data_8VZ3
# 
_entry.id   8VZ3 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   8VZ3         pdb_00008vz3 10.2210/pdb8vz3/pdb 
WWPDB D_1000281501 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-04-30 
_pdbx_audit_revision_history.part_number         ? 
# 
_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             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8VZ3 
_pdbx_database_status.recvd_initial_deposition_date   2024-02-09 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              noel@salk.edu 
_pdbx_contact_author.name_first         Joseph 
_pdbx_contact_author.name_last          Noel 
_pdbx_contact_author.name_mi            P 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-1277-0331 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Louie, G.V.' 1 0000-0002-8043-4348 
'Noel, J.P.'  2 0000-0002-1277-0331 
'Wang, W.-M.' 3 0009-0000-4279-7247 
'Kelly, J.W.' 4 0000-0001-8943-3395 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To be published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Structure of human PIN1 covalently derivatized with SuFEx compound' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Louie, G.V.' 1 0000-0002-8043-4348 
primary 'Noel, J.P.'  2 0000-0002-1277-0331 
primary 'Wang, W.-M.' 3 0009-0000-4279-7247 
primary 'Kelly, J.W.' 4 0000-0001-8943-3395 
# 
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     man 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1'                      18610.641 1   5.2.1.8 ? ? ? 
2 non-polymer syn '3-(fluorosulfonyl)-5-({[(1S)-2-oxocyclopentyl]methyl}carbamoyl)benzoic acid' 343.327   1   ?       ? ? ? 
3 non-polymer syn 'SULFATE ION'                                                                 96.063    3   ?       ? ? ? 
4 water       nat water                                                                         18.015    180 ?       ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Peptidyl-prolyl cis-trans isomerase Pin1,PPIase Pin1,Rotamase Pin1' 
# 
_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       
;GSHGMADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQE
KITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGI
HIILRTE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSHGMADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQE
KITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGI
HIILRTE
;
_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 '3-(fluorosulfonyl)-5-({[(1S)-2-oxocyclopentyl]methyl}carbamoyl)benzoic acid' A1AEL 
3 'SULFATE ION'                                                                 SO4   
4 water                                                                         HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   SER n 
1 3   HIS n 
1 4   GLY n 
1 5   MET n 
1 6   ALA n 
1 7   ASP n 
1 8   GLU n 
1 9   GLU n 
1 10  LYS n 
1 11  LEU n 
1 12  PRO n 
1 13  PRO n 
1 14  GLY n 
1 15  TRP n 
1 16  GLU n 
1 17  LYS n 
1 18  ARG n 
1 19  MET n 
1 20  SER n 
1 21  ARG n 
1 22  SER n 
1 23  SER n 
1 24  GLY n 
1 25  ARG n 
1 26  VAL n 
1 27  TYR n 
1 28  TYR n 
1 29  PHE n 
1 30  ASN n 
1 31  HIS n 
1 32  ILE n 
1 33  THR n 
1 34  ASN n 
1 35  ALA n 
1 36  SER n 
1 37  GLN n 
1 38  TRP n 
1 39  GLU n 
1 40  ARG n 
1 41  PRO n 
1 42  SER n 
1 43  GLY n 
1 44  ASN n 
1 45  SER n 
1 46  SER n 
1 47  SER n 
1 48  GLY n 
1 49  GLY n 
1 50  LYS n 
1 51  ASN n 
1 52  GLY n 
1 53  GLN n 
1 54  GLY n 
1 55  GLU n 
1 56  PRO n 
1 57  ALA n 
1 58  ARG n 
1 59  VAL n 
1 60  ARG n 
1 61  CYS n 
1 62  SER n 
1 63  HIS n 
1 64  LEU n 
1 65  LEU n 
1 66  VAL n 
1 67  LYS n 
1 68  HIS n 
1 69  SER n 
1 70  GLN n 
1 71  SER n 
1 72  ARG n 
1 73  ARG n 
1 74  PRO n 
1 75  SER n 
1 76  SER n 
1 77  TRP n 
1 78  ARG n 
1 79  GLN n 
1 80  GLU n 
1 81  LYS n 
1 82  ILE n 
1 83  THR n 
1 84  ARG n 
1 85  THR n 
1 86  LYS n 
1 87  GLU n 
1 88  GLU n 
1 89  ALA n 
1 90  LEU n 
1 91  GLU n 
1 92  LEU n 
1 93  ILE n 
1 94  ASN n 
1 95  GLY n 
1 96  TYR n 
1 97  ILE n 
1 98  GLN n 
1 99  LYS n 
1 100 ILE n 
1 101 LYS n 
1 102 SER n 
1 103 GLY n 
1 104 GLU n 
1 105 GLU n 
1 106 ASP n 
1 107 PHE n 
1 108 GLU n 
1 109 SER n 
1 110 LEU n 
1 111 ALA n 
1 112 SER n 
1 113 GLN n 
1 114 PHE n 
1 115 SER n 
1 116 ASP n 
1 117 CYS n 
1 118 SER n 
1 119 SER n 
1 120 ALA n 
1 121 LYS n 
1 122 ALA n 
1 123 ARG n 
1 124 GLY n 
1 125 ASP n 
1 126 LEU n 
1 127 GLY n 
1 128 ALA n 
1 129 PHE n 
1 130 SER n 
1 131 ARG n 
1 132 GLY n 
1 133 GLN n 
1 134 MET n 
1 135 GLN n 
1 136 LYS n 
1 137 PRO n 
1 138 PHE n 
1 139 GLU n 
1 140 ASP n 
1 141 ALA n 
1 142 SER n 
1 143 PHE n 
1 144 ALA n 
1 145 LEU n 
1 146 ARG n 
1 147 THR n 
1 148 GLY n 
1 149 GLU n 
1 150 MET n 
1 151 SER n 
1 152 GLY n 
1 153 PRO n 
1 154 VAL n 
1 155 PHE n 
1 156 THR n 
1 157 ASP n 
1 158 SER n 
1 159 GLY n 
1 160 ILE n 
1 161 HIS n 
1 162 ILE n 
1 163 ILE n 
1 164 LEU n 
1 165 ARG n 
1 166 THR n 
1 167 GLU n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   167 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PIN1 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1AEL non-polymer         . '3-(fluorosulfonyl)-5-({[(1S)-2-oxocyclopentyl]methyl}carbamoyl)benzoic acid' ? 'C14 H14 F N O6 S' 
