data_1CXC
# 
_entry.id   1CXC 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.397 
_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   1CXC         pdb_00001cxc 10.2210/pdb1cxc/pdb 
WWPDB D_1000172582 ?            ?                   
# 
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 1995-09-15 
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' 2 0 2021-03-03 
6 'Structure model' 2 1 2024-10-23 
# 
_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' 'Atomic model'              
6  5 'Structure model' 'Data collection'           
7  5 'Structure model' 'Derived calculations'      
8  5 'Structure model' 'Non-polymer description'   
9  5 'Structure model' 'Structure summary'         
10 6 'Structure model' 'Data collection'           
11 6 'Structure model' 'Database references'       
12 6 '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  4 'Structure model' struct_conf_type          
4  5 'Structure model' atom_site                 
5  5 'Structure model' chem_comp                 
6  5 'Structure model' entity                    
7  5 'Structure model' pdbx_entity_nonpoly       
8  5 'Structure model' pdbx_nonpoly_scheme       
9  5 'Structure model' pdbx_struct_conn_angle    
10 5 'Structure model' struct_conn               
11 5 'Structure model' struct_site               
12 6 'Structure model' chem_comp_atom            
13 6 'Structure model' chem_comp_bond            
14 6 'Structure model' database_2                
15 6 'Structure model' pdbx_entry_details        
16 6 'Structure model' pdbx_modification_feature 
# 
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' '_atom_site.B_iso_or_equiv'                   
3  5 'Structure model' '_atom_site.Cartn_x'                          
4  5 'Structure model' '_atom_site.Cartn_y'                          
5  5 'Structure model' '_atom_site.Cartn_z'                          
6  5 'Structure model' '_atom_site.auth_atom_id'                     
7  5 'Structure model' '_atom_site.auth_comp_id'                     
8  5 'Structure model' '_atom_site.label_atom_id'                    
9  5 'Structure model' '_atom_site.label_comp_id'                    
10 5 'Structure model' '_atom_site.type_symbol'                      
11 5 'Structure model' '_chem_comp.formula'                          
12 5 'Structure model' '_chem_comp.formula_weight'                   
13 5 'Structure model' '_chem_comp.id'                               
14 5 'Structure model' '_chem_comp.name'                             
15 5 'Structure model' '_chem_comp.pdbx_synonyms'                    
16 5 'Structure model' '_entity.formula_weight'                      
17 5 'Structure model' '_entity.pdbx_description'                    
18 5 'Structure model' '_pdbx_entity_nonpoly.comp_id'                
19 5 'Structure model' '_pdbx_entity_nonpoly.name'                   
20 5 'Structure model' '_pdbx_nonpoly_scheme.mon_id'                 
21 5 'Structure model' '_pdbx_nonpoly_scheme.pdb_mon_id'             
22 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_comp_id'  
23 5 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_comp_id' 
24 5 'Structure model' '_pdbx_struct_conn_angle.ptnr2_auth_comp_id'  
25 5 'Structure model' '_pdbx_struct_conn_angle.ptnr2_label_comp_id' 
26 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_comp_id'  
27 5 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_comp_id' 
28 5 'Structure model' '_struct_conn.pdbx_leaving_atom_flag'         
29 5 'Structure model' '_struct_conn.ptnr1_auth_comp_id'             
30 5 'Structure model' '_struct_conn.ptnr1_auth_seq_id'              
31 5 'Structure model' '_struct_conn.ptnr1_label_asym_id'            
32 5 'Structure model' '_struct_conn.ptnr1_label_atom_id'            
33 5 'Structure model' '_struct_conn.ptnr1_label_comp_id'            
34 5 'Structure model' '_struct_conn.ptnr1_label_seq_id'             
35 5 'Structure model' '_struct_conn.ptnr2_auth_comp_id'             
36 5 'Structure model' '_struct_conn.ptnr2_auth_seq_id'              
37 5 'Structure model' '_struct_conn.ptnr2_label_asym_id'            
38 5 'Structure model' '_struct_conn.ptnr2_label_atom_id'            
39 5 'Structure model' '_struct_conn.ptnr2_label_comp_id'            
40 5 'Structure model' '_struct_conn.ptnr2_label_seq_id'             
41 5 'Structure model' '_struct_site.details'                        
42 5 'Structure model' '_struct_site.pdbx_auth_asym_id'              
43 5 'Structure model' '_struct_site.pdbx_auth_comp_id'              
44 5 'Structure model' '_struct_site.pdbx_auth_seq_id'               
45 6 'Structure model' '_database_2.pdbx_DOI'                        
46 6 'Structure model' '_database_2.pdbx_database_accession'         
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.entry_id                        1CXC 
_pdbx_database_status.recvd_initial_deposition_date   1994-02-14 
_pdbx_database_status.deposit_site                    ? 
_pdbx_database_status.process_site                    BNL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.status_code_nmr_data            ? 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.db_id 
_pdbx_database_related.details 
_pdbx_database_related.content_type 
PDB 1CXA . unspecified 
PDB 2CXB . unspecified 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Axelrod, H.L.' 1 
'Feher, G.'     2 
'Allen, J.P.'   3 
'Chirino, A.J.' 4 
'Day, M.W.'     5 
'Hsu, B.T.'     6 
'Rees, D.C.'    7 
# 
_citation.id                        primary 
_citation.title                     
'Crystallization and X-ray structure determination of cytochrome c2 from Rhodobacter sphaeroides in three crystal forms.' 
_citation.journal_abbrev            'Acta Crystallogr.,Sect.D' 
_citation.journal_volume            50 
_citation.page_first                596 
_citation.page_last                 602 
_citation.year                      1994 
_citation.journal_id_ASTM           ABCRE6 
_citation.country                   DK 
_citation.journal_id_ISSN           0907-4449 
_citation.journal_id_CSD            0766 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   15299423 
_citation.pdbx_database_id_DOI      10.1107/S0907444994001319 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Axelrod, H.L.' 1 ? 
primary 'Feher, G.'     2 ? 
primary 'Allen, J.P.'   3 ? 
primary 'Chirino, A.J.' 4 ? 
primary 'Day, M.W.'     5 ? 
primary 'Hsu, B.T.'     6 ? 
primary 'Rees, D.C.'    7 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     nat 'CYTOCHROME C2' 13488.064 1  ? ? ? ? 
2 non-polymer syn 'HEME C'        618.503   1  ? ? ? ? 
3 water       nat water           18.015    24 ? ? ? ? 
# 
_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       
;QEGDPEAGAKAFNQCQTCHVIVDDSGTTIAGRNAKTGPNLYGVVGRTAGTQADFKGYGEGMKEAGAKGLAWDEEHFVQYV
QDPTKFLKEYTGDAKAKGKMTFKLKKEADAHNIWAYLQQVAVRP
;
_entity_poly.pdbx_seq_one_letter_code_can   
;QEGDPEAGAKAFNQCQTCHVIVDDSGTTIAGRNAKTGPNLYGVVGRTAGTQADFKGYGEGMKEAGAKGLAWDEEHFVQYV
QDPTKFLKEYTGDAKAKGKMTFKLKKEADAHNIWAYLQQVAVRP
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'HEME C' HEC 
3 water    HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLN n 
1 2   GLU n 
1 3   GLY n 
1 4   ASP n 
1 5   PRO n 
1 6   GLU n 
1 7   ALA n 
1 8   GLY n 
1 9   ALA n 
1 10  LYS n 
1 11  ALA n 
1 12  PHE n 
1 13  ASN n 
1 14  GLN n 
1 15  CYS n 
1 16  GLN n 
1 17  THR n 
1 18  CYS n 
1 19  HIS n 
1 20  VAL n 
1 21  ILE n 
1 22  VAL n 
1 23  ASP n 
1 24  ASP n 
1 25  SER n 
1 26  GLY n 
1 27  THR n 
1 28  THR n 
1 29  ILE n 
1 30  ALA n 
1 31  GLY n 
1 32  ARG n 
1 33  ASN n 
1 34  ALA n 
1 35  LYS n 
1 36  THR n 
1 37  GLY n 
1 38  PRO n 
1 39  ASN n 
1 40  LEU n 
1 41  TYR n 
1 42  GLY n 
1 43  VAL n 
1 44  VAL n 
1 45  GLY n 
1 46  ARG n 
1 47  THR n 
1 48  ALA n 
1 49  GLY n 
1 50  THR n 
1 51  GLN n 
1 52  ALA n 
1 53  ASP n 
1 54  PHE n 
1 55  LYS n 
1 56  GLY n 
1 57  TYR n 
1 58  GLY n 
1 59  GLU n 
1 60  GLY n 
1 61  MET n 
1 62  LYS n 
1 63  GLU n 
1 64  ALA n 
1 65  GLY n 
1 66  ALA n 
1 67  LYS n 
1 68  GLY n 
1 69  LEU n 
1 70  ALA n 
1 71  TRP n 
1 72  ASP n 
1 73  GLU n 
1 74  GLU n 
1 75  HIS n 
1 76  PHE n 
1 77  VAL n 
1 78  GLN n 
1 79  TYR n 
1 80  VAL n 
1 81  GLN n 
1 82  ASP n 
1 83  PRO n 
1 84  THR n 
1 85  LYS n 
1 86  PHE n 
1 87  LEU n 
1 88  LYS n 
1 89  GLU n 
1 90  TYR n 
1 91  THR n 
1 92  GLY n 
1 93  ASP n 
1 94  ALA n 
1 95  LYS n 
1 96  ALA n 
1 97  LYS n 
1 98  GLY n 
1 99  LYS n 
1 100 MET n 
1 101 THR n 
1 102 PHE n 
1 103 LYS n 
1 104 LEU n 
1 105 LYS n 
1 106 LYS n 
1 107 GLU n 
1 108 ALA n 
1 109 ASP n 
1 110 ALA n 
1 111 HIS n 
1 112 ASN n 
1 113 ILE n 
1 114 TRP n 
1 115 ALA n 
1 116 TYR n 
1 117 LEU n 
1 118 GLN n 
1 119 GLN n 
1 120 VAL n 
1 121 ALA n 
1 122 VAL n 
1 123 ARG n 
1 124 PRO n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           ? 
_entity_src_nat.pdbx_end_seq_num           ? 
_entity_src_nat.common_name                ? 
_entity_src_nat.pdbx_organism_scientific   'Rhodobacter sphaeroides' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      1063 
_entity_src_nat.genus                      Rhodobacter 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
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  
HEC non-polymer         . 'HEME C'        ? 'C34 H34 Fe N4 O4' 618.503 
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1'   156.162 
HOH non-polymer         . WATER           ? 'H2 O'             18.015  
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 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'    149.211 
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 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'    204.225 
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   GLN 1   1   1   GLN GLN A . n 
A 1 2   GLU 2   2   2   GLU GLU A . n 
A 1 3   GLY 3   3   3   GLY GLY A . n 
A 1 4   ASP 4   4   4   ASP ASP A . n 
A 1 5   PRO 5   5   5   PRO PRO A . n 
A 1 6   GLU 6   6   6   GLU GLU A . n 
A 1 7   ALA 7   7   7   ALA ALA A . n 
A 1 8   GLY 8   8   8   GLY GLY A . n 
A 1 9   ALA 9   9   9   ALA ALA A . n 
A 1 10  LYS 10  10  10  LYS LYS A . n 
A 1 11  ALA 11  11  11  ALA ALA A . n 
A 1 12  PHE 12  12  12  PHE PHE A . n 
A 1 13  ASN 13  13  13  ASN ASN A . n 
A 1 14  GLN 14  14  14  GLN GLN A . n 
A 1 15  CYS 15  15  15  CYS CYS A . n 
A 1 16  GLN 16  16  16  GLN GLN A . n 
A 1 17  THR 17  17  17  THR THR A . n 
A 1 18  CYS 18  18  18  CYS CYS A . n 
A 1 19  HIS 19  19  19  HIS HIS A . n 
A 1 20  VAL 20  20  20  VAL VAL A . n 
A 1 21  ILE 21  21  21  ILE ILE A . n 
A 1 22  VAL 22  22  22  VAL VAL A . n 
A 1 23  ASP 23  23  23  ASP ASP A . n 
A 1 24  ASP 24  24  24  ASP ASP A . n 
A 1 25  SER 25  25  25  SER SER A . n 
A 1 26  GLY 26  26  26  GLY GLY A . n 
A 1 27  THR 27  27  27  THR THR A . n 
A 1 28  THR 28  28  28  THR THR A . n 
A 1 29  ILE 29  29  29  ILE ILE A . n 
A 1 30  ALA 30  30  30  ALA ALA A . n 
A 1 31  GLY 31  31  31  GLY GLY A . n 
A 1 32  ARG 32  32  32  ARG ARG A . n 
A 1 33  ASN 33  33  33  ASN ASN A . n 
A 1 34  ALA 34  34  34  ALA ALA A . n 
A 1 35  LYS 35  35  35  LYS LYS A . n 
A 1 36  THR 36  36  36  THR THR A . n 
A 1 37  GLY 37  37  37  GLY GLY A . n 
A 1 38  PRO 38  38  38  PRO PRO A . n 
A 1 39  ASN 39  39  39  ASN ASN A . n 
A 1 40  LEU 40  40  40  LEU LEU A . n 
A 1 41  TYR 41  41  41  TYR TYR A . n 
A 1 42  GLY 42  42  42  GLY GLY A . n 
A 1 43  VAL 43  43  43  VAL VAL A . n 
A 1 44  VAL 44  44  44  VAL VAL A . n 
A 1 45  GLY 45  45  45  GLY GLY A . n 
A 1 46  ARG 46  46  46  ARG ARG 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  GLY 49  49  49  GLY GLY A . n 
A 1 50  THR 50  50  50  THR THR A . n 
A 1 51  GLN 51  51  51  GLN GLN A . n 
A 1 52  ALA 52  52  52  ALA ALA A . n 
A 1 53  ASP 53  53  53  ASP ASP A . n 
A 1 54  PHE 54  54  54  PHE PHE A . n 
A 1 55  LYS 55  55  55  LYS LYS A . n 
A 1 56  GLY 56  56  56  GLY GLY A . n 
A 1 57  TYR 57  57  57  TYR TYR A . n 
A 1 58  GLY 58  58  58  GLY GLY A . n 
A 1 59  GLU 59  59  59  GLU GLU A . n 
A 1 60  GLY 60  60  60  GLY GLY A . n 
A 1 61  MET 61  61  61  MET MET A . n 
A 1 62  LYS 62  62  62  LYS LYS A . n 
A 1 63  GLU 63  63  63  GLU GLU A . n 
A 1 64  ALA 64  64  64  ALA ALA A . n 
A 1 65  GLY 65  65  65  GLY GLY A . n 
A 1 66  ALA 66  66  66  ALA ALA A . n 
A 1 67  LYS 67  67  67  LYS LYS A . n 
A 1 68  GLY 68  68  68  GLY GLY A . n 
A 1 69  LEU 69  69  69  LEU LEU A . n 
A 1 70  ALA 70  70  70  ALA ALA A . n 
A 1 71  TRP 71  71  71  TRP TRP A . n 
A 1 72  ASP 72  72  72  ASP ASP A . n 
A 1 73  GLU 73  73  73  GLU GLU A . n 
A 1 74  GLU 74  74  74  GLU GLU A . n 
A 1 75  HIS 75  75  75  HIS HIS A . n 
A 1 76  PHE 76  76  76  PHE PHE A . n 
A 1 77  VAL 77  77  77  VAL VAL A . n 
A 1 78  GLN 78  78  78  GLN GLN A . n 
A 1 79  TYR 79  79  79  TYR TYR A . n 
A 1 80  VAL 80  80  80  VAL VAL A . n 
A 1 81  GLN 81  81  81  GLN GLN A . n 
A 1 82  ASP 82  82  82  ASP ASP A . n 
A 1 83  PRO 83  83  83  PRO PRO A . n 
A 1 84  THR 84  84  84  THR THR A . n 
A 1 85  LYS 85  85  85  LYS LYS A . n 
A 1 86  PHE 86  86  86  PHE PHE A . n 
A 1 87  LEU 87  87  87  LEU LEU A . n 
A 1 88  LYS 88  88  88  LYS LYS A . n 
A 1 89  GLU 89  89  89  GLU GLU A . n 
A 1 90  TYR 90  90  90  TYR TYR A . n 
A 1 91  THR 91  91  91  THR THR A . n 
A 1 92  GLY 92  92  92  GLY GLY A . n 
A 1 93  ASP 93  93  93  ASP ASP A . n 
A 1 94  ALA 94  94  94  ALA ALA A . n 
A 1 95  LYS 95  95  95  LYS LYS A . n 
A 1 96  ALA 96  96  96  ALA ALA A . n 
A 1 97  LYS 97  97  97  LYS LYS A . n 
A 1 98  GLY 98  98  98  GLY GLY A . n 
A 1 99  LYS 99  99  99  LYS LYS A . n 
A 1 100 MET 100 100 100 MET MET A . n 
A 1 101 THR 101 101 101 THR THR A . n 
A 1 102 PHE 102 102 102 PHE PHE A . n 
A 1 103 LYS 103 103 103 LYS LYS A . n 
A 1 104 LEU 104 104 104 LEU LEU A . n 
A 1 105 LYS 105 105 105 LYS LYS A . n 
A 1 106 LYS 106 106 106 LYS LYS A . n 
A 1 107 GLU 107 107 107 GLU GLU A . n 
A 1 108 ALA 108 108 108 ALA ALA A . n 
A 1 109 ASP 109 109 109 ASP ASP A . n 
A 1 110 ALA 110 110 110 ALA ALA A . n 
A 1 111 HIS 111 111 111 HIS HIS A . n 
A 1 112 ASN 112 112 112 ASN ASN A . n 
A 1 113 ILE 113 113 113 ILE ILE A . n 
A 1 114 TRP 114 114 114 TRP TRP A . n 
A 1 115 ALA 115 115 115 ALA ALA A . n 
A 1 116 TYR 116 116 116 TYR TYR A . n 
A 1 117 LEU 117 117 117 LEU LEU A . n 
A 1 118 GLN 118 118 118 GLN GLN A . n 
A 1 119 GLN 119 119 119 GLN GLN A . n 
A 1 120 VAL 120 120 120 VAL VAL A . n 
A 1 121 ALA 121 121 121 ALA ALA A . n 
A 1 122 VAL 122 122 122 VAL VAL A . n 
A 1 123 ARG 123 123 123 ARG ARG A . n 
A 1 124 PRO 124 124 124 PRO PRO A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 HEC 1  125 125 HEC HEM A . 
C 3 HOH 1  126 1   HOH HOH A . 
C 3 HOH 2  127 2   HOH HOH A . 
C 3 HOH 3  128 3   HOH HOH A . 
C 3 HOH 4  129 4   HOH HOH A . 
C 3 HOH 5  130 5   HOH HOH A . 
C 3 HOH 6  131 6   HOH HOH A . 
C 3 HOH 7  132 7   HOH HOH A . 
C 3 HOH 8  133 8   HOH HOH A . 
C 3 HOH 9  134 9   HOH HOH A . 
C 3 HOH 10 135 10  HOH HOH A . 
C 3 HOH 11 136 11  HOH HOH A . 
C 3 HOH 12 137 12  HOH HOH A . 
C 3 HOH 13 138 13  HOH HOH A . 
C 3 HOH 14 139 14  HOH HOH A . 
C 3 HOH 15 140 15  HOH HOH A . 
C 3 HOH 16 141 16  HOH HOH A . 
C 3 HOH 17 142 17  HOH HOH A . 
C 3 HOH 18 143 18  HOH HOH A . 
C 3 HOH 19 144 19  HOH HOH A . 
C 3 HOH 20 145 21  HOH HOH A . 
C 3 HOH 21 146 22  HOH HOH A . 
C 3 HOH 22 147 23  HOH HOH A . 
C 3 HOH 23 148 24  HOH HOH A . 
C 3 HOH 24 149 25  HOH HOH A . 
# 
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 LYS 10  ? NZ  ? A LYS 10  NZ  
2  1 Y 1 A ARG 32  ? NE  ? A ARG 32  NE  
3  1 Y 1 A ARG 32  ? CZ  ? A ARG 32  CZ  
4  1 Y 1 A ARG 32  ? NH1 ? A ARG 32  NH1 
5  1 Y 1 A ARG 32  ? NH2 ? A ARG 32  NH2 
6  1 Y 1 A ASN 33  ? CG  ? A ASN 33  CG  
7  1 Y 1 A ASN 33  ? OD1 ? A ASN 33  OD1 
8  1 Y 1 A ASN 33  ? ND2 ? A ASN 33  ND2 
9  1 Y 1 A LYS 35  ? CE  ? A LYS 35  CE  
10 1 Y 1 A LYS 35  ? NZ  ? A LYS 35  NZ  
11 1 Y 1 A GLU 74  ? CG  ? A GLU 74  CG  
12 1 Y 1 A GLU 74  ? CD  ? A GLU 74  CD  
13 1 Y 1 A GLU 74  ? OE1 ? A GLU 74  OE1 
14 1 Y 1 A GLU 74  ? OE2 ? A GLU 74  OE2 
15 1 Y 1 A GLN 78  ? OE1 ? A GLN 78  OE1 
16 1 Y 1 A GLN 78  ? NE2 ? A GLN 78  NE2 
17 1 Y 1 A LYS 85  ? NZ  ? A LYS 85  NZ  
18 1 Y 1 A GLU 89  ? OE1 ? A GLU 89  OE1 
19 1 Y 1 A GLU 89  ? OE2 ? A GLU 89  OE2 
20 1 Y 1 A LYS 95  ? CD  ? A LYS 95  CD  
21 1 Y 1 A LYS 95  ? CE  ? A LYS 95  CE  
22 1 Y 1 A LYS 95  ? NZ  ? A LYS 95  NZ  
23 1 Y 1 A LYS 97  ? CG  ? A LYS 97  CG  
24 1 Y 1 A LYS 97  ? CD  ? A LYS 97  CD  
25 1 Y 1 A LYS 97  ? CE  ? A LYS 97  CE  
26 1 Y 1 A LYS 97  ? NZ  ? A LYS 97  NZ  
27 1 Y 1 A LYS 105 ? CE  ? A LYS 105 CE  
28 1 Y 1 A LYS 105 ? NZ  ? A LYS 105 NZ  
29 1 Y 1 A LYS 106 ? CE  ? A LYS 106 CE  
30 1 Y 1 A LYS 106 ? NZ  ? A LYS 106 NZ  
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
X-PLOR 'model building' . ? 1 
TNT    refinement       . ? 2 
X-PLOR refinement       . ? 3 
X-PLOR phasing          . ? 4 
# 
_cell.entry_id           1CXC 
_cell.length_a           82.330 
_cell.length_b           82.330 
_cell.length_c           37.610 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
_cell.length_a_esd       ? 
_cell.length_b_esd       ? 
_cell.length_c_esd       ? 
_cell.angle_alpha_esd    ? 
_cell.angle_beta_esd     ? 
_cell.angle_gamma_esd    ? 
# 
_symmetry.entry_id                         1CXC 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
# 
_exptl.entry_id          1CXC 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   ? 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.36 
_exptl_crystal.density_percent_sol   47.92 
_exptl_crystal.description           ? 
_exptl_crystal.F_000                 ? 
_exptl_crystal.preparation           ? 
# 
_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 
# 
_reflns.entry_id                     1CXC 
_reflns.observed_criterion_sigma_I   0.0 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             29.1 
_reflns.d_resolution_high            1.53 
_reflns.number_obs                   18286 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         91.1 
_reflns.pdbx_Rmerge_I_obs            ? 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        ? 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              ? 
_reflns.R_free_details               ? 
_reflns.limit_h_max                  ? 
_reflns.limit_h_min                  ? 
_reflns.limit_k_max                  ? 
_reflns.limit_k_min                  ? 
_reflns.limit_l_max                  ? 
_reflns.limit_l_min                  ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.pdbx_chi_squared             ? 
_reflns.pdbx_scaling_rejects         ? 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
# 
_refine.entry_id                                 1CXC 
_refine.ls_number_reflns_obs                     16495 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          0.0 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             6.0 
_refine.ls_d_res_high                            1.6 
_refine.ls_percent_reflns_obs                    95.7 
_refine.ls_R_factor_obs                          0.2250000 
_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.ls_redundancy_reflns_obs                 ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.B_iso_min                                ? 
_refine.B_iso_max                                ? 
_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.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_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        919 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         43 
_refine_hist.number_atoms_solvent             24 
_refine_hist.number_atoms_total               986 
_refine_hist.d_res_high                       1.6 
_refine_hist.d_res_low                        6.0 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.pdbx_restraint_function 
t_bond_d           0.010 ? ? ? 'X-RAY DIFFRACTION' ? 
t_angle_deg        1.80  ? ? ? 'X-RAY DIFFRACTION' ? 
t_dihedral_angle_d ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_incorr_chiral_ct ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_pseud_angle      ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_trig_c_planes    ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_gen_planes       ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_it               ?     ? ? ? 'X-RAY DIFFRACTION' ? 
t_nbd              ?     ? ? ? 'X-RAY DIFFRACTION' ? 
