG ? ? ? 1_555 A CYS 89 SG ? ? A CYS 83 A CYS 88 1_555 ? ? ? ? ? ? ? 1.974 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 34 ? CYS A 43 ? CYS A 34 ? 1_555 CYS A 43 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 84 ? CYS A 89 ? CYS A 83 ? 1_555 CYS A 88 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
SH1 ? 3 ? 
SH2 ? 4 ? 
SH3 ? 2 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
SH1 1 2 ? anti-parallel 
SH1 2 3 ? anti-parallel 
SH2 1 2 ? anti-parallel 
SH2 2 3 ? anti-parallel 
SH2 3 4 ? anti-parallel 
SH3 1 2 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
SH1 1 ALA A 3   ? VAL A 6   ? ALA A 3   VAL A 6   
SH1 2 GLN A 16  ? ALA A 23  ? GLN A 16  ALA A 23  
SH1 3 SER A 60  ? VAL A 65  ? SER A 60  VAL A 64  
SH2 1 GLN A 40  ? CYS A 43  ? GLN A 40  CYS A 43  
SH2 2 THR A 28  ? VAL A 37  ? THR A 28  VAL A 37  
SH2 3 CYS A 89  ? GLY A 94  ? CYS A 88  GLY A 93  
SH2 4 HIS A 102 ? VAL A 103 ? HIS A 101 VAL A 102 
SH3 1 SER A 68  ? THR A 73  ? SER A 67  THR A 72  
SH3 2 SER A 81  ? ASP A 83  ? SER A 80  ASP A 82  
# 
_pdbx_entry_details.entry_id                   1ACX 
_pdbx_entry_details.compound_details           
;THE TYPE CLASSIFICATION SUPPLIED ON THE TURN RECORDS BELOW
FOLLOWS THE NOTATION OF C. M. VENKATACHALAM (BIOPOLYMERS 6,
1425 (1968)).
;
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1  1 C   A SER 7   ? ? CD  A PRO 8   ? ? 0.61 
2  1 O   A SER 7   ? ? CD  A PRO 8   ? ? 1.08 
3  1 O   A VAL 22  ? ? CA  A ALA 58  ? ? 1.23 
4  1 O   A ALA 46  ? ? N   A ALA 48  ? ? 1.30 
5  1 O   A ALA 58  ? ? O   A ALA 59  ? ? 1.43 
6  1 O   A SER 7   ? ? CG  A PRO 8   ? ? 1.49 
7  1 O   A ALA 103 ? ? CD1 A LEU 104 ? ? 1.58 
8  1 O   A ALA 92  ? ? O   A ASN 98  ? ? 1.66 
9  1 OG1 A THR 47  ? ? CZ  A PHE 63  ? ? 1.85 
10 1 O   A ASP 14  ? ? O   A VAL 64  ? ? 1.87 
11 1 O   A VAL 22  ? ? CB  A ALA 58  ? ? 1.90 
12 1 O   A ALA 9   ? ? CB  A LEU 104 ? ? 1.95 
13 1 O   A VAL 37  ? ? N   A GLY 39  ? ? 1.96 
14 1 O   A VAL 37  ? ? N   A GLN 40  ? ? 1.98 
15 1 N   A GLY 70  ? ? O   A GLY 79  ? ? 1.98 
16 1 O   A ASN 44  ? ? N   A ALA 46  ? ? 2.15 
17 1 C   A ALA 46  ? ? N   A ALA 48  ? ? 2.16 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 NH2 A ARG 65 ? ? 1_555 OD2 A ASP 86 ? ? 4_446 1.57 
2 1 OG  A SER 10 ? ? 1_555 CB  A SER 95 ? ? 3_555 2.17 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            N 
_pdbx_validate_rmsd_bond.auth_asym_id_1            A 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLY 
_pdbx_validate_rmsd_bond.auth_seq_id_1             107 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            CA 
_pdbx_validate_rmsd_bond.auth_asym_id_2            A 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLY 
_pdbx_validate_rmsd_bond.auth_seq_id_2             107 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                3.181 
_pdbx_validate_rmsd_bond.bond_target_value         1.456 
_pdbx_validate_rmsd_bond.bond_deviation            1.725 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.015 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 C  A SER 7   ? ? N  A PRO 8   ? ? CD  A PRO 8   ? ? 24.81  128.40 -103.59 2.10 Y 
2 1 CB A PRO 8   ? ? CA A PRO 8   ? ? C   A PRO 8   ? ? 143.40 111.70 31.70   2.10 N 
3 1 CB A ASP 14  ? ? CG A ASP 14  ? ? OD1 A ASP 14  ? ? 124.85 118.30 6.55    0.90 N 
4 1 CB A ASP 41  ? ? CG A ASP 41  ? ? OD1 A ASP 41  ? ? 124.91 118.30 6.61    0.90 N 
5 1 CB A ASP 54  ? ? CG A ASP 54  ? ? OD1 A ASP 54  ? ? 124.81 118.30 6.51    0.90 N 
6 1 CB A ASP 82  ? ? CG A ASP 82  ? ? OD1 A ASP 82  ? ? 124.81 118.30 6.51    0.90 N 
7 1 CB A ASP 86  ? ? CG A ASP 86  ? ? OD1 A ASP 86  ? ? 124.88 118.30 6.58    0.90 N 
8 1 C  A PHE 106 ? ? N  A GLY 107 ? ? CA  A GLY 107 ? ? 102.11 122.30 -20.19  2.10 Y 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1  1 PRO A 8   ? ? 106.55  65.97   
2  1 SER A 13  ? ? -82.75  -115.94 
3  1 ASP A 14  ? ? -132.17 -78.21  
4  1 ALA A 24  ? ? 82.62   61.93   
5  1 ALA A 25  ? ? -160.71 -123.12 
6  1 GLU A 27  ? ? 115.28  -152.55 
7  1 ALA A 32  ? ? 154.57  144.14  
8  1 PRO A 36  ? ? -57.33  107.93  
9  1 PRO A 45  ? ? -57.41  34.96   
10 1 ALA A 46  ? ? -136.77 -125.35 
11 1 THR A 47  ? ? -7.99   -6.70   
12 1 THR A 49  ? ? -133.36 -153.16 
13 1 ALA A 55  ? ? -43.21  -11.27  
14 1 ALA A 58  ? ? 91.01   -13.62  
15 1 ALA A 59  ? ? 4.12    159.84  
16 1 GLN A 71  ? ? 176.74  109.97  
17 1 CYS A 83  ? ? -58.22  -2.88   
18 1 ASN A 94  ? ? -146.50 -144.73 
19 1 LEU A 99  ? ? 88.89   -8.42   
20 1 HIS A 101 ? ? -125.02 -163.69 
21 1 ALA A 103 ? ? -92.27  -134.93 
22 1 LEU A 104 ? ? 124.73  120.59  
23 1 THR A 105 ? ? -41.46  -161.54 
24 1 PHE A 106 ? ? -153.92 -150.20 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
ILE N    N N N 158 
ILE CA   C N S 159 
ILE C    C N N 160 
ILE O    O N N 161 
ILE CB   C N S 162 
ILE CG1  C N N 163 
ILE CG2  C N N 164 
ILE CD1  C N N 165 
ILE OXT  O N N 166 
ILE H    H N N 167 
ILE H2   H N N 168 
ILE HA   H N N 169 
ILE HB   H N N 170 
ILE HG12 H N N 171 
ILE HG13 H N N 172 
ILE HG21 H N N 173 
ILE HG22 H N N 174 
ILE HG23 H N N 175 
ILE HD11 H N N 176 
ILE HD12 H N N 177 
ILE HD13 H N N 178 
ILE HXT  H N N 179 
LEU N    N N N 180 
LEU CA   C N S 181 
LEU C    C N N 182 
LEU O    O N N 183 
LEU CB   C N N 184 
LEU CG   C N N 185 
LEU CD1  C N N 186 
LEU CD2  C N N 187 
LEU OXT  O N N 188 
LEU H    H N N 189 
LEU H2   H N N 190 
LEU HA   H N N 191 
LEU HB2  H N N 192 
LEU HB3  H N N 193 
LEU HG   H N N 194 
LEU HD11 H N N 195 
LEU HD12 H N N 196 
LEU HD13 H N N 197 
LEU HD21 H N N 198 
LEU HD22 H N N 199 
LEU HD23 H N N 200 
LEU HXT  H N N 201 
LYS N    N N N 202 
LYS CA   C N S 203 
LYS C    C N N 204 
LYS O    O N N 205 
LYS CB   C N N 206 
LYS CG   C N N 207 
LYS CD   C N N 208 
LYS CE   C N N 209 
LYS NZ   N N N 210 
LYS OXT  O N N 211 
LYS H    H N N 212 
LYS H2   H N N 213 
LYS HA   H N N 214 
LYS HB2  H N N 215 
LYS HB3  H N N 216 
LYS HG2  H N N 217 
LYS HG3  H N N 218 
LYS HD2  H N N 219 
LYS HD3  H N N 220 
LYS HE2  H N N 221 
LYS HE3  H N N 222 
LYS HZ1  H N N 223 
LYS HZ2  H N N 224 
LYS HZ3  H N N 225 
LYS HXT  H N N 226 
PHE N    N N N 227 
PHE CA   C N S 228 
PHE C    C N N 229 
PHE O    O N N 230 
PHE CB   C N N 231 
PHE CG   C Y N 232 
PHE CD1  C Y N 233 
PHE CD2  C Y N 234 
PHE CE1  C Y N 235 
PHE CE2  C Y N 236 
PHE CZ   C Y N 237 
PHE OXT  O N N 238 
PHE H    H N N 239 
PHE H2   H N N 240 
PHE HA   H N N 241 
PHE HB2  H N N 242 
PHE HB3  H N N 243 
PHE HD1  H N N 244 
PHE HD2  H N N 245 
PHE HE1  H N N 246 
PHE HE2  H N N 247 
PHE HZ   H N N 248 
PHE HXT  H N N 249 
PRO N    N N N 250 
PRO CA   C N S 251 
PRO C    C N N 252 
PRO O    O N N 253 
PRO CB   C N N 254 
PRO CG   C N N 255 
PRO CD   C N N 256 
PRO OXT  O N N 257 
PRO H    H N N 258 
PRO HA   H N N 259 
PRO HB2  H N N 260 
PRO HB3  H N N 261 
PRO HG2  H N N 262 
PRO HG3  H N N 263 
PRO HD2  H N N 264 
PRO HD3  H N N 265 
PRO HXT  H N N 266 
SER N    N N N 267 
SER CA   C N S 268 
SER C    C N N 269 
SER O    O N N 270 
SER CB   C N N 271 
SER OG   O N N 272 
SER OXT  O N N 273 
SER H    H N N 274 
SER H2   H N N 275 
SER HA   H N N 276 
SER HB2  H N N 277 
SER HB3  H N N 278 
SER HG   H N N 279 
SER HXT  H N N 280 
THR N    N N N 281 
THR CA   C N S 282 
THR C    C N N 283 
THR O    O N N 284 
THR CB   C N R 285 
THR OG1  O N N 286 
THR CG2  C N N 287 
THR OXT  O N N 288 
THR H    H N N 289 
THR H2   H N N 290 
THR HA   H N N 291 
THR HB   H N N 292 
THR HG1  H N N 293 
THR HG21 H N N 294 
THR HG22 H N N 295 
THR HG23 H N N 296 
THR HXT  H N N 297 
TYR N    N N N 298 
TYR CA   C N S 299 
TYR C    C N N 300 
TYR O    O N N 301 
TYR CB   C N N 302 
TYR CG   C Y N 303 
TYR CD1  C Y N 304 
TYR CD2  C Y N 305 
TYR CE1  C Y N 306 
TYR CE2  C Y N 307 
TYR CZ   C Y N 308 
TYR OH   O N N 309 
TYR OXT  O N N 310 
TYR H    H N N 311 
TYR H2   H N N 312 
TYR HA   H N N 313 
TYR HB2  H N N 314 
TYR HB3  H N N 315 
TYR HD1  H N N 316 
TYR HD2  H N N 317 
TYR HE1  H N N 318 
TYR HE2  H N N 319 
TYR HH   H N N 320 
TYR HXT  H N N 321 
VAL N    N N N 322 
VAL CA   C N S 323 
VAL C    C N N 324 
VAL O    O N N 325 
VAL CB   C N N 326 
VAL CG1  C N N 327 
VAL CG2  C N N 328 
VAL OXT  O N N 329 
VAL H    H N N 330 
VAL H2   H N N 331 
VAL HA   H N N 332 
VAL HB   H N N 333 
VAL HG11 H N N 334 
VAL HG12 H N N 335 
VAL HG13 H N N 336 
VAL HG21 H N N 337 
VAL HG22 H N N 338 
VAL HG23 H N N 339 
VAL HXT  H N N 340 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
ILE N   CA   sing N N 150 
ILE N   H    sing N N 151 
ILE N   H2   sing N N 152 
ILE CA  C    sing N N 153 
ILE CA  CB   sing N N 154 
ILE CA  HA   sing N N 155 
ILE C   O    doub N N 156 
ILE C   OXT  sing N N 157 
ILE CB  CG1  sing N N 158 
ILE CB  CG2  sing N N 159 
ILE CB  HB   sing N N 160 
ILE CG1 CD1  sing N N 161 
ILE CG1 HG12 sing N N 162 
ILE CG1 HG13 sing N N 163 
ILE CG2 HG21 sing N N 164 
ILE CG2 HG22 sing N N 165 
ILE CG2 HG23 sing N N 166 
ILE CD1 HD11 sing N N 167 
ILE CD1 HD12 sing N N 168 
ILE CD1 HD13 sing N N 169 
ILE OXT HXT  sing N N 170 
LEU N   CA   sing N N 171 
LEU N   H    sing N N 172 
LEU N   H2   sing N N 173 
LEU CA  C    sing N N 174 
LEU CA  CB   sing N N 175 
LEU CA  HA   sing N N 176 
LEU C   O    doub N N 177 