343.327 
ALA   'L-peptide linking' y ALANINE                                                                       ? 'C3 H7 N O2'       
89.093  
ARG   'L-peptide linking' y ARGININE                                                                      ? 'C6 H15 N4 O2 1'   
175.209 
ASN   'L-peptide linking' y ASPARAGINE                                                                    ? 'C4 H8 N2 O3'      
132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                                                               ? 'C4 H7 N O4'       
133.103 
CYS   'L-peptide linking' y CYSTEINE                                                                      ? 'C3 H7 N O2 S'     
121.158 
GLN   'L-peptide linking' y GLUTAMINE                                                                     ? 'C5 H10 N2 O3'     
146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                                               ? 'C5 H9 N O4'       
147.129 
GLY   'peptide linking'   y GLYCINE                                                                       ? 'C2 H5 N O2'       
75.067  
HIS   'L-peptide linking' y HISTIDINE                                                                     ? 'C6 H10 N3 O2 1'   
156.162 
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 
SO4   non-polymer         . 'SULFATE ION'                                                                 ? 'O4 S -2'          
96.063  
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   GLY 1   -3  ?   ?   ?   A . n 
A 1 2   SER 2   -2  ?   ?   ?   A . n 
A 1 3   HIS 3   -1  ?   ?   ?   A . n 
A 1 4   GLY 4   0   ?   ?   ?   A . n 
A 1 5   MET 5   1   ?   ?   ?   A . n 
A 1 6   ALA 6   2   ?   ?   ?   A . n 
A 1 7   ASP 7   3   ?   ?   ?   A . n 
A 1 8   GLU 8   4   ?   ?   ?   A . n 
A 1 9   GLU 9   5   ?   ?   ?   A . n 
A 1 10  LYS 10  6   ?   ?   ?   A . n 
A 1 11  LEU 11  7   7   LEU LEU A . n 
A 1 12  PRO 12  8   8   PRO PRO A . n 
A 1 13  PRO 13  9   9   PRO PRO A . n 
A 1 14  GLY 14  10  10  GLY GLY A . n 
A 1 15  TRP 15  11  11  TRP TRP A . n 
A 1 16  GLU 16  12  12  GLU GLU A . n 
A 1 17  LYS 17  13  13  LYS LYS A . n 
A 1 18  ARG 18  14  14  ARG ARG A . n 
A 1 19  MET 19  15  15  MET MET A . n 
A 1 20  SER 20  16  16  SER SER A . n 
A 1 21  ARG 21  17  17  ARG ARG A . n 
A 1 22  SER 22  18  18  SER SER A . n 
A 1 23  SER 23  19  19  SER SER A . n 
A 1 24  GLY 24  20  20  GLY GLY A . n 
A 1 25  ARG 25  21  21  ARG ARG A . n 
A 1 26  VAL 26  22  22  VAL VAL A . n 
A 1 27  TYR 27  23  23  TYR TYR A . n 
A 1 28  TYR 28  24  24  TYR TYR A . n 
A 1 29  PHE 29  25  25  PHE PHE A . n 
A 1 30  ASN 30  26  26  ASN ASN A . n 
A 1 31  HIS 31  27  27  HIS HIS A . n 
A 1 32  ILE 32  28  28  ILE ILE A . n 
A 1 33  THR 33  29  29  THR THR A . n 
A 1 34  ASN 34  30  30  ASN ASN A . n 
A 1 35  ALA 35  31  31  ALA ALA A . n 
A 1 36  SER 36  32  32  SER SER A . n 
A 1 37  GLN 37  33  33  GLN GLN A . n 
A 1 38  TRP 38  34  34  TRP TRP A . n 
A 1 39  GLU 39  35  35  GLU GLU A . n 
A 1 40  ARG 40  36  36  ARG ARG A . n 
A 1 41  PRO 41  37  37  PRO PRO A . n 
A 1 42  SER 42  38  38  SER SER A . n 
A 1 43  GLY 43  39  ?   ?   ?   A . n 
A 1 44  ASN 44  40  ?   ?   ?   A . n 
A 1 45  SER 45  41  ?   ?   ?   A . n 
A 1 46  SER 46  42  ?   ?   ?   A . n 
A 1 47  SER 47  43  ?   ?   ?   A . n 
A 1 48  GLY 48  44  ?   ?   ?   A . n 
A 1 49  GLY 49  45  ?   ?   ?   A . n 
A 1 50  LYS 50  46  ?   ?   ?   A . n 
A 1 51  ASN 51  47  ?   ?   ?   A . n 
A 1 52  GLY 52  48  ?   ?   ?   A . n 
A 1 53  GLN 53  49  ?   ?   ?   A . n 
A 1 54  GLY 54  50  ?   ?   ?   A . n 
A 1 55  GLU 55  51  51  GLU GLU A . n 
A 1 56  PRO 56  52  52  PRO PRO A . n 
A 1 57  ALA 57  53  53  ALA ALA A . n 
A 1 58  ARG 58  54  54  ARG ARG A . n 
A 1 59  VAL 59  55  55  VAL VAL A . n 
A 1 60  ARG 60  56  56  ARG ARG A . n 
A 1 61  CYS 61  57  57  CYS CYS A . n 
A 1 62  SER 62  58  58  SER SER A . n 
A 1 63  HIS 63  59  59  HIS HIS A . n 
A 1 64  LEU 64  60  60  LEU LEU A . n 
A 1 65  LEU 65  61  61  LEU LEU A . n 
A 1 66  VAL 66  62  62  VAL VAL A . n 
A 1 67  LYS 67  63  63  LYS LYS A . n 
A 1 68  HIS 68  64  64  HIS HIS A . n 
A 1 69  SER 69  65  65  SER SER A . n 
A 1 70  GLN 70  66  66  GLN GLN A . n 
A 1 71  SER 71  67  67  SER SER A . n 
A 1 72  ARG 72  68  68  ARG ARG A . n 
A 1 73  ARG 73  69  69  ARG ARG A . n 
A 1 74  PRO 74  70  70  PRO PRO A . n 
A 1 75  SER 75  71  71  SER SER A . n 
A 1 76  SER 76  72  72  SER SER A . n 
A 1 77  TRP 77  73  73  TRP TRP A . n 
A 1 78  ARG 78  74  74  ARG ARG A . n 
A 1 79  GLN 79  75  75  GLN GLN A . n 
A 1 80  GLU 80  76  76  GLU GLU A . n 
A 1 81  LYS 81  77  77  LYS LYS A . n 
A 1 82  ILE 82  78  78  ILE ILE A . n 
A 1 83  THR 83  79  79  THR THR A . n 
A 1 84  ARG 84  80  80  ARG ARG A . n 
A 1 85  THR 85  81  81  THR THR A . n 
A 1 86  LYS 86  82  82  LYS LYS A . n 
A 1 87  GLU 87  83  83  GLU GLU A . n 
A 1 88  GLU 88  84  84  GLU GLU A . n 
A 1 89  ALA 89  85  85  ALA ALA A . n 
A 1 90  LEU 90  86  86  LEU LEU A . n 
A 1 91  GLU 91  87  87  GLU GLU A . n 
A 1 92  LEU 92  88  88  LEU LEU A . n 
A 1 93  ILE 93  89  89  ILE ILE A . n 
A 1 94  ASN 94  90  90  ASN ASN A . n 