# 
_database_PDB_matrix.entry_id          1CXC 
_database_PDB_matrix.origx[1][1]       1.000000 
_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]       1.000000 
_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]       1.000000 
_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                  1CXC 
_struct.title                     
'CRYSTALLIZATION AND X-RAY STRUCTURE DETERMINATION OF CYTOCHROME C2 FROM RHODOBACTER SPHAEROIDES IN THREE CRYSTAL FORMS' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        1CXC 
_struct_keywords.pdbx_keywords   'ELECTRON TRANSPORT (CYTOCHROME)' 
_struct_keywords.text            'ELECTRON TRANSPORT (CYTOCHROME)' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CYC2_RHOSH 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_db_accession          P00095 
_struct_ref.pdbx_align_begin           1 
_struct_ref.pdbx_seq_one_letter_code   
;MKFQVKALAAIAAFAALPALAQEGDPEAGAKAFNQCQTCHVIVDDSGTTIAGRNAKTGPNLYGVVGRTAGTQADFKGYGE
GMKEAGAKGLAWDEEHFVQYVQDPTKFLKEYTGDAKAKGKMTFKLKKEADAHNIWAYLQQVAVRP
;
_struct_ref.pdbx_db_isoform            ? 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              1CXC 
_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                 124 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00095 
_struct_ref_seq.db_align_beg                  22 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  145 
_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       124 
# 
_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,B,C 
# 
_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 
_struct_biol.details   ? 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 A PRO A 5   ? CYS A 18  ? PRO A 5   CYS A 18  1 ? 14 
HELX_P HELX_P2 B GLU A 59  ? ALA A 66  ? GLU A 59  ALA A 66  1 ? 8  
HELX_P HELX_P3 C GLU A 73  ? GLN A 81  ? GLU A 73  GLN A 81  1 ? 9  
HELX_P HELX_P4 D PRO A 83  ? THR A 91  ? PRO A 83  THR A 91  1 ? 9  
HELX_P HELX_P5 E GLU A 107 ? VAL A 120 ? GLU A 107 VAL A 120 1 ? 14 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
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 
covale1 covale none ? A CYS 15  SG  ? ? ? 1_555 B HEC . CAB ? ? A CYS 15  A HEC 125 1_555 ? ? ? ? ? ? ? 1.989 ? ? 
covale2 covale none ? A CYS 18  SG  ? ? ? 1_555 B HEC . CAC ? ? A CYS 18  A HEC 125 1_555 ? ? ? ? ? ? ? 1.965 ? ? 
metalc1 metalc ?    ? A HIS 19  NE2 ? ? ? 1_555 B HEC . FE  ? ? A HIS 19  A HEC 125 1_555 ? ? ? ? ? ? ? 2.017 ? ? 
metalc2 metalc ?    ? A MET 100 SD  ? ? ? 1_555 B HEC . FE  ? ? A MET 100 A HEC 125 1_555 ? ? ? ? ? ? ? 2.357 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  NE2 ? A HIS 19 ? A HIS 19  ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 NA ? B HEC .   ? A HEC 125 ? 1_555 89.9  ? 
2  NE2 ? A HIS 19 ? A HIS 19  ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 NB ? B HEC .   ? A HEC 125 ? 1_555 90.0  ? 
3  NA  ? B HEC .  ? A HEC 125 ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 NB ? B HEC .   ? A HEC 125 ? 1_555 89.7  ? 
4  NE2 ? A HIS 19 ? A HIS 19  ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 NC ? B HEC .   ? A HEC 125 ? 1_555 90.8  ? 
5  NA  ? B HEC .  ? A HEC 125 ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 NC ? B HEC .   ? A HEC 125 ? 1_555 179.1 ? 
6  NB  ? B HEC .  ? A HEC 125 ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 NC ? B HEC .   ? A HEC 125 ? 1_555 89.7  ? 
7  NE2 ? A HIS 19 ? A HIS 19  ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 ND ? B HEC .   ? A HEC 125 ? 1_555 88.5  ? 
8  NA  ? B HEC .  ? A HEC 125 ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 ND ? B HEC .   ? A HEC 125 ? 1_555 91.1  ? 
9  NB  ? B HEC .  ? A HEC 125 ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 ND ? B HEC .   ? A HEC 125 ? 1_555 178.2 ? 
10 NC  ? B HEC .  ? A HEC 125 ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 ND ? B HEC .   ? A HEC 125 ? 1_555 89.5  ? 
11 NE2 ? A HIS 19 ? A HIS 19  ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 SD ? A MET 100 ? A MET 100 ? 1_555 177.7 ? 
12 NA  ? B HEC .  ? A HEC 125 ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 SD ? A MET 100 ? A MET 100 ? 1_555 88.5  ? 
13 NB  ? B HEC .  ? A HEC 125 ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 SD ? A MET 100 ? A MET 100 ? 1_555 91.7  ? 
14 NC  ? B HEC .  ? A HEC 125 ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 SD ? A MET 100 ? A MET 100 ? 1_555 90.8  ? 
15 ND  ? B HEC .  ? A HEC 125 ? 1_555 FE ? B HEC . ? A HEC 125 ? 1_555 SD ? A MET 100 ? A MET 100 ? 1_555 89.8  ? 
# 
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 HEC B . ? CYS A 15 ? HEC A 125 ? 1_555 CYS A 15 ? 1_555 CAB SG CYS 2 HEC None Heme/heme-like 
2 HEC B . ? CYS A 18 ? HEC A 125 ? 1_555 CYS A 18 ? 1_555 CAC SG CYS 3 HEC None Heme/heme-like 
# 
_struct_sheet.id               A 
_struct_sheet.type             ? 
_struct_sheet.number_strands   2 
_struct_sheet.details          ? 
# 
_struct_sheet_order.sheet_id     A 
_struct_sheet_order.range_id_1   1 
_struct_sheet_order.range_id_2   2 
_struct_sheet_order.offset       ? 
_struct_sheet_order.sense        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 
A 1 ILE A 21 ? VAL A 22 ? ILE A 21 VAL A 22 
A 2 THR A 28 ? ALA A 30 ? THR A 28 ALA A 30 
# 
_pdbx_struct_sheet_hbond.sheet_id                A 
_pdbx_struct_sheet_hbond.range_id_1              1 
_pdbx_struct_sheet_hbond.range_id_2              2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id   O 
_pdbx_struct_sheet_hbond.range_1_label_comp_id   ILE 
_pdbx_struct_sheet_hbond.range_1_label_asym_id   A 
_pdbx_struct_sheet_hbond.range_1_label_seq_id    21 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id    O 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id    ILE 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id    A 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id     21 
_pdbx_struct_sheet_hbond.range_2_label_atom_id   N 
_pdbx_struct_sheet_hbond.range_2_label_comp_id   ILE 
_pdbx_struct_sheet_hbond.range_2_label_asym_id   A 
_pdbx_struct_sheet_hbond.range_2_label_seq_id    29 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code    ? 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id    N 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id    ILE 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id    A 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id     29 
# 
_struct_site.id                   AC1 
_struct_site.pdbx_evidence_code   Software 
_struct_site.pdbx_auth_asym_id    A 
_struct_site.pdbx_auth_comp_id    HEC 
_struct_site.pdbx_auth_seq_id     125 
_struct_site.pdbx_auth_ins_code   ? 
_struct_site.pdbx_num_residues    21 
_struct_site.details              'BINDING SITE FOR RESIDUE HEC A 125' 
# 
loop_
_struct_site_gen.id 
_struct_site_gen.site_id 
_struct_site_gen.pdbx_num_res 
_struct_site_gen.label_comp_id 
_struct_site_gen.label_asym_id 
_struct_site_gen.label_seq_id 
_struct_site_gen.pdbx_auth_ins_code 
_struct_site_gen.auth_comp_id 
_struct_site_gen.auth_asym_id 
_struct_site_gen.auth_seq_id 
_struct_site_gen.label_atom_id 
_struct_site_gen.label_alt_id 
_struct_site_gen.symmetry 
_struct_site_gen.details 
1  AC1 21 CYS A 15  ? CYS A 15  . ? 1_555 ? 
2  AC1 21 CYS A 18  ? CYS A 18  . ? 1_555 ? 
3  AC1 21 HIS A 19  ? HIS A 19  . ? 1_555 ? 
4  AC1 21 THR A 36  ? THR A 36  . ? 1_555 ? 
5  AC1 21 PRO A 38  ? PRO A 38  . ? 1_555 ? 
6  AC1 21 ARG A 46  ? ARG A 46  . ? 1_555 ? 
7  AC1 21 ALA A 48  ? ALA A 48  . ? 1_555 ? 
8  AC1 21 GLY A 49  ? GLY A 49  . ? 1_555 ? 
9  AC1 21 TYR A 57  ? TYR A 57  . ? 1_555 ? 
10 AC1 21 GLY A 58  ? GLY A 58  . ? 1_555 ? 
11 AC1 21 MET A 61  ? MET A 61  . ? 1_555 ? 
12 AC1 21 TRP A 71  ? TRP A 71  . ? 1_555 ? 
13 AC1 21 PHE A 76  ? PHE A 76  . ? 1_555 ? 
14 AC1 21 TYR A 79  ? TYR A 79  . ? 1_555 ? 
15 AC1 21 GLY A 98  ? GLY A 98  . ? 1_555 ? 
16 AC1 21 LYS A 99  ? LYS A 99  . ? 1_555 ? 
17 AC1 21 MET A 100 ? MET A 100 . ? 1_555 ? 
18 AC1 21 PHE A 102 ? PHE A 102 . ? 1_555 ? 
19 AC1 21 HOH C .   ? HOH A 138 . ? 1_555 ? 
20 AC1 21 HOH C .   ? HOH A 141 . ? 1_555 ? 
21 AC1 21 HOH C .   ? HOH A 142 . ? 1_555 ? 
# 
_pdbx_entry_details.entry_id                   1CXC 
_pdbx_entry_details.compound_details           ? 
_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_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 CB  A VAL 43  ? ? CA  A VAL 43  ? ? C   A VAL 43  ? ? 99.03  111.40 -12.37 1.90 N 
2 1 NE  A ARG 46  ? ? CZ  A ARG 46  ? ? NH1 A ARG 46  ? ? 124.06 120.30 3.76   0.50 N 
3 1 NE  A ARG 46  ? ? CZ  A ARG 46  ? ? NH2 A ARG 46  ? ? 113.38 120.30 -6.92  0.50 N 
4 1 CD1 A TRP 71  ? ? CG  A TRP 71  ? ? CD2 A TRP 71  ? ? 113.28 106.30 6.98   0.80 N 
5 1 CG  A TRP 71  ? ? CD1 A TRP 71  ? ? NE1 A TRP 71  ? ? 103.84 110.10 -6.26  1.00 N 
6 1 CE2 A TRP 71  ? ? CD2 A TRP 71  ? ? CG  A TRP 71  ? ? 101.59 107.30 -5.71  0.80 N 
7 1 CD1 A TRP 114 ? ? CG  A TRP 114 ? ? CD2 A TRP 114 ? ? 112.37 106.30 6.07   0.80 N 
8 1 CE2 A TRP 114 ? ? CD2 A TRP 114 ? ? CG  A TRP 114 ? ? 102.27 107.30 -5.03  0.80 N 
# 
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 ASP A 24 ? ? -67.55  0.11  
2 1 ASP A 82 ? ? -164.12 92.87 
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ASP A 4  ? ? 0.074 'SIDE CHAIN' 
2 1 ARG A 46 ? ? 0.085 'SIDE CHAIN' 
# 
loop_
_pdbx_validate_main_chain_plane.id 
_pdbx_validate_main_chain_plane.PDB_model_num 
_pdbx_validate_main_chain_plane.auth_comp_id 
_pdbx_validate_main_chain_plane.auth_asym_id 
_pdbx_validate_main_chain_plane.auth_seq_id 
_pdbx_validate_main_chain_plane.PDB_ins_code 
_pdbx_validate_main_chain_plane.label_alt_id 
_pdbx_validate_main_chain_plane.improper_torsion_angle 
1  1 GLN A 1   ? ? 17.75  
2  1 PRO A 5   ? ? 11.52  
3  1 GLY A 8   ? ? 10.60  
4  1 HIS A 19  ? ? -15.87 
5  1 VAL A 20  ? ? 14.05  
6  1 ILE A 21  ? ? 10.80  
7  1 ALA A 30  ? ? 10.85  
8  1 GLY A 31  ? ? -14.44 
9  1 VAL A 43  ? ? 16.29  
10 1 GLY A 45  ? ? -10.06 
11 1 GLY A 49  ? ? -10.26 
12 1 LYS A 55  ? ? -12.37 
13 1 GLU A 63  ? ? 11.03  
14 1 LYS A 67  ? ? 14.75  
15 1 LEU A 69  ? ? 10.49  
16 1 VAL A 77  ? ? -10.27 
17 1 GLU A 89  ? ? 10.49  
18 1 TYR A 90  ? ? 14.58  
19 1 ALA A 94  ? ? 11.34  
20 1 LYS A 95  ? ? 11.16  
21 1 THR A 101 ? ? -17.23 
22 1 PHE A 102 ? ? 10.69  
23 1 ARG A 123 ? ? 10.32  
# 
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 
HEC FE   FE N N 137 
HEC CHA  C  N N 138 
HEC CHB  C  N N 139 
HEC CHC  C  N N 140 
HEC CHD  C  N N 141 
HEC NA   N  Y N 142 
HEC C1A  C  Y N 143 
HEC C2A  C  Y N 144 
HEC C3A  C  Y N 145 
HEC C4A  C  Y N 146 
HEC CMA  C  N N 147 
HEC CAA  C  N N 148 
HEC CBA  C  N N 149 
HEC CGA  C  N N 150 
HEC O1A  O  N N 151 
HEC O2A  O  N N 152 
HEC NB   N  Y N 153 
HEC C1B  C  Y N 154 
HEC C2B  C  Y N 155 
HEC C3B  C  Y N 156 
HEC C4B  C  Y N 157 
HEC CMB  C  N N 158 
HEC CAB  C  N N 159 
HEC CBB  C  N N 160 
HEC NC   N  Y N 161 
HEC C1C  C  Y N 162 
HEC C2C  C  Y N 163 
HEC C3C  C  Y N 164 
HEC C4C  C  Y N 165 
HEC CMC  C  N N 166 
HEC CAC  C  N N 167 
HEC CBC  C  N N 168 
HEC ND   N  Y N 169 
HEC C1D  C  Y N 170 
HEC C2D  C  Y N 171 
HEC C3D  C  Y N 172 
HEC C4D  C  Y N 173 
HEC CMD  C  N N 174 
HEC CAD  C  N N 175 
HEC CBD  C  N N 176 
HEC CGD  C  N N 177 
HEC O1D  O  N N 178 
HEC O2D  O  N N 179 
HEC HHA  H  N N 180 
HEC HHB  H  N N 181 
HEC HHC  H  N N 182 
HEC HHD  H  N N 183 
HEC HMA1 H  N N 184 
HEC HMA2 H  N N 185 
HEC HMA3 H  N N 186 
HEC HAA1 H  N N 187 
HEC HAA2 H  N N 188 
HEC HBA1 H  N N 189 
HEC HBA2 H  N N 190 
HEC H2A  H  N N 191 
HEC HMB1 H  N N 192 
HEC HMB2 H  N N 193 
HEC HMB3 H  N N 194 
HEC HAB  H  N N 195 
HEC HBB1 H  N N 196 
HEC HBB2 H  N N 197 
HEC HBB3 H  N N 198 
HEC HMC1 H  N N 199 
HEC HMC2 H  N N 200 
HEC HMC3 H  N N 201 
HEC HAC  H  N N 202 
HEC HBC1 H  N N 203 
HEC HBC2 H  N N 204 
HEC HBC3 H  N N 205 
HEC HMD1 H  N N 206 
HEC HMD2 H  N N 207 
HEC HMD3 H  N N 208 
HEC HAD1 H  N N 209 
HEC HAD2 H  N N 210 
HEC HBD1 H  N N 211 
HEC HBD2 H  N N 212 
HEC H2D  H  N N 213 
HIS N    N  N N 214 
HIS CA   C  N S 215 
HIS C    C  N N 216 
HIS O    O  N N 217 
HIS CB   C  N N 218 
HIS CG   C  Y N 219 
HIS ND1  N  Y N 220 
HIS CD2  C  Y N 221 
HIS CE1  C  Y N 222 
HIS NE2  N  Y N 223 
HIS OXT  O  N N 224 
HIS H    H  N N 225 
HIS H2   H  N N 226 
HIS HA   H  N N 227 
HIS HB2  H  N N 228 
HIS HB3  H  N N 229 
HIS HD1  H  N N 230 
HIS HD2  H  N N 231 
HIS HE1  H  N N 232 
HIS HE2  H  N N 233 
HIS HXT  H  N N 234 
HOH O    O  N N 235 
HOH H1   H  N N 236 
HOH H2   H  N N 237 
ILE N    N  N N 238 
ILE CA   C  N S 239 
ILE C    C  N N 240 
ILE O    O  N N 241 
ILE CB   C  N S 242 
ILE CG1  C  N N 243 
ILE CG2  C  N N 244 
ILE CD1  C  N N 245 
ILE OXT  O  N N 246 
ILE H    H  N N 247 
ILE H2   H  N N 248 
ILE HA   H  N N 249 
ILE HB   H  N N 250 
ILE HG12 H  N N 251 
ILE HG13 H  N N 252 
ILE HG21 H  N N 253 
ILE HG22 H  N N 254 
ILE HG23 H  N N 255 
ILE HD11 H  N N 256 
ILE HD12 H  N N 257 
ILE HD13 H  N N 258 
ILE HXT  H  N N 259 
LEU N    N  N N 260 
LEU CA   C  N S 261 
LEU C    C  N N 262 
LEU O    O  N N 263 
LEU CB   C  N N 264 
LEU CG   C  N N 265 
LEU CD1  C  N N 266 
LEU CD2  C  N N 267 
LEU OXT  O  N N 268 
LEU H    H  N N 269 
LEU H2   H  N N 270 
LEU HA   H  N N 271 
LEU HB2  H  N N 272 
LEU HB3  H  N N 273 
LEU HG   H  N N 274 
LEU HD11 H  N N 275 
LEU HD12 H  N N 276 
LEU HD13 H  N N 277 
LEU HD21 H  N N 278 
LEU HD22 H  N N 279 
LEU HD23 H  N N 280 
LEU HXT  H  N N 281 
LYS N    N  N N 282 
LYS CA   C  N S 283 
LYS C    C  N N 284 
LYS O    O  N N 285 
LYS CB   C  N N 286 
LYS CG   C  N N 287 
LYS CD   C  N N 288 
LYS CE   C  N N 289 
LYS NZ   N  N N 290 
LYS OXT  O  N N 291 
LYS H    H  N N 292 
LYS H2   H  N N 293 
LYS HA   H  N N 294 
LYS HB2  H  N N 295 
LYS HB3  H  N N 296 
LYS HG2  H  N N 297 
LYS HG3  H  N N 298 
LYS HD2  H  N N 299 
LYS HD3  H  N N 300 
LYS HE2  H  N N 301 
LYS HE3  H  N N 302 
LYS HZ1  H  N N 303 
LYS HZ2  H  N N 304 
LYS HZ3  H  N N 305 
LYS HXT  H  N N 306 
MET N    N  N N 307 
MET CA   C  N S 308 
MET C    C  N N 309 
MET O    O  N N 310 
MET CB   C  N N 311 
MET CG   C  N N 312 
MET SD   S  N N 313 
MET CE   C  N N 314 
MET OXT  O  N N 315 
MET H    H  N N 316 
MET H2   H  N N 317 
MET HA   H  N N 318 
MET HB2  H  N N 319 
MET HB3  H  N N 320 
MET HG2  H  N N 321 
MET HG3  H  N N 322 
MET HE1  H  N N 323 
MET HE2  H  N N 324 
MET HE3  H  N N 325 
MET HXT  H  N N 326 
PHE N    N  N N 327 
PHE CA   C  N S 328 
PHE C    C  N N 329 
PHE O    O  N N 330 
PHE CB   C  N N 331 
PHE CG   C  Y N 332 
PHE CD1  C  Y N 333 
PHE CD2  C  Y N 334 
PHE CE1  C  Y N 335 
PHE CE2  C  Y N 336 
PHE CZ   C  Y N 337 
PHE OXT  O  N N 338 
PHE H    H  N N 339 
PHE H2   H  N N 340 
PHE HA   H  N N 341 
PHE HB2  H  N N 342 
PHE HB3  H  N N 343 
PHE HD1  H  N N 344 
PHE HD2  H  N N 345 
PHE HE1  H  N N 346 
PHE HE2  H  N N 347 
PHE HZ   H  N N 348 
PHE HXT  H  N N 349 
PRO N    N  N N 350 
PRO CA   C  N S 351 
PRO C    C  N N 352 
PRO O    O  N N 353 
PRO CB   C  N N 354 
PRO CG   C  N N 355 
PRO CD   C  N N 356 
PRO OXT  O  N N 357 
PRO H    H  N N 358 
PRO HA   H  N N 359 
PRO HB2  H  N N 360 
PRO HB3  H  N N 361 
PRO HG2  H  N N 362 
PRO HG3  H  N N 363 
PRO HD2  H  N N 364 
PRO HD3  H  N N 365 
PRO HXT  H  N N 366 
SER N    N  N N 367 
SER CA   C  N S 368 
SER C    C  N N 369 
SER O    O  N N 370 
SER CB   C  N N 371 
SER OG   O  N N 372 
SER OXT  O  N N 373 
SER H    H  N N 374 
SER H2   H  N N 375 
SER HA   H  N N 376 
SER HB2  H  N N 377 
SER HB3  H  N N 378 
SER HG   H  N N 379 
SER HXT  H  N N 380 
THR N    N  N N 381 
THR CA   C  N S 382 
THR C    C  N N 383 
THR O    O  N N 384 
THR CB   C  N R 385 
THR OG1  O  N N 386 
THR CG2  C  N N 387 
THR OXT  O  N N 388 
THR H    H  N N 389 
THR H2   H  N N 390 
THR HA   H  N N 391 
THR HB   H  N N 392 
THR HG1  H  N N 393 
THR HG21 H  N N 394 
THR HG22 H  N N 395 
THR HG23 H  N N 396 