LEU C   OXT  sing N N 178 
LEU CB  CG   sing N N 179 
LEU CB  HB2  sing N N 180 
LEU CB  HB3  sing N N 181 
LEU CG  CD1  sing N N 182 
LEU CG  CD2  sing N N 183 
LEU CG  HG   sing N N 184 
LEU CD1 HD11 sing N N 185 
LEU CD1 HD12 sing N N 186 
LEU CD1 HD13 sing N N 187 
LEU CD2 HD21 sing N N 188 
LEU CD2 HD22 sing N N 189 
LEU CD2 HD23 sing N N 190 
LEU OXT HXT  sing N N 191 
LYS N   CA   sing N N 192 
LYS N   H    sing N N 193 
LYS N   H2   sing N N 194 
LYS CA  C    sing N N 195 
LYS CA  CB   sing N N 196 
LYS CA  HA   sing N N 197 
LYS C   O    doub N N 198 
LYS C   OXT  sing N N 199 
LYS CB  CG   sing N N 200 
LYS CB  HB2  sing N N 201 
LYS CB  HB3  sing N N 202 
LYS CG  CD   sing N N 203 
LYS CG  HG2  sing N N 204 
LYS CG  HG3  sing N N 205 
LYS CD  CE   sing N N 206 
LYS CD  HD2  sing N N 207 
LYS CD  HD3  sing N N 208 
LYS CE  NZ   sing N N 209 
LYS CE  HE2  sing N N 210 
LYS CE  HE3  sing N N 211 
LYS NZ  HZ1  sing N N 212 
LYS NZ  HZ2  sing N N 213 
LYS NZ  HZ3  sing N N 214 
LYS OXT HXT  sing N N 215 
PHE N   CA   sing N N 216 
PHE N   H    sing N N 217 
PHE N   H2   sing N N 218 
PHE CA  C    sing N N 219 
PHE CA  CB   sing N N 220 
PHE CA  HA   sing N N 221 
PHE C   O    doub N N 222 
PHE C   OXT  sing N N 223 
PHE CB  CG   sing N N 224 
PHE CB  HB2  sing N N 225 
PHE CB  HB3  sing N N 226 
PHE CG  CD1  doub Y N 227 
PHE CG  CD2  sing Y N 228 
PHE CD1 CE1  sing Y N 229 
PHE CD1 HD1  sing N N 230 
PHE CD2 CE2  doub Y N 231 
PHE CD2 HD2  sing N N 232 
PHE CE1 CZ   doub Y N 233 
PHE CE1 HE1  sing N N 234 
PHE CE2 CZ   sing Y N 235 
PHE CE2 HE2  sing N N 236 
PHE CZ  HZ   sing N N 237 
PHE OXT HXT  sing N N 238 
PRO N   CA   sing N N 239 
PRO N   CD   sing N N 240 
PRO N   H    sing N N 241 
PRO CA  C    sing N N 242 
PRO CA  CB   sing N N 243 
PRO CA  HA   sing N N 244 
PRO C   O    doub N N 245 
PRO C   OXT  sing N N 246 
PRO CB  CG   sing N N 247 
PRO CB  HB2  sing N N 248 
PRO CB  HB3  sing N N 249 
PRO CG  CD   sing N N 250 
PRO CG  HG2  sing N N 251 
PRO CG  HG3  sing N N 252 
PRO CD  HD2  sing N N 253 
PRO CD  HD3  sing N N 254 
PRO OXT HXT  sing N N 255 
SER N   CA   sing N N 256 
SER N   H    sing N N 257 
SER N   H2   sing N N 258 
SER CA  C    sing N N 259 
SER CA  CB   sing N N 260 
SER CA  HA   sing N N 261 
SER C   O    doub N N 262 
SER C   OXT  sing N N 263 
SER CB  OG   sing N N 264 
SER CB  HB2  sing N N 265 
SER CB  HB3  sing N N 266 
SER OG  HG   sing N N 267 
SER OXT HXT  sing N N 268 
THR N   CA   sing N N 269 
THR N   H    sing N N 270 
THR N   H2   sing N N 271 
THR CA  C    sing N N 272 
THR CA  CB   sing N N 273 
THR CA  HA   sing N N 274 
THR C   O    doub N N 275 
THR C   OXT  sing N N 276 
THR CB  OG1  sing N N 277 
THR CB  CG2  sing N N 278 
THR CB  HB   sing N N 279 
THR OG1 HG1  sing N N 280 
THR CG2 HG21 sing N N 281 
THR CG2 HG22 sing N N 282 
THR CG2 HG23 sing N N 283 
THR OXT HXT  sing N N 284 
TYR N   CA   sing N N 285 
TYR N   H    sing N N 286 
TYR N   H2   sing N N 287 
TYR CA  C    sing N N 288 
TYR CA  CB   sing N N 289 
TYR CA  HA   sing N N 290 
TYR C   O    doub N N 291 
TYR C   OXT  sing N N 292 
TYR CB  CG   sing N N 293 
TYR CB  HB2  sing N N 294 
TYR CB  HB3  sing N N 295 
TYR CG  CD1  doub Y N 296 
TYR CG  CD2  sing Y N 297 
TYR CD1 CE1  sing Y N 298 
TYR CD1 HD1  sing N N 299 
TYR CD2 CE2  doub Y N 300 
TYR CD2 HD2  sing N N 301 
TYR CE1 CZ   doub Y N 302 
TYR CE1 HE1  sing N N 303 
TYR CE2 CZ   sing Y N 304 
TYR CE2 HE2  sing N N 305 
TYR CZ  OH   sing N N 306 
TYR OH  HH   sing N N 307 
TYR OXT HXT  sing N N 308 
VAL N   CA   sing N N 309 
VAL N   H    sing N N 310 
VAL N   H2   sing N N 311 
VAL CA  C    sing N N 312 
VAL CA  CB   sing N N 313 
VAL CA  HA   sing N N 314 
VAL C   O    doub N N 315 
VAL C   OXT  sing N N 316 
VAL CB  CG1  sing N N 317 
VAL CB  CG2  sing N N 318 
VAL CB  HB   sing N N 319 
VAL CG1 HG11 sing N N 320 
VAL CG1 HG12 sing N N 321 
VAL CG1 HG13 sing N N 322 
VAL CG2 HG21 sing N N 323 
VAL CG2 HG22 sing N N 324 
VAL CG2 HG23 sing N N 325 
VAL OXT HXT  sing N N 326 
# 
_atom_sites.entry_id                    1ACX 
_atom_sites.fract_transf_matrix[1][1]   .032362 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   .020492 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   0.000000 
_atom_sites.fract_transf_matrix[3][3]   .015601 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
_atom_sites_footnote.id     1 
_atom_sites_footnote.text   'SEE REMARK 5.' 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM 1   N N   . ALA A 1 1   ? 9.484   -7.014  7.366  1.00 1.00 ? 1   ALA A N   1 
ATOM 2   C CA  . ALA A 1 1   ? 8.411   -6.863  6.372  1.00 1.00 ? 1   ALA A CA  1 
ATOM 3   C C   . ALA A 1 1   ? 7.066   -6.704  7.086  1.00 1.00 ? 1   ALA A C   1 
ATOM 4   O O   . ALA A 1 1   ? 6.627   -5.580  7.375  1.00 1.00 ? 1   ALA A O   1 
ATOM 5   C CB  . ALA A 1 1   ? 8.300   -8.147  5.531  1.00 1.00 ? 1   ALA A CB  1 
ATOM 6   N N   . PRO A 1 2   ? 6.433   -7.831  7.359  1.00 1.00 ? 2   PRO A N   1 
ATOM 7   C CA  . PRO A 1 2   ? 5.128   -7.820  8.039  1.00 1.00 ? 2   PRO A CA  1 
ATOM 8   C C   . PRO A 1 2   ? 5.252   -7.094  9.380  1.00 1.00 ? 2   PRO A C   1 
ATOM 9   O O   . PRO A 1 2   ? 6.283   -7.190  10.062 1.00 1.00 ? 2   PRO A O   1 
ATOM 10  C CB  . PRO A 1 2   ? 4.772   -9.269  8.170  1.00 1.00 ? 2   PRO A CB  1 
ATOM 11  C CG  . PRO A 1 2   ? 6.091   -10.022 8.162  1.00 1.00 ? 2   PRO A CG  1 
ATOM 12  C CD  . PRO A 1 2   ? 7.000   -9.172  7.275  1.00 1.00 ? 2   PRO A CD  1 
ATOM 13  N N   . ALA A 1 3   ? 4.202   -6.375  9.735  1.00 1.00 ? 3   ALA A N   1 
ATOM 14  C CA  . ALA A 1 3   ? 4.192   -5.622  10.994 1.00 1.00 ? 3   ALA A CA  1 
ATOM 15  C C   . ALA A 1 3   ? 2.765   -5.553  11.542 1.00 1.00 ? 3   ALA A C   1 
ATOM 16  O O   . ALA A 1 3   ? 1.796   -5.402  10.781 1.00 1.00 ? 3   ALA A O   1 
ATOM 17  C CB  . ALA A 1 3   ? 4.623   -4.168  10.734 1.00 1.00 ? 3   ALA A CB  1 
ATOM 18  N N   . PHE A 1 4   ? 2.655   -5.665  12.854 1.00 1.00 ? 4   PHE A N   1 
ATOM 19  C CA  . PHE A 1 4   ? 1.340   -5.621  13.509 1.00 1.00 ? 4   PHE A CA  1 
ATOM 20  C C   . PHE A 1 4   ? 1.429   -4.784  14.787 1.00 1.00 ? 4   PHE A C   1 
ATOM 21  O O   . PHE A 1 4   ? 2.181   -5.118  15.716 1.00 1.00 ? 4   PHE A O   1 
ATOM 22  C CB  . PHE A 1 4   ? 0.879   -7.038  13.807 1.00 1.00 ? 4   PHE A CB  1 
ATOM 23  C CG  . PHE A 1 4   ? -0.419  -7.135  14.558 1.00 1.00 ? 4   PHE A CG  1 
ATOM 24  C CD1 . PHE A 1 4   ? -1.467  -6.369  14.165 1.00 1.00 ? 4   PHE A CD1 1 
ATOM 25  C CD2 . PHE A 1 4   ? -0.604  -8.032  15.577 1.00 1.00 ? 4   PHE A CD2 1 
ATOM 26  C CE1 . PHE A 1 4   ? -2.729  -6.425  14.826 1.00 1.00 ? 4   PHE A CE1 1 
ATOM 27  C CE2 . PHE A 1 4   ? -1.894  -8.113  16.208 1.00 1.00 ? 4   PHE A CE2 1 
ATOM 28  C CZ  . PHE A 1 4   ? -2.904  -7.300  15.849 1.00 1.00 ? 4   PHE A CZ  1 
ATOM 29  N N   . SER A 1 5   ? 0.662   -3.708  14.816 1.00 1.00 ? 5   SER A N   1 
ATOM 30  C CA  . SER A 1 5   ? 0.659   -2.815  15.983 1.00 1.00 ? 5   SER A CA  1 
ATOM 31  C C   . SER A 1 5   ? -0.782  -2.445  16.341 1.00 1.00 ? 5   SER A C   1 
ATOM 32  O O   . SER A 1 5   ? -1.721  -2.719  15.581 1.00 1.00 ? 5   SER A O   1 
ATOM 33  C CB  . SER A 1 5   ? 1.455   -1.559  15.696 1.00 1.00 ? 5   SER A CB  1 
ATOM 34  O OG  . SER A 1 5   ? 2.249   -1.691  14.519 1.00 1.00 ? 5   SER A OG  1 
ATOM 35  N N   . VAL A 1 6   ? -0.936  -1.827  17.501 1.00 1.00 ? 6   VAL A N   1 
ATOM 36  C CA  . VAL A 1 6   ? -2.269  -1.423  17.972 1.00 1.00 ? 6   VAL A CA  1 
ATOM 37  C C   . VAL A 1 6   ? -2.168  -0.093  18.723 1.00 1.00 ? 6   VAL A C   1 
ATOM 38  O O   . VAL A 1 6   ? -1.414  0.031   19.700 1.00 1.00 ? 6   VAL A O   1 
ATOM 39  C CB  . VAL A 1 6   ? -2.855  -2.509  18.862 1.00 1.00 ? 6   VAL A CB  1 
ATOM 40  C CG1 . VAL A 1 6   ? -2.302  -3.934  18.601 1.00 1.00 ? 6   VAL A CG1 1 
ATOM 41  C CG2 . VAL A 1 6   ? -2.809  -2.132  20.319 1.00 1.00 ? 6   VAL A CG2 1 
ATOM 42  N N   . SER A 1 7   ? -2.928  0.882   18.258 1.00 1.00 ? 7   SER A N   1 
ATOM 43  C CA  . SER A 1 7   ? -2.921  2.212   18.885 1.00 1.00 ? 7   SER A CA  1 
ATOM 44  C C   . SER A 1 7   ? -3.673  2.157   20.216 1.00 1.00 ? 7   SER A C   1 
ATOM 45  O O   . SER A 1 7   ? -4.913  2.099   20.246 1.00 1.00 ? 7   SER A O   1 
ATOM 46  C CB  . SER A 1 7   ? -3.566  3.234   17.970 1.00 1.00 ? 7   SER A CB  1 
ATOM 47  O OG  . SER A 1 7   ? -2.862  4.473   17.972 1.00 1.00 ? 7   SER A OG  1 
ATOM 48  N N   . PRO A 1 8   ? -2.914  2.176   21.299 1.00 1.00 ? 8   PRO A N   1 
ATOM 49  C CA  . PRO A 1 8   ? -3.509  2.122   22.642 1.00 1.00 ? 8   PRO A CA  1 
ATOM 50  C C   . PRO A 1 8   ? -3.273  0.739   23.255 1.00 1.00 ? 8   PRO A C   1 
ATOM 51  O O   . PRO A 1 8   ? -4.223  -0.027  23.486 1.00 1.00 ? 8   PRO A O   1 
ATOM 52  C CB  . PRO A 1 8   ? -4.402  3.325   22.694 1.00 1.00 ? 8   PRO A CB  1 
ATOM 53  C CG  . PRO A 1 8   ? -5.115  3.042   21.382 1.00 1.00 ? 8   PRO A CG  1 
ATOM 54  C CD  . PRO A 1 8   ? -3.993  2.634   20.429 1.00 1.00 ? 8   PRO A CD  1 
ATOM 55  N N   . ALA A 1 9   ? -2.012  0.439   23.510 1.00 1.00 ? 9   ALA A N   1 
ATOM 56  C CA  . ALA A 1 9   ? -1.647  -0.860  24.095 1.00 1.00 ? 9   ALA A CA  1 
ATOM 57  C C   . ALA A 1 9   ? -1.451  -0.709  25.605 1.00 1.00 ? 9   ALA A C   1 