A 1 95  GLY 95  91  91  GLY GLY A . n 
A 1 96  TYR 96  92  92  TYR TYR A . n 
A 1 97  ILE 97  93  93  ILE ILE A . n 
A 1 98  GLN 98  94  94  GLN GLN A . n 
A 1 99  LYS 99  95  95  LYS LYS A . n 
A 1 100 ILE 100 96  96  ILE ILE A . n 
A 1 101 LYS 101 97  97  LYS LYS A . n 
A 1 102 SER 102 98  98  SER SER A . n 
A 1 103 GLY 103 99  99  GLY GLY A . n 
A 1 104 GLU 104 100 100 GLU GLU A . n 
A 1 105 GLU 105 101 101 GLU GLU A . n 
A 1 106 ASP 106 102 102 ASP ASP A . n 
A 1 107 PHE 107 103 103 PHE PHE A . n 
A 1 108 GLU 108 104 104 GLU GLU A . n 
A 1 109 SER 109 105 105 SER SER A . n 
A 1 110 LEU 110 106 106 LEU LEU A . n 
A 1 111 ALA 111 107 107 ALA ALA A . n 
A 1 112 SER 112 108 108 SER SER A . n 
A 1 113 GLN 113 109 109 GLN GLN A . n 
A 1 114 PHE 114 110 110 PHE PHE A . n 
A 1 115 SER 115 111 111 SER SER A . n 
A 1 116 ASP 116 112 112 ASP ASP A . n 
A 1 117 CYS 117 113 113 CYS CYS A . n 
A 1 118 SER 118 114 114 SER SER A . n 
A 1 119 SER 119 115 115 SER SER A . n 
A 1 120 ALA 120 116 116 ALA ALA A . n 
A 1 121 LYS 121 117 117 LYS LYS A . n 
A 1 122 ALA 122 118 118 ALA ALA A . n 
A 1 123 ARG 123 119 119 ARG ARG A . n 
A 1 124 GLY 124 120 120 GLY GLY A . n 
A 1 125 ASP 125 121 121 ASP ASP A . n 
A 1 126 LEU 126 122 122 LEU LEU A . n 
A 1 127 GLY 127 123 123 GLY GLY A . n 
A 1 128 ALA 128 124 124 ALA ALA A . n 
A 1 129 PHE 129 125 125 PHE PHE A . n 
A 1 130 SER 130 126 126 SER SER A . n 
A 1 131 ARG 131 127 127 ARG ARG A . n 
A 1 132 GLY 132 128 128 GLY GLY A . n 
A 1 133 GLN 133 129 129 GLN GLN A . n 
A 1 134 MET 134 130 130 MET MET A . n 
A 1 135 GLN 135 131 131 GLN GLN A . n 
A 1 136 LYS 136 132 132 LYS LYS A . n 
A 1 137 PRO 137 133 133 PRO PRO A . n 
A 1 138 PHE 138 134 134 PHE PHE A . n 
A 1 139 GLU 139 135 135 GLU GLU A . n 
A 1 140 ASP 140 136 136 ASP ASP A . n 
A 1 141 ALA 141 137 137 ALA ALA A . n 
A 1 142 SER 142 138 138 SER SER A . n 
A 1 143 PHE 143 139 139 PHE PHE A . n 
A 1 144 ALA 144 140 140 ALA ALA A . n 
A 1 145 LEU 145 141 141 LEU LEU A . n 
A 1 146 ARG 146 142 142 ARG ARG A . n 
A 1 147 THR 147 143 143 THR THR A . n 
A 1 148 GLY 148 144 144 GLY GLY A . n 
A 1 149 GLU 149 145 145 GLU GLU A . n 
A 1 150 MET 150 146 146 MET MET A . n 
A 1 151 SER 151 147 147 SER SER A . n 
A 1 152 GLY 152 148 148 GLY GLY A . n 
A 1 153 PRO 153 149 149 PRO PRO A . n 
A 1 154 VAL 154 150 150 VAL VAL A . n 
A 1 155 PHE 155 151 151 PHE PHE A . n 
A 1 156 THR 156 152 152 THR THR A . n 
A 1 157 ASP 157 153 153 ASP ASP A . n 
A 1 158 SER 158 154 154 SER SER A . n 
A 1 159 GLY 159 155 155 GLY GLY A . n 
A 1 160 ILE 160 156 156 ILE ILE A . n 
A 1 161 HIS 161 157 157 HIS HIS A . n 
A 1 162 ILE 162 158 158 ILE ILE A . n 
A 1 163 ILE 163 159 159 ILE ILE A . n 
A 1 164 LEU 164 160 160 LEU LEU A . n 
A 1 165 ARG 165 161 161 ARG ARG A . n 
A 1 166 THR 166 162 162 THR THR A . n 
A 1 167 GLU 167 163 163 GLU GLU A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1AEL 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1AEL 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
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 A1AEL 1   901  901 A1AEL BS1 A . 
C 3 SO4   1   902  1   SO4   SO4 A . 
D 3 SO4   1   903  2   SO4   SO4 A . 
E 3 SO4   1   904  3   SO4   SO4 A . 
F 4 HOH   1   1001 139 HOH   HOH A . 
F 4 HOH   2   1002 166 HOH   HOH A . 
F 4 HOH   3   1003 155 HOH   HOH A . 
F 4 HOH   4   1004 60  HOH   HOH A . 
F 4 HOH   5   1005 68  HOH   HOH A . 
F 4 HOH   6   1006 85  HOH   HOH A . 
F 4 HOH   7   1007 77  HOH   HOH A . 
F 4 HOH   8   1008 65  HOH   HOH A . 
F 4 HOH   9   1009 82  HOH   HOH A . 
F 4 HOH   10  1010 26  HOH   HOH A . 
F 4 HOH   11  1011 146 HOH   HOH A . 
F 4 HOH   12  1012 129 HOH   HOH A . 
F 4 HOH   13  1013 175 HOH   HOH A . 
F 4 HOH   14  1014 158 HOH   HOH A . 
F 4 HOH   15  1015 42  HOH   HOH A . 
F 4 HOH   16  1016 153 HOH   HOH A . 
F 4 HOH   17  1017 1   HOH   HOH A . 
F 4 HOH   18  1018 95  HOH   HOH A . 
F 4 HOH   19  1019 157 HOH   HOH A . 
F 4 HOH   20  1020 110 HOH   HOH A . 
F 4 HOH   21  1021 3   HOH   HOH A . 
F 4 HOH   22  1022 22  HOH   HOH A . 
F 4 HOH   23  1023 61  HOH   HOH A . 
F 4 HOH   24  1024 21  HOH   HOH A . 
F 4 HOH   25  1025 23  HOH   HOH A . 
F 4 HOH   26  1026 34  HOH   HOH A . 
F 4 HOH   27  1027 141 HOH   HOH A . 
F 4 HOH   28  1028 83  HOH   HOH A . 
F 4 HOH   29  1029 145 HOH   HOH A . 
F 4 HOH   30  1030 112 HOH   HOH A . 
F 4 HOH   31  1031 138 HOH   HOH A . 
F 4 HOH   32  1032 31  HOH   HOH A . 
F 4 HOH   33  1033 4   HOH   HOH A . 
F 4 HOH   34  1034 97  HOH   HOH A . 
F 4 HOH   35  1035 125 HOH   HOH A . 
F 4 HOH   36  1036 51  HOH   HOH A . 
F 4 HOH   37  1037 20  HOH   HOH A . 
F 4 HOH   38  1038 37  HOH   HOH A . 
F 4 HOH   39  1039 24  HOH   HOH A . 
F 4 HOH   40  1040 70  HOH   HOH A . 
F 4 HOH   41  1041 149 HOH   HOH A . 
F 4 HOH   42  1042 80  HOH   HOH A . 
F 4 HOH   43  1043 119 HOH   HOH A . 
F 4 HOH   44  1044 17  HOH   HOH A . 
F 4 HOH   45  1045 39  HOH   HOH A . 
F 4 HOH   46  1046 89  HOH   HOH A . 
F 4 HOH   47  1047 7   HOH   HOH A . 
F 4 HOH   48  1048 40  HOH   HOH A . 
F 4 HOH   49  1049 32  HOH   HOH A . 
F 4 HOH   50  1050 86  HOH   HOH A . 
F 4 HOH   51  1051 52  HOH   HOH A . 