THR HXT  H  N N 397 
TRP N    N  N N 398 
TRP CA   C  N S 399 
TRP C    C  N N 400 
TRP O    O  N N 401 
TRP CB   C  N N 402 
TRP CG   C  Y N 403 
TRP CD1  C  Y N 404 
TRP CD2  C  Y N 405 
TRP NE1  N  Y N 406 
TRP CE2  C  Y N 407 
TRP CE3  C  Y N 408 
TRP CZ2  C  Y N 409 
TRP CZ3  C  Y N 410 
TRP CH2  C  Y N 411 
TRP OXT  O  N N 412 
TRP H    H  N N 413 
TRP H2   H  N N 414 
TRP HA   H  N N 415 
TRP HB2  H  N N 416 
TRP HB3  H  N N 417 
TRP HD1  H  N N 418 
TRP HE1  H  N N 419 
TRP HE3  H  N N 420 
TRP HZ2  H  N N 421 
TRP HZ3  H  N N 422 
TRP HH2  H  N N 423 
TRP HXT  H  N N 424 
TYR N    N  N N 425 
TYR CA   C  N S 426 
TYR C    C  N N 427 
TYR O    O  N N 428 
TYR CB   C  N N 429 
TYR CG   C  Y N 430 
TYR CD1  C  Y N 431 
TYR CD2  C  Y N 432 
TYR CE1  C  Y N 433 
TYR CE2  C  Y N 434 
TYR CZ   C  Y N 435 
TYR OH   O  N N 436 
TYR OXT  O  N N 437 
TYR H    H  N N 438 
TYR H2   H  N N 439 
TYR HA   H  N N 440 
TYR HB2  H  N N 441 
TYR HB3  H  N N 442 
TYR HD1  H  N N 443 
TYR HD2  H  N N 444 
TYR HE1  H  N N 445 
TYR HE2  H  N N 446 
TYR HH   H  N N 447 
TYR HXT  H  N N 448 
VAL N    N  N N 449 
VAL CA   C  N S 450 
VAL C    C  N N 451 
VAL O    O  N N 452 
VAL CB   C  N N 453 
VAL CG1  C  N N 454 
VAL CG2  C  N N 455 
VAL OXT  O  N N 456 
VAL H    H  N N 457 
VAL H2   H  N N 458 
VAL HA   H  N N 459 
VAL HB   H  N N 460 
VAL HG11 H  N N 461 
VAL HG12 H  N N 462 
VAL HG13 H  N N 463 
VAL HG21 H  N N 464 
VAL HG22 H  N N 465 
VAL HG23 H  N N 466 
VAL HXT  H  N N 467 
# 
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 
HEC FE  NA   sing N N 129 
HEC FE  NB   sing N N 130 
HEC FE  NC   sing N N 131 
HEC FE  ND   sing N N 132 
HEC CHA C1A  doub N N 133 
HEC CHA C4D  sing N N 134 
HEC CHA HHA  sing N N 135 
HEC CHB C4A  doub N N 136 
HEC CHB C1B  sing N N 137 
HEC CHB HHB  sing N N 138 
HEC CHC C4B  doub N N 139 
HEC CHC C1C  sing N N 140 
HEC CHC HHC  sing N N 141 
HEC CHD C4C  doub N N 142 
HEC CHD C1D  sing N N 143 
HEC CHD HHD  sing N N 144 
HEC NA  C1A  sing Y N 145 
HEC NA  C4A  sing Y N 146 
HEC C1A C2A  sing Y N 147 
HEC C2A C3A  doub Y N 148 
HEC C2A CAA  sing N N 149 
HEC C3A C4A  sing Y N 150 
HEC C3A CMA  sing N N 151 
HEC CMA HMA1 sing N N 152 
HEC CMA HMA2 sing N N 153 
HEC CMA HMA3 sing N N 154 
HEC CAA CBA  sing N N 155 
HEC CAA HAA1 sing N N 156 
HEC CAA HAA2 sing N N 157 
HEC CBA CGA  sing N N 158 
HEC CBA HBA1 sing N N 159 
HEC CBA HBA2 sing N N 160 
HEC CGA O1A  doub N N 161 
HEC CGA O2A  sing N N 162 
HEC O2A H2A  sing N N 163 
HEC NB  C1B  sing Y N 164 
HEC NB  C4B  sing Y N 165 
HEC C1B C2B  doub Y N 166 
HEC C2B C3B  sing Y N 167 
HEC C2B CMB  sing N N 168 
HEC C3B C4B  sing Y N 169 
HEC C3B CAB  doub N E 170 
HEC CMB HMB1 sing N N 171 
HEC CMB HMB2 sing N N 172 
HEC CMB HMB3 sing N N 173 
HEC CAB CBB  sing N N 174 
HEC CAB HAB  sing N N 175 
HEC CBB HBB1 sing N N 176 
HEC CBB HBB2 sing N N 177 
HEC CBB HBB3 sing N N 178 
HEC NC  C1C  sing Y N 179 
HEC NC  C4C  sing Y N 180 
HEC C1C C2C  doub Y N 181 
HEC C2C C3C  sing Y N 182 
HEC C2C CMC  sing N N 183 
HEC C3C C4C  sing Y N 184 
HEC C3C CAC  doub N E 185 
HEC CMC HMC1 sing N N 186 
HEC CMC HMC2 sing N N 187 
HEC CMC HMC3 sing N N 188 
HEC CAC CBC  sing N N 189 
HEC CAC HAC  sing N N 190 
HEC CBC HBC1 sing N N 191 
HEC CBC HBC2 sing N N 192 
HEC CBC HBC3 sing N N 193 
HEC ND  C1D  sing Y N 194 
HEC ND  C4D  sing Y N 195 
HEC C1D C2D  doub Y N 196 
HEC C2D C3D  sing Y N 197 
HEC C2D CMD  sing N N 198 
HEC C3D C4D  doub Y N 199 
HEC C3D CAD  sing N N 200 
HEC CMD HMD1 sing N N 201 
HEC CMD HMD2 sing N N 202 
HEC CMD HMD3 sing N N 203 
HEC CAD CBD  sing N N 204 
HEC CAD HAD1 sing N N 205 
HEC CAD HAD2 sing N N 206 
HEC CBD CGD  sing N N 207 
HEC CBD HBD1 sing N N 208 
HEC CBD HBD2 sing N N 209 
HEC CGD O1D  doub N N 210 
HEC CGD O2D  sing N N 211 
HEC O2D H2D  sing N N 212 
HIS N   CA   sing N N 213 
HIS N   H    sing N N 214 
HIS N   H2   sing N N 215 
HIS CA  C    sing N N 216 
HIS CA  CB   sing N N 217 
HIS CA  HA   sing N N 218 
HIS C   O    doub N N 219 
HIS C   OXT  sing N N 220 
HIS CB  CG   sing N N 221 
HIS CB  HB2  sing N N 222 
HIS CB  HB3  sing N N 223 
HIS CG  ND1  sing Y N 224 
HIS CG  CD2  doub Y N 225 
HIS ND1 CE1  doub Y N 226 
HIS ND1 HD1  sing N N 227 
HIS CD2 NE2  sing Y N 228 
HIS CD2 HD2  sing N N 229 
HIS CE1 NE2  sing Y N 230 
HIS CE1 HE1  sing N N 231 
HIS NE2 HE2  sing N N 232 
HIS OXT HXT  sing N N 233 
HOH O   H1   sing N N 234 
HOH O   H2   sing N N 235 
ILE N   CA   sing N N 236 
ILE N   H    sing N N 237 
ILE N   H2   sing N N 238 
ILE CA  C    sing N N 239 
ILE CA  CB   sing N N 240 
ILE CA  HA   sing N N 241 
ILE C   O    doub N N 242 
ILE C   OXT  sing N N 243 
ILE CB  CG1  sing N N 244 
ILE CB  CG2  sing N N 245 
ILE CB  HB   sing N N 246 
ILE CG1 CD1  sing N N 247 
ILE CG1 HG12 sing N N 248 
ILE CG1 HG13 sing N N 249 
ILE CG2 HG21 sing N N 250 
ILE CG2 HG22 sing N N 251 
ILE CG2 HG23 sing N N 252 
ILE CD1 HD11 sing N N 253 
ILE CD1 HD12 sing N N 254 
ILE CD1 HD13 sing N N 255 
ILE OXT HXT  sing N N 256 
LEU N   CA   sing N N 257 
LEU N   H    sing N N 258 
LEU N   H2   sing N N 259 
LEU CA  C    sing N N 260 
LEU CA  CB   sing N N 261 
LEU CA  HA   sing N N 262 
LEU C   O    doub N N 263 
LEU C   OXT  sing N N 264 
LEU CB  CG   sing N N 265 
LEU CB  HB2  sing N N 266 
LEU CB  HB3  sing N N 267 
LEU CG  CD1  sing N N 268 
LEU CG  CD2  sing N N 269 
LEU CG  HG   sing N N 270 
LEU CD1 HD11 sing N N 271 
LEU CD1 HD12 sing N N 272 
LEU CD1 HD13 sing N N 273 
LEU CD2 HD21 sing N N 274 
LEU CD2 HD22 sing N N 275 
LEU CD2 HD23 sing N N 276 
LEU OXT HXT  sing N N 277 
LYS N   CA   sing N N 278 
LYS N   H    sing N N 279 
LYS N   H2   sing N N 280 
LYS CA  C    sing N N 281 
LYS CA  CB   sing N N 282 
LYS CA  HA   sing N N 283 
LYS C   O    doub N N 284 
LYS C   OXT  sing N N 285 
LYS CB  CG   sing N N 286 
LYS CB  HB2  sing N N 287 
LYS CB  HB3  sing N N 288 
LYS CG  CD   sing N N 289 
LYS CG  HG2  sing N N 290 
LYS CG  HG3  sing N N 291 
LYS CD  CE   sing N N 292 
LYS CD  HD2  sing N N 293 
LYS CD  HD3  sing N N 294 
LYS CE  NZ   sing N N 295 
LYS CE  HE2  sing N N 296 
LYS CE  HE3  sing N N 297 
LYS NZ  HZ1  sing N N 298 
LYS NZ  HZ2  sing N N 299 
LYS NZ  HZ3  sing N N 300 
LYS OXT HXT  sing N N 301 
MET N   CA   sing N N 302 
MET N   H    sing N N 303 
MET N   H2   sing N N 304 
MET CA  C    sing N N 305 
MET CA  CB   sing N N 306 
MET CA  HA   sing N N 307 
MET C   O    doub N N 308 
MET C   OXT  sing N N 309 
MET CB  CG   sing N N 310 
MET CB  HB2  sing N N 311 
MET CB  HB3  sing N N 312 
MET CG  SD   sing N N 313 
MET CG  HG2  sing N N 314 
MET CG  HG3  sing N N 315 
MET SD  CE   sing N N 316 
MET CE  HE1  sing N N 317 
MET CE  HE2  sing N N 318 
MET CE  HE3  sing N N 319 
MET OXT HXT  sing N N 320 
PHE N   CA   sing N N 321 
PHE N   H    sing N N 322 
PHE N   H2   sing N N 323 
PHE CA  C    sing N N 324 
PHE CA  CB   sing N N 325 
PHE CA  HA   sing N N 326 
PHE C   O    doub N N 327 
PHE C   OXT  sing N N 328 
PHE CB  CG   sing N N 329 
PHE CB  HB2  sing N N 330 
PHE CB  HB3  sing N N 331 
PHE CG  CD1  doub Y N 332 
PHE CG  CD2  sing Y N 333 
PHE CD1 CE1  sing Y N 334 
PHE CD1 HD1  sing N N 335 
PHE CD2 CE2  doub Y N 336 
PHE CD2 HD2  sing N N 337 
PHE CE1 CZ   doub Y N 338 
PHE CE1 HE1  sing N N 339 
PHE CE2 CZ   sing Y N 340 
PHE CE2 HE2  sing N N 341 
PHE CZ  HZ   sing N N 342 
PHE OXT HXT  sing N N 343 
PRO N   CA   sing N N 344 
PRO N   CD   sing N N 345 
PRO N   H    sing N N 346 
PRO CA  C    sing N N 347 
PRO CA  CB   sing N N 348 
PRO CA  HA   sing N N 349 
PRO C   O    doub N N 350 
PRO C   OXT  sing N N 351 
PRO CB  CG   sing N N 352 
PRO CB  HB2  sing N N 353 
PRO CB  HB3  sing N N 354 
PRO CG  CD   sing N N 355 
PRO CG  HG2  sing N N 356 
PRO CG  HG3  sing N N 357 
PRO CD  HD2  sing N N 358 
PRO CD  HD3  sing N N 359 
PRO OXT HXT  sing N N 360 
SER N   CA   sing N N 361 
SER N   H    sing N N 362 
SER N   H2   sing N N 363 
SER CA  C    sing N N 364 
SER CA  CB   sing N N 365 
SER CA  HA   sing N N 366 
SER C   O    doub N N 367 
SER C   OXT  sing N N 368 
SER CB  OG   sing N N 369 
SER CB  HB2  sing N N 370 
SER CB  HB3  sing N N 371 
SER OG  HG   sing N N 372 
SER OXT HXT  sing N N 373 
THR N   CA   sing N N 374 
THR N   H    sing N N 375 
THR N   H2   sing N N 376 
THR CA  C    sing N N 377 
THR CA  CB   sing N N 378 
THR CA  HA   sing N N 379 
THR C   O    doub N N 380 
THR C   OXT  sing N N 381 
THR CB  OG1  sing N N 382 
THR CB  CG2  sing N N 383 
THR CB  HB   sing N N 384 
THR OG1 HG1  sing N N 385 
THR CG2 HG21 sing N N 386 
THR CG2 HG22 sing N N 387 
THR CG2 HG23 sing N N 388 
THR OXT HXT  sing N N 389 
TRP N   CA   sing N N 390 
TRP N   H    sing N N 391 
TRP N   H2   sing N N 392 
TRP CA  C    sing N N 393 
TRP CA  CB   sing N N 394 
TRP CA  HA   sing N N 395 
TRP C   O    doub N N 396 
TRP C   OXT  sing N N 397 
TRP CB  CG   sing N N 398 
TRP CB  HB2  sing N N 399 
TRP CB  HB3  sing N N 400 
TRP CG  CD1  doub Y N 401 
TRP CG  CD2  sing Y N 402 
TRP CD1 NE1  sing Y N 403 
TRP CD1 HD1  sing N N 404 
TRP CD2 CE2  doub Y N 405 
TRP CD2 CE3  sing Y N 406 
TRP NE1 CE2  sing Y N 407 
TRP NE1 HE1  sing N N 408 
TRP CE2 CZ2  sing Y N 409 
TRP CE3 CZ3  doub Y N 410 
TRP CE3 HE3  sing N N 411 
TRP CZ2 CH2  doub Y N 412 
TRP CZ2 HZ2  sing N N 413 
TRP CZ3 CH2  sing Y N 414 
TRP CZ3 HZ3  sing N N 415 
TRP CH2 HH2  sing N N 416 
TRP OXT HXT  sing N N 417 
TYR N   CA   sing N N 418 
TYR N   H    sing N N 419 
TYR N   H2   sing N N 420 
TYR CA  C    sing N N 421 
TYR CA  CB   sing N N 422 
TYR CA  HA   sing N N 423 
TYR C   O    doub N N 424 
TYR C   OXT  sing N N 425 
TYR CB  CG   sing N N 426 
TYR CB  HB2  sing N N 427 
TYR CB  HB3  sing N N 428 
TYR CG  CD1  doub Y N 429 
TYR CG  CD2  sing Y N 430 
TYR CD1 CE1  sing Y N 431 
TYR CD1 HD1  sing N N 432 
TYR CD2 CE2  doub Y N 433 
TYR CD2 HD2  sing N N 434 
TYR CE1 CZ   doub Y N 435 
TYR CE1 HE1  sing N N 436 
TYR CE2 CZ   sing Y N 437 
TYR CE2 HE2  sing N N 438 
TYR CZ  OH   sing N N 439 
TYR OH  HH   sing N N 440 
TYR OXT HXT  sing N N 441 
VAL N   CA   sing N N 442 
VAL N   H    sing N N 443 
VAL N   H2   sing N N 444 
VAL CA  C    sing N N 445 
VAL CA  CB   sing N N 446 
VAL CA  HA   sing N N 447 
VAL C   O    doub N N 448 
VAL C   OXT  sing N N 449 
VAL CB  CG1  sing N N 450 
VAL CB  CG2  sing N N 451 
VAL CB  HB   sing N N 452 
VAL CG1 HG11 sing N N 453 
VAL CG1 HG12 sing N N 454 
VAL CG1 HG13 sing N N 455 
VAL CG2 HG21 sing N N 456 
VAL CG2 HG22 sing N N 457 
VAL CG2 HG23 sing N N 458 
VAL OXT HXT  sing N N 459 
# 
_atom_sites.entry_id                    1CXC 
_atom_sites.fract_transf_matrix[1][1]   0.012146 
_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]   0.012146 
_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]   0.026589 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C  
FE 
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   . GLN A 1 1   ? 72.986 9.514  12.584 1.00 19.04 ? 1   GLN A N   1 
ATOM   2   C  CA  . GLN A 1 1   ? 72.613 8.287  11.921 1.00 22.14 ? 1   GLN A CA  1 
ATOM   3   C  C   . GLN A 1 1   ? 72.820 6.966  12.585 1.00 20.94 ? 1   GLN A C   1 
ATOM   4   O  O   . GLN A 1 1   ? 71.805 6.316  12.733 1.00 23.24 ? 1   GLN A O   1 
ATOM   5   C  CB  . GLN A 1 1   ? 73.162 8.175  10.565 1.00 22.35 ? 1   GLN A CB  1 
ATOM   6   C  CG  . GLN A 1 1   ? 71.914 8.148  9.761  1.00 20.39 ? 1   GLN A CG  1 
ATOM   7   C  CD  . GLN A 1 1   ? 71.019 9.249  10.203 1.00 21.52 ? 1   GLN A CD  1 
ATOM   8   O  OE1 . GLN A 1 1   ? 71.227 9.915  11.238 1.00 27.78 ? 1   GLN A OE1 1 
ATOM   9   N  NE2 . GLN A 1 1   ? 70.002 9.500  9.428  1.00 21.87 ? 1   GLN A NE2 1 
ATOM   10  N  N   . GLU A 1 2   ? 73.954 6.297  12.437 1.00 18.91 ? 2   GLU A N   1 
ATOM   11  C  CA  . GLU A 1 2   ? 74.041 5.046  13.172 1.00 19.83 ? 2   GLU A CA  1 
ATOM   12  C  C   . GLU A 1 2   ? 74.523 5.258  14.598 1.00 18.23 ? 2   GLU A C   1 
ATOM   13  O  O   . GLU A 1 2   ? 74.435 4.358  15.438 1.00 19.33 ? 2   GLU A O   1 
ATOM   14  C  CB  . GLU A 1 2   ? 74.943 4.075  12.454 1.00 25.35 ? 2   GLU A CB  1 
ATOM   15  C  CG  . GLU A 1 2   ? 74.318 3.724  11.118 1.00 36.42 ? 2   GLU A CG  1 
ATOM   16  C  CD  . GLU A 1 2   ? 74.307 2.244  10.828 1.00 38.66 ? 2   GLU A CD  1 
ATOM   17  O  OE1 . GLU A 1 2   ? 75.377 1.732  10.508 1.00 46.84 ? 2   GLU A OE1 1 
ATOM   18  O  OE2 . GLU A 1 2   ? 73.227 1.726  10.575 1.00 42.08 ? 2   GLU A OE2 1 
ATOM   19  N  N   . GLY A 1 3   ? 74.772 6.512  14.944 1.00 16.06 ? 3   GLY A N   1 
ATOM   20  C  CA  . GLY A 1 3   ? 75.234 6.851  16.276 1.00 15.82 ? 3   GLY A CA  1 
ATOM   21  C  C   . GLY A 1 3   ? 74.097 6.839  17.277 1.00 15.07 ? 3   GLY A C   1 
ATOM   22  O  O   . GLY A 1 3   ? 72.925 6.721  16.928 1.00 15.65 ? 3   GLY A O   1 
ATOM   23  N  N   . ASP A 1 4   ? 74.438 6.916  18.557 1.00 14.63 ? 4   ASP A N   1 
ATOM   24  C  CA  . ASP A 1 4   ? 73.421 6.903  19.601 1.00 16.55 ? 4   ASP A CA  1 
ATOM   25  C  C   . ASP A 1 4   ? 73.183 8.306  20.119 1.00 14.81 ? 4   ASP A C   1 
ATOM   26  O  O   . ASP A 1 4   ? 74.103 8.931  20.632 1.00 14.62 ? 4   ASP A O   1 
ATOM   27  C  CB  . ASP A 1 4   ? 73.933 6.017  20.741 1.00 19.46 ? 4   ASP A CB  1 
ATOM   28  C  CG  . ASP A 1 4   ? 73.271 6.177  22.103 1.00 20.96 ? 4   ASP A CG  1 
ATOM   29  O  OD1 . ASP A 1 4   ? 72.153 6.662  22.162 1.00 20.02 ? 4   ASP A OD1 1 
ATOM   30  O  OD2 . ASP A 1 4   ? 73.666 5.409  22.963 1.00 21.99 ? 4   ASP A OD2 1 
ATOM   31  N  N   . PRO A 1 5   ? 72.040 8.903  19.808 1.00 14.59 ? 5   PRO A N   1 
ATOM   32  C  CA  . PRO A 1 5   ? 71.749 10.269 20.190 1.00 14.46 ? 5   PRO A CA  1 
ATOM   33  C  C   . PRO A 1 5   ? 71.828 10.545 21.693 1.00 15.68 ? 5   PRO A C   1 
ATOM   34  O  O   . PRO A 1 5   ? 71.958 11.714 22.064 1.00 14.12 ? 5   PRO A O   1 
ATOM   35  C  CB  . PRO A 1 5   ? 70.357 10.522 19.642 1.00 12.41 ? 5   PRO A CB  1 
ATOM   36  C  CG  . PRO A 1 5   ? 69.749 9.197  19.277 1.00 14.45 ? 5   PRO A CG  1 
ATOM   37  C  CD  . PRO A 1 5   ? 70.850 8.161  19.401 1.00 15.20 ? 5   PRO A CD  1 
ATOM   38  N  N   . GLU A 1 6   ? 71.339 9.620  22.543 1.00 16.26 ? 6   GLU A N   1 
ATOM   39  C  CA  . GLU A 1 6   ? 71.379 9.868  23.983 1.00 19.21 ? 6   GLU A CA  1 
ATOM   40  C  C   . GLU A 1 6   ? 72.816 9.929  24.460 1.00 17.30 ? 6   GLU A C   1 
ATOM   41  O  O   . GLU A 1 6   ? 73.162 10.715 25.346 1.00 15.53 ? 6   GLU A O   1 
ATOM   42  C  CB  . GLU A 1 6   ? 70.618 8.785  24.740 1.00 22.78 ? 6   GLU A CB  1 
ATOM   43  C  CG  . GLU A 1 6   ? 69.230 8.545  24.176 1.00 30.55 ? 6   GLU A CG  1 
ATOM   44  C  CD  . GLU A 1 6   ? 68.442 7.516  24.967 1.00 35.81 ? 6   GLU A CD  1 
ATOM   45  O  OE1 . GLU A 1 6   ? 68.748 6.326  24.839 1.00 38.13 ? 6   GLU A OE1 1 
ATOM   46  O  OE2 . GLU A 1 6   ? 67.779 7.927  25.920 1.00 36.99 ? 6   GLU A OE2 1 
ATOM   47  N  N   . ALA A 1 7   ? 73.656 9.000  23.991 1.00 15.41 ? 7   ALA A N   1 
ATOM   48  C  CA  . ALA A 1 7   ? 75.047 9.060  24.356 1.00 14.40 ? 7   ALA A CA  1 
ATOM   49  C  C   . ALA A 1 7   ? 75.601 10.348 23.768 1.00 14.71 ? 7   ALA A C   1 
ATOM   50  O  O   . ALA A 1 7   ? 76.522 10.970 24.295 1.00 18.09 ? 7   ALA A O   1 
ATOM   51  C  CB  . ALA A 1 7   ? 75.801 7.895  23.748 1.00 13.30 ? 7   ALA A CB  1 
ATOM   52  N  N   . GLY A 1 8   ? 75.129 10.741 22.585 1.00 14.04 ? 8   GLY A N   1 
ATOM   53  C  CA  . GLY A 1 8   ? 75.595 11.993 21.998 1.00 12.43 ? 8   GLY A CA  1 
ATOM   54  C  C   . GLY A 1 8   ? 75.270 13.186 22.884 1.00 13.55 ? 8   GLY A C   1 
ATOM   55  O  O   . GLY A 1 8   ? 75.988 14.181 22.839 1.00 13.13 ? 8   GLY A O   1 
ATOM   56  N  N   . ALA A 1 9   ? 74.027 13.279 23.372 1.00 13.32 ? 9   ALA A N   1 
ATOM   57  C  CA  . ALA A 1 9   ? 73.649 14.389 24.238 1.00 13.47 ? 9   ALA A CA  1 
ATOM   58  C  C   . ALA A 1 9   ? 74.642 14.544 25.377 1.00 14.06 ? 9   ALA A C   1 