ATOM 58  O O   . ALA A 1 9   ? -1.479  -1.698  26.353 1.00 1.00 ? 9   ALA A O   1 
ATOM 59  C CB  . ALA A 1 9   ? -0.291  -1.319  23.529 1.00 1.00 ? 9   ALA A CB  1 
ATOM 60  N N   . SER A 1 10  ? -1.254  0.528   26.031 1.00 1.00 ? 10  SER A N   1 
ATOM 61  C CA  . SER A 1 10  ? -1.046  0.812   27.459 1.00 1.00 ? 10  SER A CA  1 
ATOM 62  C C   . SER A 1 10  ? -2.147  1.749   27.962 1.00 1.00 ? 10  SER A C   1 
ATOM 63  O O   . SER A 1 10  ? -2.799  2.449   27.171 1.00 1.00 ? 10  SER A O   1 
ATOM 64  C CB  . SER A 1 10  ? 0.312   1.444   27.682 1.00 1.00 ? 10  SER A CB  1 
ATOM 65  O OG  . SER A 1 10  ? 1.002   1.674   26.456 1.00 1.00 ? 10  SER A OG  1 
ATOM 66  N N   . GLY A 1 11  ? -2.338  1.749   29.270 1.00 1.00 ? 11  GLY A N   1 
ATOM 67  C CA  . GLY A 1 11  ? -3.368  2.599   29.885 1.00 1.00 ? 11  GLY A CA  1 
ATOM 68  C C   . GLY A 1 11  ? -4.726  2.309   29.240 1.00 1.00 ? 11  GLY A C   1 
ATOM 69  O O   . GLY A 1 11  ? -5.508  3.231   28.959 1.00 1.00 ? 11  GLY A O   1 
ATOM 70  N N   . ALA A 1 12  ? -4.985  1.035   29.016 1.00 1.00 ? 12  ALA A N   1 
ATOM 71  C CA  . ALA A 1 12  ? -6.251  0.619   28.396 1.00 1.00 ? 12  ALA A CA  1 
ATOM 72  C C   . ALA A 1 12  ? -7.300  0.367   29.483 1.00 1.00 ? 12  ALA A C   1 
ATOM 73  O O   . ALA A 1 12  ? -6.974  -0.101  30.585 1.00 1.00 ? 12  ALA A O   1 
ATOM 74  C CB  . ALA A 1 12  ? -6.054  -0.723  27.669 1.00 1.00 ? 12  ALA A CB  1 
ATOM 75  N N   . SER A 1 13  ? -8.541  0.682   29.158 1.00 1.00 ? 13  SER A N   1 
ATOM 76  C CA  . SER A 1 13  ? -9.644  0.495   30.114 1.00 1.00 ? 13  SER A CA  1 
ATOM 77  C C   . SER A 1 13  ? -10.118 -0.960  30.074 1.00 1.00 ? 13  SER A C   1 
ATOM 78  O O   . SER A 1 13  ? -9.367  -1.886  30.419 1.00 1.00 ? 13  SER A O   1 
ATOM 79  C CB  . SER A 1 13  ? -10.795 1.423   29.785 1.00 1.00 ? 13  SER A CB  1 
ATOM 80  O OG  . SER A 1 13  ? -10.913 2.483   30.728 1.00 1.00 ? 13  SER A OG  1 
ATOM 81  N N   . ASP A 1 14  ? -11.359 -1.140  29.657 1.00 1.00 ? 14  ASP A N   1 
ATOM 82  C CA  . ASP A 1 14  ? -11.941 -2.488  29.574 1.00 1.00 ? 14  ASP A CA  1 
ATOM 83  C C   . ASP A 1 14  ? -12.624 -2.672  28.217 1.00 1.00 ? 14  ASP A C   1 
ATOM 84  O O   . ASP A 1 14  ? -12.073 -3.314  27.309 1.00 1.00 ? 14  ASP A O   1 
ATOM 85  C CB  . ASP A 1 14  ? -12.945 -2.693  30.731 1.00 1.00 ? 14  ASP A CB  1 
ATOM 86  C CG  . ASP A 1 14  ? -13.549 -4.075  30.696 1.00 1.00 ? 14  ASP A CG  1 
ATOM 87  O OD1 . ASP A 1 14  ? -14.732 -4.323  30.860 1.00 1.00 ? 14  ASP A OD1 1 
ATOM 88  O OD2 . ASP A 1 14  ? -12.788 -4.966  30.426 1.00 1.00 ? 14  ASP A OD2 1 
ATOM 89  N N   . GLY A 1 15  ? -13.813 -2.109  28.101 1.00 1.00 ? 15  GLY A N   1 
ATOM 90  C CA  . GLY A 1 15  ? -14.580 -2.215  26.850 1.00 1.00 ? 15  GLY A CA  1 
ATOM 91  C C   . GLY A 1 15  ? -14.146 -1.109  25.885 1.00 1.00 ? 15  GLY A C   1 
ATOM 92  O O   . GLY A 1 15  ? -14.949 -0.618  25.077 1.00 1.00 ? 15  GLY A O   1 
ATOM 93  N N   . GLN A 1 16  ? -12.883 -0.732  25.985 1.00 1.00 ? 16  GLN A N   1 
ATOM 94  C CA  . GLN A 1 16  ? -12.341 0.326   25.117 1.00 1.00 ? 16  GLN A CA  1 
ATOM 95  C C   . GLN A 1 16  ? -11.961 -0.266  23.757 1.00 1.00 ? 16  GLN A C   1 
ATOM 96  O O   . GLN A 1 16  ? -11.462 -1.399  23.673 1.00 1.00 ? 16  GLN A O   1 
ATOM 97  C CB  . GLN A 1 16  ? -11.157 0.943   25.817 1.00 1.00 ? 16  GLN A CB  1 
ATOM 98  C CG  . GLN A 1 16  ? -10.368 1.824   24.949 1.00 1.00 ? 16  GLN A CG  1 
ATOM 99  C CD  . GLN A 1 16  ? -9.232  2.582   25.652 1.00 1.00 ? 16  GLN A CD  1 
ATOM 100 O OE1 . GLN A 1 16  ? -8.852  2.172   26.788 1.00 1.00 ? 16  GLN A OE1 1 
ATOM 101 N NE2 . GLN A 1 16  ? -8.764  3.627   25.084 1.00 1.00 ? 16  GLN A NE2 1 
ATOM 102 N N   . SER A 1 17  ? -12.204 0.508   22.716 1.00 1.00 ? 17  SER A N   1 
ATOM 103 C CA  . SER A 1 17  ? -11.891 0.056   21.352 1.00 1.00 ? 17  SER A CA  1 
ATOM 104 C C   . SER A 1 17  ? -10.487 0.526   20.964 1.00 1.00 ? 17  SER A C   1 
ATOM 105 O O   . SER A 1 17  ? -10.116 1.687   21.195 1.00 1.00 ? 17  SER A O   1 
ATOM 106 C CB  . SER A 1 17  ? -12.907 0.599   20.368 1.00 1.00 ? 17  SER A CB  1 
ATOM 107 O OG  . SER A 1 17  ? -14.129 -0.135  20.402 1.00 1.00 ? 17  SER A OG  1 
ATOM 108 N N   . VAL A 1 18  ? -9.726  -0.383  20.381 1.00 1.00 ? 18  VAL A N   1 
ATOM 109 C CA  . VAL A 1 18  ? -8.352  -0.065  19.963 1.00 1.00 ? 18  VAL A CA  1 
ATOM 110 C C   . VAL A 1 18  ? -8.241  -0.169  18.440 1.00 1.00 ? 18  VAL A C   1 
ATOM 111 O O   . VAL A 1 18  ? -8.950  -0.963  17.802 1.00 1.00 ? 18  VAL A O   1 
ATOM 112 C CB  . VAL A 1 18  ? -7.373  -1.011  20.645 1.00 1.00 ? 18  VAL A CB  1 
ATOM 113 C CG1 . VAL A 1 18  ? -6.617  -1.969  19.688 1.00 1.00 ? 18  VAL A CG1 1 
ATOM 114 C CG2 . VAL A 1 18  ? -6.445  -0.285  21.583 1.00 1.00 ? 18  VAL A CG2 1 
ATOM 115 N N   . SER A 1 19  ? -7.355  0.634   17.881 1.00 1.00 ? 19  SER A N   1 
ATOM 116 C CA  . SER A 1 19  ? -7.149  0.633   16.429 1.00 1.00 ? 19  SER A CA  1 
ATOM 117 C C   . SER A 1 19  ? -5.966  -0.267  16.070 1.00 1.00 ? 19  SER A C   1 
ATOM 118 O O   . SER A 1 19  ? -4.816  0.023   16.428 1.00 1.00 ? 19  SER A O   1 
ATOM 119 C CB  . SER A 1 19  ? -6.899  2.047   15.928 1.00 1.00 ? 19  SER A CB  1 
ATOM 120 O OG  . SER A 1 19  ? -7.651  2.342   14.756 1.00 1.00 ? 19  SER A OG  1 
ATOM 121 N N   . VAL A 1 20  ? -6.264  -1.344  15.372 1.00 1.00 ? 20  VAL A N   1 
ATOM 122 C CA  . VAL A 1 20  ? -5.222  -2.298  14.966 1.00 1.00 ? 20  VAL A CA  1 
ATOM 123 C C   . VAL A 1 20  ? -4.827  -2.037  13.511 1.00 1.00 ? 20  VAL A C   1 
ATOM 124 O O   . VAL A 1 20  ? -5.665  -1.657  12.681 1.00 1.00 ? 20  VAL A O   1 
ATOM 125 C CB  . VAL A 1 20  ? -5.724  -3.723  15.147 1.00 1.00 ? 20  VAL A CB  1 
ATOM 126 C CG1 . VAL A 1 20  ? -6.610  -3.948  16.395 1.00 1.00 ? 20  VAL A CG1 1 
ATOM 127 C CG2 . VAL A 1 20  ? -6.355  -4.266  13.891 1.00 1.00 ? 20  VAL A CG2 1 
ATOM 128 N N   . SER A 1 21  ? -3.554  -2.245  13.224 1.00 1.00 ? 21  SER A N   1 
ATOM 129 C CA  . SER A 1 21  ? -3.041  -2.028  11.864 1.00 1.00 ? 21  SER A CA  1 
ATOM 130 C C   . SER A 1 21  ? -2.148  -3.202  11.455 1.00 1.00 ? 21  SER A C   1 
ATOM 131 O O   . SER A 1 21  ? -1.546  -3.871  12.309 1.00 1.00 ? 21  SER A O   1 
ATOM 132 C CB  . SER A 1 21  ? -2.256  -0.733  11.791 1.00 1.00 ? 21  SER A CB  1 
ATOM 133 O OG  . SER A 1 21  ? -2.885  0.225   10.944 1.00 1.00 ? 21  SER A OG  1 
ATOM 134 N N   . VAL A 1 22  ? -2.076  -3.436  10.160 1.00 1.00 ? 22  VAL A N   1 
ATOM 135 C CA  . VAL A 1 22  ? -1.258  -4.538  9.636  1.00 1.00 ? 22  VAL A CA  1 
ATOM 136 C C   . VAL A 1 22  ? -0.748  -4.180  8.238  1.00 1.00 ? 22  VAL A C   1 
ATOM 137 O O   . VAL A 1 22  ? -1.484  -3.609  7.418  1.00 1.00 ? 22  VAL A O   1 
ATOM 138 C CB  . VAL A 1 22  ? -2.080  -5.821  9.603  1.00 1.00 ? 22  VAL A CB  1 
ATOM 139 C CG1 . VAL A 1 22  ? -3.598  -5.630  9.854  1.00 1.00 ? 22  VAL A CG1 1 
ATOM 140 C CG2 . VAL A 1 22  ? -1.804  -6.642  8.370  1.00 1.00 ? 22  VAL A CG2 1 
ATOM 141 N N   . ALA A 1 23  ? 0.505   -4.517  7.988  1.00 1.00 ? 23  ALA A N   1 
ATOM 142 C CA  . ALA A 1 23  ? 1.121   -4.225  6.684  1.00 1.00 ? 23  ALA A CA  1 
ATOM 143 C C   . ALA A 1 23  ? 2.172   -5.289  6.361  1.00 1.00 ? 23  ALA A C   1 
ATOM 144 O O   . ALA A 1 23  ? 2.870   -5.789  7.257  1.00 1.00 ? 23  ALA A O   1 
ATOM 145 C CB  . ALA A 1 23  ? 1.874   -2.886  6.757  1.00 1.00 ? 23  ALA A CB  1 
ATOM 146 N N   . ALA A 1 24  ? 2.270   -5.622  5.087  1.00 1.00 ? 24  ALA A N   1 
ATOM 147 C CA  . ALA A 1 24  ? 3.238   -6.636  4.642  1.00 1.00 ? 24  ALA A CA  1 
ATOM 148 C C   . ALA A 1 24  ? 2.651   -8.034  4.853  1.00 1.00 ? 24  ALA A C   1 
ATOM 149 O O   . ALA A 1 24  ? 3.194   -8.845  5.619  1.00 1.00 ? 24  ALA A O   1 
ATOM 150 C CB  . ALA A 1 24  ? 4.501   -6.565  5.517  1.00 1.00 ? 24  ALA A CB  1 
ATOM 151 N N   . ALA A 1 25  ? 1.550   -8.295  4.172  1.00 1.00 ? 25  ALA A N   1 
ATOM 152 C CA  . ALA A 1 25  ? 0.881   -9.599  4.288  1.00 1.00 ? 25  ALA A CA  1 
ATOM 153 C C   . ALA A 1 25  ? -0.042  -9.813  3.086  1.00 1.00 ? 25  ALA A C   1 
ATOM 154 O O   . ALA A 1 25  ? 0.399   -9.767  1.927  1.00 1.00 ? 25  ALA A O   1 
ATOM 155 C CB  . ALA A 1 25  ? -0.026  -9.607  5.531  1.00 1.00 ? 25  ALA A CB  1 
ATOM 156 N N   . GLY A 1 26  ? -1.309  -10.044 3.379  1.00 1.00 ? 26  GLY A N   1 
ATOM 157 C CA  . GLY A 1 26  ? -2.302  -10.271 2.317  1.00 1.00 ? 26  GLY A CA  1 
ATOM 158 C C   . GLY A 1 26  ? -2.980  -11.627 2.529  1.00 1.00 ? 26  GLY A C   1 
ATOM 159 O O   . GLY A 1 26  ? -2.317  -12.630 2.835  1.00 1.00 ? 26  GLY A O   1 
ATOM 160 N N   . GLU A 1 27  ? -4.290  -11.636 2.365  1.00 1.00 ? 27  GLU A N   1 
ATOM 161 C CA  . GLU A 1 27  ? -5.067  -12.875 2.545  1.00 1.00 ? 27  GLU A CA  1 
ATOM 162 C C   . GLU A 1 27  ? -6.014  -12.718 3.734  1.00 1.00 ? 27  GLU A C   1 
ATOM 163 O O   . GLU A 1 27  ? -6.440  -11.601 4.067  1.00 1.00 ? 27  GLU A O   1 
ATOM 164 C CB  . GLU A 1 27  ? -4.143  -14.101 2.803  1.00 1.00 ? 27  GLU A CB  1 
ATOM 165 C CG  . GLU A 1 27  ? -3.334  -14.629 1.598  1.00 1.00 ? 27  GLU A CG  1 
ATOM 166 C CD  . GLU A 1 27  ? -2.615  -16.001 1.837  1.00 1.00 ? 27  GLU A CD  1 
ATOM 167 O OE1 . GLU A 1 27  ? -3.013  -16.786 2.645  1.00 1.00 ? 27  GLU A OE1 1 
ATOM 168 O OE2 . GLU A 1 27  ? -1.657  -16.067 1.067  1.00 1.00 ? 27  GLU A OE2 1 