F 4 HOH   52  1052 12  HOH   HOH A . 
F 4 HOH   53  1053 27  HOH   HOH A . 
F 4 HOH   54  1054 16  HOH   HOH A . 
F 4 HOH   55  1055 109 HOH   HOH A . 
F 4 HOH   56  1056 6   HOH   HOH A . 
F 4 HOH   57  1057 10  HOH   HOH A . 
F 4 HOH   58  1058 72  HOH   HOH A . 
F 4 HOH   59  1059 81  HOH   HOH A . 
F 4 HOH   60  1060 15  HOH   HOH A . 
F 4 HOH   61  1061 41  HOH   HOH A . 
F 4 HOH   62  1062 69  HOH   HOH A . 
F 4 HOH   63  1063 64  HOH   HOH A . 
F 4 HOH   64  1064 159 HOH   HOH A . 
F 4 HOH   65  1065 58  HOH   HOH A . 
F 4 HOH   66  1066 106 HOH   HOH A . 
F 4 HOH   67  1067 25  HOH   HOH A . 
F 4 HOH   68  1068 111 HOH   HOH A . 
F 4 HOH   69  1069 79  HOH   HOH A . 
F 4 HOH   70  1070 78  HOH   HOH A . 
F 4 HOH   71  1071 137 HOH   HOH A . 
F 4 HOH   72  1072 173 HOH   HOH A . 
F 4 HOH   73  1073 113 HOH   HOH A . 
F 4 HOH   74  1074 30  HOH   HOH A . 
F 4 HOH   75  1075 33  HOH   HOH A . 
F 4 HOH   76  1076 116 HOH   HOH A . 
F 4 HOH   77  1077 62  HOH   HOH A . 
F 4 HOH   78  1078 11  HOH   HOH A . 
F 4 HOH   79  1079 117 HOH   HOH A . 
F 4 HOH   80  1080 29  HOH   HOH A . 
F 4 HOH   81  1081 45  HOH   HOH A . 
F 4 HOH   82  1082 28  HOH   HOH A . 
F 4 HOH   83  1083 108 HOH   HOH A . 
F 4 HOH   84  1084 74  HOH   HOH A . 
F 4 HOH   85  1085 50  HOH   HOH A . 
F 4 HOH   86  1086 5   HOH   HOH A . 
F 4 HOH   87  1087 103 HOH   HOH A . 
F 4 HOH   88  1088 14  HOH   HOH A . 
F 4 HOH   89  1089 132 HOH   HOH A . 
F 4 HOH   90  1090 71  HOH   HOH A . 
F 4 HOH   91  1091 168 HOH   HOH A . 
F 4 HOH   92  1092 47  HOH   HOH A . 
F 4 HOH   93  1093 49  HOH   HOH A . 
F 4 HOH   94  1094 2   HOH   HOH A . 
F 4 HOH   95  1095 122 HOH   HOH A . 
F 4 HOH   96  1096 38  HOH   HOH A . 
F 4 HOH   97  1097 162 HOH   HOH A . 
F 4 HOH   98  1098 66  HOH   HOH A . 
F 4 HOH   99  1099 165 HOH   HOH A . 
F 4 HOH   100 1100 19  HOH   HOH A . 
F 4 HOH   101 1101 84  HOH   HOH A . 
F 4 HOH   102 1102 91  HOH   HOH A . 
F 4 HOH   103 1103 8   HOH   HOH A . 
F 4 HOH   104 1104 73  HOH   HOH A . 
F 4 HOH   105 1105 180 HOH   HOH A . 
F 4 HOH   106 1106 13  HOH   HOH A . 
F 4 HOH   107 1107 88  HOH   HOH A . 
F 4 HOH   108 1108 18  HOH   HOH A . 
F 4 HOH   109 1109 54  HOH   HOH A . 
F 4 HOH   110 1110 59  HOH   HOH A . 
F 4 HOH   111 1111 118 HOH   HOH A . 
F 4 HOH   112 1112 161 HOH   HOH A . 
F 4 HOH   113 1113 127 HOH   HOH A . 
F 4 HOH   114 1114 90  HOH   HOH A . 
F 4 HOH   115 1115 36  HOH   HOH A . 
F 4 HOH   116 1116 56  HOH   HOH A . 
F 4 HOH   117 1117 164 HOH   HOH A . 
F 4 HOH   118 1118 140 HOH   HOH A . 
F 4 HOH   119 1119 93  HOH   HOH A . 
F 4 HOH   120 1120 94  HOH   HOH A . 
F 4 HOH   121 1121 154 HOH   HOH A . 
F 4 HOH   122 1122 156 HOH   HOH A . 
F 4 HOH   123 1123 152 HOH   HOH A . 
F 4 HOH   124 1124 150 HOH   HOH A . 
F 4 HOH   125 1125 92  HOH   HOH A . 
F 4 HOH   126 1126 170 HOH   HOH A . 
F 4 HOH   127 1127 174 HOH   HOH A . 
F 4 HOH   128 1128 105 HOH   HOH A . 
F 4 HOH   129 1129 142 HOH   HOH A . 
F 4 HOH   130 1130 121 HOH   HOH A . 
F 4 HOH   131 1131 177 HOH   HOH A . 
F 4 HOH   132 1132 171 HOH   HOH A . 
F 4 HOH   133 1133 46  HOH   HOH A . 
F 4 HOH   134 1134 130 HOH   HOH A . 
F 4 HOH   135 1135 44  HOH   HOH A . 
F 4 HOH   136 1136 43  HOH   HOH A . 
F 4 HOH   137 1137 53  HOH   HOH A . 
F 4 HOH   138 1138 100 HOH   HOH A . 
F 4 HOH   139 1139 143 HOH   HOH A . 
F 4 HOH   140 1140 151 HOH   HOH A . 
F 4 HOH   141 1141 123 HOH   HOH A . 
F 4 HOH   142 1142 102 HOH   HOH A . 
F 4 HOH   143 1143 101 HOH   HOH A . 
F 4 HOH   144 1144 76  HOH   HOH A . 
F 4 HOH   145 1145 63  HOH   HOH A . 
F 4 HOH   146 1146 87  HOH   HOH A . 
F 4 HOH   147 1147 176 HOH   HOH A . 
F 4 HOH   148 1148 136 HOH   HOH A . 
F 4 HOH   149 1149 107 HOH   HOH A . 
F 4 HOH   150 1150 98  HOH   HOH A . 
F 4 HOH   151 1151 144 HOH   HOH A . 
F 4 HOH   152 1152 167 HOH   HOH A . 
F 4 HOH   153 1153 135 HOH   HOH A . 
F 4 HOH   154 1154 57  HOH   HOH A . 
F 4 HOH   155 1155 67  HOH   HOH A . 
F 4 HOH   156 1156 148 HOH   HOH A . 
F 4 HOH   157 1157 9   HOH   HOH A . 
F 4 HOH   158 1158 179 HOH   HOH A . 
F 4 HOH   159 1159 96  HOH   HOH A . 
F 4 HOH   160 1160 55  HOH   HOH A . 
F 4 HOH   161 1161 126 HOH   HOH A . 
F 4 HOH   162 1162 48  HOH   HOH A . 
F 4 HOH   163 1163 104 HOH   HOH A . 
F 4 HOH   164 1164 99  HOH   HOH A . 
F 4 HOH   165 1165 134 HOH   HOH A . 