ATOM   59  O  O   . ALA A 1 9   ? 74.845 15.657 25.844 1.00 14.27 ? 9   ALA A O   1 
ATOM   60  C  CB  . ALA A 1 9   ? 72.281 14.126 24.849 1.00 11.44 ? 9   ALA A CB  1 
ATOM   61  N  N   . LYS A 1 10  ? 75.051 13.425 26.011 1.00 15.99 ? 10  LYS A N   1 
ATOM   62  C  CA  . LYS A 1 10  ? 76.020 13.493 27.094 1.00 15.74 ? 10  LYS A CA  1 
ATOM   63  C  C   . LYS A 1 10  ? 77.364 13.950 26.592 1.00 14.92 ? 10  LYS A C   1 
ATOM   64  O  O   . LYS A 1 10  ? 78.099 14.683 27.247 1.00 15.82 ? 10  LYS A O   1 
ATOM   65  C  CB  . LYS A 1 10  ? 76.213 12.127 27.714 1.00 17.47 ? 10  LYS A CB  1 
ATOM   66  C  CG  . LYS A 1 10  ? 77.126 12.177 28.934 1.00 22.28 ? 10  LYS A CG  1 
ATOM   67  C  CD  . LYS A 1 10  ? 77.300 10.767 29.492 1.00 28.27 ? 10  LYS A CD  1 
ATOM   68  C  CE  . LYS A 1 10  ? 77.825 10.805 30.922 1.00 27.98 ? 10  LYS A CE  1 
ATOM   69  N  N   . ALA A 1 11  ? 77.805 13.399 25.472 1.00 14.06 ? 11  ALA A N   1 
ATOM   70  C  CA  . ALA A 1 11  ? 79.097 13.786 24.937 1.00 14.54 ? 11  ALA A CA  1 
ATOM   71  C  C   . ALA A 1 11  ? 79.151 15.246 24.494 1.00 14.49 ? 11  ALA A C   1 
ATOM   72  O  O   . ALA A 1 11  ? 80.201 15.887 24.574 1.00 15.61 ? 11  ALA A O   1 
ATOM   73  C  CB  . ALA A 1 11  ? 79.395 12.888 23.740 1.00 14.35 ? 11  ALA A CB  1 
ATOM   74  N  N   . PHE A 1 12  ? 77.982 15.848 24.263 1.00 13.23 ? 12  PHE A N   1 
ATOM   75  C  CA  . PHE A 1 12  ? 77.893 17.241 23.838 1.00 13.64 ? 12  PHE A CA  1 
ATOM   76  C  C   . PHE A 1 12  ? 78.206 18.228 24.969 1.00 14.67 ? 12  PHE A C   1 
ATOM   77  O  O   . PHE A 1 12  ? 78.479 19.413 24.758 1.00 11.61 ? 12  PHE A O   1 
ATOM   78  C  CB  . PHE A 1 12  ? 76.500 17.511 23.266 1.00 13.67 ? 12  PHE A CB  1 
ATOM   79  C  CG  . PHE A 1 12  ? 76.373 18.860 22.577 1.00 13.39 ? 12  PHE A CG  1 
ATOM   80  C  CD1 . PHE A 1 12  ? 77.027 19.078 21.377 1.00 13.19 ? 12  PHE A CD1 1 
ATOM   81  C  CD2 . PHE A 1 12  ? 75.714 19.891 23.207 1.00 13.62 ? 12  PHE A CD2 1 
ATOM   82  C  CE1 . PHE A 1 12  ? 77.037 20.343 20.822 1.00 14.27 ? 12  PHE A CE1 1 
ATOM   83  C  CE2 . PHE A 1 12  ? 75.730 21.156 22.658 1.00 16.54 ? 12  PHE A CE2 1 
ATOM   84  C  CZ  . PHE A 1 12  ? 76.394 21.386 21.466 1.00 16.56 ? 12  PHE A CZ  1 
ATOM   85  N  N   . ASN A 1 13  ? 78.258 17.760 26.216 1.00 18.21 ? 13  ASN A N   1 
ATOM   86  C  CA  . ASN A 1 13  ? 78.585 18.682 27.287 1.00 19.50 ? 13  ASN A CA  1 
ATOM   87  C  C   . ASN A 1 13  ? 79.938 19.276 27.035 1.00 17.64 ? 13  ASN A C   1 
ATOM   88  O  O   . ASN A 1 13  ? 80.189 20.387 27.449 1.00 18.35 ? 13  ASN A O   1 
ATOM   89  C  CB  . ASN A 1 13  ? 78.673 17.992 28.635 1.00 23.21 ? 13  ASN A CB  1 
ATOM   90  C  CG  . ASN A 1 13  ? 77.392 17.323 29.093 1.00 27.01 ? 13  ASN A CG  1 
ATOM   91  O  OD1 . ASN A 1 13  ? 77.441 16.244 29.687 1.00 30.55 ? 13  ASN A OD1 1 
ATOM   92  N  ND2 . ASN A 1 13  ? 76.224 17.926 28.851 1.00 29.14 ? 13  ASN A ND2 1 
ATOM   93  N  N   . GLN A 1 14  ? 80.883 18.517 26.481 1.00 17.89 ? 14  GLN A N   1 
ATOM   94  C  CA  . GLN A 1 14  ? 82.211 19.070 26.239 1.00 19.86 ? 14  GLN A CA  1 
ATOM   95  C  C   . GLN A 1 14  ? 82.176 20.298 25.345 1.00 19.50 ? 14  GLN A C   1 
ATOM   96  O  O   . GLN A 1 14  ? 83.108 21.101 25.331 1.00 21.85 ? 14  GLN A O   1 
ATOM   97  C  CB  . GLN A 1 14  ? 83.135 18.080 25.555 1.00 24.05 ? 14  GLN A CB  1 
ATOM   98  C  CG  . GLN A 1 14  ? 82.642 16.648 25.467 1.00 33.25 ? 14  GLN A CG  1 
ATOM   99  C  CD  . GLN A 1 14  ? 83.774 15.679 25.148 1.00 36.29 ? 14  GLN A CD  1 
ATOM   100 O  OE1 . GLN A 1 14  ? 84.955 16.003 25.289 1.00 37.56 ? 14  GLN A OE1 1 
ATOM   101 N  NE2 . GLN A 1 14  ? 83.449 14.465 24.713 1.00 37.45 ? 14  GLN A NE2 1 
ATOM   102 N  N   . CYS A 1 15  ? 81.271 20.287 24.383 1.00 15.13 ? 15  CYS A N   1 
ATOM   103 C  CA  . CYS A 1 15  ? 81.134 21.384 23.444 1.00 14.22 ? 15  CYS A CA  1 
ATOM   104 C  C   . CYS A 1 15  ? 80.490 22.624 24.043 1.00 13.72 ? 15  CYS A C   1 
ATOM   105 O  O   . CYS A 1 15  ? 80.690 23.716 23.529 1.00 11.68 ? 15  CYS A O   1 
ATOM   106 C  CB  . CYS A 1 15  ? 80.246 20.941 22.279 1.00 11.06 ? 15  CYS A CB  1 
ATOM   107 S  SG  . CYS A 1 15  ? 80.572 19.288 21.633 1.00 12.20 ? 15  CYS A SG  1 
ATOM   108 N  N   . GLN A 1 16  ? 79.798 22.496 25.189 1.00 13.37 ? 16  GLN A N   1 
ATOM   109 C  CA  . GLN A 1 16  ? 79.103 23.627 25.762 1.00 15.02 ? 16  GLN A CA  1 
ATOM   110 C  C   . GLN A 1 16  ? 80.006 24.709 26.332 1.00 14.76 ? 16  GLN A C   1 
ATOM   111 O  O   . GLN A 1 16  ? 79.545 25.770 26.738 1.00 16.25 ? 16  GLN A O   1 
ATOM   112 C  CB  . GLN A 1 16  ? 78.102 23.117 26.791 1.00 18.14 ? 16  GLN A CB  1 
ATOM   113 C  CG  . GLN A 1 16  ? 76.946 22.419 26.104 1.00 21.76 ? 16  GLN A CG  1 
ATOM   114 C  CD  . GLN A 1 16  ? 75.878 21.923 27.067 1.00 27.73 ? 16  GLN A CD  1 
ATOM   115 O  OE1 . GLN A 1 16  ? 75.344 20.821 26.933 1.00 29.61 ? 16  GLN A OE1 1 
ATOM   116 N  NE2 . GLN A 1 16  ? 75.517 22.720 28.062 1.00 26.30 ? 16  GLN A NE2 1 
ATOM   117 N  N   . THR A 1 17  ? 81.303 24.442 26.414 1.00 15.54 ? 17  THR A N   1 
ATOM   118 C  CA  . THR A 1 17  ? 82.238 25.437 26.866 1.00 15.98 ? 17  THR A CA  1 
ATOM   119 C  C   . THR A 1 17  ? 82.270 26.571 25.861 1.00 15.59 ? 17  THR A C   1 
ATOM   120 O  O   . THR A 1 17  ? 82.580 27.724 26.180 1.00 13.82 ? 17  THR A O   1 
ATOM   121 C  CB  . THR A 1 17  ? 83.625 24.829 26.879 1.00 17.17 ? 17  THR A CB  1 
ATOM   122 O  OG1 . THR A 1 17  ? 83.540 23.746 27.771 1.00 22.20 ? 17  THR A OG1 1 
ATOM   123 C  CG2 . THR A 1 17  ? 84.662 25.815 27.351 1.00 20.61 ? 17  THR A CG2 1 
ATOM   124 N  N   . CYS A 1 18  ? 81.849 26.291 24.612 1.00 13.09 ? 18  CYS A N   1 
ATOM   125 C  CA  . CYS A 1 18  ? 81.928 27.311 23.558 1.00 13.19 ? 18  CYS A CA  1 
ATOM   126 C  C   . CYS A 1 18  ? 80.690 27.413 22.679 1.00 12.27 ? 18  CYS A C   1 
ATOM   127 O  O   . CYS A 1 18  ? 80.453 28.432 22.054 1.00 13.14 ? 18  CYS A O   1 
ATOM   128 C  CB  . CYS A 1 18  ? 83.103 26.982 22.624 1.00 10.36 ? 18  CYS A CB  1 
ATOM   129 S  SG  . CYS A 1 18  ? 84.704 27.020 23.441 1.00 11.34 ? 18  CYS A SG  1 
ATOM   130 N  N   . HIS A 1 19  ? 79.890 26.370 22.614 1.00 11.47 ? 19  HIS A N   1 
ATOM   131 C  CA  . HIS A 1 19  ? 78.716 26.376 21.762 1.00 12.17 ? 19  HIS A CA  1 
ATOM   132 C  C   . HIS A 1 19  ? 77.406 26.311 22.536 1.00 13.90 ? 19  HIS A C   1 
ATOM   133 O  O   . HIS A 1 19  ? 77.278 25.559 23.499 1.00 12.81 ? 19  HIS A O   1 
ATOM   134 C  CB  . HIS A 1 19  ? 78.753 25.169 20.826 1.00 10.45 ? 19  HIS A CB  1 
ATOM   135 C  CG  . HIS A 1 19  ? 79.831 25.295 19.747 1.00 9.33  ? 19  HIS A CG  1 
ATOM   136 N  ND1 . HIS A 1 19  ? 79.633 26.038 18.579 1.00 9.95  ? 19  HIS A ND1 1 
ATOM   137 C  CD2 . HIS A 1 19  ? 81.039 24.628 19.697 1.00 10.44 ? 19  HIS A CD2 1 
ATOM   138 C  CE1 . HIS A 1 19  ? 80.745 25.796 17.850 1.00 9.24  ? 19  HIS A CE1 1 
ATOM   139 N  NE2 . HIS A 1 19  ? 81.569 24.989 18.445 1.00 13.01 ? 19  HIS A NE2 1 
ATOM   140 N  N   . VAL A 1 20  ? 76.350 26.562 21.794 1.00 13.48 ? 20  VAL A N   1 
ATOM   141 C  CA  . VAL A 1 20  ? 75.014 26.530 22.321 1.00 13.25 ? 20  VAL A CA  1 
ATOM   142 C  C   . VAL A 1 20  ? 74.079 26.059 21.199 1.00 14.07 ? 20  VAL A C   1 
ATOM   143 O  O   . VAL A 1 20  ? 74.556 25.893 20.083 1.00 12.78 ? 20  VAL A O   1 
ATOM   144 C  CB  . VAL A 1 20  ? 74.728 27.987 22.677 1.00 17.51 ? 20  VAL A CB  1 
ATOM   145 C  CG1 . VAL A 1 20  ? 73.560 28.510 21.882 1.00 17.73 ? 20  VAL A CG1 1 
ATOM   146 C  CG2 . VAL A 1 20  ? 74.597 28.191 24.170 1.00 13.02 ? 20  VAL A CG2 1 
ATOM   147 N  N   . ILE A 1 21  ? 72.981 25.372 21.523 1.00 13.55 ? 21  ILE A N   1 
ATOM   148 C  CA  . ILE A 1 21  ? 71.981 24.995 20.523 1.00 13.07 ? 21  ILE A CA  1 
ATOM   149 C  C   . ILE A 1 21  ? 70.671 25.670 20.932 1.00 13.25 ? 21  ILE A C   1 
ATOM   150 O  O   . ILE A 1 21  ? 70.120 25.340 21.987 1.00 13.23 ? 21  ILE A O   1 
ATOM   151 C  CB  . ILE A 1 21  ? 71.753 23.458 20.410 1.00 12.19 ? 21  ILE A CB  1 
ATOM   152 C  CG1 . ILE A 1 21  ? 73.031 22.709 20.063 1.00 12.05 ? 21  ILE A CG1 1 
ATOM   153 C  CG2 . ILE A 1 21  ? 70.676 23.147 19.365 1.00 9.63  ? 21  ILE A CG2 1 
ATOM   154 C  CD1 . ILE A 1 21  ? 72.856 21.178 20.150 1.00 8.58  ? 21  ILE A CD1 1 
ATOM   155 N  N   . VAL A 1 22  ? 70.400 26.841 20.363 1.00 12.01 ? 22  VAL A N   1 
ATOM   156 C  CA  . VAL A 1 22  ? 69.193 27.597 20.686 1.00 15.06 ? 22  VAL A CA  1 
ATOM   157 C  C   . VAL A 1 22  ? 68.309 27.624 19.448 1.00 15.73 ? 22  VAL A C   1 
ATOM   158 O  O   . VAL A 1 22  ? 68.735 28.096 18.401 1.00 16.16 ? 22  VAL A O   1 
ATOM   159 C  CB  . VAL A 1 22  ? 69.596 29.030 21.083 1.00 13.70 ? 22  VAL A CB  1 
ATOM   160 C  CG1 . VAL A 1 22  ? 68.367 29.903 21.228 1.00 15.42 ? 22  VAL A CG1 1 
ATOM   161 C  CG2 . VAL A 1 22  ? 70.402 29.013 22.375 1.00 16.21 ? 22  VAL A CG2 1 
ATOM   162 N  N   . ASP A 1 23  ? 67.020 27.318 19.547 1.00 16.57 ? 23  ASP A N   1 
ATOM   163 C  CA  . ASP A 1 23  ? 66.230 27.304 18.330 1.00 16.82 ? 23  ASP A CA  1 
ATOM   164 C  C   . ASP A 1 23  ? 65.682 28.648 17.896 1.00 18.31 ? 23  ASP A C   1 
ATOM   165 O  O   . ASP A 1 23  ? 66.061 29.700 18.400 1.00 17.03 ? 23  ASP A O   1 
ATOM   166 C  CB  . ASP A 1 23  ? 65.127 26.282 18.443 1.00 17.79 ? 23  ASP A CB  1 
ATOM   167 C  CG  . ASP A 1 23  ? 64.016 26.683 19.399 1.00 21.27 ? 23  ASP A CG  1 
ATOM   168 O  OD1 . ASP A 1 23  ? 63.841 27.871 19.676 1.00 18.58 ? 23  ASP A OD1 1 
ATOM   169 O  OD2 . ASP A 1 23  ? 63.283 25.787 19.809 1.00 23.41 ? 23  ASP A OD2 1 
ATOM   170 N  N   . ASP A 1 24  ? 64.961 28.657 16.779 1.00 19.02 ? 24  ASP A N   1 
ATOM   171 C  CA  . ASP A 1 24  ? 64.469 29.907 16.256 1.00 21.59 ? 24  ASP A CA  1 
ATOM   172 C  C   . ASP A 1 24  ? 63.416 30.607 17.084 1.00 24.47 ? 24  ASP A C   1 
ATOM   173 O  O   . ASP A 1 24  ? 63.177 31.791 16.863 1.00 26.44 ? 24  ASP A O   1 
ATOM   174 C  CB  . ASP A 1 24  ? 63.970 29.679 14.851 1.00 22.45 ? 24  ASP A CB  1 
ATOM   175 C  CG  . ASP A 1 24  ? 65.109 29.306 13.913 1.00 24.18 ? 24  ASP A CG  1 
ATOM   176 O  OD1 . ASP A 1 24  ? 66.243 29.684 14.201 1.00 23.88 ? 24  ASP A OD1 1 
ATOM   177 O  OD2 . ASP A 1 24  ? 64.867 28.639 12.903 1.00 25.47 ? 24  ASP A OD2 1 
ATOM   178 N  N   . SER A 1 25  ? 63.019 30.039 18.221 1.00 27.19 ? 25  SER A N   1 
ATOM   179 C  CA  . SER A 1 25  ? 62.036 30.708 19.059 1.00 26.88 ? 25  SER A CA  1 
ATOM   180 C  C   . SER A 1 25  ? 62.697 31.215 20.330 1.00 27.30 ? 25  SER A C   1 
ATOM   181 O  O   . SER A 1 25  ? 62.077 31.890 21.154 1.00 25.62 ? 25  SER A O   1 
ATOM   182 C  CB  . SER A 1 25  ? 60.900 29.757 19.404 1.00 29.05 ? 25  SER A CB  1 
ATOM   183 O  OG  . SER A 1 25  ? 61.295 28.806 20.382 1.00 35.43 ? 25  SER A OG  1 
ATOM   184 N  N   . GLY A 1 26  ? 64.014 31.031 20.413 1.00 26.27 ? 26  GLY A N   1 
ATOM   185 C  CA  . GLY A 1 26  ? 64.762 31.470 21.567 1.00 25.53 ? 26  GLY A CA  1 
ATOM   186 C  C   . GLY A 1 26  ? 64.864 30.409 22.651 1.00 25.06 ? 26  GLY A C   1 
ATOM   187 O  O   . GLY A 1 26  ? 65.472 30.640 23.691 1.00 27.87 ? 26  GLY A O   1 
ATOM   188 N  N   . THR A 1 27  ? 64.458 29.171 22.384 1.00 22.69 ? 27  THR A N   1 
ATOM   189 C  CA  . THR A 1 27  ? 64.560 28.170 23.412 1.00 21.45 ? 27  THR A CA  1 
ATOM   190 C  C   . THR A 1 27  ? 65.930 27.505 23.415 1.00 22.17 ? 27  THR A C   1 
ATOM   191 O  O   . THR A 1 27  ? 66.496 27.203 22.369 1.00 21.15 ? 27  THR A O   1 
ATOM   192 C  CB  . THR A 1 27  ? 63.504 27.106 23.177 1.00 22.71 ? 27  THR A CB  1 
ATOM   193 O  OG1 . THR A 1 27  ? 62.246 27.751 23.306 1.00 26.44 ? 27  THR A OG1 1 
ATOM   194 C  CG2 . THR A 1 27  ? 63.643 25.947 24.147 1.00 23.60 ? 27  THR A CG2 1 
ATOM   195 N  N   . THR A 1 28  ? 66.529 27.353 24.593 1.00 19.88 ? 28  THR A N   1 
ATOM   196 C  CA  . THR A 1 28  ? 67.813 26.701 24.702 1.00 19.82 ? 28  THR A CA  1 
ATOM   197 C  C   . THR A 1 28  ? 67.634 25.197 24.773 1.00 19.73 ? 28  THR A C   1 
ATOM   198 O  O   . THR A 1 28  ? 66.907 24.694 25.625 1.00 20.63 ? 28  THR A O   1 
ATOM   199 C  CB  . THR A 1 28  ? 68.541 27.123 25.979 1.00 19.13 ? 28  THR A CB  1 
ATOM   200 O  OG1 . THR A 1 28  ? 68.905 28.483 25.821 1.00 19.48 ? 28  THR A OG1 1 
ATOM   201 C  CG2 . THR A 1 28  ? 69.760 26.260 26.221 1.00 18.34 ? 28  THR A CG2 1 
ATOM   202 N  N   . ILE A 1 29  ? 68.045 24.457 23.751 1.00 18.63 ? 29  ILE A N   1 
ATOM   203 C  CA  . ILE A 1 29  ? 67.913 23.024 23.853 1.00 18.95 ? 29  ILE A CA  1 
ATOM   204 C  C   . ILE A 1 29  ? 69.173 22.411 24.474 1.00 17.47 ? 29  ILE A C   1 
ATOM   205 O  O   . ILE A 1 29  ? 69.119 21.487 25.280 1.00 18.37 ? 29  ILE A O   1 
ATOM   206 C  CB  . ILE A 1 29  ? 67.475 22.377 22.499 1.00 21.15 ? 29  ILE A CB  1 
ATOM   207 C  CG1 . ILE A 1 29  ? 68.542 21.481 21.931 1.00 22.54 ? 29  ILE A CG1 1 
ATOM   208 C  CG2 . ILE A 1 29  ? 66.957 23.394 21.491 1.00 19.29 ? 29  ILE A CG2 1 
ATOM   209 C  CD1 . ILE A 1 29  ? 68.168 20.006 22.123 1.00 24.07 ? 29  ILE A CD1 1 
ATOM   210 N  N   . ALA A 1 30  ? 70.281 23.121 24.426 1.00 16.44 ? 30  ALA A N   1 
ATOM   211 C  CA  . ALA A 1 30  ? 71.486 22.625 25.039 1.00 16.41 ? 30  ALA A CA  1 
ATOM   212 C  C   . ALA A 1 30  ? 72.508 23.719 25.095 1.00 19.63 ? 30  ALA A C   1 
ATOM   213 O  O   . ALA A 1 30  ? 72.496 24.633 24.288 1.00 18.55 ? 30  ALA A O   1 
ATOM   214 C  CB  . ALA A 1 30  ? 72.085 21.485 24.245 1.00 17.39 ? 30  ALA A CB  1 
ATOM   215 N  N   . GLY A 1 31  ? 73.152 23.906 26.238 1.00 23.14 ? 31  GLY A N   1 
ATOM   216 C  CA  . GLY A 1 31  ? 74.124 24.971 26.290 1.00 26.83 ? 31  GLY A CA  1 
ATOM   217 C  C   . GLY A 1 31  ? 74.123 25.665 27.623 1.00 29.35 ? 31  GLY A C   1 
ATOM   218 O  O   . GLY A 1 31  ? 73.065 25.738 28.236 1.00 29.40 ? 31  GLY A O   1 
ATOM   219 N  N   . ARG A 1 32  ? 75.073 26.584 27.753 1.00 32.00 ? 32  ARG A N   1 
ATOM   220 C  CA  . ARG A 1 32  ? 75.278 27.345 28.978 1.00 37.39 ? 32  ARG A CA  1 
ATOM   221 C  C   . ARG A 1 32  ? 75.578 28.818 28.661 1.00 36.13 ? 32  ARG A C   1 
ATOM   222 O  O   . ARG A 1 32  ? 76.580 29.382 29.124 1.00 36.62 ? 32  ARG A O   1 
ATOM   223 C  CB  . ARG A 1 32  ? 76.463 26.730 29.702 1.00 41.98 ? 32  ARG A CB  1 
ATOM   224 C  CG  . ARG A 1 32  ? 76.348 26.737 31.211 1.00 48.10 ? 32  ARG A CG  1 
ATOM   225 C  CD  . ARG A 1 32  ? 77.685 26.309 31.802 1.00 55.82 ? 32  ARG A CD  1 
ATOM   226 N  N   . ASN A 1 33  ? 74.939 29.317 27.596 1.00 33.64 ? 33  ASN A N   1 
ATOM   227 C  CA  . ASN A 1 33  ? 75.114 30.689 27.143 1.00 30.89 ? 33  ASN A CA  1 
ATOM   228 C  C   . ASN A 1 33  ? 76.522 31.055 26.658 1.00 28.16 ? 33  ASN A C   1 
ATOM   229 O  O   . ASN A 1 33  ? 76.809 32.231 26.419 1.00 27.16 ? 33  ASN A O   1 
ATOM   230 C  CB  . ASN A 1 33  ? 74.696 31.666 28.240 1.00 32.57 ? 33  ASN A CB  1 
ATOM   231 N  N   . ALA A 1 34  ? 77.344 30.074 26.270 1.00 23.90 ? 34  ALA A N   1 
ATOM   232 C  CA  . ALA A 1 34  ? 78.677 30.386 25.779 1.00 22.25 ? 34  ALA A CA  1 
ATOM   233 C  C   . ALA A 1 34  ? 78.600 30.921 24.355 1.00 23.67 ? 34  ALA A C   1 
ATOM   234 O  O   . ALA A 1 34  ? 77.815 30.435 23.539 1.00 25.06 ? 34  ALA A O   1 
ATOM   235 C  CB  . ALA A 1 34  ? 79.506 29.120 25.750 1.00 22.14 ? 34  ALA A CB  1 
ATOM   236 N  N   . LYS A 1 35  ? 79.393 31.926 23.998 1.00 22.32 ? 35  LYS A N   1 
ATOM   237 C  CA  . LYS A 1 35  ? 79.298 32.457 22.642 1.00 22.86 ? 35  LYS A CA  1 
ATOM   238 C  C   . LYS A 1 35  ? 80.612 32.417 21.885 1.00 20.26 ? 35  LYS A C   1 
ATOM   239 O  O   . LYS A 1 35  ? 80.827 33.186 20.958 1.00 20.91 ? 35  LYS A O   1 
ATOM   240 C  CB  . LYS A 1 35  ? 78.805 33.905 22.657 1.00 26.30 ? 35  LYS A CB  1 
ATOM   241 C  CG  . LYS A 1 35  ? 77.633 34.190 23.598 1.00 29.61 ? 35  LYS A CG  1 
ATOM   242 C  CD  . LYS A 1 35  ? 76.351 34.390 22.812 1.00 30.88 ? 35  LYS A CD  1 
ATOM   243 N  N   . THR A 1 36  ? 81.566 31.619 22.324 1.00 17.31 ? 36  THR A N   1 
ATOM   244 C  CA  . THR A 1 36  ? 82.833 31.544 21.626 1.00 16.22 ? 36  THR A CA  1 