ATOM 169 N N   . THR A 1 28  ? -6.335  -13.839 4.355  1.00 1.00 ? 28  THR A N   1 
ATOM 170 C CA  . THR A 1 28  ? -7.245  -13.829 5.509  1.00 1.00 ? 28  THR A CA  1 
ATOM 171 C C   . THR A 1 28  ? -6.473  -14.206 6.776  1.00 1.00 ? 28  THR A C   1 
ATOM 172 O O   . THR A 1 28  ? -5.678  -15.159 6.779  1.00 1.00 ? 28  THR A O   1 
ATOM 173 C CB  . THR A 1 28  ? -8.393  -14.812 5.197  1.00 1.00 ? 28  THR A CB  1 
ATOM 174 O OG1 . THR A 1 28  ? -9.489  -13.969 4.859  1.00 1.00 ? 28  THR A OG1 1 
ATOM 175 C CG2 . THR A 1 28  ? -8.742  -15.683 6.373  1.00 1.00 ? 28  THR A CG2 1 
ATOM 176 N N   . TYR A 1 29  ? -6.717  -13.452 7.834  1.00 1.00 ? 29  TYR A N   1 
ATOM 177 C CA  . TYR A 1 29  ? -6.038  -13.703 9.114  1.00 1.00 ? 29  TYR A CA  1 
ATOM 178 C C   . TYR A 1 29  ? -7.058  -13.669 10.250 1.00 1.00 ? 29  TYR A C   1 
ATOM 179 O O   . TYR A 1 29  ? -8.256  -13.430 10.031 1.00 1.00 ? 29  TYR A O   1 
ATOM 180 C CB  . TYR A 1 29  ? -4.934  -12.650 9.307  1.00 1.00 ? 29  TYR A CB  1 
ATOM 181 C CG  . TYR A 1 29  ? -3.910  -12.643 8.161  1.00 1.00 ? 29  TYR A CG  1 
ATOM 182 C CD1 . TYR A 1 29  ? -2.729  -13.392 8.325  1.00 1.00 ? 29  TYR A CD1 1 
ATOM 183 C CD2 . TYR A 1 29  ? -4.091  -11.874 7.041  1.00 1.00 ? 29  TYR A CD2 1 
ATOM 184 C CE1 . TYR A 1 29  ? -1.745  -13.383 7.249  1.00 1.00 ? 29  TYR A CE1 1 
ATOM 185 C CE2 . TYR A 1 29  ? -3.132  -11.857 5.982  1.00 1.00 ? 29  TYR A CE2 1 
ATOM 186 C CZ  . TYR A 1 29  ? -1.960  -12.607 6.165  1.00 1.00 ? 29  TYR A CZ  1 
ATOM 187 O OH  . TYR A 1 29  ? -1.018  -12.578 5.157  1.00 1.00 ? 29  TYR A OH  1 
ATOM 188 N N   . TYR A 1 30  ? -6.571  -13.908 11.454 1.00 1.00 ? 30  TYR A N   1 
ATOM 189 C CA  . TYR A 1 30  ? -7.444  -13.911 12.636 1.00 1.00 ? 30  TYR A CA  1 
ATOM 190 C C   . TYR A 1 30  ? -6.806  -13.078 13.751 1.00 1.00 ? 30  TYR A C   1 
ATOM 191 O O   . TYR A 1 30  ? -5.579  -12.927 13.808 1.00 1.00 ? 30  TYR A O   1 
ATOM 192 C CB  . TYR A 1 30  ? -7.685  -15.368 13.077 1.00 1.00 ? 30  TYR A CB  1 
ATOM 193 C CG  . TYR A 1 30  ? -8.268  -16.236 11.956 1.00 1.00 ? 30  TYR A CG  1 
ATOM 194 C CD1 . TYR A 1 30  ? -7.368  -16.958 11.148 1.00 1.00 ? 30  TYR A CD1 1 
ATOM 195 C CD2 . TYR A 1 30  ? -9.611  -16.261 11.688 1.00 1.00 ? 30  TYR A CD2 1 
ATOM 196 C CE1 . TYR A 1 30  ? -7.907  -17.782 10.075 1.00 1.00 ? 30  TYR A CE1 1 
ATOM 197 C CE2 . TYR A 1 30  ? -10.149 -17.063 10.636 1.00 1.00 ? 30  TYR A CE2 1 
ATOM 198 C CZ  . TYR A 1 30  ? -9.237  -17.772 9.844  1.00 1.00 ? 30  TYR A CZ  1 
ATOM 199 O OH  . TYR A 1 30  ? -9.746  -18.533 8.810  1.00 1.00 ? 30  TYR A OH  1 
ATOM 200 N N   . ILE A 1 31  ? -7.651  -12.550 14.620 1.00 1.00 ? 31  ILE A N   1 
ATOM 201 C CA  . ILE A 1 31  ? -7.168  -11.723 15.737 1.00 1.00 ? 31  ILE A CA  1 
ATOM 202 C C   . ILE A 1 31  ? -7.947  -12.071 17.006 1.00 1.00 ? 31  ILE A C   1 
ATOM 203 O O   . ILE A 1 31  ? -8.996  -12.732 16.950 1.00 1.00 ? 31  ILE A O   1 
ATOM 204 C CB  . ILE A 1 31  ? -7.352  -10.211 15.451 1.00 1.00 ? 31  ILE A CB  1 
ATOM 205 C CG1 . ILE A 1 31  ? -6.714  -9.309  16.540 1.00 1.00 ? 31  ILE A CG1 1 
ATOM 206 C CG2 . ILE A 1 31  ? -8.872  -10.107 15.287 1.00 1.00 ? 31  ILE A CG2 1 
ATOM 207 C CD1 . ILE A 1 31  ? -6.039  -8.035  15.978 1.00 1.00 ? 31  ILE A CD1 1 
ATOM 208 N N   . ALA A 1 32  ? -7.424  -11.620 18.134 1.00 1.00 ? 32  ALA A N   1 
ATOM 209 C CA  . ALA A 1 32  ? -8.070  -11.889 19.429 1.00 1.00 ? 32  ALA A CA  1 
ATOM 210 C C   . ALA A 1 32  ? -7.024  -11.844 20.546 1.00 1.00 ? 32  ALA A C   1 
ATOM 211 O O   . ALA A 1 32  ? -5.870  -12.258 20.355 1.00 1.00 ? 32  ALA A O   1 
ATOM 212 C CB  . ALA A 1 32  ? -8.644  -13.317 19.433 1.00 1.00 ? 32  ALA A CB  1 
ATOM 213 N N   . GLN A 1 33  ? -7.442  -11.341 21.695 1.00 1.00 ? 33  GLN A N   1 
ATOM 214 C CA  . GLN A 1 33  ? -6.536  -11.235 22.850 1.00 1.00 ? 33  GLN A CA  1 
ATOM 215 C C   . GLN A 1 33  ? -6.517  -12.563 23.613 1.00 1.00 ? 33  GLN A C   1 
ATOM 216 O O   . GLN A 1 33  ? -7.571  -13.079 24.019 1.00 1.00 ? 33  GLN A O   1 
ATOM 217 C CB  . GLN A 1 33  ? -7.001  -10.093 23.711 1.00 1.00 ? 33  GLN A CB  1 
ATOM 218 C CG  . GLN A 1 33  ? -8.323  -10.318 24.311 1.00 1.00 ? 33  GLN A CG  1 
ATOM 219 C CD  . GLN A 1 33  ? -8.811  -9.203  25.248 1.00 1.00 ? 33  GLN A CD  1 
ATOM 220 O OE1 . GLN A 1 33  ? -8.045  -8.831  26.184 1.00 1.00 ? 33  GLN A OE1 1 
ATOM 221 N NE2 . GLN A 1 33  ? -9.994  -8.745  25.077 1.00 1.00 ? 33  GLN A NE2 1 
ATOM 222 N N   . CYS A 1 34  ? -5.324  -13.094 23.797 1.00 1.00 ? 34  CYS A N   1 
ATOM 223 C CA  . CYS A 1 34  ? -5.166  -14.371 24.511 1.00 1.00 ? 34  CYS A CA  1 
ATOM 224 C C   . CYS A 1 34  ? -4.196  -14.190 25.682 1.00 1.00 ? 34  CYS A C   1 
ATOM 225 O O   . CYS A 1 34  ? -3.592  -13.118 25.849 1.00 1.00 ? 34  CYS A O   1 
ATOM 226 C CB  . CYS A 1 34  ? -4.782  -15.489 23.570 1.00 1.00 ? 34  CYS A CB  1 
ATOM 227 S SG  . CYS A 1 34  ? -5.813  -15.680 22.082 1.00 1.00 ? 34  CYS A SG  1 
ATOM 228 N N   . ALA A 1 35  ? -4.063  -15.237 26.476 1.00 1.00 ? 35  ALA A N   1 
ATOM 229 C CA  . ALA A 1 35  ? -3.167  -15.195 27.643 1.00 1.00 ? 35  ALA A CA  1 
ATOM 230 C C   . ALA A 1 35  ? -2.710  -16.608 27.994 1.00 1.00 ? 35  ALA A C   1 
ATOM 231 O O   . ALA A 1 35  ? -3.522  -17.461 28.388 1.00 1.00 ? 35  ALA A O   1 
ATOM 232 C CB  . ALA A 1 35  ? -3.939  -14.677 28.867 1.00 1.00 ? 35  ALA A CB  1 
ATOM 233 N N   . PRO A 1 36  ? -1.418  -16.840 27.846 1.00 1.00 ? 36  PRO A N   1 
ATOM 234 C CA  . PRO A 1 36  ? -0.849  -18.163 28.146 1.00 1.00 ? 36  PRO A CA  1 
ATOM 235 C C   . PRO A 1 36  ? -1.162  -18.545 29.595 1.00 1.00 ? 36  PRO A C   1 
ATOM 236 O O   . PRO A 1 36  ? -0.590  -17.982 30.541 1.00 1.00 ? 36  PRO A O   1 
ATOM 237 C CB  . PRO A 1 36  ? 0.615   -18.002 27.867 1.00 1.00 ? 36  PRO A CB  1 
ATOM 238 C CG  . PRO A 1 36  ? 0.909   -16.523 28.050 1.00 1.00 ? 36  PRO A CG  1 
ATOM 239 C CD  . PRO A 1 36  ? -0.387  -15.830 27.633 1.00 1.00 ? 36  PRO A CD  1 
ATOM 240 N N   . VAL A 1 37  ? -2.066  -19.497 29.748 1.00 1.00 ? 37  VAL A N   1 
ATOM 241 C CA  . VAL A 1 37  ? -2.464  -19.953 31.090 1.00 1.00 ? 37  VAL A CA  1 
ATOM 242 C C   . VAL A 1 37  ? -2.419  -21.483 31.147 1.00 1.00 ? 37  VAL A C   1 
ATOM 243 O O   . VAL A 1 37  ? -2.328  -22.158 30.109 1.00 1.00 ? 37  VAL A O   1 
ATOM 244 C CB  . VAL A 1 37  ? -3.860  -19.438 31.415 1.00 1.00 ? 37  VAL A CB  1 
ATOM 245 C CG1 . VAL A 1 37  ? -4.437  -19.929 32.767 1.00 1.00 ? 37  VAL A CG1 1 
ATOM 246 C CG2 . VAL A 1 37  ? -3.964  -17.941 31.256 1.00 1.00 ? 37  VAL A CG2 1 
ATOM 247 N N   . GLY A 1 38  ? -2.480  -22.008 32.360 1.00 1.00 ? 38  GLY A N   1 
ATOM 248 C CA  . GLY A 1 38  ? -2.441  -23.466 32.558 1.00 1.00 ? 38  GLY A CA  1 
ATOM 249 C C   . GLY A 1 38  ? -1.653  -24.118 31.418 1.00 1.00 ? 38  GLY A C   1 
ATOM 250 O O   . GLY A 1 38  ? -1.768  -25.330 31.175 1.00 1.00 ? 38  GLY A O   1 
ATOM 251 N N   . GLY A 1 39  ? -0.865  -23.306 30.738 1.00 1.00 ? 39  GLY A N   1 
ATOM 252 C CA  . GLY A 1 39  ? -0.058  -23.804 29.615 1.00 1.00 ? 39  GLY A CA  1 
ATOM 253 C C   . GLY A 1 39  ? -0.886  -23.761 28.328 1.00 1.00 ? 39  GLY A C   1 
ATOM 254 O O   . GLY A 1 39  ? -0.454  -24.256 27.275 1.00 1.00 ? 39  GLY A O   1 
ATOM 255 N N   . GLN A 1 40  ? -2.063  -23.173 28.433 1.00 1.00 ? 40  GLN A N   1 
ATOM 256 C CA  . GLN A 1 40  ? -2.961  -23.069 27.273 1.00 1.00 ? 40  GLN A CA  1 
ATOM 257 C C   . GLN A 1 40  ? -3.150  -21.596 26.899 1.00 1.00 ? 40  GLN A C   1 
ATOM 258 O O   . GLN A 1 40  ? -2.663  -20.693 27.597 1.00 1.00 ? 40  GLN A O   1 
ATOM 259 C CB  . GLN A 1 40  ? -4.264  -23.736 27.621 1.00 1.00 ? 40  GLN A CB  1 
ATOM 260 C CG  . GLN A 1 40  ? -4.109  -25.135 28.035 1.00 1.00 ? 40  GLN A CG  1 
ATOM 261 C CD  . GLN A 1 40  ? -5.373  -26.000 27.896 1.00 1.00 ? 40  GLN A CD  1 
ATOM 262 O OE1 . GLN A 1 40  ? -5.522  -26.680 26.839 1.00 1.00 ? 40  GLN A OE1 1 
ATOM 263 N NE2 . GLN A 1 40  ? -6.246  -25.943 28.826 1.00 1.00 ? 40  GLN A NE2 1 
ATOM 264 N N   . ASP A 1 41  ? -3.854  -21.377 25.805 1.00 1.00 ? 41  ASP A N   1 
ATOM 265 C CA  . ASP A 1 41  ? -4.107  -20.010 25.332 1.00 1.00 ? 41  ASP A CA  1 
ATOM 266 C C   . ASP A 1 41  ? -5.591  -19.673 25.494 1.00 1.00 ? 41  ASP A C   1 
ATOM 267 O O   . ASP A 1 41  ? -6.436  -20.135 24.715 1.00 1.00 ? 41  ASP A O   1 
ATOM 268 C CB  . ASP A 1 41  ? -3.667  -19.880 23.854 1.00 1.00 ? 41  ASP A CB  1 
ATOM 269 C CG  . ASP A 1 41  ? -2.190  -19.593 23.740 1.00 1.00 ? 41  ASP A CG  1 
ATOM 270 O OD1 . ASP A 1 41  ? -1.309  -20.247 24.272 1.00 1.00 ? 41  ASP A OD1 1 
ATOM 271 O OD2 . ASP A 1 41  ? -1.893  -18.678 23.016 1.00 1.00 ? 41  ASP A OD2 1 
ATOM 272 N N   . ALA A 1 42  ? -5.881  -18.874 26.506 1.00 1.00 ? 42  ALA A N   1 
ATOM 273 C CA  . ALA A 1 42  ? -7.269  -18.478 26.779 1.00 1.00 ? 42  ALA A CA  1 
ATOM 274 C C   . ALA A 1 42  ? -7.568  -17.145 26.087 1.00 1.00 ? 42  ALA A C   1 
ATOM 275 O O   . ALA A 1 42  ? -7.057  -16.089 26.489 1.00 1.00 ? 42  ALA A O   1 
ATOM 276 C CB  . ALA A 1 42  ? -7.449  -18.226 28.285 1.00 1.00 ? 42  ALA A CB  1 
ATOM 277 N N   . CYS A 1 43  ? -8.390  -17.215 25.056 1.00 1.00 ? 43  CYS A N   1 
ATOM 278 C CA  . CYS A 1 43  ? -8.755  -16.010 24.298 1.00 1.00 ? 43  CYS A CA  1 