F 4 HOH   166 1166 75  HOH   HOH A . 
F 4 HOH   167 1167 169 HOH   HOH A . 
F 4 HOH   168 1168 124 HOH   HOH A . 
F 4 HOH   169 1169 114 HOH   HOH A . 
F 4 HOH   170 1170 35  HOH   HOH A . 
F 4 HOH   171 1171 115 HOH   HOH A . 
F 4 HOH   172 1172 128 HOH   HOH A . 
F 4 HOH   173 1173 120 HOH   HOH A . 
F 4 HOH   174 1174 147 HOH   HOH A . 
F 4 HOH   175 1175 131 HOH   HOH A . 
F 4 HOH   176 1176 133 HOH   HOH A . 
F 4 HOH   177 1177 178 HOH   HOH A . 
F 4 HOH   178 1178 163 HOH   HOH A . 
F 4 HOH   179 1179 160 HOH   HOH A . 
F 4 HOH   180 1180 172 HOH   HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? '(1.20.1_4487: ???)' 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                    2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? iMOSFLM ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8VZ3 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     68.881 
_cell.length_a_esd                 ? 
_cell.length_b                     68.881 
_cell.length_b_esd                 ? 
_cell.length_c                     79.663 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8VZ3 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                152 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 31 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8VZ3 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.93 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          58.04 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '2.0 M ammonium sulfate, 0.1 M sodium HEPES, 1% v/v polyethylene glycol 400' 
_exptl_crystal_grow.pdbx_pH_range   7.0-7.5 
_exptl_crystal_grow.temp            277 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-05-20 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    'Single-crystal Si(220)' 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97648 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ALS BEAMLINE 5.0.3' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.97648 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   5.0.3 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8VZ3 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.65 
_reflns.d_resolution_low                               47.75 
_reflns.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.number_all                                     ? 
_reflns.number_obs                                     26821 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                16.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          21.6 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.53 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.080 
_reflns.pdbx_Rpim_I_all                                0.019 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       448311 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.000 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.078 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.65 
_reflns_shell.d_res_low                                     1.68 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           9246 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1302 
_reflns_shell.percent_possible_obs                          100.0 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               7.1 
_reflns_shell.pdbx_chi_squared                              0.23 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     0.8 
_reflns_shell.pdbx_Rrim_I_all                               1.364 
_reflns_shell.pdbx_Rpim_I_all                               0.509 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.643 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.264 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8VZ3 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.65 
_refine.ls_d_res_low                             47.75 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     26769 
_refine.ls_number_reflns_R_free                  1279 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.91 
_refine.ls_percent_reflns_R_free                 4.78 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2080 
_refine.ls_R_factor_R_free                       0.2205 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2073 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.36 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 25.45 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.21 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.65 
_refine_hist.d_res_low                        47.75 
_refine_hist.number_atoms_solvent             180 
_refine_hist.number_atoms_total               1379 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1162 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         37 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.006  ? 1229 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.838  ? 1654 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 13.620 ? 477  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.054  ? 165  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.008  ? 216  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.65 1.72  . . 151 2794 100.00 . . . . 0.3447 . . . . . . . . . . . 0.3878 
'X-RAY DIFFRACTION' 1.72 1.79  . . 140 2763 100.00 . . . . 0.2735 . . . . . . . . . . . 0.2888 
'X-RAY DIFFRACTION' 1.79 1.89  . . 140 2800 100.00 . . . . 0.2513 . . . . . . . . . . . 0.2787 
'X-RAY DIFFRACTION' 1.89 2.01  . . 121 2810 100.00 . . . . 0.2661 . . . . . . . . . . . 0.2658 
'X-RAY DIFFRACTION' 2.01 2.16  . . 132 2827 100.00 . . . . 0.2281 . . . . . . . . . . . 0.2236 
'X-RAY DIFFRACTION' 2.16 2.38  . . 163 2802 100.00 . . . . 0.2230 . . . . . . . . . . . 0.2560 
'X-RAY DIFFRACTION' 2.38 2.72  . . 118 2866 100.00 . . . . 0.2130 . . . . . . . . . . . 0.1917 
'X-RAY DIFFRACTION' 2.72 3.43  . . 163 2850 100.00 . . . . 0.1913 . . . . . . . . . . . 0.2105 
'X-RAY DIFFRACTION' 3.43 47.75 . . 151 2978 100.00 . . . . 0.1683 . . . . . . . . . . . 0.1849 
# 
_struct.entry_id                     8VZ3 
_struct.title                        'Structure of human PIN1 covalently derivatized with SuFEx compound' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        8VZ3 
_struct_keywords.text            'Covalently labeled, ISOMERASE' 
_struct_keywords.pdbx_keywords   ISOMERASE 
# 
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 ? 
D N N 3 ? 
E N N 3 ? 
F N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    PIN1_HUMAN 
_struct_ref.pdbx_db_accession          Q13526 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITR
TKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIIL
RTE
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8VZ3 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 5 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 167 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q13526 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  163 
_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       163 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8VZ3 GLY A 1 ? UNP Q13526 ? ? 'expression tag' -3 1 
1 8VZ3 SER A 2 ? UNP Q13526 ? ? 'expression tag' -2 2 
1 8VZ3 HIS A 3 ? UNP Q13526 ? ? 'expression tag' -1 3 
1 8VZ3 GLY A 4 ? UNP Q13526 ? ? 'expression tag' 0  4 
# 
_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,D,E,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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 
# 
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 AA1 THR A 85  ? SER A 102 ? THR A 81  SER A 98  1 ? 18 
HELX_P HELX_P2 AA2 ASP A 106 ? SER A 115 ? ASP A 102 SER A 111 1 ? 10 
HELX_P HELX_P3 AA3 CYS A 117 ? ARG A 123 ? CYS A 113 ARG A 119 5 ? 7  
HELX_P HELX_P4 AA4 GLN A 135 ? LEU A 145 ? GLN A 131 LEU A 141 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            covale1 
_struct_conn.conn_type_id                  covale 
_struct_conn.pdbx_leaving_atom_flag        one 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           A 
_struct_conn.ptnr1_label_comp_id           TYR 
_struct_conn.ptnr1_label_seq_id            27 
_struct_conn.ptnr1_label_atom_id           OH 
_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                1_555 
_struct_conn.ptnr2_label_asym_id           B 
_struct_conn.ptnr2_label_comp_id           A1AEL 
_struct_conn.ptnr2_label_seq_id            . 
_struct_conn.ptnr2_label_atom_id           S8 
_struct_conn.pdbx_ptnr2_label_alt_id       ? 
_struct_conn.pdbx_ptnr2_PDB_ins_code       ? 