ATOM   245 C  C   . THR A 1 36  ? 82.656 31.017 20.209 1.00 15.52 ? 36  THR A C   1 
ATOM   246 O  O   . THR A 1 36  ? 83.381 31.423 19.307 1.00 15.42 ? 36  THR A O   1 
ATOM   247 C  CB  . THR A 1 36  ? 83.767 30.669 22.467 1.00 17.07 ? 36  THR A CB  1 
ATOM   248 O  OG1 . THR A 1 36  ? 84.014 31.465 23.617 1.00 16.20 ? 36  THR A OG1 1 
ATOM   249 C  CG2 . THR A 1 36  ? 85.096 30.346 21.801 1.00 13.54 ? 36  THR A CG2 1 
ATOM   250 N  N   . GLY A 1 37  ? 81.927 29.919 20.069 1.00 13.73 ? 37  GLY A N   1 
ATOM   251 C  CA  . GLY A 1 37  ? 81.667 29.347 18.762 1.00 12.44 ? 37  GLY A CA  1 
ATOM   252 C  C   . GLY A 1 37  ? 80.219 29.631 18.362 1.00 13.31 ? 37  GLY A C   1 
ATOM   253 O  O   . GLY A 1 37  ? 79.427 30.157 19.150 1.00 13.85 ? 37  GLY A O   1 
ATOM   254 N  N   . PRO A 1 38  ? 79.813 29.321 17.120 1.00 13.89 ? 38  PRO A N   1 
ATOM   255 C  CA  . PRO A 1 38  ? 78.469 29.642 16.627 1.00 12.45 ? 38  PRO A CA  1 
ATOM   256 C  C   . PRO A 1 38  ? 77.375 28.781 17.230 1.00 10.73 ? 38  PRO A C   1 
ATOM   257 O  O   . PRO A 1 38  ? 77.606 27.667 17.700 1.00 11.55 ? 38  PRO A O   1 
ATOM   258 C  CB  . PRO A 1 38  ? 78.563 29.356 15.142 1.00 12.72 ? 38  PRO A CB  1 
ATOM   259 C  CG  . PRO A 1 38  ? 79.816 28.544 14.927 1.00 10.03 ? 38  PRO A CG  1 
ATOM   260 C  CD  . PRO A 1 38  ? 80.740 28.961 16.050 1.00 11.72 ? 38  PRO A CD  1 
ATOM   261 N  N   . ASN A 1 39  ? 76.134 29.224 17.099 1.00 11.40 ? 39  ASN A N   1 
ATOM   262 C  CA  . ASN A 1 39  ? 74.980 28.453 17.528 1.00 10.29 ? 39  ASN A CA  1 
ATOM   263 C  C   . ASN A 1 39  ? 74.882 27.258 16.591 1.00 11.45 ? 39  ASN A C   1 
ATOM   264 O  O   . ASN A 1 39  ? 75.102 27.398 15.373 1.00 13.89 ? 39  ASN A O   1 
ATOM   265 C  CB  . ASN A 1 39  ? 73.747 29.328 17.369 1.00 9.33  ? 39  ASN A CB  1 
ATOM   266 C  CG  . ASN A 1 39  ? 72.409 28.697 17.722 1.00 9.65  ? 39  ASN A CG  1 
ATOM   267 O  OD1 . ASN A 1 39  ? 72.282 27.521 18.049 1.00 10.74 ? 39  ASN A OD1 1 
ATOM   268 N  ND2 . ASN A 1 39  ? 71.361 29.502 17.643 1.00 9.95  ? 39  ASN A ND2 1 
ATOM   269 N  N   . LEU A 1 40  ? 74.829 26.044 17.140 1.00 10.77 ? 40  LEU A N   1 
ATOM   270 C  CA  . LEU A 1 40  ? 74.777 24.842 16.326 1.00 9.65  ? 40  LEU A CA  1 
ATOM   271 C  C   . LEU A 1 40  ? 73.375 24.438 15.890 1.00 10.01 ? 40  LEU A C   1 
ATOM   272 O  O   . LEU A 1 40  ? 73.197 23.431 15.206 1.00 9.40  ? 40  LEU A O   1 
ATOM   273 C  CB  . LEU A 1 40  ? 75.517 23.718 17.075 1.00 12.13 ? 40  LEU A CB  1 
ATOM   274 C  CG  . LEU A 1 40  ? 76.926 23.280 16.611 1.00 16.51 ? 40  LEU A CG  1 
ATOM   275 C  CD1 . LEU A 1 40  ? 77.655 24.311 15.782 1.00 12.03 ? 40  LEU A CD1 1 
ATOM   276 C  CD2 . LEU A 1 40  ? 77.769 22.769 17.746 1.00 10.48 ? 40  LEU A CD2 1 
ATOM   277 N  N   . TYR A 1 41  ? 72.331 25.110 16.391 1.00 10.20 ? 41  TYR A N   1 
ATOM   278 C  CA  . TYR A 1 41  ? 70.984 24.810 15.933 1.00 11.48 ? 41  TYR A CA  1 
ATOM   279 C  C   . TYR A 1 41  ? 70.907 25.117 14.440 1.00 11.35 ? 41  TYR A C   1 
ATOM   280 O  O   . TYR A 1 41  ? 71.357 26.165 13.982 1.00 12.29 ? 41  TYR A O   1 
ATOM   281 C  CB  . TYR A 1 41  ? 69.954 25.674 16.652 1.00 11.52 ? 41  TYR A CB  1 
ATOM   282 C  CG  . TYR A 1 41  ? 68.530 25.393 16.177 1.00 12.21 ? 41  TYR A CG  1 
ATOM   283 C  CD1 . TYR A 1 41  ? 67.857 24.284 16.634 1.00 12.49 ? 41  TYR A CD1 1 
ATOM   284 C  CD2 . TYR A 1 41  ? 67.962 26.190 15.193 1.00 13.50 ? 41  TYR A CD2 1 
ATOM   285 C  CE1 . TYR A 1 41  ? 66.639 23.947 16.097 1.00 14.77 ? 41  TYR A CE1 1 
ATOM   286 C  CE2 . TYR A 1 41  ? 66.746 25.850 14.650 1.00 14.86 ? 41  TYR A CE2 1 
ATOM   287 C  CZ  . TYR A 1 41  ? 66.105 24.729 15.103 1.00 14.49 ? 41  TYR A CZ  1 
ATOM   288 O  OH  . TYR A 1 41  ? 64.895 24.381 14.549 1.00 18.93 ? 41  TYR A OH  1 
ATOM   289 N  N   . GLY A 1 42  ? 70.482 24.134 13.640 1.00 12.02 ? 42  GLY A N   1 
ATOM   290 C  CA  . GLY A 1 42  ? 70.405 24.308 12.190 1.00 11.47 ? 42  GLY A CA  1 
ATOM   291 C  C   . GLY A 1 42  ? 71.724 23.986 11.481 1.00 12.14 ? 42  GLY A C   1 
ATOM   292 O  O   . GLY A 1 42  ? 71.893 24.365 10.322 1.00 12.25 ? 42  GLY A O   1 
ATOM   293 N  N   . VAL A 1 43  ? 72.734 23.402 12.150 1.00 11.20 ? 43  VAL A N   1 
ATOM   294 C  CA  . VAL A 1 43  ? 73.991 23.107 11.456 1.00 12.73 ? 43  VAL A CA  1 
ATOM   295 C  C   . VAL A 1 43  ? 73.789 22.073 10.375 1.00 14.45 ? 43  VAL A C   1 
ATOM   296 O  O   . VAL A 1 43  ? 74.721 21.876 9.614  1.00 14.89 ? 43  VAL A O   1 
ATOM   297 C  CB  . VAL A 1 43  ? 75.149 22.432 12.224 1.00 16.87 ? 43  VAL A CB  1 
ATOM   298 C  CG1 . VAL A 1 43  ? 76.400 23.290 12.259 1.00 15.71 ? 43  VAL A CG1 1 
ATOM   299 C  CG2 . VAL A 1 43  ? 74.700 21.812 13.517 1.00 16.08 ? 43  VAL A CG2 1 
ATOM   300 N  N   . VAL A 1 44  ? 72.958 21.074 10.651 1.00 15.41 ? 44  VAL A N   1 
ATOM   301 C  CA  . VAL A 1 44  ? 72.756 19.999 9.692  1.00 14.66 ? 44  VAL A CA  1 
ATOM   302 C  C   . VAL A 1 44  ? 72.448 20.498 8.294  1.00 12.96 ? 44  VAL A C   1 
ATOM   303 O  O   . VAL A 1 44  ? 71.438 21.149 8.067  1.00 15.08 ? 44  VAL A O   1 
ATOM   304 C  CB  . VAL A 1 44  ? 71.659 19.045 10.194 1.00 13.52 ? 44  VAL A CB  1 
ATOM   305 C  CG1 . VAL A 1 44  ? 71.442 17.936 9.174  1.00 15.33 ? 44  VAL A CG1 1 
ATOM   306 C  CG2 . VAL A 1 44  ? 72.070 18.419 11.525 1.00 13.87 ? 44  VAL A CG2 1 
ATOM   307 N  N   . GLY A 1 45  ? 73.378 20.284 7.351  1.00 14.54 ? 45  GLY A N   1 
ATOM   308 C  CA  . GLY A 1 45  ? 73.171 20.753 5.997  1.00 13.12 ? 45  GLY A CA  1 
ATOM   309 C  C   . GLY A 1 45  ? 73.470 22.231 5.824  1.00 14.88 ? 45  GLY A C   1 
ATOM   310 O  O   . GLY A 1 45  ? 73.474 22.742 4.712  1.00 15.10 ? 45  GLY A O   1 
ATOM   311 N  N   . ARG A 1 46  ? 74.082 22.882 6.805  1.00 13.26 ? 46  ARG A N   1 
ATOM   312 C  CA  . ARG A 1 46  ? 74.383 24.286 6.665  1.00 13.01 ? 46  ARG A CA  1 
ATOM   313 C  C   . ARG A 1 46  ? 75.750 24.509 6.028  1.00 14.50 ? 46  ARG A C   1 
ATOM   314 O  O   . ARG A 1 46  ? 76.741 23.829 6.323  1.00 12.38 ? 46  ARG A O   1 
ATOM   315 C  CB  . ARG A 1 46  ? 74.349 24.908 8.067  1.00 12.93 ? 46  ARG A CB  1 
ATOM   316 C  CG  . ARG A 1 46  ? 74.421 26.431 8.188  1.00 13.43 ? 46  ARG A CG  1 
ATOM   317 C  CD  . ARG A 1 46  ? 75.190 26.794 9.472  1.00 19.13 ? 46  ARG A CD  1 
ATOM   318 N  NE  . ARG A 1 46  ? 74.315 26.923 10.598 1.00 19.35 ? 46  ARG A NE  1 
ATOM   319 C  CZ  . ARG A 1 46  ? 74.699 26.722 11.866 1.00 16.25 ? 46  ARG A CZ  1 
ATOM   320 N  NH1 . ARG A 1 46  ? 75.922 26.984 12.326 1.00 10.72 ? 46  ARG A NH1 1 
ATOM   321 N  NH2 . ARG A 1 46  ? 73.730 26.859 12.728 1.00 15.69 ? 46  ARG A NH2 1 
ATOM   322 N  N   . THR A 1 47  ? 75.843 25.541 5.174  1.00 14.48 ? 47  THR A N   1 
ATOM   323 C  CA  . THR A 1 47  ? 77.115 25.886 4.558  1.00 13.48 ? 47  THR A CA  1 
ATOM   324 C  C   . THR A 1 47  ? 78.038 26.399 5.632  1.00 14.00 ? 47  THR A C   1 
ATOM   325 O  O   . THR A 1 47  ? 77.638 27.207 6.485  1.00 13.47 ? 47  THR A O   1 
ATOM   326 C  CB  . THR A 1 47  ? 76.949 26.991 3.532  1.00 13.81 ? 47  THR A CB  1 
ATOM   327 O  OG1 . THR A 1 47  ? 76.049 26.447 2.599  1.00 14.43 ? 47  THR A OG1 1 
ATOM   328 C  CG2 . THR A 1 47  ? 78.272 27.361 2.872  1.00 12.92 ? 47  THR A CG2 1 
ATOM   329 N  N   . ALA A 1 48  ? 79.257 25.892 5.636  1.00 14.31 ? 48  ALA A N   1 
ATOM   330 C  CA  . ALA A 1 48  ? 80.214 26.270 6.650  1.00 14.91 ? 48  ALA A CA  1 
ATOM   331 C  C   . ALA A 1 48  ? 80.537 27.752 6.644  1.00 15.82 ? 48  ALA A C   1 
ATOM   332 O  O   . ALA A 1 48  ? 80.577 28.382 5.588  1.00 16.97 ? 48  ALA A O   1 
ATOM   333 C  CB  . ALA A 1 48  ? 81.496 25.480 6.411  1.00 12.79 ? 48  ALA A CB  1 
ATOM   334 N  N   . GLY A 1 49  ? 80.651 28.383 7.825  1.00 15.00 ? 49  GLY A N   1 
ATOM   335 C  CA  . GLY A 1 49  ? 81.011 29.792 7.868  1.00 12.70 ? 49  GLY A CA  1 
ATOM   336 C  C   . GLY A 1 49  ? 79.876 30.703 7.479  1.00 12.06 ? 49  GLY A C   1 
ATOM   337 O  O   . GLY A 1 49  ? 80.113 31.868 7.219  1.00 13.23 ? 49  GLY A O   1 
ATOM   338 N  N   . THR A 1 50  ? 78.646 30.337 7.787  1.00 10.79 ? 50  THR A N   1 
ATOM   339 C  CA  . THR A 1 50  ? 77.551 31.193 7.389  1.00 12.87 ? 50  THR A CA  1 
ATOM   340 C  C   . THR A 1 50  ? 76.536 31.513 8.482  1.00 14.15 ? 50  THR A C   1 
ATOM   341 O  O   . THR A 1 50  ? 75.540 32.154 8.175  1.00 16.52 ? 50  THR A O   1 
ATOM   342 C  CB  . THR A 1 50  ? 76.805 30.647 6.140  1.00 12.29 ? 50  THR A CB  1 
ATOM   343 O  OG1 . THR A 1 50  ? 76.147 29.467 6.523  1.00 16.56 ? 50  THR A OG1 1 
ATOM   344 C  CG2 . THR A 1 50  ? 77.719 30.356 4.960  1.00 13.27 ? 50  THR A CG2 1 
ATOM   345 N  N   . GLN A 1 51  ? 76.663 31.029 9.734  1.00 14.85 ? 51  GLN A N   1 
ATOM   346 C  CA  . GLN A 1 51  ? 75.652 31.395 10.737 1.00 14.34 ? 51  GLN A CA  1 
ATOM   347 C  C   . GLN A 1 51  ? 75.546 32.917 10.776 1.00 15.35 ? 51  GLN A C   1 
ATOM   348 O  O   . GLN A 1 51  ? 76.548 33.603 10.978 1.00 15.17 ? 51  GLN A O   1 
ATOM   349 C  CB  . GLN A 1 51  ? 76.064 30.825 12.097 1.00 15.20 ? 51  GLN A CB  1 
ATOM   350 C  CG  . GLN A 1 51  ? 75.244 31.315 13.284 1.00 17.12 ? 51  GLN A CG  1 
ATOM   351 C  CD  . GLN A 1 51  ? 73.875 30.681 13.319 1.00 17.89 ? 51  GLN A CD  1 
ATOM   352 O  OE1 . GLN A 1 51  ? 73.593 29.767 12.528 1.00 20.42 ? 51  GLN A OE1 1 
ATOM   353 N  NE2 . GLN A 1 51  ? 72.965 31.183 14.162 1.00 16.26 ? 51  GLN A NE2 1 
ATOM   354 N  N   . ALA A 1 52  ? 74.351 33.489 10.562 1.00 13.63 ? 52  ALA A N   1 
ATOM   355 C  CA  . ALA A 1 52  ? 74.240 34.941 10.452 1.00 15.78 ? 52  ALA A CA  1 
ATOM   356 C  C   . ALA A 1 52  ? 74.643 35.799 11.650 1.00 16.56 ? 52  ALA A C   1 
ATOM   357 O  O   . ALA A 1 52  ? 75.266 36.857 11.503 1.00 15.80 ? 52  ALA A O   1 
ATOM   358 C  CB  . ALA A 1 52  ? 72.812 35.323 10.079 1.00 16.03 ? 52  ALA A CB  1 
ATOM   359 N  N   . ASP A 1 53  ? 74.542 35.295 12.866 1.00 18.12 ? 53  ASP A N   1 
ATOM   360 C  CA  . ASP A 1 53  ? 74.901 36.143 13.982 1.00 18.07 ? 53  ASP A CA  1 
ATOM   361 C  C   . ASP A 1 53  ? 76.262 35.834 14.552 1.00 18.94 ? 53  ASP A C   1 
ATOM   362 O  O   . ASP A 1 53  ? 76.561 36.193 15.674 1.00 21.47 ? 53  ASP A O   1 
ATOM   363 C  CB  . ASP A 1 53  ? 73.857 36.016 15.075 1.00 20.89 ? 53  ASP A CB  1 
ATOM   364 C  CG  . ASP A 1 53  ? 73.707 34.593 15.604 1.00 23.31 ? 53  ASP A CG  1 
ATOM   365 O  OD1 . ASP A 1 53  ? 74.304 33.670 15.047 1.00 26.20 ? 53  ASP A OD1 1 
ATOM   366 O  OD2 . ASP A 1 53  ? 72.712 34.365 16.278 1.00 28.22 ? 53  ASP A OD2 1 
ATOM   367 N  N   . PHE A 1 54  ? 77.052 35.001 13.920 1.00 17.44 ? 54  PHE A N   1 
ATOM   368 C  CA  . PHE A 1 54  ? 78.340 34.720 14.483 1.00 19.05 ? 54  PHE A CA  1 
ATOM   369 C  C   . PHE A 1 54  ? 79.359 35.564 13.765 1.00 22.24 ? 54  PHE A C   1 
ATOM   370 O  O   . PHE A 1 54  ? 79.574 35.429 12.567 1.00 20.74 ? 54  PHE A O   1 
ATOM   371 C  CB  . PHE A 1 54  ? 78.674 33.235 14.344 1.00 15.42 ? 54  PHE A CB  1 
ATOM   372 C  CG  . PHE A 1 54  ? 79.982 32.857 15.015 1.00 13.60 ? 54  PHE A CG  1 
ATOM   373 C  CD1 . PHE A 1 54  ? 80.127 32.973 16.382 1.00 12.99 ? 54  PHE A CD1 1 
ATOM   374 C  CD2 . PHE A 1 54  ? 81.061 32.468 14.248 1.00 11.22 ? 54  PHE A CD2 1 
ATOM   375 C  CE1 . PHE A 1 54  ? 81.348 32.711 16.974 1.00 10.98 ? 54  PHE A CE1 1 
ATOM   376 C  CE2 . PHE A 1 54  ? 82.280 32.212 14.844 1.00 13.38 ? 54  PHE A CE2 1 
ATOM   377 C  CZ  . PHE A 1 54  ? 82.420 32.332 16.207 1.00 11.88 ? 54  PHE A CZ  1 
ATOM   378 N  N   . LYS A 1 55  ? 80.016 36.466 14.465 1.00 27.38 ? 55  LYS A N   1 
ATOM   379 C  CA  . LYS A 1 55  ? 80.971 37.299 13.773 1.00 33.10 ? 55  LYS A CA  1 
ATOM   380 C  C   . LYS A 1 55  ? 82.414 36.851 13.966 1.00 32.04 ? 55  LYS A C   1 
ATOM   381 O  O   . LYS A 1 55  ? 83.291 37.369 13.278 1.00 33.88 ? 55  LYS A O   1 
ATOM   382 C  CB  . LYS A 1 55  ? 80.814 38.747 14.234 1.00 40.16 ? 55  LYS A CB  1 
ATOM   383 C  CG  . LYS A 1 55  ? 79.414 39.302 13.997 1.00 49.87 ? 55  LYS A CG  1 
ATOM   384 C  CD  . LYS A 1 55  ? 79.096 39.404 12.506 1.00 60.63 ? 55  LYS A CD  1 
ATOM   385 C  CE  . LYS A 1 55  ? 77.680 39.936 12.299 1.00 65.27 ? 55  LYS A CE  1 
ATOM   386 N  NZ  . LYS A 1 55  ? 77.198 39.643 10.962 1.00 69.71 ? 55  LYS A NZ  1 
ATOM   387 N  N   . GLY A 1 56  ? 82.634 35.648 14.501 1.00 29.49 ? 56  GLY A N   1 
ATOM   388 C  CA  . GLY A 1 56  ? 84.011 35.233 14.731 1.00 26.22 ? 56  GLY A CA  1 
ATOM   389 C  C   . GLY A 1 56  ? 84.574 34.129 13.837 1.00 23.82 ? 56  GLY A C   1 
ATOM   390 O  O   . GLY A 1 56  ? 85.566 33.480 14.203 1.00 24.02 ? 56  GLY A O   1 
ATOM   391 N  N   . TYR A 1 57  ? 84.082 33.934 12.606 1.00 20.87 ? 57  TYR A N   1 
ATOM   392 C  CA  . TYR A 1 57  ? 84.671 32.874 11.789 1.00 17.90 ? 57  TYR A CA  1 
ATOM   393 C  C   . TYR A 1 57  ? 86.064 33.229 11.288 1.00 18.42 ? 57  TYR A C   1 
ATOM   394 O  O   . TYR A 1 57  ? 86.372 34.395 11.013 1.00 19.13 ? 57  TYR A O   1 
ATOM   395 C  CB  . TYR A 1 57  ? 83.819 32.566 10.563 1.00 14.60 ? 57  TYR A CB  1 
ATOM   396 C  CG  . TYR A 1 57  ? 82.534 31.839 10.867 1.00 13.94 ? 57  TYR A CG  1 
ATOM   397 C  CD1 . TYR A 1 57  ? 82.545 30.531 11.332 1.00 11.30 ? 57  TYR A CD1 1 
ATOM   398 C  CD2 . TYR A 1 57  ? 81.346 32.489 10.614 1.00 10.35 ? 57  TYR A CD2 1 
ATOM   399 C  CE1 . TYR A 1 57  ? 81.330 29.891 11.527 1.00 11.76 ? 57  TYR A CE1 1 
ATOM   400 C  CE2 . TYR A 1 57  ? 80.141 31.855 10.804 1.00 11.26 ? 57  TYR A CE2 1 
ATOM   401 C  CZ  . TYR A 1 57  ? 80.148 30.558 11.247 1.00 9.17  ? 57  TYR A CZ  1 
ATOM   402 O  OH  . TYR A 1 57  ? 78.956 29.900 11.307 1.00 11.64 ? 57  TYR A OH  1 
ATOM   403 N  N   . GLY A 1 58  ? 86.926 32.226 11.147 1.00 17.44 ? 58  GLY A N   1 
ATOM   404 C  CA  . GLY A 1 58  ? 88.250 32.459 10.627 1.00 20.38 ? 58  GLY A CA  1 
ATOM   405 C  C   . GLY A 1 58  ? 88.188 32.437 9.101  1.00 22.68 ? 58  GLY A C   1 
ATOM   406 O  O   . GLY A 1 58  ? 87.218 31.971 8.491  1.00 19.87 ? 58  GLY A O   1 
ATOM   407 N  N   . GLU A 1 59  ? 89.261 32.843 8.432  1.00 26.57 ? 59  GLU A N   1 
ATOM   408 C  CA  . GLU A 1 59  ? 89.236 32.867 6.985  1.00 30.84 ? 59  GLU A CA  1 
ATOM   409 C  C   . GLU A 1 59  ? 89.300 31.475 6.388  1.00 28.12 ? 59  GLU A C   1 
ATOM   410 O  O   . GLU A 1 59  ? 88.639 31.193 5.391  1.00 27.20 ? 59  GLU A O   1 
ATOM   411 C  CB  . GLU A 1 59  ? 90.368 33.743 6.471  1.00 39.29 ? 59  GLU A CB  1 
ATOM   412 C  CG  . GLU A 1 59  ? 90.342 35.133 7.100  1.00 53.83 ? 59  GLU A CG  1 
ATOM   413 C  CD  . GLU A 1 59  ? 88.955 35.776 7.156  1.00 61.58 ? 59  GLU A CD  1 
ATOM   414 O  OE1 . GLU A 1 59  ? 88.252 35.749 6.147  1.00 68.44 ? 59  GLU A OE1 1 
ATOM   415 O  OE2 . GLU A 1 59  ? 88.634 36.427 8.154  1.00 67.61 ? 59  GLU A OE2 1 
ATOM   416 N  N   . GLY A 1 60  ? 89.833 30.498 7.117  1.00 25.82 ? 60  GLY A N   1 
ATOM   417 C  CA  . GLY A 1 60  ? 89.858 29.151 6.564  1.00 22.81 ? 60  GLY A CA  1 
ATOM   418 C  C   . GLY A 1 60  ? 88.442 28.561 6.481  1.00 23.14 ? 60  GLY A C   1 
ATOM   419 O  O   . GLY A 1 60  ? 88.101 27.862 5.523  1.00 20.61 ? 60  GLY A O   1 
ATOM   420 N  N   . MET A 1 61  ? 87.595 28.810 7.507  1.00 20.80 ? 61  MET A N   1 
ATOM   421 C  CA  . MET A 1 61  ? 86.238 28.288 7.533  1.00 18.94 ? 61  MET A CA  1 
ATOM   422 C  C   . MET A 1 61  ? 85.386 28.990 6.497  1.00 18.21 ? 61  MET A C   1 
ATOM   423 O  O   . MET A 1 61  ? 84.474 28.411 5.921  1.00 18.48 ? 61  MET A O   1 
ATOM   424 C  CB  . MET A 1 61  ? 85.651 28.495 8.935  1.00 17.52 ? 61  MET A CB  1 
ATOM   425 C  CG  . MET A 1 61  ? 84.243 27.944 9.077  1.00 18.86 ? 61  MET A CG  1 
ATOM   426 S  SD  . MET A 1 61  ? 84.210 26.149 9.093  1.00 21.10 ? 61  MET A SD  1 
ATOM   427 C  CE  . MET A 1 61  ? 84.578 25.855 10.799 1.00 22.84 ? 61  MET A CE  1 
ATOM   428 N  N   . LYS A 1 62  ? 85.553 30.296 6.348  1.00 20.71 ? 62  LYS A N   1 
ATOM   429 C  CA  . LYS A 1 62  ? 84.772 31.002 5.353  1.00 24.94 ? 62  LYS A CA  1 