ATOM 279 C C   . CYS A 1 43  ? -10.255 -15.746 24.445 1.00 1.00 ? 43  CYS A C   1 
ATOM 280 O O   . CYS A 1 43  ? -11.028 -16.637 24.822 1.00 1.00 ? 43  CYS A O   1 
ATOM 281 C CB  . CYS A 1 43  ? -8.288  -16.089 22.865 1.00 1.00 ? 43  CYS A CB  1 
ATOM 282 S SG  . CYS A 1 43  ? -6.685  -16.907 22.584 1.00 1.00 ? 43  CYS A SG  1 
ATOM 283 N N   . ASN A 1 44  ? -10.645 -14.521 24.143 1.00 1.00 ? 44  ASN A N   1 
ATOM 284 C CA  . ASN A 1 44  ? -12.060 -14.132 24.246 1.00 1.00 ? 44  ASN A CA  1 
ATOM 285 C C   . ASN A 1 44  ? -12.818 -14.617 23.008 1.00 1.00 ? 44  ASN A C   1 
ATOM 286 O O   . ASN A 1 44  ? -12.720 -14.018 21.926 1.00 1.00 ? 44  ASN A O   1 
ATOM 287 C CB  . ASN A 1 44  ? -12.168 -12.597 24.395 1.00 1.00 ? 44  ASN A CB  1 
ATOM 288 C CG  . ASN A 1 44  ? -13.585 -12.173 24.687 1.00 1.00 ? 44  ASN A CG  1 
ATOM 289 O OD1 . ASN A 1 44  ? -14.527 -12.935 24.823 1.00 1.00 ? 44  ASN A OD1 1 
ATOM 290 N ND2 . ASN A 1 44  ? -13.774 -10.808 24.873 1.00 1.00 ? 44  ASN A ND2 1 
ATOM 291 N N   . PRO A 1 45  ? -13.561 -15.694 23.184 1.00 1.00 ? 45  PRO A N   1 
ATOM 292 C CA  . PRO A 1 45  ? -14.336 -16.263 22.075 1.00 1.00 ? 45  PRO A CA  1 
ATOM 293 C C   . PRO A 1 45  ? -15.289 -15.209 21.513 1.00 1.00 ? 45  PRO A C   1 
ATOM 294 O O   . PRO A 1 45  ? -16.411 -15.525 21.086 1.00 1.00 ? 45  PRO A O   1 
ATOM 295 C CB  . PRO A 1 45  ? -15.037 -17.437 22.686 1.00 1.00 ? 45  PRO A CB  1 
ATOM 296 C CG  . PRO A 1 45  ? -15.153 -17.124 24.167 1.00 1.00 ? 45  PRO A CG  1 
ATOM 297 C CD  . PRO A 1 45  ? -13.913 -16.284 24.469 1.00 1.00 ? 45  PRO A CD  1 
ATOM 298 N N   . ALA A 1 46  ? -14.828 -13.970 21.521 1.00 1.00 ? 46  ALA A N   1 
ATOM 299 C CA  . ALA A 1 46  ? -15.641 -12.863 21.015 1.00 1.00 ? 46  ALA A CA  1 
ATOM 300 C C   . ALA A 1 46  ? -14.774 -11.936 20.159 1.00 1.00 ? 46  ALA A C   1 
ATOM 301 O O   . ALA A 1 46  ? -14.123 -12.380 19.199 1.00 1.00 ? 46  ALA A O   1 
ATOM 302 C CB  . ALA A 1 46  ? -16.145 -12.005 22.193 1.00 1.00 ? 46  ALA A CB  1 
ATOM 303 N N   . THR A 1 47  ? -14.779 -10.663 20.517 1.00 1.00 ? 47  THR A N   1 
ATOM 304 C CA  . THR A 1 47  ? -13.995 -9.665  19.774 1.00 1.00 ? 47  THR A CA  1 
ATOM 305 C C   . THR A 1 47  ? -13.101 -10.371 18.751 1.00 1.00 ? 47  THR A C   1 
ATOM 306 O O   . THR A 1 47  ? -12.439 -9.722  17.927 1.00 1.00 ? 47  THR A O   1 
ATOM 307 C CB  . THR A 1 47  ? -13.190 -8.852  20.808 1.00 1.00 ? 47  THR A CB  1 
ATOM 308 O OG1 . THR A 1 47  ? -11.935 -8.630  20.170 1.00 1.00 ? 47  THR A OG1 1 
ATOM 309 C CG2 . THR A 1 47  ? -12.998 -9.596  22.103 1.00 1.00 ? 47  THR A CG2 1 
ATOM 310 N N   . ALA A 1 48  ? -13.093 -11.690 18.821 1.00 1.00 ? 48  ALA A N   1 
ATOM 311 C CA  . ALA A 1 48  ? -12.272 -12.489 17.901 1.00 1.00 ? 48  ALA A CA  1 
ATOM 312 C C   . ALA A 1 48  ? -13.056 -12.760 16.615 1.00 1.00 ? 48  ALA A C   1 
ATOM 313 O O   . ALA A 1 48  ? -14.055 -13.496 16.620 1.00 1.00 ? 48  ALA A O   1 
ATOM 314 C CB  . ALA A 1 48  ? -11.985 -13.867 18.526 1.00 1.00 ? 48  ALA A CB  1 
ATOM 315 N N   . THR A 1 49  ? -12.595 -12.160 15.535 1.00 1.00 ? 49  THR A N   1 
ATOM 316 C CA  . THR A 1 49  ? -13.259 -12.331 14.236 1.00 1.00 ? 49  THR A CA  1 
ATOM 317 C C   . THR A 1 49  ? -12.213 -12.627 13.158 1.00 1.00 ? 49  THR A C   1 
ATOM 318 O O   . THR A 1 49  ? -11.134 -13.167 13.449 1.00 1.00 ? 49  THR A O   1 
ATOM 319 C CB  . THR A 1 49  ? -14.056 -11.041 13.954 1.00 1.00 ? 49  THR A CB  1 
ATOM 320 O OG1 . THR A 1 49  ? -14.790 -11.338 12.769 1.00 1.00 ? 49  THR A OG1 1 
ATOM 321 C CG2 . THR A 1 49  ? -13.163 -9.847  13.736 1.00 1.00 ? 49  THR A CG2 1 
ATOM 322 N N   . SER A 1 50  ? -12.546 -12.267 11.932 1.00 1.00 ? 50  SER A N   1 
ATOM 323 C CA  . SER A 1 50  ? -11.633 -12.499 10.802 1.00 1.00 ? 50  SER A CA  1 
ATOM 324 C C   . SER A 1 50  ? -11.580 -11.251 9.922  1.00 1.00 ? 50  SER A C   1 
ATOM 325 O O   . SER A 1 50  ? -12.512 -10.431 9.920  1.00 1.00 ? 50  SER A O   1 
ATOM 326 C CB  . SER A 1 50  ? -12.090 -13.691 9.990  1.00 1.00 ? 50  SER A CB  1 
ATOM 327 O OG  . SER A 1 50  ? -13.509 -13.821 9.982  1.00 1.00 ? 50  SER A OG  1 
ATOM 328 N N   . PHE A 1 51  ? -10.492 -11.123 9.185  1.00 1.00 ? 51  PHE A N   1 
ATOM 329 C CA  . PHE A 1 51  ? -10.313 -9.966  8.295  1.00 1.00 ? 51  PHE A CA  1 
ATOM 330 C C   . PHE A 1 51  ? -9.439  -10.365 7.103  1.00 1.00 ? 51  PHE A C   1 
ATOM 331 O O   . PHE A 1 51  ? -8.742  -11.390 7.139  1.00 1.00 ? 51  PHE A O   1 
ATOM 332 C CB  . PHE A 1 51  ? -9.690  -8.822  9.077  1.00 1.00 ? 51  PHE A CB  1 
ATOM 333 C CG  . PHE A 1 51  ? -8.245  -9.019  9.438  1.00 1.00 ? 51  PHE A CG  1 
ATOM 334 C CD1 . PHE A 1 51  ? -7.288  -8.673  8.542  1.00 1.00 ? 51  PHE A CD1 1 
ATOM 335 C CD2 . PHE A 1 51  ? -7.860  -9.464  10.674 1.00 1.00 ? 51  PHE A CD2 1 
ATOM 336 C CE1 . PHE A 1 51  ? -5.899  -8.820  8.830  1.00 1.00 ? 51  PHE A CE1 1 
ATOM 337 C CE2 . PHE A 1 51  ? -6.457  -9.566  10.970 1.00 1.00 ? 51  PHE A CE2 1 
ATOM 338 C CZ  . PHE A 1 51  ? -5.524  -9.279  10.050 1.00 1.00 ? 51  PHE A CZ  1 
ATOM 339 N N   . THR A 1 52  ? -9.491  -9.549  6.065  1.00 1.00 ? 52  THR A N   1 
ATOM 340 C CA  . THR A 1 52  ? -8.705  -9.819  4.852  1.00 1.00 ? 52  THR A CA  1 
ATOM 341 C C   . THR A 1 52  ? -8.002  -8.536  4.398  1.00 1.00 ? 52  THR A C   1 
ATOM 342 O O   . THR A 1 52  ? -8.574  -7.437  4.470  1.00 1.00 ? 52  THR A O   1 
ATOM 343 C CB  . THR A 1 52  ? -9.676  -10.374 3.790  1.00 1.00 ? 52  THR A CB  1 
ATOM 344 O OG1 . THR A 1 52  ? -10.158 -9.213  3.120  1.00 1.00 ? 52  THR A OG1 1 
ATOM 345 C CG2 . THR A 1 52  ? -10.819 -11.144 4.399  1.00 1.00 ? 52  THR A CG2 1 
ATOM 346 N N   . THR A 1 53  ? -6.775  -8.694  3.938  1.00 1.00 ? 53  THR A N   1 
ATOM 347 C CA  . THR A 1 53  ? -5.987  -7.542  3.474  1.00 1.00 ? 53  THR A CA  1 
ATOM 348 C C   . THR A 1 53  ? -6.342  -7.228  2.019  1.00 1.00 ? 53  THR A C   1 
ATOM 349 O O   . THR A 1 53  ? -7.021  -8.017  1.345  1.00 1.00 ? 53  THR A O   1 
ATOM 350 C CB  . THR A 1 53  ? -4.501  -7.900  3.659  1.00 1.00 ? 53  THR A CB  1 
ATOM 351 O OG1 . THR A 1 53  ? -4.371  -9.174  3.033  1.00 1.00 ? 53  THR A OG1 1 
ATOM 352 C CG2 . THR A 1 53  ? -4.104  -7.984  5.110  1.00 1.00 ? 53  THR A CG2 1 
ATOM 353 N N   . ASP A 1 54  ? -5.879  -6.080  1.557  1.00 1.00 ? 54  ASP A N   1 
ATOM 354 C CA  . ASP A 1 54  ? -6.151  -5.654  0.176  1.00 1.00 ? 54  ASP A CA  1 
ATOM 355 C C   . ASP A 1 54  ? -4.967  -6.013  -0.717 1.00 1.00 ? 54  ASP A C   1 
ATOM 356 O O   . ASP A 1 54  ? -3.984  -6.617  -0.260 1.00 1.00 ? 54  ASP A O   1 
ATOM 357 C CB  . ASP A 1 54  ? -6.429  -4.134  0.144  1.00 1.00 ? 54  ASP A CB  1 
ATOM 358 C CG  . ASP A 1 54  ? -5.640  -3.409  1.201  1.00 1.00 ? 54  ASP A CG  1 
ATOM 359 O OD1 . ASP A 1 54  ? -4.484  -3.046  1.079  1.00 1.00 ? 54  ASP A OD1 1 
ATOM 360 O OD2 . ASP A 1 54  ? -6.241  -3.134  2.203  1.00 1.00 ? 54  ASP A OD2 1 
ATOM 361 N N   . ALA A 1 55  ? -5.073  -5.637  -1.979 1.00 1.00 ? 55  ALA A N   1 
ATOM 362 C CA  . ALA A 1 55  ? -4.002  -5.925  -2.947 1.00 1.00 ? 55  ALA A CA  1 
ATOM 363 C C   . ALA A 1 55  ? -2.640  -5.637  -2.309 1.00 1.00 ? 55  ALA A C   1 
ATOM 364 O O   . ALA A 1 55  ? -1.589  -5.999  -2.860 1.00 1.00 ? 55  ALA A O   1 
ATOM 365 C CB  . ALA A 1 55  ? -4.123  -4.974  -4.149 1.00 1.00 ? 55  ALA A CB  1 
ATOM 366 N N   . SER A 1 56  ? -2.678  -4.989  -1.159 1.00 1.00 ? 56  SER A N   1 
ATOM 367 C CA  . SER A 1 56  ? -1.441  -4.645  -0.442 1.00 1.00 ? 56  SER A CA  1 
ATOM 368 C C   . SER A 1 56  ? -1.443  -5.307  0.937  1.00 1.00 ? 56  SER A C   1 
ATOM 369 O O   . SER A 1 56  ? -0.562  -6.121  1.254  1.00 1.00 ? 56  SER A O   1 
ATOM 370 C CB  . SER A 1 56  ? -1.313  -3.143  -0.295 1.00 1.00 ? 56  SER A CB  1 
ATOM 371 O OG  . SER A 1 56  ? -2.269  -2.614  0.620  1.00 1.00 ? 56  SER A OG  1 
ATOM 372 N N   . GLY A 1 57  ? -2.431  -4.949  1.736  1.00 1.00 ? 57  GLY A N   1 
ATOM 373 C CA  . GLY A 1 57  ? -2.548  -5.506  3.090  1.00 1.00 ? 57  GLY A CA  1 
ATOM 374 C C   . GLY A 1 57  ? -2.457  -4.377  4.120  1.00 1.00 ? 57  GLY A C   1 
ATOM 375 O O   . GLY A 1 57  ? -2.499  -3.189  3.768  1.00 1.00 ? 57  GLY A O   1 
ATOM 376 N N   . ALA A 1 58  ? -2.336  -4.765  5.377  1.00 1.00 ? 58  ALA A N   1 
ATOM 377 C CA  . ALA A 1 58  ? -2.245  -3.780  6.467  1.00 1.00 ? 58  ALA A CA  1 
ATOM 378 C C   . ALA A 1 58  ? -3.647  -3.470  6.998  1.00 1.00 ? 58  ALA A C   1 
ATOM 379 O O   . ALA A 1 58  ? -3.802  -2.867  8.071  1.00 1.00 ? 58  ALA A O   1 
ATOM 380 C CB  . ALA A 1 58  ? -1.690  -2.454  5.920  1.00 1.00 ? 58  ALA A CB  1 
ATOM 381 N N   . ALA A 1 59  ? -4.645  -3.886  6.241  1.00 1.00 ? 59  ALA A N   1 
ATOM 382 C CA  . ALA A 1 59  ? -6.039  -3.648  6.634  1.00 1.00 ? 59  ALA A CA  1 
ATOM 383 C C   . ALA A 1 59  ? -6.078  -2.807  7.912  1.00 1.00 ? 59  ALA A C   1 
ATOM 384 O O   . ALA A 1 59  ? -5.094  -2.739  8.659  1.00 1.00 ? 59  ALA A O   1 
ATOM 385 C CB  . ALA A 1 59  ? -6.715  -4.986  6.979  1.00 1.00 ? 59  ALA A CB  1 
ATOM 386 N N   . SER A 1 60  ? -7.218  -2.179  8.143  1.00 1.00 ? 60  SER A N   1 
ATOM 387 C CA  . SER A 1 60  ? -7.387  -1.334  9.336  1.00 1.00 ? 60  SER A CA  1 
ATOM 388 C C   . SER A 1 60  ? -8.812  -1.484  9.874  1.00 1.00 ? 60  SER A C   1 
ATOM 389 O O   . SER A 1 60  ? -9.794  -1.261  9.150  1.00 1.00 ? 60  SER A O   1 