_struct_conn.ptnr1_auth_asym_id            A 
_struct_conn.ptnr1_auth_comp_id            TYR 
_struct_conn.ptnr1_auth_seq_id             23 
_struct_conn.ptnr2_auth_asym_id            A 
_struct_conn.ptnr2_auth_comp_id            A1AEL 
_struct_conn.ptnr2_auth_seq_id             901 
_struct_conn.ptnr2_symmetry                1_555 
_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               1.625 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      A1AEL 
_pdbx_modification_feature.label_asym_id                      B 
_pdbx_modification_feature.label_seq_id                       . 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     TYR 
_pdbx_modification_feature.modified_residue_label_asym_id     A 
_pdbx_modification_feature.modified_residue_label_seq_id      27 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       A1AEL 
_pdbx_modification_feature.auth_asym_id                       A 
_pdbx_modification_feature.auth_seq_id                        901 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      TYR 
_pdbx_modification_feature.modified_residue_auth_asym_id      A 
_pdbx_modification_feature.modified_residue_auth_seq_id       23 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          1_555 
_pdbx_modification_feature.comp_id_linking_atom               S8 
_pdbx_modification_feature.modified_residue_id_linking_atom   OH 
_pdbx_modification_feature.modified_residue_id                TYR 
_pdbx_modification_feature.ref_pcm_id                         1 
_pdbx_modification_feature.ref_comp_id                        A1AEL 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Covalent chemical modification' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 4 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? 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 
AA1 1 TRP A 15  ? MET A 19  ? TRP A 11  MET A 15  
AA1 2 VAL A 26  ? ASN A 30  ? VAL A 22  ASN A 26  
AA1 3 SER A 36  ? GLN A 37  ? SER A 32  GLN A 33  
AA2 1 ASP A 125 ? SER A 130 ? ASP A 121 SER A 126 
AA2 2 ARG A 58  ? VAL A 66  ? ARG A 54  VAL A 62  
AA2 3 GLY A 159 ? ARG A 165 ? GLY A 155 ARG A 161 
AA2 4 VAL A 154 ? THR A 156 ? VAL A 150 THR A 152 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ARG A 18  ? N ARG A 14  O TYR A 27  ? O TYR A 23  
AA1 2 3 N TYR A 28  ? N TYR A 24  O GLN A 37  ? O GLN A 33  
AA2 1 2 O LEU A 126 ? O LEU A 122 N CYS A 61  ? N CYS A 57  
AA2 2 3 N VAL A 66  ? N VAL A 62  O ILE A 160 ? O ILE A 156 
AA2 3 4 O HIS A 161 ? O HIS A 157 N VAL A 154 ? N VAL A 150 
# 
_pdbx_entry_details.entry_id                   8VZ3 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1  1 O   A HOH 1071 ? ? O A HOH 1164 ? ? 1.82 
2  1 O   A HOH 1099 ? ? O A HOH 1151 ? ? 1.92 
3  1 O   A HOH 1001 ? ? O A HOH 1122 ? ? 1.96 
4  1 OE1 A GLU 35   ? B O A HOH 1001 ? ? 2.00 
5  1 O   A HOH 1130 ? ? O A HOH 1166 ? ? 2.04 
6  1 O   A HOH 1139 ? ? O A HOH 1176 ? ? 2.05 
7  1 O2  A SO4 903  ? ? O A HOH 1002 ? ? 2.07 
8  1 O   A HOH 1020 ? ? O A HOH 1129 ? ? 2.14 
9  1 O   A HOH 1118 ? ? O A HOH 1149 ? ? 2.18 
10 1 O   A HOH 1030 ? ? O A HOH 1112 ? ? 2.19 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 1059 ? ? 1_555 O A HOH 1149 ? ? 5_665 2.07 
2 1 O A HOH 1116 ? ? 1_555 O A HOH 1159 ? ? 5_555 2.16 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    PRO 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     8 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -53.84 
_pdbx_validate_torsion.psi             -177.52 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       1180 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.23 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY -3 ? A GLY 1  
2  1 Y 1 A SER -2 ? A SER 2  
3  1 Y 1 A HIS -1 ? A HIS 3  
4  1 Y 1 A GLY 0  ? A GLY 4  
5  1 Y 1 A MET 1  ? A MET 5  
6  1 Y 1 A ALA 2  ? A ALA 6  
7  1 Y 1 A ASP 3  ? A ASP 7  
8  1 Y 1 A GLU 4  ? A GLU 8  
9  1 Y 1 A GLU 5  ? A GLU 9  
10 1 Y 1 A LYS 6  ? A LYS 10 
11 1 Y 1 A GLY 39 ? A GLY 43 
12 1 Y 1 A ASN 40 ? A ASN 44 
13 1 Y 1 A SER 41 ? A SER 45 
14 1 Y 1 A SER 42 ? A SER 46 
15 1 Y 1 A SER 43 ? A SER 47 
16 1 Y 1 A GLY 44 ? A GLY 48 
17 1 Y 1 A GLY 45 ? A GLY 49 
18 1 Y 1 A LYS 46 ? A LYS 50 
19 1 Y 1 A ASN 47 ? A ASN 51 
20 1 Y 1 A GLY 48 ? A GLY 52 
21 1 Y 1 A GLN 49 ? A GLN 53 
22 1 Y 1 A GLY 50 ? A GLY 54 
# 
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 
A1AEL C16  C N N 1   
A1AEL C3   C Y N 2   
A1AEL C2   C Y N 3   
A1AEL C6   C Y N 4   
A1AEL C7   C Y N 5   
A1AEL C1   C N N 6   
A1AEL C5   C Y N 7   
A1AEL C19  C N N 8   
A1AEL C21  C N N 9   
A1AEL C14  C N N 10  
A1AEL C22  C N N 11  
A1AEL C18  C N S 12  
A1AEL C4   C Y N 13  
A1AEL C20  C N N 14  
A1AEL N15  N N N 15  
A1AEL O10  O N N 16  
A1AEL O12  O N N 17  
A1AEL O13  O N N 18  
A1AEL O17  O N N 19  
A1AEL O23  O N N 20  
A1AEL O9   O N N 21  
A1AEL S8   S N N 22  
A1AEL H161 H N N 23  
A1AEL H16  H N N 24  
A1AEL H3   H N N 25  
A1AEL H7   H N N 26  
A1AEL H5   H N N 27  
A1AEL H19  H N N 28  
A1AEL H191 H N N 29  
A1AEL H21  H N N 30  
A1AEL H211 H N N 31  
A1AEL H18  H N N 32  