ATOM   430 C  C   . LYS A 1 62  ? 85.111 30.473 3.959  1.00 25.20 ? 62  LYS A C   1 
ATOM   431 O  O   . LYS A 1 62  ? 84.235 30.200 3.131  1.00 24.91 ? 62  LYS A O   1 
ATOM   432 C  CB  . LYS A 1 62  ? 85.080 32.484 5.442  1.00 27.74 ? 62  LYS A CB  1 
ATOM   433 C  CG  . LYS A 1 62  ? 84.347 33.201 6.566  1.00 34.49 ? 62  LYS A CG  1 
ATOM   434 C  CD  . LYS A 1 62  ? 84.858 34.639 6.669  1.00 42.48 ? 62  LYS A CD  1 
ATOM   435 C  CE  . LYS A 1 62  ? 84.396 35.268 7.976  1.00 48.65 ? 62  LYS A CE  1 
ATOM   436 N  NZ  . LYS A 1 62  ? 84.858 36.641 8.119  1.00 51.53 ? 62  LYS A NZ  1 
ATOM   437 N  N   . GLU A 1 63  ? 86.401 30.252 3.713  1.00 24.89 ? 63  GLU A N   1 
ATOM   438 C  CA  . GLU A 1 63  ? 86.873 29.727 2.455  1.00 26.10 ? 63  GLU A CA  1 
ATOM   439 C  C   . GLU A 1 63  ? 86.241 28.372 2.146  1.00 24.88 ? 63  GLU A C   1 
ATOM   440 O  O   . GLU A 1 63  ? 86.018 28.032 0.982  1.00 24.06 ? 63  GLU A O   1 
ATOM   441 C  CB  . GLU A 1 63  ? 88.368 29.565 2.585  1.00 31.65 ? 63  GLU A CB  1 
ATOM   442 C  CG  . GLU A 1 63  ? 89.063 29.364 1.256  1.00 41.26 ? 63  GLU A CG  1 
ATOM   443 C  CD  . GLU A 1 63  ? 90.564 29.121 1.383  1.00 46.47 ? 63  GLU A CD  1 
ATOM   444 O  OE1 . GLU A 1 63  ? 91.196 29.694 2.278  1.00 48.92 ? 63  GLU A OE1 1 
ATOM   445 O  OE2 . GLU A 1 63  ? 91.111 28.451 0.507  1.00 47.87 ? 63  GLU A OE2 1 
ATOM   446 N  N   . ALA A 1 64  ? 86.338 27.439 3.094  1.00 21.77 ? 64  ALA A N   1 
ATOM   447 C  CA  . ALA A 1 64  ? 85.755 26.130 2.895  1.00 20.02 ? 64  ALA A CA  1 
ATOM   448 C  C   . ALA A 1 64  ? 84.285 26.217 2.515  1.00 19.38 ? 64  ALA A C   1 
ATOM   449 O  O   . ALA A 1 64  ? 83.781 25.363 1.791  1.00 19.33 ? 64  ALA A O   1 
ATOM   450 C  CB  . ALA A 1 64  ? 85.861 25.335 4.189  1.00 19.75 ? 64  ALA A CB  1 
ATOM   451 N  N   . GLY A 1 65  ? 83.510 27.040 3.217  1.00 18.76 ? 65  GLY A N   1 
ATOM   452 C  CA  . GLY A 1 65  ? 82.110 27.188 2.877  1.00 19.21 ? 65  GLY A CA  1 
ATOM   453 C  C   . GLY A 1 65  ? 81.982 27.696 1.439  1.00 22.33 ? 65  GLY A C   1 
ATOM   454 O  O   . GLY A 1 65  ? 81.024 27.333 0.745  1.00 20.97 ? 65  GLY A O   1 
ATOM   455 N  N   . ALA A 1 66  ? 82.762 28.731 1.066  1.00 22.21 ? 66  ALA A N   1 
ATOM   456 C  CA  . ALA A 1 66  ? 82.715 29.233 -0.324 1.00 24.21 ? 66  ALA A CA  1 
ATOM   457 C  C   . ALA A 1 66  ? 82.993 28.116 -1.323 1.00 24.91 ? 66  ALA A C   1 
ATOM   458 O  O   . ALA A 1 66  ? 82.446 28.105 -2.418 1.00 25.62 ? 66  ALA A O   1 
ATOM   459 C  CB  . ALA A 1 66  ? 83.772 30.296 -0.574 1.00 22.29 ? 66  ALA A CB  1 
ATOM   460 N  N   . LYS A 1 67  ? 83.887 27.199 -0.972 1.00 25.60 ? 67  LYS A N   1 
ATOM   461 C  CA  . LYS A 1 67  ? 84.199 26.069 -1.812 1.00 28.26 ? 67  LYS A CA  1 
ATOM   462 C  C   . LYS A 1 67  ? 82.975 25.189 -1.956 1.00 27.42 ? 67  LYS A C   1 
ATOM   463 O  O   . LYS A 1 67  ? 83.066 24.125 -2.545 1.00 28.61 ? 67  LYS A O   1 
ATOM   464 C  CB  . LYS A 1 67  ? 85.303 25.234 -1.177 1.00 33.59 ? 67  LYS A CB  1 
ATOM   465 C  CG  . LYS A 1 67  ? 86.613 25.224 -1.945 1.00 40.91 ? 67  LYS A CG  1 
ATOM   466 C  CD  . LYS A 1 67  ? 87.695 25.986 -1.192 1.00 47.30 ? 67  LYS A CD  1 
ATOM   467 C  CE  . LYS A 1 67  ? 88.231 27.136 -2.039 1.00 51.03 ? 67  LYS A CE  1 
ATOM   468 N  NZ  . LYS A 1 67  ? 87.555 28.390 -1.731 1.00 56.02 ? 67  LYS A NZ  1 
ATOM   469 N  N   . GLY A 1 68  ? 82.044 25.297 -1.024 1.00 25.49 ? 68  GLY A N   1 
ATOM   470 C  CA  . GLY A 1 68  ? 80.853 24.486 -1.122 1.00 22.74 ? 68  GLY A CA  1 
ATOM   471 C  C   . GLY A 1 68  ? 80.691 23.480 0.012  1.00 22.53 ? 68  GLY A C   1 
ATOM   472 O  O   . GLY A 1 68  ? 79.697 22.766 0.031  1.00 23.86 ? 68  GLY A O   1 
ATOM   473 N  N   . LEU A 1 69  ? 81.433 23.619 1.115  1.00 19.07 ? 69  LEU A N   1 
ATOM   474 C  CA  . LEU A 1 69  ? 81.276 22.669 2.214  1.00 18.37 ? 69  LEU A CA  1 
ATOM   475 C  C   . LEU A 1 69  ? 80.024 22.893 3.058  1.00 17.39 ? 69  LEU A C   1 
ATOM   476 O  O   . LEU A 1 69  ? 79.690 24.026 3.392  1.00 18.01 ? 69  LEU A O   1 
ATOM   477 C  CB  . LEU A 1 69  ? 82.468 22.731 3.145  1.00 16.98 ? 69  LEU A CB  1 
ATOM   478 C  CG  . LEU A 1 69  ? 82.272 22.088 4.527  1.00 15.57 ? 69  LEU A CG  1 
ATOM   479 C  CD1 . LEU A 1 69  ? 82.104 20.588 4.383  1.00 16.15 ? 69  LEU A CD1 1 
ATOM   480 C  CD2 . LEU A 1 69  ? 83.433 22.423 5.459  1.00 14.20 ? 69  LEU A CD2 1 
ATOM   481 N  N   . ALA A 1 70  ? 79.127 21.921 3.074  1.00 16.89 ? 70  ALA A N   1 
ATOM   482 C  CA  . ALA A 1 70  ? 77.914 21.987 3.882  1.00 16.17 ? 70  ALA A CA  1 
ATOM   483 C  C   . ALA A 1 70  ? 78.043 20.832 4.880  1.00 16.24 ? 70  ALA A C   1 
ATOM   484 O  O   . ALA A 1 70  ? 78.405 19.721 4.514  1.00 17.35 ? 70  ALA A O   1 
ATOM   485 C  CB  . ALA A 1 70  ? 76.720 21.755 2.981  1.00 15.73 ? 70  ALA A CB  1 
ATOM   486 N  N   . TRP A 1 71  ? 77.644 20.989 6.135  1.00 14.60 ? 71  TRP A N   1 
ATOM   487 C  CA  . TRP A 1 71  ? 77.904 19.929 7.096  1.00 11.79 ? 71  TRP A CA  1 
ATOM   488 C  C   . TRP A 1 71  ? 77.114 18.643 6.992  1.00 11.51 ? 71  TRP A C   1 
ATOM   489 O  O   . TRP A 1 71  ? 75.878 18.665 6.861  1.00 13.82 ? 71  TRP A O   1 
ATOM   490 C  CB  . TRP A 1 71  ? 77.757 20.503 8.512  1.00 8.10  ? 71  TRP A CB  1 
ATOM   491 C  CG  . TRP A 1 71  ? 78.831 21.540 8.814  1.00 7.45  ? 71  TRP A CG  1 
ATOM   492 C  CD1 . TRP A 1 71  ? 78.507 22.867 8.909  1.00 8.31  ? 71  TRP A CD1 1 
ATOM   493 C  CD2 . TRP A 1 71  ? 80.175 21.300 8.939  1.00 10.04 ? 71  TRP A CD2 1 
ATOM   494 N  NE1 . TRP A 1 71  ? 79.663 23.460 9.092  1.00 8.83  ? 71  TRP A NE1 1 
ATOM   495 C  CE2 . TRP A 1 71  ? 80.670 22.581 9.131  1.00 6.96  ? 71  TRP A CE2 1 
ATOM   496 C  CE3 . TRP A 1 71  ? 81.031 20.202 8.873  1.00 9.21  ? 71  TRP A CE3 1 
ATOM   497 C  CZ2 . TRP A 1 71  ? 82.014 22.806 9.285  1.00 7.19  ? 71  TRP A CZ2 1 
ATOM   498 C  CZ3 . TRP A 1 71  ? 82.391 20.422 9.019  1.00 7.88  ? 71  TRP A CZ3 1 
ATOM   499 C  CH2 . TRP A 1 71  ? 82.870 21.712 9.232  1.00 9.57  ? 71  TRP A CH2 1 
ATOM   500 N  N   . ASP A 1 72  ? 77.811 17.531 6.728  1.00 11.24 ? 72  ASP A N   1 
ATOM   501 C  CA  . ASP A 1 72  ? 77.161 16.243 6.752  1.00 10.87 ? 72  ASP A CA  1 
ATOM   502 C  C   . ASP A 1 72  ? 77.927 15.396 7.770  1.00 11.61 ? 72  ASP A C   1 
ATOM   503 O  O   . ASP A 1 72  ? 78.971 15.836 8.261  1.00 10.23 ? 72  ASP A O   1 
ATOM   504 C  CB  . ASP A 1 72  ? 77.103 15.547 5.397  1.00 12.97 ? 72  ASP A CB  1 
ATOM   505 C  CG  . ASP A 1 72  ? 78.389 15.594 4.611  1.00 17.02 ? 72  ASP A CG  1 
ATOM   506 O  OD1 . ASP A 1 72  ? 79.436 15.710 5.234  1.00 16.90 ? 72  ASP A OD1 1 
ATOM   507 O  OD2 . ASP A 1 72  ? 78.366 15.084 3.490  1.00 21.86 ? 72  ASP A OD2 1 
ATOM   508 N  N   . GLU A 1 73  ? 77.569 14.131 7.972  1.00 10.90 ? 73  GLU A N   1 
ATOM   509 C  CA  . GLU A 1 73  ? 78.251 13.340 8.968  1.00 10.94 ? 73  GLU A CA  1 
ATOM   510 C  C   . GLU A 1 73  ? 79.690 13.052 8.646  1.00 13.16 ? 73  GLU A C   1 
ATOM   511 O  O   . GLU A 1 73  ? 80.574 13.213 9.481  1.00 15.55 ? 73  GLU A O   1 
ATOM   512 C  CB  . GLU A 1 73  ? 77.535 12.028 9.168  1.00 10.94 ? 73  GLU A CB  1 
ATOM   513 C  CG  . GLU A 1 73  ? 78.143 11.213 10.308 1.00 11.89 ? 73  GLU A CG  1 
ATOM   514 C  CD  . GLU A 1 73  ? 77.268 10.076 10.808 1.00 13.23 ? 73  GLU A CD  1 
ATOM   515 O  OE1 . GLU A 1 73  ? 76.283 9.745  10.156 1.00 10.37 ? 73  GLU A OE1 1 
ATOM   516 O  OE2 . GLU A 1 73  ? 77.715 9.358  11.706 1.00 13.91 ? 73  GLU A OE2 1 
ATOM   517 N  N   . GLU A 1 74  ? 80.035 12.760 7.405  1.00 15.97 ? 74  GLU A N   1 
ATOM   518 C  CA  . GLU A 1 74  ? 81.432 12.446 7.174  1.00 15.74 ? 74  GLU A CA  1 
ATOM   519 C  C   . GLU A 1 74  ? 82.358 13.618 7.360  1.00 14.79 ? 74  GLU A C   1 
ATOM   520 O  O   . GLU A 1 74  ? 83.438 13.442 7.928  1.00 15.19 ? 74  GLU A O   1 
ATOM   521 C  CB  . GLU A 1 74  ? 81.662 11.915 5.760  1.00 18.79 ? 74  GLU A CB  1 
ATOM   522 N  N   . HIS A 1 75  ? 81.946 14.828 6.953  1.00 13.87 ? 75  HIS A N   1 
ATOM   523 C  CA  . HIS A 1 75  ? 82.817 15.988 7.103  1.00 14.34 ? 75  HIS A CA  1 
ATOM   524 C  C   . HIS A 1 75  ? 82.838 16.447 8.553  1.00 13.96 ? 75  HIS A C   1 
ATOM   525 O  O   . HIS A 1 75  ? 83.877 16.820 9.061  1.00 12.69 ? 75  HIS A O   1 
ATOM   526 C  CB  . HIS A 1 75  ? 82.372 17.150 6.211  1.00 15.44 ? 75  HIS A CB  1 
ATOM   527 C  CG  . HIS A 1 75  ? 82.633 16.870 4.726  1.00 18.22 ? 75  HIS A CG  1 
ATOM   528 N  ND1 . HIS A 1 75  ? 81.801 16.193 3.963  1.00 19.45 ? 75  HIS A ND1 1 
ATOM   529 C  CD2 . HIS A 1 75  ? 83.799 17.032 4.026  1.00 18.86 ? 75  HIS A CD2 1 
ATOM   530 C  CE1 . HIS A 1 75  ? 82.382 15.930 2.819  1.00 20.31 ? 75  HIS A CE1 1 
ATOM   531 N  NE2 . HIS A 1 75  ? 83.582 16.452 2.862  1.00 21.79 ? 75  HIS A NE2 1 
ATOM   532 N  N   . PHE A 1 76  ? 81.710 16.318 9.245  1.00 14.22 ? 76  PHE A N   1 
ATOM   533 C  CA  . PHE A 1 76  ? 81.615 16.715 10.637 1.00 12.51 ? 76  PHE A CA  1 
ATOM   534 C  C   . PHE A 1 76  ? 82.508 15.817 11.471 1.00 12.88 ? 76  PHE A C   1 
ATOM   535 O  O   . PHE A 1 76  ? 83.287 16.323 12.265 1.00 11.55 ? 76  PHE A O   1 
ATOM   536 C  CB  . PHE A 1 76  ? 80.162 16.551 11.091 1.00 12.72 ? 76  PHE A CB  1 
ATOM   537 C  CG  . PHE A 1 76  ? 79.924 16.766 12.596 1.00 13.56 ? 76  PHE A CG  1 
ATOM   538 C  CD1 . PHE A 1 76  ? 79.697 18.043 13.081 1.00 11.36 ? 76  PHE A CD1 1 
ATOM   539 C  CD2 . PHE A 1 76  ? 79.953 15.663 13.476 1.00 14.19 ? 76  PHE A CD2 1 
ATOM   540 C  CE1 . PHE A 1 76  ? 79.503 18.218 14.455 1.00 11.56 ? 76  PHE A CE1 1 
ATOM   541 C  CE2 . PHE A 1 76  ? 79.760 15.850 14.835 1.00 12.65 ? 76  PHE A CE2 1 
ATOM   542 C  CZ  . PHE A 1 76  ? 79.535 17.129 15.312 1.00 11.02 ? 76  PHE A CZ  1 
ATOM   543 N  N   . VAL A 1 77  ? 82.563 14.503 11.231 1.00 10.45 ? 77  VAL A N   1 
ATOM   544 C  CA  . VAL A 1 77  ? 83.400 13.728 12.128 1.00 13.80 ? 77  VAL A CA  1 
ATOM   545 C  C   . VAL A 1 77  ? 84.872 13.865 11.853 1.00 13.92 ? 77  VAL A C   1 
ATOM   546 O  O   . VAL A 1 77  ? 85.660 13.896 12.791 1.00 13.45 ? 77  VAL A O   1 
ATOM   547 C  CB  . VAL A 1 77  ? 83.019 12.237 12.306 1.00 15.31 ? 77  VAL A CB  1 
ATOM   548 C  CG1 . VAL A 1 77  ? 81.616 11.925 11.856 1.00 16.20 ? 77  VAL A CG1 1 
ATOM   549 C  CG2 . VAL A 1 77  ? 84.069 11.311 11.745 1.00 17.21 ? 77  VAL A CG2 1 
ATOM   550 N  N   . GLN A 1 78  ? 85.245 14.322 10.667 1.00 14.43 ? 78  GLN A N   1 
ATOM   551 C  CA  . GLN A 1 78  ? 86.652 14.529 10.419 1.00 14.31 ? 78  GLN A CA  1 
ATOM   552 C  C   . GLN A 1 78  ? 87.025 15.865 11.023 1.00 12.26 ? 78  GLN A C   1 
ATOM   553 O  O   . GLN A 1 78  ? 88.079 16.058 11.604 1.00 14.01 ? 78  GLN A O   1 
ATOM   554 C  CB  . GLN A 1 78  ? 86.925 14.612 8.928  1.00 17.79 ? 78  GLN A CB  1 
ATOM   555 C  CG  . GLN A 1 78  ? 86.838 13.274 8.209  1.00 23.14 ? 78  GLN A CG  1 
ATOM   556 C  CD  . GLN A 1 78  ? 86.799 13.458 6.694  1.00 28.07 ? 78  GLN A CD  1 
ATOM   557 N  N   . TYR A 1 79  ? 86.160 16.849 10.875 1.00 11.86 ? 79  TYR A N   1 
ATOM   558 C  CA  . TYR A 1 79  ? 86.447 18.172 11.378 1.00 10.70 ? 79  TYR A CA  1 
ATOM   559 C  C   . TYR A 1 79  ? 86.603 18.252 12.881 1.00 13.06 ? 79  TYR A C   1 
ATOM   560 O  O   . TYR A 1 79  ? 87.577 18.813 13.356 1.00 13.96 ? 79  TYR A O   1 
ATOM   561 C  CB  . TYR A 1 79  ? 85.359 19.122 10.923 1.00 9.55  ? 79  TYR A CB  1 
ATOM   562 C  CG  . TYR A 1 79  ? 85.447 20.480 11.591 1.00 9.96  ? 79  TYR A CG  1 
ATOM   563 C  CD1 . TYR A 1 79  ? 86.430 21.361 11.220 1.00 9.33  ? 79  TYR A CD1 1 
ATOM   564 C  CD2 . TYR A 1 79  ? 84.530 20.809 12.578 1.00 8.26  ? 79  TYR A CD2 1 
ATOM   565 C  CE1 . TYR A 1 79  ? 86.515 22.580 11.845 1.00 10.88 ? 79  TYR A CE1 1 
ATOM   566 C  CE2 . TYR A 1 79  ? 84.605 22.034 13.194 1.00 8.97  ? 79  TYR A CE2 1 
ATOM   567 C  CZ  . TYR A 1 79  ? 85.599 22.908 12.830 1.00 10.25 ? 79  TYR A CZ  1 
ATOM   568 O  OH  . TYR A 1 79  ? 85.687 24.142 13.455 1.00 12.98 ? 79  TYR A OH  1 
ATOM   569 N  N   . VAL A 1 80  ? 85.631 17.754 13.661 1.00 14.02 ? 80  VAL A N   1 
ATOM   570 C  CA  . VAL A 1 80  ? 85.738 17.842 15.121 1.00 14.45 ? 80  VAL A CA  1 
ATOM   571 C  C   . VAL A 1 80  ? 86.962 17.127 15.664 1.00 14.81 ? 80  VAL A C   1 
ATOM   572 O  O   . VAL A 1 80  ? 87.389 17.435 16.771 1.00 16.64 ? 80  VAL A O   1 
ATOM   573 C  CB  . VAL A 1 80  ? 84.475 17.314 15.840 1.00 12.23 ? 80  VAL A CB  1 
ATOM   574 C  CG1 . VAL A 1 80  ? 83.257 18.103 15.395 1.00 11.07 ? 80  VAL A CG1 1 
ATOM   575 C  CG2 . VAL A 1 80  ? 84.278 15.816 15.628 1.00 9.76  ? 80  VAL A CG2 1 
ATOM   576 N  N   . GLN A 1 81  ? 87.494 16.103 14.979 1.00 13.67 ? 81  GLN A N   1 
ATOM   577 C  CA  . GLN A 1 81  ? 88.672 15.422 15.473 1.00 16.78 ? 81  GLN A CA  1 
ATOM   578 C  C   . GLN A 1 81  ? 89.944 16.242 15.335 1.00 17.05 ? 81  GLN A C   1 
ATOM   579 O  O   . GLN A 1 81  ? 90.908 16.038 16.053 1.00 19.17 ? 81  GLN A O   1 
ATOM   580 C  CB  . GLN A 1 81  ? 88.820 14.092 14.778 1.00 18.74 ? 81  GLN A CB  1 
ATOM   581 C  CG  . GLN A 1 81  ? 87.731 13.133 15.228 1.00 25.27 ? 81  GLN A CG  1 
ATOM   582 C  CD  . GLN A 1 81  ? 87.902 11.749 14.623 1.00 28.51 ? 81  GLN A CD  1 
ATOM   583 O  OE1 . GLN A 1 81  ? 88.788 11.000 15.023 1.00 32.20 ? 81  GLN A OE1 1 
ATOM   584 N  NE2 . GLN A 1 81  ? 87.106 11.385 13.608 1.00 32.31 ? 81  GLN A NE2 1 
ATOM   585 N  N   . ASP A 1 82  ? 90.025 17.116 14.348 1.00 17.87 ? 82  ASP A N   1 
ATOM   586 C  CA  . ASP A 1 82  ? 91.183 17.991 14.197 1.00 17.24 ? 82  ASP A CA  1 
ATOM   587 C  C   . ASP A 1 82  ? 90.793 19.105 13.246 1.00 16.17 ? 82  ASP A C   1 
ATOM   588 O  O   . ASP A 1 82  ? 90.888 18.962 12.026 1.00 17.06 ? 82  ASP A O   1 
ATOM   589 C  CB  . ASP A 1 82  ? 92.399 17.260 13.638 1.00 20.68 ? 82  ASP A CB  1 
ATOM   590 C  CG  . ASP A 1 82  ? 93.702 18.051 13.788 1.00 23.47 ? 82  ASP A CG  1 
ATOM   591 O  OD1 . ASP A 1 82  ? 93.693 19.277 13.595 1.00 24.33 ? 82  ASP A OD1 1 
ATOM   592 O  OD2 . ASP A 1 82  ? 94.754 17.414 13.881 1.00 25.56 ? 82  ASP A OD2 1 
ATOM   593 N  N   . PRO A 1 83  ? 90.320 20.224 13.771 1.00 14.37 ? 83  PRO A N   1 
ATOM   594 C  CA  . PRO A 1 83  ? 89.745 21.251 12.936 1.00 14.94 ? 83  PRO A CA  1 
ATOM   595 C  C   . PRO A 1 83  ? 90.724 21.943 12.006 1.00 16.27 ? 83  PRO A C   1 
ATOM   596 O  O   . PRO A 1 83  ? 90.406 22.116 10.837 1.00 15.90 ? 83  PRO A O   1 
ATOM   597 C  CB  . PRO A 1 83  ? 89.132 22.232 13.913 1.00 14.57 ? 83  PRO A CB  1 
ATOM   598 C  CG  . PRO A 1 83  ? 88.965 21.500 15.229 1.00 14.07 ? 83  PRO A CG  1 
ATOM   599 C  CD  . PRO A 1 83  ? 89.888 20.310 15.174 1.00 12.37 ? 83  PRO A CD  1 
ATOM   600 N  N   . THR A 1 84  ? 91.987 22.063 12.380 1.00 16.98 ? 84  THR A N   1 
ATOM   601 C  CA  . THR A 1 84  ? 92.915 22.752 11.522 1.00 17.48 ? 84  THR A CA  1 
ATOM   602 C  C   . THR A 1 84  ? 93.415 21.858 10.414 1.00 18.21 ? 84  THR A C   1 
ATOM   603 O  O   . THR A 1 84  ? 93.462 22.267 9.262  1.00 17.36 ? 84  THR A O   1 
ATOM   604 C  CB  . THR A 1 84  ? 94.068 23.306 12.349 1.00 17.39 ? 84  THR A CB  1 
ATOM   605 O  OG1 . THR A 1 84  ? 93.522 24.426 13.008 1.00 19.27 ? 84  THR A OG1 1 
ATOM   606 C  CG2 . THR A 1 84  ? 95.211 23.775 11.484 1.00 19.96 ? 84  THR A CG2 1 
ATOM   607 N  N   . LYS A 1 85  ? 93.556 20.574 10.684 1.00 17.95 ? 85  LYS A N   1 
ATOM   608 C  CA  . LYS A 1 85  ? 94.005 19.684 9.646  1.00 18.72 ? 85  LYS A CA  1 
ATOM   609 C  C   . LYS A 1 85  ? 92.893 19.565 8.625  1.00 18.96 ? 85  LYS A C   1 
ATOM   610 O  O   . LYS A 1 85  ? 93.137 19.421 7.420  1.00 18.56 ? 85  LYS A O   1 
ATOM   611 C  CB  . LYS A 1 85  ? 94.308 18.318 10.247 1.00 20.70 ? 85  LYS A CB  1 
ATOM   612 C  CG  . LYS A 1 85  ? 94.800 17.281 9.239  1.00 24.30 ? 85  LYS A CG  1 
ATOM   613 C  CD  . LYS A 1 85  ? 95.238 16.006 9.952  1.00 26.54 ? 85  LYS A CD  1 
ATOM   614 C  CE  . LYS A 1 85  ? 94.551 14.790 9.354  1.00 28.72 ? 85  LYS A CE  1 
ATOM   615 N  N   . PHE A 1 86  ? 91.668 19.348 9.117  1.00 16.77 ? 86  PHE A N   1 