ATOM 390 C CB  . SER A 1 60  ? -7.112  0.118   9.000  1.00 1.00 ? 60  SER A CB  1 
ATOM 391 O OG  . SER A 1 60  ? -5.724  0.431   9.081  1.00 1.00 ? 60  SER A OG  1 
ATOM 392 N N   . PHE A 1 61  ? -8.903  -1.859  11.134 1.00 1.00 ? 61  PHE A N   1 
ATOM 393 C CA  . PHE A 1 61  ? -10.214 -2.047  11.774 1.00 1.00 ? 61  PHE A CA  1 
ATOM 394 C C   . PHE A 1 61  ? -10.116 -1.693  13.260 1.00 1.00 ? 61  PHE A C   1 
ATOM 395 O O   . PHE A 1 61  ? -9.056  -1.268  13.745 1.00 1.00 ? 61  PHE A O   1 
ATOM 396 C CB  . PHE A 1 61  ? -10.670 -3.481  11.576 1.00 1.00 ? 61  PHE A CB  1 
ATOM 397 C CG  . PHE A 1 61  ? -9.657  -4.523  11.962 1.00 1.00 ? 61  PHE A CG  1 
ATOM 398 C CD1 . PHE A 1 61  ? -8.687  -4.859  11.078 1.00 1.00 ? 61  PHE A CD1 1 
ATOM 399 C CD2 . PHE A 1 61  ? -9.638  -5.087  13.213 1.00 1.00 ? 61  PHE A CD2 1 
ATOM 400 C CE1 . PHE A 1 61  ? -7.688  -5.828  11.389 1.00 1.00 ? 61  PHE A CE1 1 
ATOM 401 C CE2 . PHE A 1 61  ? -8.600  -6.031  13.532 1.00 1.00 ? 61  PHE A CE2 1 
ATOM 402 C CZ  . PHE A 1 61  ? -7.681  -6.401  12.619 1.00 1.00 ? 61  PHE A CZ  1 
ATOM 403 N N   . SER A 1 62  ? -11.222 -1.873  13.960 1.00 1.00 ? 62  SER A N   1 
ATOM 404 C CA  . SER A 1 62  ? -11.265 -1.566  15.398 1.00 1.00 ? 62  SER A CA  1 
ATOM 405 C C   . SER A 1 62  ? -11.499 -2.855  16.190 1.00 1.00 ? 62  SER A C   1 
ATOM 406 O O   . SER A 1 62  ? -12.184 -3.777  15.724 1.00 1.00 ? 62  SER A O   1 
ATOM 407 C CB  . SER A 1 62  ? -12.365 -0.569  15.696 1.00 1.00 ? 62  SER A CB  1 
ATOM 408 O OG  . SER A 1 62  ? -12.154 0.673   15.032 1.00 1.00 ? 62  SER A OG  1 
ATOM 409 N N   . PHE A 1 63  ? -10.926 -2.898  17.380 1.00 1.00 ? 63  PHE A N   1 
ATOM 410 C CA  . PHE A 1 63  ? -11.067 -4.080  18.244 1.00 1.00 ? 63  PHE A CA  1 
ATOM 411 C C   . PHE A 1 63  ? -11.235 -3.638  19.699 1.00 1.00 ? 63  PHE A C   1 
ATOM 412 O O   . PHE A 1 63  ? -10.489 -2.779  20.194 1.00 1.00 ? 63  PHE A O   1 
ATOM 413 C CB  . PHE A 1 63  ? -9.849  -4.973  18.075 1.00 1.00 ? 63  PHE A CB  1 
ATOM 414 C CG  . PHE A 1 63  ? -9.979  -6.340  18.686 1.00 1.00 ? 63  PHE A CG  1 
ATOM 415 C CD1 . PHE A 1 63  ? -10.233 -7.402  17.881 1.00 1.00 ? 63  PHE A CD1 1 
ATOM 416 C CD2 . PHE A 1 63  ? -9.770  -6.559  20.024 1.00 1.00 ? 63  PHE A CD2 1 
ATOM 417 C CE1 . PHE A 1 63  ? -10.352 -8.725  18.398 1.00 1.00 ? 63  PHE A CE1 1 
ATOM 418 C CE2 . PHE A 1 63  ? -9.849  -7.903  20.529 1.00 1.00 ? 63  PHE A CE2 1 
ATOM 419 C CZ  . PHE A 1 63  ? -10.165 -8.938  19.725 1.00 1.00 ? 63  PHE A CZ  1 
ATOM 420 N N   . THR A 1 64  A -12.213 -4.228  20.363 1.00 1.00 ? 63  THR A N   1 
ATOM 421 C CA  . THR A 1 64  A -12.487 -3.888  21.768 1.00 1.00 ? 63  THR A CA  1 
ATOM 422 C C   . THR A 1 64  A -11.940 -4.991  22.679 1.00 1.00 ? 63  THR A C   1 
ATOM 423 O O   . THR A 1 64  A -12.316 -6.166  22.553 1.00 1.00 ? 63  THR A O   1 
ATOM 424 C CB  . THR A 1 64  A -14.011 -3.706  21.907 1.00 1.00 ? 63  THR A CB  1 
ATOM 425 O OG1 . THR A 1 64  A -14.517 -5.038  21.967 1.00 1.00 ? 63  THR A OG1 1 
ATOM 426 C CG2 . THR A 1 64  A -14.612 -2.967  20.739 1.00 1.00 ? 63  THR A CG2 1 
ATOM 427 N N   . VAL A 1 65  ? -11.060 -4.595  23.583 1.00 1.00 ? 64  VAL A N   1 
ATOM 428 C CA  . VAL A 1 65  ? -10.453 -5.554  24.518 1.00 1.00 ? 64  VAL A CA  1 
ATOM 429 C C   . VAL A 1 65  ? -11.193 -5.508  25.857 1.00 1.00 ? 64  VAL A C   1 
ATOM 430 O O   . VAL A 1 65  ? -12.108 -4.692  26.052 1.00 1.00 ? 64  VAL A O   1 
ATOM 431 C CB  . VAL A 1 65  ? -8.975  -5.229  24.700 1.00 1.00 ? 64  VAL A CB  1 
ATOM 432 C CG1 . VAL A 1 65  ? -8.569  -3.790  24.295 1.00 1.00 ? 64  VAL A CG1 1 
ATOM 433 C CG2 . VAL A 1 65  ? -8.477  -5.603  26.073 1.00 1.00 ? 64  VAL A CG2 1 
ATOM 434 N N   . ARG A 1 66  ? -10.788 -6.383  26.760 1.00 1.00 ? 65  ARG A N   1 
ATOM 435 C CA  . ARG A 1 66  ? -11.419 -6.450  28.087 1.00 1.00 ? 65  ARG A CA  1 
ATOM 436 C C   . ARG A 1 66  ? -10.351 -6.709  29.153 1.00 1.00 ? 65  ARG A C   1 
ATOM 437 O O   . ARG A 1 66  ? -9.358  -7.409  28.903 1.00 1.00 ? 65  ARG A O   1 
ATOM 438 C CB  . ARG A 1 66  ? -12.483 -7.565  28.151 1.00 1.00 ? 65  ARG A CB  1 
ATOM 439 C CG  . ARG A 1 66  ? -13.598 -7.443  27.093 1.00 1.00 ? 65  ARG A CG  1 
ATOM 440 C CD  . ARG A 1 66  ? -14.819 -6.774  27.696 1.00 1.00 ? 65  ARG A CD  1 
ATOM 441 N NE  . ARG A 1 66  ? -15.882 -7.757  27.966 1.00 1.00 ? 65  ARG A NE  1 
ATOM 442 C CZ  . ARG A 1 66  ? -16.402 -7.966  29.194 1.00 1.00 ? 65  ARG A CZ  1 
ATOM 443 N NH1 . ARG A 1 66  ? -15.858 -7.392  30.279 1.00 1.00 ? 65  ARG A NH1 1 
ATOM 444 N NH2 . ARG A 1 66  ? -17.462 -8.743  29.315 1.00 1.00 ? 65  ARG A NH2 1 
ATOM 445 N N   . LYS A 1 67  ? -10.570 -6.139  30.326 1.00 1.00 ? 66  LYS A N   1 
ATOM 446 C CA  . LYS A 1 67  ? -9.620  -6.304  31.438 1.00 1.00 ? 66  LYS A CA  1 
ATOM 447 C C   . LYS A 1 67  ? -9.695  -7.737  31.972 1.00 1.00 ? 66  LYS A C   1 
ATOM 448 O O   . LYS A 1 67  ? -8.680  -8.314  32.392 1.00 1.00 ? 66  LYS A O   1 
ATOM 449 C CB  . LYS A 1 67  ? -9.911  -5.324  32.569 1.00 1.00 ? 66  LYS A CB  1 
ATOM 450 C CG  . LYS A 1 67  ? -8.780  -5.155  33.565 1.00 1.00 ? 66  LYS A CG  1 
ATOM 451 C CD  . LYS A 1 67  ? -9.160  -4.161  34.658 1.00 1.00 ? 66  LYS A CD  1 
ATOM 452 C CE  . LYS A 1 67  ? -8.298  -2.908  34.599 1.00 1.00 ? 66  LYS A CE  1 
ATOM 453 N NZ  . LYS A 1 67  ? -7.332  -2.880  35.720 1.00 1.00 ? 66  LYS A NZ  1 
ATOM 454 N N   . SER A 1 68  ? -10.895 -8.288  31.949 1.00 1.00 ? 67  SER A N   1 
ATOM 455 C CA  . SER A 1 68  ? -11.107 -9.659  32.440 1.00 1.00 ? 67  SER A CA  1 
ATOM 456 C C   . SER A 1 68  ? -12.213 -10.332 31.624 1.00 1.00 ? 67  SER A C   1 
ATOM 457 O O   . SER A 1 68  ? -13.228 -9.703  31.287 1.00 1.00 ? 67  SER A O   1 
ATOM 458 C CB  . SER A 1 68  ? -11.483 -9.647  33.906 1.00 1.00 ? 67  SER A CB  1 
ATOM 459 O OG  . SER A 1 68  ? -12.855 -9.318  34.101 1.00 1.00 ? 67  SER A OG  1 
ATOM 460 N N   . TYR A 1 69  ? -11.999 -11.598 31.318 1.00 1.00 ? 68  TYR A N   1 
ATOM 461 C CA  . TYR A 1 69  ? -12.979 -12.361 30.533 1.00 1.00 ? 68  TYR A CA  1 
ATOM 462 C C   . TYR A 1 69  ? -12.827 -13.855 30.829 1.00 1.00 ? 68  TYR A C   1 
ATOM 463 O O   . TYR A 1 69  ? -11.904 -14.272 31.546 1.00 1.00 ? 68  TYR A O   1 
ATOM 464 C CB  . TYR A 1 69  ? -12.773 -12.051 29.037 1.00 1.00 ? 68  TYR A CB  1 
ATOM 465 C CG  . TYR A 1 69  ? -11.359 -12.401 28.544 1.00 1.00 ? 68  TYR A CG  1 
ATOM 466 C CD1 . TYR A 1 69  ? -11.167 -13.651 27.921 1.00 1.00 ? 68  TYR A CD1 1 
ATOM 467 C CD2 . TYR A 1 69  ? -10.294 -11.569 28.764 1.00 1.00 ? 68  TYR A CD2 1 
ATOM 468 C CE1 . TYR A 1 69  ? -9.827  -13.998 27.459 1.00 1.00 ? 68  TYR A CE1 1 
ATOM 469 C CE2 . TYR A 1 69  ? -8.978  -11.901 28.317 1.00 1.00 ? 68  TYR A CE2 1 
ATOM 470 C CZ  . TYR A 1 69  ? -8.805  -13.150 27.704 1.00 1.00 ? 68  TYR A CZ  1 
ATOM 471 O OH  . TYR A 1 69  ? -7.533  -13.490 27.290 1.00 1.00 ? 68  TYR A OH  1 
ATOM 472 N N   . ALA A 1 70  ? -13.734 -14.638 30.275 1.00 1.00 ? 69  ALA A N   1 
ATOM 473 C CA  . ALA A 1 70  ? -13.705 -16.090 30.485 1.00 1.00 ? 69  ALA A CA  1 
ATOM 474 C C   . ALA A 1 70  ? -12.670 -16.723 29.554 1.00 1.00 ? 69  ALA A C   1 
ATOM 475 O O   . ALA A 1 70  ? -12.679 -16.487 28.336 1.00 1.00 ? 69  ALA A O   1 
ATOM 476 C CB  . ALA A 1 70  ? -15.064 -16.694 30.089 1.00 1.00 ? 69  ALA A CB  1 
ATOM 477 N N   . GLY A 1 71  ? -11.791 -17.519 30.140 1.00 1.00 ? 70  GLY A N   1 
ATOM 478 C CA  . GLY A 1 71  ? -10.737 -18.187 29.362 1.00 1.00 ? 70  GLY A CA  1 
ATOM 479 C C   . GLY A 1 71  ? -11.375 -19.112 28.323 1.00 1.00 ? 70  GLY A C   1 
ATOM 480 O O   . GLY A 1 71  ? -12.521 -19.559 28.485 1.00 1.00 ? 70  GLY A O   1 
ATOM 481 N N   . GLN A 1 72  ? -10.627 -19.383 27.270 1.00 1.00 ? 71  GLN A N   1 
ATOM 482 C CA  . GLN A 1 72  ? -11.123 -20.255 26.194 1.00 1.00 ? 71  GLN A CA  1 
ATOM 483 C C   . GLN A 1 72  ? -10.084 -20.326 25.073 1.00 1.00 ? 71  GLN A C   1 
ATOM 484 O O   . GLN A 1 72  ? -9.858  -19.343 24.351 1.00 1.00 ? 71  GLN A O   1 
ATOM 485 C CB  . GLN A 1 72  ? -12.439 -19.706 25.714 1.00 1.00 ? 71  GLN A CB  1 
ATOM 486 C CG  . GLN A 1 72  ? -13.522 -20.699 25.719 1.00 1.00 ? 71  GLN A CG  1 
ATOM 487 C CD  . GLN A 1 72  ? -14.943 -20.113 25.741 1.00 1.00 ? 71  GLN A CD  1 
ATOM 488 O OE1 . GLN A 1 72  ? -15.185 -19.154 26.533 1.00 1.00 ? 71  GLN A OE1 1 
ATOM 489 N NE2 . GLN A 1 72  ? -15.834 -20.662 25.005 1.00 1.00 ? 71  GLN A NE2 1 
ATOM 490 N N   . THR A 1 73  ? -9.467  -21.488 24.946 1.00 1.00 ? 72  THR A N   1 
ATOM 491 C CA  . THR A 1 73  ? -8.440  -21.689 23.913 1.00 1.00 ? 72  THR A CA  1 
ATOM 492 C C   . THR A 1 73  ? -9.106  -21.775 22.539 1.00 1.00 ? 72  THR A C   1 
ATOM 493 O O   . THR A 1 73  ? -10.333 -21.926 22.433 1.00 1.00 ? 72  THR A O   1 
ATOM 494 C CB  . THR A 1 73  ? -7.664  -22.970 24.278 1.00 1.00 ? 72  THR A CB  1 
ATOM 495 O OG1 . THR A 1 73  ? -8.667  -23.982 24.319 1.00 1.00 ? 72  THR A OG1 1 
ATOM 496 C CG2 . THR A 1 73  ? -6.968  -22.863 25.608 1.00 1.00 ? 72  THR A CG2 1 
ATOM 497 N N   . PRO A 1 74  ? -8.290  -21.675 21.505 1.00 1.00 ? 73  PRO A N   1 
ATOM 498 C CA  . PRO A 1 74  ? -8.801  -21.733 20.129 1.00 1.00 ? 73  PRO A CA  1 
ATOM 499 C C   . PRO A 1 74  ? -9.556  -23.047 19.918 1.00 1.00 ? 73  PRO A C   1 
ATOM 500 O O   . PRO A 1 74  ? -10.536 -23.104 19.159 1.00 1.00 ? 73  PRO A O   1 