A1AEL H201 H N N 33  
A1AEL H20  H N N 34  
A1AEL HN15 H N N 35  
A1AEL H2   H N N 36  
A1AEL F1   F N N 37  
ALA   N    N N N 38  
ALA   CA   C N S 39  
ALA   C    C N N 40  
ALA   O    O N N 41  
ALA   CB   C N N 42  
ALA   OXT  O N N 43  
ALA   H    H N N 44  
ALA   H2   H N N 45  
ALA   HA   H N N 46  
ALA   HB1  H N N 47  
ALA   HB2  H N N 48  
ALA   HB3  H N N 49  
ALA   HXT  H N N 50  
ARG   N    N N N 51  
ARG   CA   C N S 52  
ARG   C    C N N 53  
ARG   O    O N N 54  
ARG   CB   C N N 55  
ARG   CG   C N N 56  
ARG   CD   C N N 57  
ARG   NE   N N N 58  
ARG   CZ   C N N 59  
ARG   NH1  N N N 60  
ARG   NH2  N N N 61  
ARG   OXT  O N N 62  
ARG   H    H N N 63  
ARG   H2   H N N 64  
ARG   HA   H N N 65  
ARG   HB2  H N N 66  
ARG   HB3  H N N 67  
ARG   HG2  H N N 68  
ARG   HG3  H N N 69  
ARG   HD2  H N N 70  
ARG   HD3  H N N 71  
ARG   HE   H N N 72  
ARG   HH11 H N N 73  
ARG   HH12 H N N 74  
ARG   HH21 H N N 75  
ARG   HH22 H N N 76  
ARG   HXT  H N N 77  
ASN   N    N N N 78  
ASN   CA   C N S 79  
ASN   C    C N N 80  
ASN   O    O N N 81  
ASN   CB   C N N 82  
ASN   CG   C N N 83  
ASN   OD1  O N N 84  
ASN   ND2  N N N 85  
ASN   OXT  O N N 86  
ASN   H    H N N 87  
ASN   H2   H N N 88  
ASN   HA   H N N 89  
ASN   HB2  H N N 90  
ASN   HB3  H N N 91  
ASN   HD21 H N N 92  
ASN   HD22 H N N 93  
ASN   HXT  H N N 94  
ASP   N    N N N 95  
ASP   CA   C N S 96  
ASP   C    C N N 97  
ASP   O    O N N 98  
ASP   CB   C N N 99  
ASP   CG   C N N 100 
ASP   OD1  O N N 101 
ASP   OD2  O N N 102 
ASP   OXT  O N N 103 
ASP   H    H N N 104 
ASP   H2   H N N 105 
ASP   HA   H N N 106 
ASP   HB2  H N N 107 
ASP   HB3  H N N 108 
ASP   HD2  H N N 109 
ASP   HXT  H N N 110 
CYS   N    N N N 111 
CYS   CA   C N R 112 
CYS   C    C N N 113 
CYS   O    O N N 114 
CYS   CB   C N N 115 
CYS   SG   S N N 116 
CYS   OXT  O N N 117 
CYS   H    H N N 118 
CYS   H2   H N N 119 
CYS   HA   H N N 120 
CYS   HB2  H N N 121 
CYS   HB3  H N N 122 
CYS   HG   H N N 123 
CYS   HXT  H N N 124 
GLN   N    N N N 125 
GLN   CA   C N S 126 
GLN   C    C N N 127 
GLN   O    O N N 128 
GLN   CB   C N N 129 
GLN   CG   C N N 130 
GLN   CD   C N N 131 
GLN   OE1  O N N 132 
GLN   NE2  N N N 133 
GLN   OXT  O N N 134 
GLN   H    H N N 135 
GLN   H2   H N N 136 
GLN   HA   H N N 137 
GLN   HB2  H N N 138 
GLN   HB3  H N N 139 
GLN   HG2  H N N 140 
GLN   HG3  H N N 141 
GLN   HE21 H N N 142 
GLN   HE22 H N N 143 
GLN   HXT  H N N 144 
GLU   N    N N N 145 
GLU   CA   C N S 146 
GLU   C    C N N 147 
GLU   O    O N N 148 
GLU   CB   C N N 149 
GLU   CG   C N N 150 
GLU   CD   C N N 151 
GLU   OE1  O N N 152 
GLU   OE2  O N N 153 
GLU   OXT  O N N 154 
GLU   H    H N N 155 
GLU   H2   H N N 156 
GLU   HA   H N N 157 
GLU   HB2  H N N 158 
GLU   HB3  H N N 159 
GLU   HG2  H N N 160 
GLU   HG3  H N N 161 
GLU   HE2  H N N 162 
GLU   HXT  H N N 163 
GLY   N    N N N 164 
GLY   CA   C N N 165 
GLY   C    C N N 166 
GLY   O    O N N 167 
GLY   OXT  O N N 168 
GLY   H    H N N 169 
GLY   H2   H N N 170 
GLY   HA2  H N N 171 
GLY   HA3  H N N 172 
GLY   HXT  H N N 173 
HIS   N    N N N 174 
HIS   CA   C N S 175 
HIS   C    C N N 176 
HIS   O    O N N 177 
HIS   CB   C N N 178 
HIS   CG   C Y N 179 
HIS   ND1  N Y N 180 
HIS   CD2  C Y N 181 
HIS   CE1  C Y N 182 
HIS   NE2  N Y N 183 
HIS   OXT  O N N 184 
HIS   H    H N N 185 
HIS   H2   H N N 186 
HIS   HA   H N N 187 
HIS   HB2  H N N 188 
HIS   HB3  H N N 189 
HIS   HD1  H N N 190 
HIS   HD2  H N N 191 
HIS   HE1  H N N 192 
HIS   HE2  H N N 193 
HIS   HXT  H N N 194 
HOH   O    O N N 195 
HOH   H1   H N N 196 
HOH   H2   H N N 197 
ILE   N    N N N 198 
ILE   CA   C N S 199 
ILE   C    C N N 200 
ILE   O    O N N 201 
ILE   CB   C N S 202 
ILE   CG1  C N N 203 
ILE   CG2  C N N 204 
ILE   CD1  C N N 205 
ILE   OXT  O N N 206 
ILE   H    H N N 207 
ILE   H2   H N N 208 
ILE   HA   H N N 209 
ILE   HB   H N N 210 
ILE   HG12 H N N 211 
ILE   HG13 H N N 212 
ILE   HG21 H N N 213 
ILE   HG22 H N N 214 
ILE   HG23 H N N 215 
ILE   HD11 H N N 216 
ILE   HD12 H N N 217 
ILE   HD13 H N N 218 
ILE   HXT  H N N 219 
LEU   N    N N N 220 
LEU   CA   C N S 221 
LEU   C    C N N 222 
LEU   O    O N N 223 
LEU   CB   C N N 224 
LEU   CG   C N N 225 
LEU   CD1  C N N 226 
LEU   CD2  C N N 227 
LEU   OXT  O N N 228 
LEU   H    H N N 229 
LEU   H2   H N N 230 
LEU   HA   H N N 231 
LEU   HB2  H N N 232 
LEU   HB3  H N N 233 
LEU   HG   H N N 234 
LEU   HD11 H N N 235 
LEU   HD12 H N N 236 
LEU   HD13 H N N 237 
LEU   HD21 H N N 238 
LEU   HD22 H N N 239 
LEU   HD23 H N N 240 
LEU   HXT  H N N 241 
LYS   N    N N N 242 
LYS   CA   C N S 243 
LYS   C    C N N 244 
LYS   O    O N N 245 
LYS   CB   C N N 246 
LYS   CG   C N N 247 
LYS   CD   C N N 248 
LYS   CE   C N N 249 
LYS   NZ   N N N 250 
LYS   OXT  O N N 251 
LYS   H    H N N 252 
LYS   H2   H N N 253 
LYS   HA   H N N 254 
LYS   HB2  H N N 255 
LYS   HB3  H N N 256 
LYS   HG2  H N N 257 
LYS   HG3  H N N 258 
LYS   HD2  H N N 259 
LYS   HD3  H N N 260 
LYS   HE2  H N N 261 
LYS   HE3  H N N 262 
LYS   HZ1  H N N 263 