ATOM   616 C  CA  . PHE A 1 86  ? 90.540 19.226 8.223  1.00 15.10 ? 86  PHE A CA  1 
ATOM   617 C  C   . PHE A 1 86  ? 90.453 20.417 7.290  1.00 16.80 ? 86  PHE A C   1 
ATOM   618 O  O   . PHE A 1 86  ? 90.271 20.241 6.100  1.00 17.31 ? 86  PHE A O   1 
ATOM   619 C  CB  . PHE A 1 86  ? 89.241 19.158 9.014  1.00 13.59 ? 86  PHE A CB  1 
ATOM   620 C  CG  . PHE A 1 86  ? 88.024 19.199 8.111  1.00 13.33 ? 86  PHE A CG  1 
ATOM   621 C  CD1 . PHE A 1 86  ? 87.551 18.030 7.543  1.00 15.74 ? 86  PHE A CD1 1 
ATOM   622 C  CD2 . PHE A 1 86  ? 87.415 20.401 7.828  1.00 14.35 ? 86  PHE A CD2 1 
ATOM   623 C  CE1 . PHE A 1 86  ? 86.461 18.064 6.702  1.00 16.24 ? 86  PHE A CE1 1 
ATOM   624 C  CE2 . PHE A 1 86  ? 86.329 20.432 6.982  1.00 15.62 ? 86  PHE A CE2 1 
ATOM   625 C  CZ  . PHE A 1 86  ? 85.853 19.267 6.430  1.00 14.12 ? 86  PHE A CZ  1 
ATOM   626 N  N   . LEU A 1 87  ? 90.585 21.636 7.817  1.00 16.77 ? 87  LEU A N   1 
ATOM   627 C  CA  . LEU A 1 87  ? 90.461 22.847 7.014  1.00 16.52 ? 87  LEU A CA  1 
ATOM   628 C  C   . LEU A 1 87  ? 91.596 22.958 6.008  1.00 18.79 ? 87  LEU A C   1 
ATOM   629 O  O   . LEU A 1 87  ? 91.375 23.382 4.869  1.00 20.00 ? 87  LEU A O   1 
ATOM   630 C  CB  . LEU A 1 87  ? 90.494 24.059 7.913  1.00 16.15 ? 87  LEU A CB  1 
ATOM   631 C  CG  . LEU A 1 87  ? 89.233 24.859 8.211  1.00 19.53 ? 87  LEU A CG  1 
ATOM   632 C  CD1 . LEU A 1 87  ? 87.953 24.151 7.832  1.00 16.11 ? 87  LEU A CD1 1 
ATOM   633 C  CD2 . LEU A 1 87  ? 89.258 25.318 9.662  1.00 16.79 ? 87  LEU A CD2 1 
ATOM   634 N  N   . LYS A 1 88  ? 92.803 22.501 6.349  1.00 18.37 ? 88  LYS A N   1 
ATOM   635 C  CA  . LYS A 1 88  ? 93.890 22.571 5.377  1.00 20.17 ? 88  LYS A CA  1 
ATOM   636 C  C   . LYS A 1 88  ? 93.656 21.602 4.206  1.00 22.11 ? 88  LYS A C   1 
ATOM   637 O  O   . LYS A 1 88  ? 93.838 21.929 3.035  1.00 21.90 ? 88  LYS A O   1 
ATOM   638 C  CB  . LYS A 1 88  ? 95.184 22.174 6.029  1.00 17.51 ? 88  LYS A CB  1 
ATOM   639 C  CG  . LYS A 1 88  ? 95.730 23.195 6.987  1.00 18.41 ? 88  LYS A CG  1 
ATOM   640 C  CD  . LYS A 1 88  ? 97.151 22.769 7.268  1.00 21.59 ? 88  LYS A CD  1 
ATOM   641 C  CE  . LYS A 1 88  ? 97.652 23.375 8.561  1.00 26.01 ? 88  LYS A CE  1 
ATOM   642 N  NZ  . LYS A 1 88  ? 97.885 24.798 8.420  1.00 27.40 ? 88  LYS A NZ  1 
ATOM   643 N  N   . GLU A 1 89  ? 93.158 20.403 4.468  1.00 22.09 ? 89  GLU A N   1 
ATOM   644 C  CA  . GLU A 1 89  ? 92.966 19.479 3.377  1.00 22.85 ? 89  GLU A CA  1 
ATOM   645 C  C   . GLU A 1 89  ? 91.831 19.899 2.486  1.00 23.94 ? 89  GLU A C   1 
ATOM   646 O  O   . GLU A 1 89  ? 91.847 19.635 1.291  1.00 23.71 ? 89  GLU A O   1 
ATOM   647 C  CB  . GLU A 1 89  ? 92.704 18.077 3.909  1.00 25.54 ? 89  GLU A CB  1 
ATOM   648 C  CG  . GLU A 1 89  ? 93.863 17.541 4.745  1.00 28.97 ? 89  GLU A CG  1 
ATOM   649 C  CD  . GLU A 1 89  ? 93.608 16.193 5.417  1.00 31.19 ? 89  GLU A CD  1 
ATOM   650 N  N   . TYR A 1 90  ? 90.690 20.179 3.098  1.00 23.86 ? 90  TYR A N   1 
ATOM   651 C  CA  . TYR A 1 90  ? 89.524 20.570 2.344  1.00 22.87 ? 90  TYR A CA  1 
ATOM   652 C  C   . TYR A 1 90  ? 89.797 21.768 1.450  1.00 23.64 ? 90  TYR A C   1 
ATOM   653 O  O   . TYR A 1 90  ? 89.210 21.894 0.379  1.00 25.07 ? 90  TYR A O   1 
ATOM   654 C  CB  . TYR A 1 90  ? 88.397 20.907 3.305  1.00 20.76 ? 90  TYR A CB  1 
ATOM   655 C  CG  . TYR A 1 90  ? 87.065 20.985 2.591  1.00 19.94 ? 90  TYR A CG  1 
ATOM   656 C  CD1 . TYR A 1 90  ? 86.343 19.826 2.364  1.00 20.28 ? 90  TYR A CD1 1 
ATOM   657 C  CD2 . TYR A 1 90  ? 86.652 22.176 2.037  1.00 18.73 ? 90  TYR A CD2 1 
ATOM   658 C  CE1 . TYR A 1 90  ? 85.220 19.864 1.561  1.00 20.98 ? 90  TYR A CE1 1 
ATOM   659 C  CE2 . TYR A 1 90  ? 85.535 22.211 1.234  1.00 19.76 ? 90  TYR A CE2 1 
ATOM   660 C  CZ  . TYR A 1 90  ? 84.835 21.060 1.007  1.00 19.79 ? 90  TYR A CZ  1 
ATOM   661 O  OH  . TYR A 1 90  ? 83.682 21.105 0.263  1.00 24.06 ? 90  TYR A OH  1 
ATOM   662 N  N   . THR A 1 91  ? 90.190 22.844 2.099  1.00 22.22 ? 91  THR A N   1 
ATOM   663 C  CA  . THR A 1 91  ? 90.472 24.104 1.455  1.00 22.91 ? 91  THR A CA  1 
ATOM   664 C  C   . THR A 1 91  ? 91.587 24.018 0.399  1.00 22.94 ? 91  THR A C   1 
ATOM   665 O  O   . THR A 1 91  ? 91.576 24.738 -0.602 1.00 20.37 ? 91  THR A O   1 
ATOM   666 C  CB  . THR A 1 91  ? 90.830 25.000 2.636  1.00 24.04 ? 91  THR A CB  1 
ATOM   667 O  OG1 . THR A 1 91  ? 89.870 26.026 2.697  1.00 28.96 ? 91  THR A OG1 1 
ATOM   668 C  CG2 . THR A 1 91  ? 92.244 25.490 2.611  1.00 21.71 ? 91  THR A CG2 1 
ATOM   669 N  N   . GLY A 1 92  ? 92.472 23.017 0.492  1.00 21.78 ? 92  GLY A N   1 
ATOM   670 C  CA  . GLY A 1 92  ? 93.562 22.935 -0.470 1.00 23.06 ? 92  GLY A CA  1 
ATOM   671 C  C   . GLY A 1 92  ? 94.626 24.004 -0.229 1.00 21.84 ? 92  GLY A C   1 
ATOM   672 O  O   . GLY A 1 92  ? 95.651 24.034 -0.897 1.00 20.35 ? 92  GLY A O   1 
ATOM   673 N  N   . ASP A 1 93  ? 94.566 24.658 0.920  1.00 20.79 ? 93  ASP A N   1 
ATOM   674 C  CA  . ASP A 1 93  ? 95.542 25.671 1.252  1.00 21.16 ? 93  ASP A CA  1 
ATOM   675 C  C   . ASP A 1 93  ? 96.220 25.241 2.541  1.00 22.71 ? 93  ASP A C   1 
ATOM   676 O  O   . ASP A 1 93  ? 95.654 25.368 3.615  1.00 24.09 ? 93  ASP A O   1 
ATOM   677 C  CB  . ASP A 1 93  ? 94.830 26.983 1.445  1.00 21.94 ? 93  ASP A CB  1 
ATOM   678 C  CG  . ASP A 1 93  ? 95.643 28.047 2.151  1.00 24.40 ? 93  ASP A CG  1 
ATOM   679 O  OD1 . ASP A 1 93  ? 96.859 27.919 2.202  1.00 25.09 ? 93  ASP A OD1 1 
ATOM   680 O  OD2 . ASP A 1 93  ? 95.115 29.144 2.287  1.00 27.86 ? 93  ASP A OD2 1 
ATOM   681 N  N   . ALA A 1 94  ? 97.513 24.971 2.517  1.00 22.54 ? 94  ALA A N   1 
ATOM   682 C  CA  . ALA A 1 94  ? 98.174 24.486 3.711  1.00 21.72 ? 94  ALA A CA  1 
ATOM   683 C  C   . ALA A 1 94  ? 98.295 25.485 4.824  1.00 21.86 ? 94  ALA A C   1 
ATOM   684 O  O   . ALA A 1 94  ? 98.840 25.170 5.864  1.00 22.53 ? 94  ALA A O   1 
ATOM   685 C  CB  . ALA A 1 94  ? 99.571 24.021 3.369  1.00 23.35 ? 94  ALA A CB  1 
ATOM   686 N  N   . LYS A 1 95  ? 98.198 26.744 4.515  1.00 22.26 ? 95  LYS A N   1 
ATOM   687 C  CA  . LYS A 1 95  ? 98.322 27.744 5.564  1.00 25.24 ? 95  LYS A CA  1 
ATOM   688 C  C   . LYS A 1 95  ? 97.032 27.927 6.359  1.00 25.02 ? 95  LYS A C   1 
ATOM   689 O  O   . LYS A 1 95  ? 96.921 28.890 7.117  1.00 26.55 ? 95  LYS A O   1 
ATOM   690 C  CB  . LYS A 1 95  ? 98.707 29.096 4.962  1.00 26.12 ? 95  LYS A CB  1 
ATOM   691 C  CG  . LYS A 1 95  ? 99.948 29.061 4.080  1.00 28.44 ? 95  LYS A CG  1 
ATOM   692 N  N   . ALA A 1 96  ? 95.941 27.305 5.908  1.00 25.01 ? 96  ALA A N   1 
ATOM   693 C  CA  . ALA A 1 96  ? 94.672 27.437 6.595  1.00 25.29 ? 96  ALA A CA  1 
ATOM   694 C  C   . ALA A 1 96  ? 94.735 27.067 8.071  1.00 25.53 ? 96  ALA A C   1 
ATOM   695 O  O   . ALA A 1 96  ? 95.353 26.068 8.462  1.00 24.62 ? 96  ALA A O   1 
ATOM   696 C  CB  . ALA A 1 96  ? 93.657 26.508 5.964  1.00 26.50 ? 96  ALA A CB  1 
ATOM   697 N  N   . LYS A 1 97  ? 93.999 27.826 8.898  1.00 26.17 ? 97  LYS A N   1 
ATOM   698 C  CA  . LYS A 1 97  ? 93.934 27.562 10.341 1.00 26.01 ? 97  LYS A CA  1 
ATOM   699 C  C   . LYS A 1 97  ? 92.525 27.759 10.885 1.00 23.39 ? 97  LYS A C   1 
ATOM   700 O  O   . LYS A 1 97  ? 91.720 28.505 10.325 1.00 22.99 ? 97  LYS A O   1 
ATOM   701 C  CB  . LYS A 1 97  ? 94.833 28.511 11.117 1.00 27.03 ? 97  LYS A CB  1 
ATOM   702 N  N   . GLY A 1 98  ? 92.117 26.870 11.782 1.00 23.11 ? 98  GLY A N   1 
ATOM   703 C  CA  . GLY A 1 98  ? 90.795 26.975 12.374 1.00 21.59 ? 98  GLY A CA  1 
ATOM   704 C  C   . GLY A 1 98  ? 90.852 27.726 13.700 1.00 20.44 ? 98  GLY A C   1 
ATOM   705 O  O   . GLY A 1 98  ? 91.932 27.939 14.262 1.00 22.14 ? 98  GLY A O   1 
ATOM   706 N  N   . LYS A 1 99  ? 89.799 28.447 14.041 1.00 17.81 ? 99  LYS A N   1 
ATOM   707 C  CA  . LYS A 1 99  ? 89.785 29.153 15.316 1.00 18.27 ? 99  LYS A CA  1 
ATOM   708 C  C   . LYS A 1 99  ? 89.369 28.217 16.450 1.00 17.56 ? 99  LYS A C   1 
ATOM   709 O  O   . LYS A 1 99  ? 89.304 28.647 17.590 1.00 16.70 ? 99  LYS A O   1 
ATOM   710 C  CB  . LYS A 1 99  ? 88.782 30.295 15.271 1.00 19.36 ? 99  LYS A CB  1 
ATOM   711 C  CG  . LYS A 1 99  ? 89.080 31.347 14.219 1.00 22.91 ? 99  LYS A CG  1 
ATOM   712 C  CD  . LYS A 1 99  ? 89.857 32.474 14.855 1.00 26.87 ? 99  LYS A CD  1 
ATOM   713 C  CE  . LYS A 1 99  ? 88.923 33.640 15.126 1.00 31.07 ? 99  LYS A CE  1 
ATOM   714 N  NZ  . LYS A 1 99  ? 87.936 33.305 16.140 1.00 29.65 ? 99  LYS A NZ  1 
ATOM   715 N  N   . MET A 1 100 ? 88.753 27.072 16.122 1.00 15.72 ? 100 MET A N   1 
ATOM   716 C  CA  . MET A 1 100 ? 88.302 26.121 17.129 1.00 13.96 ? 100 MET A CA  1 
ATOM   717 C  C   . MET A 1 100 ? 89.488 25.372 17.650 1.00 15.92 ? 100 MET A C   1 
ATOM   718 O  O   . MET A 1 100 ? 90.017 24.509 16.963 1.00 15.84 ? 100 MET A O   1 
ATOM   719 C  CB  . MET A 1 100 ? 87.301 25.140 16.516 1.00 13.64 ? 100 MET A CB  1 
ATOM   720 C  CG  . MET A 1 100 ? 86.765 24.030 17.419 1.00 8.91  ? 100 MET A CG  1 
ATOM   721 S  SD  . MET A 1 100 ? 85.233 23.263 16.796 1.00 11.25 ? 100 MET A SD  1 
ATOM   722 C  CE  . MET A 1 100 ? 85.511 21.620 17.330 1.00 7.43  ? 100 MET A CE  1 
ATOM   723 N  N   . THR A 1 101 ? 89.815 25.562 18.920 1.00 17.35 ? 101 THR A N   1 
ATOM   724 C  CA  . THR A 1 101 ? 90.990 24.894 19.444 1.00 20.56 ? 101 THR A CA  1 
ATOM   725 C  C   . THR A 1 101 ? 90.705 23.641 20.258 1.00 21.81 ? 101 THR A C   1 
ATOM   726 O  O   . THR A 1 101 ? 91.648 22.902 20.532 1.00 26.48 ? 101 THR A O   1 
ATOM   727 C  CB  . THR A 1 101 ? 91.823 25.869 20.271 1.00 18.49 ? 101 THR A CB  1 
ATOM   728 O  OG1 . THR A 1 101 ? 90.966 26.323 21.289 1.00 19.18 ? 101 THR A OG1 1 
ATOM   729 C  CG2 . THR A 1 101 ? 92.292 27.052 19.447 1.00 19.82 ? 101 THR A CG2 1 
ATOM   730 N  N   . PHE A 1 102 ? 89.522 23.080 20.086 1.00 21.14 ? 102 PHE A N   1 
ATOM   731 C  CA  . PHE A 1 102 ? 89.189 21.858 20.797 1.00 21.36 ? 102 PHE A CA  1 
ATOM   732 C  C   . PHE A 1 102 ? 89.201 20.680 19.843 1.00 20.98 ? 102 PHE A C   1 
ATOM   733 O  O   . PHE A 1 102 ? 88.959 20.886 18.669 1.00 20.34 ? 102 PHE A O   1 
ATOM   734 C  CB  . PHE A 1 102 ? 87.787 21.959 21.404 1.00 20.58 ? 102 PHE A CB  1 
ATOM   735 C  CG  . PHE A 1 102 ? 87.256 20.663 22.025 1.00 19.97 ? 102 PHE A CG  1 
ATOM   736 C  CD1 . PHE A 1 102 ? 87.531 20.370 23.350 1.00 21.96 ? 102 PHE A CD1 1 
ATOM   737 C  CD2 . PHE A 1 102 ? 86.482 19.786 21.287 1.00 19.78 ? 102 PHE A CD2 1 
ATOM   738 C  CE1 . PHE A 1 102 ? 87.027 19.219 23.938 1.00 20.13 ? 102 PHE A CE1 1 
ATOM   739 C  CE2 . PHE A 1 102 ? 85.991 18.637 21.872 1.00 18.83 ? 102 PHE A CE2 1 
ATOM   740 C  CZ  . PHE A 1 102 ? 86.252 18.356 23.198 1.00 22.46 ? 102 PHE A CZ  1 
ATOM   741 N  N   . LYS A 1 103 ? 89.842 19.572 20.217 1.00 19.87 ? 103 LYS A N   1 
ATOM   742 C  CA  . LYS A 1 103 ? 89.833 18.385 19.387 1.00 20.02 ? 103 LYS A CA  1 
ATOM   743 C  C   . LYS A 1 103 ? 89.118 17.258 20.134 1.00 20.91 ? 103 LYS A C   1 
ATOM   744 O  O   . LYS A 1 103 ? 89.557 16.857 21.222 1.00 20.05 ? 103 LYS A O   1 
ATOM   745 C  CB  . LYS A 1 103 ? 91.244 17.888 19.101 1.00 20.94 ? 103 LYS A CB  1 
ATOM   746 C  CG  . LYS A 1 103 ? 92.058 18.817 18.227 1.00 23.41 ? 103 LYS A CG  1 
ATOM   747 C  CD  . LYS A 1 103 ? 93.428 18.203 18.022 1.00 27.14 ? 103 LYS A CD  1 
ATOM   748 C  CE  . LYS A 1 103 ? 94.292 19.112 17.173 1.00 32.32 ? 103 LYS A CE  1 
ATOM   749 N  NZ  . LYS A 1 103 ? 95.595 18.506 16.963 1.00 34.38 ? 103 LYS A NZ  1 
ATOM   750 N  N   . LEU A 1 104 ? 88.133 16.616 19.492 1.00 18.19 ? 104 LEU A N   1 
ATOM   751 C  CA  . LEU A 1 104 ? 87.413 15.506 20.094 1.00 19.46 ? 104 LEU A CA  1 
ATOM   752 C  C   . LEU A 1 104 ? 88.250 14.273 19.848 1.00 20.65 ? 104 LEU A C   1 
ATOM   753 O  O   . LEU A 1 104 ? 88.403 13.875 18.702 1.00 21.52 ? 104 LEU A O   1 
ATOM   754 C  CB  . LEU A 1 104 ? 86.063 15.353 19.410 1.00 20.09 ? 104 LEU A CB  1 
ATOM   755 C  CG  . LEU A 1 104 ? 85.040 14.440 20.061 1.00 19.32 ? 104 LEU A CG  1 
ATOM   756 C  CD1 . LEU A 1 104 ? 84.720 14.954 21.450 1.00 18.75 ? 104 LEU A CD1 1 
ATOM   757 C  CD2 . LEU A 1 104 ? 83.773 14.364 19.225 1.00 18.63 ? 104 LEU A CD2 1 
ATOM   758 N  N   . LYS A 1 105 ? 88.717 13.561 20.884 1.00 23.91 ? 105 LYS A N   1 
ATOM   759 C  CA  . LYS A 1 105 ? 89.599 12.420 20.626 1.00 26.02 ? 105 LYS A CA  1 
ATOM   760 C  C   . LYS A 1 105 ? 88.907 11.152 20.213 1.00 25.49 ? 105 LYS A C   1 
ATOM   761 O  O   . LYS A 1 105 ? 89.490 10.385 19.471 1.00 26.50 ? 105 LYS A O   1 
ATOM   762 C  CB  . LYS A 1 105 ? 90.493 12.045 21.811 1.00 30.39 ? 105 LYS A CB  1 
ATOM   763 C  CG  . LYS A 1 105 ? 90.592 13.087 22.917 1.00 37.59 ? 105 LYS A CG  1 
ATOM   764 C  CD  . LYS A 1 105 ? 91.482 14.248 22.493 1.00 39.53 ? 105 LYS A CD  1 
ATOM   765 N  N   . LYS A 1 106 ? 87.628 10.978 20.513 1.00 24.34 ? 106 LYS A N   1 
ATOM   766 C  CA  . LYS A 1 106 ? 86.982 9.738  20.154 1.00 25.32 ? 106 LYS A CA  1 
ATOM   767 C  C   . LYS A 1 106 ? 86.047 9.844  18.952 1.00 24.45 ? 106 LYS A C   1 
ATOM   768 O  O   . LYS A 1 106 ? 85.047 10.549 18.988 1.00 21.02 ? 106 LYS A O   1 
ATOM   769 C  CB  . LYS A 1 106 ? 86.200 9.214  21.349 1.00 27.46 ? 106 LYS A CB  1 
ATOM   770 C  CG  . LYS A 1 106 ? 86.933 8.124  22.114 1.00 31.85 ? 106 LYS A CG  1 
ATOM   771 C  CD  . LYS A 1 106 ? 86.418 8.013  23.547 1.00 35.62 ? 106 LYS A CD  1 
ATOM   772 N  N   . GLU A 1 107 ? 86.261 8.972  17.958 1.00 24.83 ? 107 GLU A N   1 
ATOM   773 C  CA  . GLU A 1 107 ? 85.425 8.921  16.767 1.00 25.63 ? 107 GLU A CA  1 
ATOM   774 C  C   . GLU A 1 107 ? 84.005 8.586  17.151 1.00 22.00 ? 107 GLU A C   1 
ATOM   775 O  O   . GLU A 1 107 ? 83.071 8.984  16.472 1.00 21.90 ? 107 GLU A O   1 
ATOM   776 C  CB  . GLU A 1 107 ? 85.912 7.823  15.837 1.00 31.71 ? 107 GLU A CB  1 
ATOM   777 C  CG  . GLU A 1 107 ? 85.167 7.765  14.511 1.00 43.22 ? 107 GLU A CG  1 
ATOM   778 C  CD  . GLU A 1 107 ? 86.042 7.254  13.359 1.00 51.05 ? 107 GLU A CD  1 
ATOM   779 O  OE1 . GLU A 1 107 ? 86.849 8.039  12.840 1.00 52.76 ? 107 GLU A OE1 1 
ATOM   780 O  OE2 . GLU A 1 107 ? 86.097 6.037  13.158 1.00 52.50 ? 107 GLU A OE2 1 
ATOM   781 N  N   . ALA A 1 108 ? 83.841 7.578  18.013 1.00 19.18 ? 108 ALA A N   1 
ATOM   782 C  CA  . ALA A 1 108 ? 82.510 7.185  18.444 1.00 17.28 ? 108 ALA A CA  1 
ATOM   783 C  C   . ALA A 1 108 ? 81.745 8.368  18.992 1.00 15.41 ? 108 ALA A C   1 
ATOM   784 O  O   . ALA A 1 108 ? 80.549 8.504  18.780 1.00 13.11 ? 108 ALA A O   1 
ATOM   785 C  CB  . ALA A 1 108 ? 82.622 6.144  19.545 1.00 17.43 ? 108 ALA A CB  1 
ATOM   786 N  N   . ASP A 1 109 ? 82.381 9.207  19.801 1.00 13.22 ? 109 ASP A N   1 
ATOM   787 C  CA  . ASP A 1 109 ? 81.679 10.364 20.321 1.00 13.92 ? 109 ASP A CA  1 
ATOM   788 C  C   . ASP A 1 109 ? 81.278 11.295 19.179 1.00 12.55 ? 109 ASP A C   1 
ATOM   789 O  O   . ASP A 1 109 ? 80.214 11.899 19.208 1.00 12.05 ? 109 ASP A O   1 
ATOM   790 C  CB  . ASP A 1 109 ? 82.575 11.138 21.273 1.00 15.30 ? 109 ASP A CB  1 
ATOM   791 C  CG  . ASP A 1 109 ? 82.648 10.537 22.668 1.00 19.56 ? 109 ASP A CG  1 
ATOM   792 O  OD1 . ASP A 1 109 ? 82.293 9.373  22.795 1.00 21.43 ? 109 ASP A OD1 1 
ATOM   793 O  OD2 . ASP A 1 109 ? 83.426 11.063 23.462 1.00 20.23 ? 109 ASP A OD2 1 
ATOM   794 N  N   . ALA A 1 110 ? 82.118 11.420 18.133 1.00 13.18 ? 110 ALA A N   1 
ATOM   795 C  CA  . ALA A 1 110 ? 81.788 12.279 17.000 1.00 11.93 ? 110 ALA A CA  1 
ATOM   796 C  C   . ALA A 1 110 ? 80.544 11.793 16.284 1.00 11.92 ? 110 ALA A C   1 
ATOM   797 O  O   . ALA A 1 110 ? 79.658 12.596 15.985 1.00 12.60 ? 110 ALA A O   1 
ATOM   798 C  CB  . ALA A 1 110 ? 82.912 12.251 15.988 1.00 12.20 ? 110 ALA A CB  1 
ATOM   799 N  N   . HIS A 1 111 ? 80.420 10.485 16.063 1.00 9.60  ? 111 HIS A N   1 
ATOM   800 C  CA  . HIS A 1 111 ? 79.234 9.957  15.435 1.00 9.67  ? 111 HIS A CA  1 