ATOM 501 C CB  . PRO A 1 74  ? -7.577  -21.603 19.276 1.00 1.00 ? 73  PRO A CB  1 
ATOM 502 C CG  . PRO A 1 74  ? -6.424  -22.104 20.128 1.00 1.00 ? 73  PRO A CG  1 
ATOM 503 C CD  . PRO A 1 74  ? -6.834  -21.747 21.556 1.00 1.00 ? 73  PRO A CD  1 
ATOM 504 N N   . SER A 1 75  ? -9.090  -24.084 20.594 1.00 1.00 ? 74  SER A N   1 
ATOM 505 C CA  . SER A 1 75  ? -9.721  -25.408 20.478 1.00 1.00 ? 74  SER A CA  1 
ATOM 506 C C   . SER A 1 75  ? -11.235 -25.274 20.660 1.00 1.00 ? 74  SER A C   1 
ATOM 507 O O   . SER A 1 75  ? -12.022 -25.755 19.830 1.00 1.00 ? 74  SER A O   1 
ATOM 508 C CB  . SER A 1 75  ? -9.159  -26.358 21.513 1.00 1.00 ? 74  SER A CB  1 
ATOM 509 O OG  . SER A 1 75  ? -9.176  -27.710 21.063 1.00 1.00 ? 74  SER A OG  1 
ATOM 510 N N   . GLY A 1 76  ? -11.621 -24.624 21.745 1.00 1.00 ? 75  GLY A N   1 
ATOM 511 C CA  . GLY A 1 76  ? -13.041 -24.429 22.042 1.00 1.00 ? 75  GLY A CA  1 
ATOM 512 C C   . GLY A 1 76  ? -13.329 -24.851 23.484 1.00 1.00 ? 75  GLY A C   1 
ATOM 513 O O   . GLY A 1 76  ? -14.456 -24.697 23.980 1.00 1.00 ? 75  GLY A O   1 
ATOM 514 N N   . THR A 1 77  ? -12.308 -25.379 24.137 1.00 1.00 ? 76  THR A N   1 
ATOM 515 C CA  . THR A 1 77  ? -12.451 -25.832 25.528 1.00 1.00 ? 76  THR A CA  1 
ATOM 516 C C   . THR A 1 77  ? -12.233 -24.651 26.478 1.00 1.00 ? 76  THR A C   1 
ATOM 517 O O   . THR A 1 77  ? -11.146 -24.054 26.514 1.00 1.00 ? 76  THR A O   1 
ATOM 518 C CB  . THR A 1 77  ? -11.431 -26.970 25.747 1.00 1.00 ? 76  THR A CB  1 
ATOM 519 O OG1 . THR A 1 77  ? -11.024 -26.813 27.101 1.00 1.00 ? 76  THR A OG1 1 
ATOM 520 C CG2 . THR A 1 77  ? -10.245 -26.867 24.824 1.00 1.00 ? 76  THR A CG2 1 
ATOM 521 N N   . PRO A 1 78  ? -13.270 -24.332 27.232 1.00 1.00 ? 77  PRO A N   1 
ATOM 522 C CA  . PRO A 1 78  ? -13.195 -23.214 28.185 1.00 1.00 ? 77  PRO A CA  1 
ATOM 523 C C   . PRO A 1 78  ? -12.042 -23.447 29.164 1.00 1.00 ? 77  PRO A C   1 
ATOM 524 O O   . PRO A 1 78  ? -11.702 -24.597 29.485 1.00 1.00 ? 77  PRO A O   1 
ATOM 525 C CB  . PRO A 1 78  ? -14.544 -23.200 28.836 1.00 1.00 ? 77  PRO A CB  1 
ATOM 526 C CG  . PRO A 1 78  ? -15.074 -24.617 28.722 1.00 1.00 ? 77  PRO A CG  1 
ATOM 527 C CD  . PRO A 1 78  ? -14.472 -25.137 27.418 1.00 1.00 ? 77  PRO A CD  1 
ATOM 528 N N   . VAL A 1 79  ? -11.457 -22.356 29.623 1.00 1.00 ? 78  VAL A N   1 
ATOM 529 C CA  . VAL A 1 79  ? -10.332 -22.439 30.568 1.00 1.00 ? 78  VAL A CA  1 
ATOM 530 C C   . VAL A 1 79  ? -10.743 -21.836 31.912 1.00 1.00 ? 78  VAL A C   1 
ATOM 531 O O   . VAL A 1 79  ? -10.792 -22.535 32.936 1.00 1.00 ? 78  VAL A O   1 
ATOM 532 C CB  . VAL A 1 79  ? -9.122  -21.714 29.991 1.00 1.00 ? 78  VAL A CB  1 
ATOM 533 C CG1 . VAL A 1 79  ? -9.448  -20.680 28.883 1.00 1.00 ? 78  VAL A CG1 1 
ATOM 534 C CG2 . VAL A 1 79  ? -8.238  -21.140 31.068 1.00 1.00 ? 78  VAL A CG2 1 
ATOM 535 N N   . GLY A 1 80  ? -11.030 -20.546 31.893 1.00 1.00 ? 79  GLY A N   1 
ATOM 536 C CA  . GLY A 1 80  ? -11.433 -19.841 33.119 1.00 1.00 ? 79  GLY A CA  1 
ATOM 537 C C   . GLY A 1 80  ? -11.263 -18.333 32.923 1.00 1.00 ? 79  GLY A C   1 
ATOM 538 O O   . GLY A 1 80  ? -10.847 -17.873 31.849 1.00 1.00 ? 79  GLY A O   1 
ATOM 539 N N   . SER A 1 81  ? -11.588 -17.586 33.964 1.00 1.00 ? 80  SER A N   1 
ATOM 540 C CA  . SER A 1 81  ? -11.477 -16.121 33.906 1.00 1.00 ? 80  SER A CA  1 
ATOM 541 C C   . SER A 1 81  ? -10.005 -15.726 33.792 1.00 1.00 ? 80  SER A C   1 
ATOM 542 O O   . SER A 1 81  ? -9.116  -16.403 34.322 1.00 1.00 ? 80  SER A O   1 
ATOM 543 C CB  . SER A 1 81  ? -12.088 -15.498 35.142 1.00 1.00 ? 80  SER A CB  1 
ATOM 544 O OG  . SER A 1 81  ? -11.608 -16.094 36.339 1.00 1.00 ? 80  SER A OG  1 
ATOM 545 N N   . VAL A 1 82  ? -9.770  -14.626 33.101 1.00 1.00 ? 81  VAL A N   1 
ATOM 546 C CA  . VAL A 1 82  ? -8.399  -14.133 32.908 1.00 1.00 ? 81  VAL A CA  1 
ATOM 547 C C   . VAL A 1 82  ? -8.337  -12.641 33.244 1.00 1.00 ? 81  VAL A C   1 
ATOM 548 O O   . VAL A 1 82  ? -9.059  -11.824 32.651 1.00 1.00 ? 81  VAL A O   1 
ATOM 549 C CB  . VAL A 1 82  ? -7.955  -14.387 31.473 1.00 1.00 ? 81  VAL A CB  1 
ATOM 550 C CG1 . VAL A 1 82  ? -6.888  -13.401 30.935 1.00 1.00 ? 81  VAL A CG1 1 
ATOM 551 C CG2 . VAL A 1 82  ? -7.573  -15.826 31.244 1.00 1.00 ? 81  VAL A CG2 1 
ATOM 552 N N   . ASP A 1 83  ? -7.478  -12.305 34.192 1.00 1.00 ? 82  ASP A N   1 
ATOM 553 C CA  . ASP A 1 83  ? -7.326  -10.905 34.615 1.00 1.00 ? 82  ASP A CA  1 
ATOM 554 C C   . ASP A 1 83  ? -6.103  -10.292 33.930 1.00 1.00 ? 82  ASP A C   1 
ATOM 555 O O   . ASP A 1 83  ? -4.959  -10.554 34.322 1.00 1.00 ? 82  ASP A O   1 
ATOM 556 C CB  . ASP A 1 83  ? -7.191  -10.834 36.150 1.00 1.00 ? 82  ASP A CB  1 
ATOM 557 C CG  . ASP A 1 83  ? -7.655  -9.503  36.681 1.00 1.00 ? 82  ASP A CG  1 
ATOM 558 O OD1 . ASP A 1 83  ? -7.172  -8.426  36.377 1.00 1.00 ? 82  ASP A OD1 1 
ATOM 559 O OD2 . ASP A 1 83  ? -8.610  -9.540  37.408 1.00 1.00 ? 82  ASP A OD2 1 
ATOM 560 N N   . CYS A 1 84  ? -6.364  -9.487  32.918 1.00 1.00 ? 83  CYS A N   1 
ATOM 561 C CA  . CYS A 1 84  ? -5.283  -8.839  32.169 1.00 1.00 ? 83  CYS A CA  1 
ATOM 562 C C   . CYS A 1 84  ? -4.431  -7.997  33.122 1.00 1.00 ? 83  CYS A C   1 
ATOM 563 O O   . CYS A 1 84  ? -3.423  -7.399  32.716 1.00 1.00 ? 83  CYS A O   1 
ATOM 564 C CB  . CYS A 1 84  ? -5.805  -8.067  30.981 1.00 1.00 ? 83  CYS A CB  1 
ATOM 565 S SG  . CYS A 1 84  ? -6.554  -9.055  29.648 1.00 1.00 ? 83  CYS A SG  1 
ATOM 566 N N   . ALA A 1 85  ? -4.847  -7.963  34.376 1.00 1.00 ? 84  ALA A N   1 
ATOM 567 C CA  . ALA A 1 85  ? -4.124  -7.187  35.393 1.00 1.00 ? 84  ALA A CA  1 
ATOM 568 C C   . ALA A 1 85  ? -2.955  -8.013  35.934 1.00 1.00 ? 84  ALA A C   1 
ATOM 569 O O   . ALA A 1 85  ? -1.988  -7.465  36.483 1.00 1.00 ? 84  ALA A O   1 
ATOM 570 C CB  . ALA A 1 85  ? -5.047  -6.915  36.592 1.00 1.00 ? 84  ALA A CB  1 
ATOM 571 N N   . THR A 1 86  ? -3.061  -9.320  35.773 1.00 1.00 ? 85  THR A N   1 
ATOM 572 C CA  . THR A 1 86  ? -2.011  -10.230 36.252 1.00 1.00 ? 85  THR A CA  1 
ATOM 573 C C   . THR A 1 86  ? -1.552  -11.135 35.107 1.00 1.00 ? 85  THR A C   1 
ATOM 574 O O   . THR A 1 86  ? -0.352  -11.405 34.951 1.00 1.00 ? 85  THR A O   1 
ATOM 575 C CB  . THR A 1 86  ? -2.596  -11.023 37.438 1.00 1.00 ? 85  THR A CB  1 
ATOM 576 O OG1 . THR A 1 86  ? -1.566  -11.946 37.779 1.00 1.00 ? 85  THR A OG1 1 
ATOM 577 C CG2 . THR A 1 86  ? -3.862  -11.756 37.074 1.00 1.00 ? 85  THR A CG2 1 
ATOM 578 N N   . ASP A 1 87  ? -2.512  -11.590 34.325 1.00 1.00 ? 86  ASP A N   1 
ATOM 579 C CA  . ASP A 1 87  ? -2.209  -12.474 33.190 1.00 1.00 ? 86  ASP A CA  1 
ATOM 580 C C   . ASP A 1 87  ? -1.625  -11.651 32.040 1.00 1.00 ? 86  ASP A C   1 
ATOM 581 O O   . ASP A 1 87  ? -2.013  -10.493 31.824 1.00 1.00 ? 86  ASP A O   1 
ATOM 582 C CB  . ASP A 1 87  ? -3.490  -13.213 32.745 1.00 1.00 ? 86  ASP A CB  1 
ATOM 583 C CG  . ASP A 1 87  ? -4.044  -14.070 33.854 1.00 1.00 ? 86  ASP A CG  1 
ATOM 584 O OD1 . ASP A 1 87  ? -5.228  -14.177 34.128 1.00 1.00 ? 86  ASP A OD1 1 
ATOM 585 O OD2 . ASP A 1 87  ? -3.235  -14.725 34.454 1.00 1.00 ? 86  ASP A OD2 1 
ATOM 586 N N   . ALA A 1 88  ? -0.699  -12.260 31.321 1.00 1.00 ? 87  ALA A N   1 
ATOM 587 C CA  . ALA A 1 88  ? -0.052  -11.580 30.190 1.00 1.00 ? 87  ALA A CA  1 
ATOM 588 C C   . ALA A 1 88  ? -1.008  -11.545 28.997 1.00 1.00 ? 87  ALA A C   1 
ATOM 589 O O   . ALA A 1 88  ? -1.010  -12.457 28.157 1.00 1.00 ? 87  ALA A O   1 
ATOM 590 C CB  . ALA A 1 88  ? 1.175   -12.388 29.733 1.00 1.00 ? 87  ALA A CB  1 
ATOM 591 N N   . CYS A 1 89  ? -1.807  -10.494 28.942 1.00 1.00 ? 88  CYS A N   1 
ATOM 592 C CA  . CYS A 1 89  ? -2.778  -10.341 27.849 1.00 1.00 ? 88  CYS A CA  1 
ATOM 593 C C   . CYS A 1 89  ? -2.079  -9.759  26.619 1.00 1.00 ? 88  CYS A C   1 
ATOM 594 O O   . CYS A 1 89  ? -1.052  -9.074  26.734 1.00 1.00 ? 88  CYS A O   1 
ATOM 595 C CB  . CYS A 1 89  ? -3.991  -9.555  28.287 1.00 1.00 ? 88  CYS A CB  1 
ATOM 596 S SG  . CYS A 1 89  ? -5.234  -10.469 29.255 1.00 1.00 ? 88  CYS A SG  1 
ATOM 597 N N   . ASN A 1 90  ? -2.644  -10.040 25.461 1.00 1.00 ? 89  ASN A N   1 
ATOM 598 C CA  . ASN A 1 90  ? -2.072  -9.547  24.198 1.00 1.00 ? 89  ASN A CA  1 
ATOM 599 C C   . ASN A 1 90  ? -3.058  -9.797  23.055 1.00 1.00 ? 89  ASN A C   1 
ATOM 600 O O   . ASN A 1 90  ? -4.179  -10.279 23.274 1.00 1.00 ? 89  ASN A O   1 
ATOM 601 C CB  . ASN A 1 90  ? -0.721  -10.250 23.930 1.00 1.00 ? 89  ASN A CB  1 
ATOM 602 C CG  . ASN A 1 90  ? -0.926  -11.648 23.404 1.00 1.00 ? 89  ASN A CG  1 
ATOM 603 O OD1 . ASN A 1 90  ? -1.278  -11.921 22.267 1.00 1.00 ? 89  ASN A OD1 1 
ATOM 604 N ND2 . ASN A 1 90  ? -0.619  -12.673 24.289 1.00 1.00 ? 89  ASN A ND2 1 
ATOM 605 N N   . LEU A 1 91  ? -2.625  -9.462  21.854 1.00 1.00 ? 90  LEU A N   1 
ATOM 606 C CA  . LEU A 1 91  ? -3.505  -9.642  20.654 1.00 1.00 ? 90  LEU A CA  1 
ATOM 607 C C   . LEU A 1 91  ? -2.656  -10.168 19.495 1.00 1.00 ? 90  LEU A C   1 
ATOM 608 O O   . LEU A 1 91  ? -1.801  -9.450  18.956 1.00 1.00 ? 90  LEU A O   1 
ATOM 609 C CB  . LEU A 1 91  ? -4.144  -8.310  20.281 1.00 1.00 ? 90  LEU A CB  1 
ATOM 610 C CG  . LEU A 1 91  ? -5.624  -8.327  19.954 1.00 1.00 ? 90  LEU A CG  1 
ATOM 611 C CD1 . LEU A 1 91  ? -6.419  -8.243  21.234 1.00 1.00 ? 90  LEU A CD1 1 