ATOM   801 C  C   . HIS A 1 111 ? 78.021 10.095 16.351 1.00 11.40 ? 111 HIS A C   1 
ATOM   802 O  O   . HIS A 1 111 ? 76.917 10.297 15.882 1.00 10.44 ? 111 HIS A O   1 
ATOM   803 C  CB  . HIS A 1 111 ? 79.438 8.488  15.097 1.00 9.96  ? 111 HIS A CB  1 
ATOM   804 C  CG  . HIS A 1 111 ? 80.353 8.269  13.912 1.00 11.44 ? 111 HIS A CG  1 
ATOM   805 N  ND1 . HIS A 1 111 ? 79.988 8.568  12.679 1.00 13.41 ? 111 HIS A ND1 1 
ATOM   806 C  CD2 . HIS A 1 111 ? 81.606 7.746  13.933 1.00 14.10 ? 111 HIS A CD2 1 
ATOM   807 C  CE1 . HIS A 1 111 ? 81.006 8.264  11.929 1.00 14.41 ? 111 HIS A CE1 1 
ATOM   808 N  NE2 . HIS A 1 111 ? 81.965 7.755  12.672 1.00 15.59 ? 111 HIS A NE2 1 
ATOM   809 N  N   . ASN A 1 112 ? 78.165 9.867  17.668 1.00 10.61 ? 112 ASN A N   1 
ATOM   810 C  CA  . ASN A 1 112 ? 77.033 9.996  18.589 1.00 10.86 ? 112 ASN A CA  1 
ATOM   811 C  C   . ASN A 1 112 ? 76.511 11.416 18.643 1.00 8.73  ? 112 ASN A C   1 
ATOM   812 O  O   . ASN A 1 112 ? 75.305 11.663 18.702 1.00 10.35 ? 112 ASN A O   1 
ATOM   813 C  CB  . ASN A 1 112 ? 77.419 9.556  19.995 1.00 10.57 ? 112 ASN A CB  1 
ATOM   814 C  CG  . ASN A 1 112 ? 77.725 8.066  20.087 1.00 15.99 ? 112 ASN A CG  1 
ATOM   815 O  OD1 . ASN A 1 112 ? 78.441 7.613  21.000 1.00 18.97 ? 112 ASN A OD1 1 
ATOM   816 N  ND2 . ASN A 1 112 ? 77.244 7.257  19.132 1.00 11.63 ? 112 ASN A ND2 1 
ATOM   817 N  N   . ILE A 1 113 ? 77.414 12.374 18.687 1.00 8.49  ? 113 ILE A N   1 
ATOM   818 C  CA  . ILE A 1 113 ? 77.033 13.765 18.707 1.00 10.18 ? 113 ILE A CA  1 
ATOM   819 C  C   . ILE A 1 113 ? 76.344 14.141 17.396 1.00 10.38 ? 113 ILE A C   1 
ATOM   820 O  O   . ILE A 1 113 ? 75.308 14.801 17.411 1.00 8.89  ? 113 ILE A O   1 
ATOM   821 C  CB  . ILE A 1 113 ? 78.276 14.636 18.949 1.00 11.03 ? 113 ILE A CB  1 
ATOM   822 C  CG1 . ILE A 1 113 ? 78.761 14.528 20.395 1.00 10.44 ? 113 ILE A CG1 1 
ATOM   823 C  CG2 . ILE A 1 113 ? 77.960 16.084 18.593 1.00 13.28 ? 113 ILE A CG2 1 
ATOM   824 C  CD1 . ILE A 1 113 ? 80.081 15.268 20.640 1.00 7.87  ? 113 ILE A CD1 1 
ATOM   825 N  N   . TRP A 1 114 ? 76.750 13.559 16.258 1.00 11.60 ? 114 TRP A N   1 
ATOM   826 C  CA  . TRP A 1 114 ? 76.060 13.884 15.017 1.00 11.20 ? 114 TRP A CA  1 
ATOM   827 C  C   . TRP A 1 114 ? 74.640 13.325 15.064 1.00 10.19 ? 114 TRP A C   1 
ATOM   828 O  O   . TRP A 1 114 ? 73.683 13.969 14.635 1.00 8.97  ? 114 TRP A O   1 
ATOM   829 C  CB  . TRP A 1 114 ? 76.804 13.298 13.809 1.00 8.87  ? 114 TRP A CB  1 
ATOM   830 C  CG  . TRP A 1 114 ? 76.110 13.687 12.483 1.00 8.96  ? 114 TRP A CG  1 
ATOM   831 C  CD1 . TRP A 1 114 ? 75.371 12.775 11.776 1.00 10.96 ? 114 TRP A CD1 1 
ATOM   832 C  CD2 . TRP A 1 114 ? 76.083 14.932 11.915 1.00 10.01 ? 114 TRP A CD2 1 
ATOM   833 N  NE1 . TRP A 1 114 ? 74.881 13.435 10.730 1.00 10.88 ? 114 TRP A NE1 1 
ATOM   834 C  CE2 . TRP A 1 114 ? 75.269 14.730 10.794 1.00 12.14 ? 114 TRP A CE2 1 
ATOM   835 C  CE3 . TRP A 1 114 ? 76.604 16.180 12.194 1.00 12.77 ? 114 TRP A CE3 1 
ATOM   836 C  CZ2 . TRP A 1 114 ? 74.960 15.788 9.941  1.00 11.81 ? 114 TRP A CZ2 1 
ATOM   837 C  CZ3 . TRP A 1 114 ? 76.304 17.232 11.335 1.00 13.76 ? 114 TRP A CZ3 1 
ATOM   838 C  CH2 . TRP A 1 114 ? 75.493 17.041 10.219 1.00 14.36 ? 114 TRP A CH2 1 
ATOM   839 N  N   . ALA A 1 115 ? 74.451 12.129 15.620 1.00 7.55  ? 115 ALA A N   1 
ATOM   840 C  CA  . ALA A 1 115 ? 73.118 11.570 15.696 1.00 8.98  ? 115 ALA A CA  1 
ATOM   841 C  C   . ALA A 1 115 ? 72.214 12.400 16.614 1.00 9.47  ? 115 ALA A C   1 
ATOM   842 O  O   . ALA A 1 115 ? 71.016 12.583 16.355 1.00 9.16  ? 115 ALA A O   1 
ATOM   843 C  CB  . ALA A 1 115 ? 73.196 10.141 16.231 1.00 9.77  ? 115 ALA A CB  1 
ATOM   844 N  N   . TYR A 1 116 ? 72.806 12.993 17.656 1.00 10.47 ? 116 TYR A N   1 
ATOM   845 C  CA  . TYR A 1 116 ? 72.069 13.840 18.580 1.00 9.34  ? 116 TYR A CA  1 
ATOM   846 C  C   . TYR A 1 116 ? 71.647 15.128 17.864 1.00 7.89  ? 116 TYR A C   1 
ATOM   847 O  O   . TYR A 1 116 ? 70.492 15.543 17.898 1.00 10.06 ? 116 TYR A O   1 
ATOM   848 C  CB  . TYR A 1 116 ? 72.990 14.133 19.776 1.00 9.66  ? 116 TYR A CB  1 
ATOM   849 C  CG  . TYR A 1 116 ? 72.534 15.252 20.702 1.00 12.78 ? 116 TYR A CG  1 
ATOM   850 C  CD1 . TYR A 1 116 ? 71.306 15.159 21.338 1.00 14.38 ? 116 TYR A CD1 1 
ATOM   851 C  CD2 . TYR A 1 116 ? 73.338 16.354 20.890 1.00 13.47 ? 116 TYR A CD2 1 
ATOM   852 C  CE1 . TYR A 1 116 ? 70.861 16.174 22.172 1.00 16.29 ? 116 TYR A CE1 1 
ATOM   853 C  CE2 . TYR A 1 116 ? 72.905 17.370 21.715 1.00 17.46 ? 116 TYR A CE2 1 
ATOM   854 C  CZ  . TYR A 1 116 ? 71.672 17.275 22.350 1.00 18.59 ? 116 TYR A CZ  1 
ATOM   855 O  OH  . TYR A 1 116 ? 71.229 18.308 23.166 1.00 19.93 ? 116 TYR A OH  1 
ATOM   856 N  N   . LEU A 1 117 ? 72.487 15.653 16.990 1.00 11.65 ? 117 LEU A N   1 
ATOM   857 C  CA  . LEU A 1 117 ? 72.154 16.872 16.259 1.00 11.69 ? 117 LEU A CA  1 
ATOM   858 C  C   . LEU A 1 117 ? 71.080 16.614 15.219 1.00 11.58 ? 117 LEU A C   1 
ATOM   859 O  O   . LEU A 1 117 ? 70.314 17.499 14.875 1.00 11.80 ? 117 LEU A O   1 
ATOM   860 C  CB  . LEU A 1 117 ? 73.393 17.446 15.579 1.00 10.13 ? 117 LEU A CB  1 
ATOM   861 C  CG  . LEU A 1 117 ? 74.513 17.899 16.493 1.00 9.98  ? 117 LEU A CG  1 
ATOM   862 C  CD1 . LEU A 1 117 ? 75.722 18.276 15.657 1.00 12.71 ? 117 LEU A CD1 1 
ATOM   863 C  CD2 . LEU A 1 117 ? 74.049 19.042 17.377 1.00 11.72 ? 117 LEU A CD2 1 
ATOM   864 N  N   . GLN A 1 118 ? 71.054 15.428 14.633 1.00 13.63 ? 118 GLN A N   1 
ATOM   865 C  CA  . GLN A 1 118 ? 70.014 15.105 13.688 1.00 13.90 ? 118 GLN A CA  1 
ATOM   866 C  C   . GLN A 1 118 ? 68.695 14.964 14.433 1.00 16.81 ? 118 GLN A C   1 
ATOM   867 O  O   . GLN A 1 118 ? 67.629 14.881 13.822 1.00 18.06 ? 118 GLN A O   1 
ATOM   868 C  CB  . GLN A 1 118 ? 70.352 13.808 12.971 1.00 12.22 ? 118 GLN A CB  1 
ATOM   869 C  CG  . GLN A 1 118 ? 71.322 14.053 11.831 1.00 15.29 ? 118 GLN A CG  1 
ATOM   870 C  CD  . GLN A 1 118 ? 70.601 14.482 10.548 1.00 16.47 ? 118 GLN A CD  1 
ATOM   871 O  OE1 . GLN A 1 118 ? 71.030 14.184 9.447  1.00 19.64 ? 118 GLN A OE1 1 
ATOM   872 N  NE2 . GLN A 1 118 ? 69.477 15.176 10.622 1.00 12.36 ? 118 GLN A NE2 1 
ATOM   873 N  N   . GLN A 1 119 ? 68.729 14.810 15.763 1.00 18.08 ? 119 GLN A N   1 
ATOM   874 C  CA  . GLN A 1 119 ? 67.488 14.711 16.505 1.00 20.23 ? 119 GLN A CA  1 
ATOM   875 C  C   . GLN A 1 119 ? 67.025 16.052 17.006 1.00 19.85 ? 119 GLN A C   1 
ATOM   876 O  O   . GLN A 1 119 ? 65.874 16.399 16.865 1.00 18.93 ? 119 GLN A O   1 
ATOM   877 C  CB  . GLN A 1 119 ? 67.616 13.860 17.758 1.00 26.61 ? 119 GLN A CB  1 
ATOM   878 C  CG  . GLN A 1 119 ? 67.992 12.423 17.487 1.00 37.65 ? 119 GLN A CG  1 
ATOM   879 C  CD  . GLN A 1 119 ? 66.950 11.716 16.658 1.00 43.40 ? 119 GLN A CD  1 
ATOM   880 O  OE1 . GLN A 1 119 ? 65.751 11.839 16.892 1.00 47.98 ? 119 GLN A OE1 1 
ATOM   881 N  NE2 . GLN A 1 119 ? 67.383 10.996 15.629 1.00 50.84 ? 119 GLN A NE2 1 
ATOM   882 N  N   . VAL A 1 120 ? 67.913 16.951 17.367 1.00 18.13 ? 120 VAL A N   1 
ATOM   883 C  CA  . VAL A 1 120 ? 67.440 18.196 17.920 1.00 18.01 ? 120 VAL A CA  1 
ATOM   884 C  C   . VAL A 1 120 ? 67.812 19.467 17.168 1.00 18.85 ? 120 VAL A C   1 
ATOM   885 O  O   . VAL A 1 120 ? 67.417 20.562 17.582 1.00 19.31 ? 120 VAL A O   1 
ATOM   886 C  CB  . VAL A 1 120 ? 67.979 18.350 19.368 1.00 16.82 ? 120 VAL A CB  1 
ATOM   887 C  CG1 . VAL A 1 120 ? 67.539 17.221 20.273 1.00 17.38 ? 120 VAL A CG1 1 
ATOM   888 C  CG2 . VAL A 1 120 ? 69.496 18.460 19.373 1.00 14.22 ? 120 VAL A CG2 1 
ATOM   889 N  N   . ALA A 1 121 ? 68.796 19.431 16.283 1.00 17.51 ? 121 ALA A N   1 
ATOM   890 C  CA  . ALA A 1 121 ? 69.235 20.680 15.675 1.00 17.00 ? 121 ALA A CA  1 
ATOM   891 C  C   . ALA A 1 121 ? 68.942 20.825 14.206 1.00 18.57 ? 121 ALA A C   1 
ATOM   892 O  O   . ALA A 1 121 ? 69.675 21.502 13.505 1.00 17.53 ? 121 ALA A O   1 
ATOM   893 C  CB  . ALA A 1 121 ? 70.742 20.799 15.854 1.00 13.96 ? 121 ALA A CB  1 
ATOM   894 N  N   . VAL A 1 122 ? 67.901 20.167 13.708 1.00 22.46 ? 122 VAL A N   1 
ATOM   895 C  CA  . VAL A 1 122 ? 67.551 20.271 12.302 1.00 24.26 ? 122 VAL A CA  1 
ATOM   896 C  C   . VAL A 1 122 ? 66.519 21.362 12.123 1.00 28.51 ? 122 VAL A C   1 
ATOM   897 O  O   . VAL A 1 122 ? 65.429 21.289 12.696 1.00 26.64 ? 122 VAL A O   1 
ATOM   898 C  CB  . VAL A 1 122 ? 66.968 18.943 11.812 1.00 22.79 ? 122 VAL A CB  1 
ATOM   899 C  CG1 . VAL A 1 122 ? 66.614 19.031 10.341 1.00 20.88 ? 122 VAL A CG1 1 
ATOM   900 C  CG2 . VAL A 1 122 ? 67.961 17.823 12.030 1.00 22.38 ? 122 VAL A CG2 1 
ATOM   901 N  N   . ARG A 1 123 ? 66.792 22.323 11.241 1.00 33.85 ? 123 ARG A N   1 
ATOM   902 C  CA  . ARG A 1 123 ? 65.854 23.406 11.030 1.00 40.17 ? 123 ARG A CA  1 
ATOM   903 C  C   . ARG A 1 123 ? 64.926 23.155 9.855  1.00 48.05 ? 123 ARG A C   1 
ATOM   904 O  O   . ARG A 1 123 ? 65.226 22.364 8.962  1.00 47.21 ? 123 ARG A O   1 
ATOM   905 C  CB  . ARG A 1 123 ? 66.584 24.725 10.802 1.00 36.06 ? 123 ARG A CB  1 
ATOM   906 C  CG  . ARG A 1 123 ? 65.666 25.858 10.358 1.00 32.56 ? 123 ARG A CG  1 
ATOM   907 C  CD  . ARG A 1 123 ? 66.215 27.197 10.833 1.00 29.71 ? 123 ARG A CD  1 
ATOM   908 N  NE  . ARG A 1 123 ? 67.624 27.253 10.538 1.00 30.46 ? 123 ARG A NE  1 
ATOM   909 C  CZ  . ARG A 1 123 ? 68.483 27.772 11.396 1.00 26.47 ? 123 ARG A CZ  1 
ATOM   910 N  NH1 . ARG A 1 123 ? 68.051 28.538 12.376 1.00 24.43 ? 123 ARG A NH1 1 
ATOM   911 N  NH2 . ARG A 1 123 ? 69.771 27.761 11.098 1.00 26.16 ? 123 ARG A NH2 1 
ATOM   912 N  N   . PRO A 1 124 ? 63.656 23.503 10.055 1.00 55.03 ? 124 PRO A N   1 
ATOM   913 C  CA  . PRO A 1 124 ? 62.690 23.491 8.967  1.00 60.66 ? 124 PRO A CA  1 
ATOM   914 C  C   . PRO A 1 124 ? 62.420 24.913 8.490  1.00 64.15 ? 124 PRO A C   1 
ATOM   915 O  O   . PRO A 1 124 ? 62.011 25.743 9.317  1.00 66.73 ? 124 PRO A O   1 
ATOM   916 C  CB  . PRO A 1 124 ? 61.447 22.881 9.567  1.00 60.79 ? 124 PRO A CB  1 
ATOM   917 C  CG  . PRO A 1 124 ? 61.594 22.904 11.067 1.00 61.11 ? 124 PRO A CG  1 
ATOM   918 C  CD  . PRO A 1 124 ? 63.026 23.306 11.358 1.00 57.38 ? 124 PRO A CD  1 
ATOM   919 O  OXT . PRO A 1 124 ? 62.610 25.166 7.298  1.00 67.04 ? 124 PRO A OXT 1 
HETATM 920 FE FE  . HEC B 2 .   ? 83.263 24.168 17.721 1.00 12.12 ? 125 HEC A FE  1 
HETATM 921 C  CHA . HEC B 2 .   ? 82.996 25.963 14.866 1.00 10.23 ? 125 HEC A CHA 1 
HETATM 922 C  CHB . HEC B 2 .   ? 81.309 21.716 16.390 1.00 9.29  ? 125 HEC A CHB 1 
HETATM 923 C  CHC . HEC B 2 .   ? 83.694 22.281 20.550 1.00 11.47 ? 125 HEC A CHC 1 
HETATM 924 C  CHD . HEC B 2 .   ? 84.964 26.739 19.207 1.00 10.59 ? 125 HEC A CHD 1 
HETATM 925 N  NA  . HEC B 2 .   ? 82.372 23.871 15.983 1.00 7.33  ? 125 HEC A NA  1 
HETATM 926 C  C1A . HEC B 2 .   ? 82.377 24.725 14.891 1.00 9.03  ? 125 HEC A C1A 1 
HETATM 927 C  C2A . HEC B 2 .   ? 81.637 24.150 13.781 1.00 9.51  ? 125 HEC A C2A 1 
HETATM 928 C  C3A . HEC B 2 .   ? 81.184 22.943 14.193 1.00 7.83  ? 125 HEC A C3A 1 
HETATM 929 C  C4A . HEC B 2 .   ? 81.617 22.796 15.572 1.00 8.84  ? 125 HEC A C4A 1 
HETATM 930 C  CMA . HEC B 2 .   ? 80.466 21.920 13.324 1.00 8.08  ? 125 HEC A CMA 1 
HETATM 931 C  CAA . HEC B 2 .   ? 81.335 24.801 12.439 1.00 11.47 ? 125 HEC A CAA 1 
HETATM 932 C  CBA . HEC B 2 .   ? 79.931 25.385 12.440 1.00 12.62 ? 125 HEC A CBA 1 
HETATM 933 C  CGA . HEC B 2 .   ? 79.619 26.367 11.322 1.00 9.44  ? 125 HEC A CGA 1 
HETATM 934 O  O1A . HEC B 2 .   ? 78.960 27.350 11.590 1.00 10.67 ? 125 HEC A O1A 1 
HETATM 935 O  O2A . HEC B 2 .   ? 80.200 26.236 10.250 1.00 14.06 ? 125 HEC A O2A 1 
HETATM 936 N  NB  . HEC B 2 .   ? 82.658 22.391 18.323 1.00 11.38 ? 125 HEC A NB  1 
HETATM 937 C  C1B . HEC B 2 .   ? 81.779 21.536 17.674 1.00 10.87 ? 125 HEC A C1B 1 
HETATM 938 C  C2B . HEC B 2 .   ? 81.483 20.371 18.491 1.00 12.48 ? 125 HEC A C2B 1 
HETATM 939 C  C3B . HEC B 2 .   ? 82.214 20.472 19.645 1.00 12.97 ? 125 HEC A C3B 1 
HETATM 940 C  C4B . HEC B 2 .   ? 82.927 21.740 19.533 1.00 11.64 ? 125 HEC A C4B 1 
HETATM 941 C  CMB . HEC B 2 .   ? 80.526 19.236 18.107 1.00 11.48 ? 125 HEC A CMB 1 
HETATM 942 C  CAB . HEC B 2 .   ? 82.307 19.501 20.683 1.00 8.25  ? 125 HEC A CAB 1 
HETATM 943 C  CBB . HEC B 2 .   ? 82.878 18.164 20.462 1.00 10.12 ? 125 HEC A CBB 1 
HETATM 944 N  NC  . HEC B 2 .   ? 84.173 24.439 19.468 1.00 10.26 ? 125 HEC A NC  1 
HETATM 945 C  C1C . HEC B 2 .   ? 84.263 23.537 20.524 1.00 11.50 ? 125 HEC A C1C 1 
HETATM 946 C  C2C . HEC B 2 .   ? 84.921 24.140 21.666 1.00 10.86 ? 125 HEC A C2C 1 
HETATM 947 C  C3C . HEC B 2 .   ? 85.278 25.390 21.291 1.00 12.39 ? 125 HEC A C3C 1 
HETATM 948 C  C4C . HEC B 2 .   ? 84.799 25.574 19.935 1.00 11.21 ? 125 HEC A C4C 1 
HETATM 949 C  CMC . HEC B 2 .   ? 84.983 23.559 23.071 1.00 10.87 ? 125 HEC A CMC 1 
HETATM 950 C  CAC . HEC B 2 .   ? 85.933 26.341 22.067 1.00 11.81 ? 125 HEC A CAC 1 
HETATM 951 C  CBC . HEC B 2 .   ? 87.224 26.095 22.693 1.00 14.61 ? 125 HEC A CBC 1 
HETATM 952 N  ND  . HEC B 2 .   ? 83.831 25.954 17.169 1.00 11.95 ? 125 HEC A ND  1 
HETATM 953 C  C1D . HEC B 2 .   ? 84.523 26.914 17.905 1.00 11.61 ? 125 HEC A C1D 1 
HETATM 954 C  C2D . HEC B 2 .   ? 84.813 28.082 17.102 1.00 11.94 ? 125 HEC A C2D 1 
HETATM 955 C  C3D . HEC B 2 .   ? 84.325 27.841 15.865 1.00 11.04 ? 125 HEC A C3D 1 
HETATM 956 C  C4D . HEC B 2 .   ? 83.692 26.537 15.919 1.00 11.24 ? 125 HEC A C4D 1 
HETATM 957 C  CMD . HEC B 2 .   ? 85.566 29.334 17.547 1.00 9.92  ? 125 HEC A CMD 1 
HETATM 958 C  CAD . HEC B 2 .   ? 84.657 28.629 14.607 1.00 12.69 ? 125 HEC A CAD 1 
HETATM 959 C  CBD . HEC B 2 .   ? 85.713 27.911 13.768 1.00 15.01 ? 125 HEC A CBD 1 
HETATM 960 C  CGD . HEC B 2 .   ? 86.494 28.817 12.805 1.00 17.08 ? 125 HEC A CGD 1 
HETATM 961 O  O1D . HEC B 2 .   ? 87.511 28.376 12.290 1.00 17.28 ? 125 HEC A O1D 1 
HETATM 962 O  O2D . HEC B 2 .   ? 85.924 29.778 12.316 1.00 16.67 ? 125 HEC A O2D 1 
HETATM 963 O  O   . HOH C 3 .   ? 75.778 8.948  13.625 1.00 11.32 ? 126 HOH A O   1 
HETATM 964 O  O   . HOH C 3 .   ? 70.266 4.375  13.468 1.00 14.82 ? 127 HOH A O   1 
HETATM 965 O  O   . HOH C 3 .   ? 69.176 7.458  11.994 1.00 23.10 ? 128 HOH A O   1 
HETATM 966 O  O   . HOH C 3 .   ? 75.452 6.030  8.225  1.00 21.56 ? 129 HOH A O   1 
HETATM 967 O  O   . HOH C 3 .   ? 78.656 9.698  25.757 1.00 26.59 ? 130 HOH A O   1 
HETATM 968 O  O   . HOH C 3 .   ? 77.269 26.816 26.012 1.00 15.55 ? 131 HOH A O   1 
HETATM 969 O  O   . HOH C 3 .   ? 77.269 29.505 20.844 1.00 15.20 ? 132 HOH A O   1 
HETATM 970 O  O   . HOH C 3 .   ? 68.513 29.649 15.940 1.00 17.70 ? 133 HOH A O   1 
HETATM 971 O  O   . HOH C 3 .   ? 67.349 30.424 25.572 1.00 23.99 ? 134 HOH A O   1 
HETATM 972 O  O   . HOH C 3 .   ? 75.891 32.228 16.569 1.00 15.85 ? 135 HOH A O   1 
HETATM 973 O  O   . HOH C 3 .   ? 71.784 28.947 11.109 1.00 26.77 ? 136 HOH A O   1 
HETATM 974 O  O   . HOH C 3 .   ? 69.244 22.155 9.421  1.00 25.24 ? 137 HOH A O   1 
HETATM 975 O  O   . HOH C 3 .   ? 77.670 27.692 9.168  1.00 13.49 ? 138 HOH A O   1 
HETATM 976 O  O   . HOH C 3 .   ? 73.421 27.265 4.601  1.00 25.11 ? 139 HOH A O   1 
HETATM 977 O  O   . HOH C 3 .   ? 80.811 30.833 3.133  1.00 43.14 ? 140 HOH A O   1 
HETATM 978 O  O   . HOH C 3 .   ? 88.811 29.347 10.148 1.00 18.03 ? 141 HOH A O   1 
HETATM 979 O  O   . HOH C 3 .   ? 88.147 25.818 13.162 1.00 12.77 ? 142 HOH A O   1 
HETATM 980 O  O   . HOH C 3 .   ? 88.150 28.015 20.053 1.00 18.76 ? 143 HOH A O   1 
HETATM 981 O  O   . HOH C 3 .   ? 79.465 9.202  22.789 1.00 22.39 ? 144 HOH A O   1 
HETATM 982 O  O   . HOH C 3 .   ? 63.115 26.961 15.410 1.00 34.68 ? 145 HOH A O   1 
HETATM 983 O  O   . HOH C 3 .   ? 84.789 33.816 18.738 1.00 29.47 ? 146 HOH A O   1 
HETATM 984 O  O   . HOH C 3 .   ? 70.653 29.114 14.204 1.00 22.73 ? 147 HOH A O   1 
HETATM 985 O  O   . HOH C 3 .   ? 71.832 32.090 9.472  1.00 31.92 ? 148 HOH A O   1 
HETATM 986 O  O   . HOH C 3 .   ? 93.390 21.236 15.197 1.00 28.63 ? 149 HOH A O   1 
# 