ATOM 612 C CD2 . LEU A 1 91  ? -5.980  -7.174  19.047 1.00 1.00 ? 90  LEU A CD2 1 
ATOM 613 N N   . GLY A 1 92  ? -2.903  -11.412 19.130 1.00 1.00 ? 91  GLY A N   1 
ATOM 614 C CA  . GLY A 1 92  ? -2.157  -12.040 18.031 1.00 1.00 ? 91  GLY A CA  1 
ATOM 615 C C   . GLY A 1 92  ? -3.055  -12.159 16.799 1.00 1.00 ? 91  GLY A C   1 
ATOM 616 O O   . GLY A 1 92  ? -4.281  -11.994 16.887 1.00 1.00 ? 91  GLY A O   1 
ATOM 617 N N   . ALA A 1 93  ? -2.432  -12.439 15.670 1.00 1.00 ? 92  ALA A N   1 
ATOM 618 C CA  . ALA A 1 93  ? -3.177  -12.574 14.412 1.00 1.00 ? 92  ALA A CA  1 
ATOM 619 C C   . ALA A 1 93  ? -2.280  -13.218 13.352 1.00 1.00 ? 92  ALA A C   1 
ATOM 620 O O   . ALA A 1 93  ? -1.056  -13.024 13.352 1.00 1.00 ? 92  ALA A O   1 
ATOM 621 C CB  . ALA A 1 93  ? -3.544  -11.181 13.875 1.00 1.00 ? 92  ALA A CB  1 
ATOM 622 N N   . GLY A 1 94  ? -2.902  -13.973 12.467 1.00 1.00 ? 93  GLY A N   1 
ATOM 623 C CA  . GLY A 1 94  ? -2.157  -14.655 11.397 1.00 1.00 ? 93  GLY A CA  1 
ATOM 624 C C   . GLY A 1 94  ? -2.973  -15.836 10.878 1.00 1.00 ? 93  GLY A C   1 
ATOM 625 O O   . GLY A 1 94  ? -4.167  -15.971 11.185 1.00 1.00 ? 93  GLY A O   1 
ATOM 626 N N   . ASN A 1 95  ? -2.315  -16.678 10.107 1.00 1.00 ? 94  ASN A N   1 
ATOM 627 C CA  . ASN A 1 95  ? -2.982  -17.858 9.537  1.00 1.00 ? 94  ASN A CA  1 
ATOM 628 C C   . ASN A 1 95  ? -1.984  -19.014 9.437  1.00 1.00 ? 94  ASN A C   1 
ATOM 629 O O   . ASN A 1 95  ? -1.107  -19.174 10.294 1.00 1.00 ? 94  ASN A O   1 
ATOM 630 C CB  . ASN A 1 95  ? -3.566  -17.510 8.151  1.00 1.00 ? 94  ASN A CB  1 
ATOM 631 C CG  . ASN A 1 95  ? -2.525  -16.887 7.257  1.00 1.00 ? 94  ASN A CG  1 
ATOM 632 O OD1 . ASN A 1 95  ? -2.766  -16.163 6.306  1.00 1.00 ? 94  ASN A OD1 1 
ATOM 633 N ND2 . ASN A 1 95  ? -1.205  -17.126 7.620  1.00 1.00 ? 94  ASN A ND2 1 
ATOM 634 N N   . SER A 1 96  ? -2.133  -19.804 8.389  1.00 1.00 ? 95  SER A N   1 
ATOM 635 C CA  . SER A 1 96  ? -1.242  -20.956 8.176  1.00 1.00 ? 95  SER A CA  1 
ATOM 636 C C   . SER A 1 96  ? 0.000   -20.510 7.402  1.00 1.00 ? 95  SER A C   1 
ATOM 637 O O   . SER A 1 96  ? 0.969   -21.270 7.261  1.00 1.00 ? 95  SER A O   1 
ATOM 638 C CB  . SER A 1 96  ? -1.962  -22.049 7.413  1.00 1.00 ? 95  SER A CB  1 
ATOM 639 O OG  . SER A 1 96  ? -3.143  -21.568 6.775  1.00 1.00 ? 95  SER A OG  1 
ATOM 640 N N   . GLY A 1 97  ? -0.046  -19.284 6.912  1.00 1.00 ? 96  GLY A N   1 
ATOM 641 C CA  . GLY A 1 97  ? 1.081   -18.734 6.142  1.00 1.00 ? 96  GLY A CA  1 
ATOM 642 C C   . GLY A 1 97  ? 2.090   -18.094 7.096  1.00 1.00 ? 96  GLY A C   1 
ATOM 643 O O   . GLY A 1 97  ? 3.291   -18.399 7.050  1.00 1.00 ? 96  GLY A O   1 
ATOM 644 N N   . LEU A 1 98  ? 1.590   -17.215 7.945  1.00 1.00 ? 97  LEU A N   1 
ATOM 645 C CA  . LEU A 1 98  ? 2.453   -16.523 8.914  1.00 1.00 ? 97  LEU A CA  1 
ATOM 646 C C   . LEU A 1 98  ? 1.646   -16.183 10.166 1.00 1.00 ? 97  LEU A C   1 
ATOM 647 O O   . LEU A 1 98  ? 0.442   -15.898 10.092 1.00 1.00 ? 97  LEU A O   1 
ATOM 648 C CB  . LEU A 1 98  ? 3.034   -15.241 8.287  1.00 1.00 ? 97  LEU A CB  1 
ATOM 649 C CG  . LEU A 1 98  ? 2.111   -14.385 7.445  1.00 1.00 ? 97  LEU A CG  1 
ATOM 650 C CD1 . LEU A 1 98  ? 0.677   -14.640 7.848  1.00 1.00 ? 97  LEU A CD1 1 
ATOM 651 C CD2 . LEU A 1 98  ? 2.441   -12.923 7.618  1.00 1.00 ? 97  LEU A CD2 1 
ATOM 652 N N   . ASN A 1 99  ? 2.322   -16.220 11.300 1.00 1.00 ? 98  ASN A N   1 
ATOM 653 C CA  . ASN A 1 99  ? 1.664   -15.916 12.581 1.00 1.00 ? 98  ASN A CA  1 
ATOM 654 C C   . ASN A 1 99  ? 1.327   -14.432 12.648 1.00 1.00 ? 98  ASN A C   1 
ATOM 655 O O   . ASN A 1 99  ? 0.219   -14.047 13.053 1.00 1.00 ? 98  ASN A O   1 
ATOM 656 C CB  . ASN A 1 99  ? 2.588   -16.330 13.749 1.00 1.00 ? 98  ASN A CB  1 
ATOM 657 C CG  . ASN A 1 99  ? 2.253   -15.575 15.004 1.00 1.00 ? 98  ASN A CG  1 
ATOM 658 O OD1 . ASN A 1 99  ? 3.056   -15.270 15.869 1.00 1.00 ? 98  ASN A OD1 1 
ATOM 659 N ND2 . ASN A 1 99  ? 0.933   -15.152 15.113 1.00 1.00 ? 98  ASN A ND2 1 
ATOM 660 N N   . LEU A 1 100 ? 2.287   -13.614 12.251 1.00 1.00 ? 99  LEU A N   1 
ATOM 661 C CA  . LEU A 1 100 ? 2.095   -12.157 12.272 1.00 1.00 ? 99  LEU A CA  1 
ATOM 662 C C   . LEU A 1 100 ? 2.516   -11.600 13.633 1.00 1.00 ? 99  LEU A C   1 
ATOM 663 O O   . LEU A 1 100 ? 2.587   -10.377 13.828 1.00 1.00 ? 99  LEU A O   1 
ATOM 664 C CB  . LEU A 1 100 ? 0.619   -11.809 11.985 1.00 1.00 ? 99  LEU A CB  1 
ATOM 665 C CG  . LEU A 1 100 ? 0.314   -10.948 10.775 1.00 1.00 ? 99  LEU A CG  1 
ATOM 666 C CD1 . LEU A 1 100 ? -1.183  -10.862 10.582 1.00 1.00 ? 99  LEU A CD1 1 
ATOM 667 C CD2 . LEU A 1 100 ? 0.890   -9.563  10.950 1.00 1.00 ? 99  LEU A CD2 1 
ATOM 668 N N   . GLY A 1 101 ? 2.790   -12.505 14.557 1.00 1.00 ? 100 GLY A N   1 
ATOM 669 C CA  . GLY A 1 101 ? 3.202   -12.104 15.912 1.00 1.00 ? 100 GLY A CA  1 
ATOM 670 C C   . GLY A 1 101 ? 2.034   -11.421 16.622 1.00 1.00 ? 100 GLY A C   1 
ATOM 671 O O   . GLY A 1 101 ? 0.989   -11.143 16.012 1.00 1.00 ? 100 GLY A O   1 
ATOM 672 N N   . HIS A 1 102 ? 2.226   -11.160 17.904 1.00 1.00 ? 101 HIS A N   1 
ATOM 673 C CA  . HIS A 1 102 ? 1.179   -10.509 18.709 1.00 1.00 ? 101 HIS A CA  1 
ATOM 674 C C   . HIS A 1 102 ? 1.746   -9.251  19.374 1.00 1.00 ? 101 HIS A C   1 
ATOM 675 O O   . HIS A 1 102 ? 2.809   -8.744  18.979 1.00 1.00 ? 101 HIS A O   1 
ATOM 676 C CB  . HIS A 1 102 ? 0.663   -11.506 19.748 1.00 1.00 ? 101 HIS A CB  1 
ATOM 677 C CG  . HIS A 1 102 ? 1.709   -12.437 20.307 1.00 1.00 ? 101 HIS A CG  1 
ATOM 678 N ND1 . HIS A 1 102 ? 1.572   -13.817 20.255 1.00 1.00 ? 101 HIS A ND1 1 
ATOM 679 C CD2 . HIS A 1 102 ? 2.882   -12.196 20.949 1.00 1.00 ? 101 HIS A CD2 1 
ATOM 680 C CE1 . HIS A 1 102 ? 2.619   -14.364 20.844 1.00 1.00 ? 101 HIS A CE1 1 
ATOM 681 N NE2 . HIS A 1 102 ? 3.427   -13.406 21.245 1.00 1.00 ? 101 HIS A NE2 1 
ATOM 682 N N   . VAL A 1 103 ? 1.031   -8.765  20.374 1.00 1.00 ? 102 VAL A N   1 
ATOM 683 C CA  . VAL A 1 103 ? 1.461   -7.555  21.096 1.00 1.00 ? 102 VAL A CA  1 
ATOM 684 C C   . VAL A 1 103 ? 0.801   -7.518  22.477 1.00 1.00 ? 102 VAL A C   1 
ATOM 685 O O   . VAL A 1 103 ? -0.389  -7.838  22.623 1.00 1.00 ? 102 VAL A O   1 
ATOM 686 C CB  . VAL A 1 103 ? 1.100   -6.318  20.284 1.00 1.00 ? 102 VAL A CB  1 
ATOM 687 C CG1 . VAL A 1 103 ? -0.188  -6.450  19.429 1.00 1.00 ? 102 VAL A CG1 1 
ATOM 688 C CG2 . VAL A 1 103 ? 1.103   -5.067  21.125 1.00 1.00 ? 102 VAL A CG2 1 
ATOM 689 N N   . ALA A 1 104 ? 1.584   -7.129  23.470 1.00 1.00 ? 103 ALA A N   1 
ATOM 690 C CA  . ALA A 1 104 ? 1.077   -7.054  24.850 1.00 1.00 ? 103 ALA A CA  1 
ATOM 691 C C   . ALA A 1 104 ? 0.552   -5.644  25.130 1.00 1.00 ? 103 ALA A C   1 
ATOM 692 O O   . ALA A 1 104 ? -0.168  -5.057  24.306 1.00 1.00 ? 103 ALA A O   1 
ATOM 693 C CB  . ALA A 1 104 ? 2.233   -7.286  25.837 1.00 1.00 ? 103 ALA A CB  1 
ATOM 694 N N   . LEU A 1 105 ? 0.919   -5.121  26.287 1.00 1.00 ? 104 LEU A N   1 
ATOM 695 C CA  . LEU A 1 105 ? 0.479   -3.774  26.683 1.00 1.00 ? 104 LEU A CA  1 
ATOM 696 C C   . LEU A 1 105 ? -0.222  -3.839  28.042 1.00 1.00 ? 104 LEU A C   1 
ATOM 697 O O   . LEU A 1 105 ? -1.233  -4.540  28.205 1.00 1.00 ? 104 LEU A O   1 
ATOM 698 C CB  . LEU A 1 105 ? -0.471  -3.191  25.616 1.00 1.00 ? 104 LEU A CB  1 
ATOM 699 C CG  . LEU A 1 105 ? -1.705  -3.993  25.247 1.00 1.00 ? 104 LEU A CG  1 
ATOM 700 C CD1 . LEU A 1 105 ? -1.369  -5.467  25.248 1.00 1.00 ? 104 LEU A CD1 1 
ATOM 701 C CD2 . LEU A 1 105 ? -2.826  -3.720  26.221 1.00 1.00 ? 104 LEU A CD2 1 
ATOM 702 N N   . THR A 1 106 ? 0.324   -3.108  28.999 1.00 1.00 ? 105 THR A N   1 
ATOM 703 C CA  . THR A 1 106 ? -0.248  -3.084  30.355 1.00 1.00 ? 105 THR A CA  1 
ATOM 704 C C   . THR A 1 106 ? -1.775  -3.025  30.268 1.00 1.00 ? 105 THR A C   1 
ATOM 705 O O   . THR A 1 106 ? -2.367  -3.342  29.224 1.00 1.00 ? 105 THR A O   1 
ATOM 706 C CB  . THR A 1 106 ? 0.354   -1.867  31.084 1.00 1.00 ? 105 THR A CB  1 
ATOM 707 O OG1 . THR A 1 106 ? 1.475   -1.502  30.282 1.00 1.00 ? 105 THR A OG1 1 
ATOM 708 C CG2 . THR A 1 106 ? 0.793   -2.196  32.485 1.00 1.00 ? 105 THR A CG2 1 
ATOM 709 N N   . PHE A 1 107 ? -2.390  -2.621  31.367 1.00 1.00 ? 106 PHE A N   1 
ATOM 710 C CA  . PHE A 1 107 ? -3.857  -2.524  31.422 1.00 1.00 ? 106 PHE A CA  1 
ATOM 711 C C   . PHE A 1 107 ? -4.268  -1.481  32.464 1.00 1.00 ? 106 PHE A C   1 
ATOM 712 O O   . PHE A 1 107 ? -3.538  -0.508  32.715 1.00 1.00 ? 106 PHE A O   1 
ATOM 713 C CB  . PHE A 1 107 ? -4.438  -3.889  31.746 1.00 1.00 ? 106 PHE A CB  1 
ATOM 714 C CG  . PHE A 1 107 ? -5.454  -4.393  30.759 1.00 1.00 ? 106 PHE A CG  1 
ATOM 715 C CD1 . PHE A 1 107 ? -6.743  -3.991  30.875 1.00 1.00 ? 106 PHE A CD1 1 
ATOM 716 C CD2 . PHE A 1 107 ? -5.103  -5.186  29.692 1.00 1.00 ? 106 PHE A CD2 1 
ATOM 717 C CE1 . PHE A 1 107 ? -7.752  -4.421  29.963 1.00 1.00 ? 106 PHE A CE1 1 
ATOM 718 C CE2 . PHE A 1 107 ? -6.119  -5.579  28.753 1.00 1.00 ? 106 PHE A CE2 1 
ATOM 719 C CZ  . PHE A 1 107 ? -7.407  -5.222  28.923 1.00 1.00 ? 106 PHE A CZ  1 
ATOM 720 N N   . GLY A 1 108 ? -5.430  -1.696  33.056 1.00 1.00 ? 107 GLY A N   1 
ATOM 721 C CA  . GLY A 1 108 ? -5.082  -0.125  35.800 1.00 1.00 ? 107 GLY A CA  1 
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