LYS   HZ2  H N N 264 
LYS   HZ3  H N N 265 
LYS   HXT  H N N 266 
MET   N    N N N 267 
MET   CA   C N S 268 
MET   C    C N N 269 
MET   O    O N N 270 
MET   CB   C N N 271 
MET   CG   C N N 272 
MET   SD   S N N 273 
MET   CE   C N N 274 
MET   OXT  O N N 275 
MET   H    H N N 276 
MET   H2   H N N 277 
MET   HA   H N N 278 
MET   HB2  H N N 279 
MET   HB3  H N N 280 
MET   HG2  H N N 281 
MET   HG3  H N N 282 
MET   HE1  H N N 283 
MET   HE2  H N N 284 
MET   HE3  H N N 285 
MET   HXT  H N N 286 
PHE   N    N N N 287 
PHE   CA   C N S 288 
PHE   C    C N N 289 
PHE   O    O N N 290 
PHE   CB   C N N 291 
PHE   CG   C Y N 292 
PHE   CD1  C Y N 293 
PHE   CD2  C Y N 294 
PHE   CE1  C Y N 295 
PHE   CE2  C Y N 296 
PHE   CZ   C Y N 297 
PHE   OXT  O N N 298 
PHE   H    H N N 299 
PHE   H2   H N N 300 
PHE   HA   H N N 301 
PHE   HB2  H N N 302 
PHE   HB3  H N N 303 
PHE   HD1  H N N 304 
PHE   HD2  H N N 305 
PHE   HE1  H N N 306 
PHE   HE2  H N N 307 
PHE   HZ   H N N 308 
PHE   HXT  H N N 309 
PRO   N    N N N 310 
PRO   CA   C N S 311 
PRO   C    C N N 312 
PRO   O    O N N 313 
PRO   CB   C N N 314 
PRO   CG   C N N 315 
PRO   CD   C N N 316 
PRO   OXT  O N N 317 
PRO   H    H N N 318 
PRO   HA   H N N 319 
PRO   HB2  H N N 320 
PRO   HB3  H N N 321 
PRO   HG2  H N N 322 
PRO   HG3  H N N 323 
PRO   HD2  H N N 324 
PRO   HD3  H N N 325 
PRO   HXT  H N N 326 
SER   N    N N N 327 
SER   CA   C N S 328 
SER   C    C N N 329 
SER   O    O N N 330 
SER   CB   C N N 331 
SER   OG   O N N 332 
SER   OXT  O N N 333 
SER   H    H N N 334 
SER   H2   H N N 335 
SER   HA   H N N 336 
SER   HB2  H N N 337 
SER   HB3  H N N 338 
SER   HG   H N N 339 
SER   HXT  H N N 340 
SO4   S    S N N 341 
SO4   O1   O N N 342 
SO4   O2   O N N 343 
SO4   O3   O N N 344 
SO4   O4   O N N 345 
THR   N    N N N 346 
THR   CA   C N S 347 
THR   C    C N N 348 
THR   O    O N N 349 
THR   CB   C N R 350 
THR   OG1  O N N 351 
THR   CG2  C N N 352 
THR   OXT  O N N 353 
THR   H    H N N 354 
THR   H2   H N N 355 
THR   HA   H N N 356 
THR   HB   H N N 357 
THR   HG1  H N N 358 
THR   HG21 H N N 359 
THR   HG22 H N N 360 
THR   HG23 H N N 361 
THR   HXT  H N N 362 
TRP   N    N N N 363 
TRP   CA   C N S 364 
TRP   C    C N N 365 
TRP   O    O N N 366 
TRP   CB   C N N 367 
TRP   CG   C Y N 368 
TRP   CD1  C Y N 369 
TRP   CD2  C Y N 370 
TRP   NE1  N Y N 371 
TRP   CE2  C Y N 372 
TRP   CE3  C Y N 373 
TRP   CZ2  C Y N 374 
TRP   CZ3  C Y N 375 
TRP   CH2  C Y N 376 
TRP   OXT  O N N 377 
TRP   H    H N N 378 
TRP   H2   H N N 379 
TRP   HA   H N N 380 
TRP   HB2  H N N 381 
TRP   HB3  H N N 382 
TRP   HD1  H N N 383 
TRP   HE1  H N N 384 
TRP   HE3  H N N 385 
TRP   HZ2  H N N 386 
TRP   HZ3  H N N 387 
TRP   HH2  H N N 388 
TRP   HXT  H N N 389 
TYR   N    N N N 390 
TYR   CA   C N S 391 
TYR   C    C N N 392 
TYR   O    O N N 393 
TYR   CB   C N N 394 
TYR   CG   C Y N 395 
TYR   CD1  C Y N 396 
TYR   CD2  C Y N 397 
TYR   CE1  C Y N 398 
TYR   CE2  C Y N 399 
TYR   CZ   C Y N 400 
TYR   OH   O N N 401 
TYR   OXT  O N N 402 
TYR   H    H N N 403 
TYR   H2   H N N 404 
TYR   HA   H N N 405 
TYR   HB2  H N N 406 
TYR   HB3  H N N 407 
TYR   HD1  H N N 408 
TYR   HD2  H N N 409 
TYR   HE1  H N N 410 
TYR   HE2  H N N 411 
TYR   HH   H N N 412 
TYR   HXT  H N N 413 
VAL   N    N N N 414 
VAL   CA   C N S 415 
VAL   C    C N N 416 
VAL   O    O N N 417 
VAL   CB   C N N 418 
VAL   CG1  C N N 419 
VAL   CG2  C N N 420 
VAL   OXT  O N N 421 
VAL   H    H N N 422 
VAL   H2   H N N 423 
VAL   HA   H N N 424 
VAL   HB   H N N 425 
VAL   HG11 H N N 426 
VAL   HG12 H N N 427 
VAL   HG13 H N N 428 
VAL   HG21 H N N 429 
VAL   HG22 H N N 430 
VAL   HG23 H N N 431 
VAL   HXT  H N N 432 
# 
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 
A1AEL O23 C22  doub N N 1   
A1AEL C22 C21  sing N N 2   
A1AEL C22 C18  sing N N 3   
A1AEL C21 C20  sing N N 4   
A1AEL C18 C16  sing N N 5   
A1AEL C18 C19  sing N N 6   
A1AEL C20 C19  sing N N 7   
A1AEL O17 C14  doub N N 8   
A1AEL C16 N15  sing N N 9   
A1AEL C14 N15  sing N N 10  
A1AEL C14 C6   sing N N 11  
A1AEL O12 C1   doub N N 12  
A1AEL C7  C6   doub Y N 13  
A1AEL C7  C2   sing Y N 14  
A1AEL C6  C5   sing Y N 15  
A1AEL C1  C2   sing N N 16  
A1AEL C1  O13  sing N N 17  
A1AEL C2  C3   doub Y N 18  
A1AEL C5  C4   doub Y N 19  
A1AEL C3  C4   sing Y N 20  
A1AEL C4  S8   sing N N 21  
A1AEL S8  O10  doub N N 22  
A1AEL S8  O9   doub N N 23  
A1AEL C16 H161 sing N N 24  
A1AEL C16 H16  sing N N 25  
A1AEL C3  H3   sing N N 26  
A1AEL C7  H7   sing N N 27  
A1AEL C5  H5   sing N N 28  
A1AEL C19 H19  sing N N 29  
A1AEL C19 H191 sing N N 30  
A1AEL C21 H21  sing N N 31  
A1AEL C21 H211 sing N N 32  
A1AEL C18 H18  sing N N 33  
A1AEL C20 H201 sing N N 34  
A1AEL C20 H20  sing N N 35  
A1AEL N15 HN15 sing N N 36  
A1AEL O13 H2   sing N N 37  
A1AEL S8  F1   sing N N 38  
ALA   N   CA   sing N N 39  
ALA   N   H    sing N N 40  
ALA   N   H2   sing N N 41  
ALA   CA  C    sing N N 42  
ALA   CA  CB   sing N N 43  
ALA   CA  HA   sing N N 44  
ALA   C   O    doub N N 45  
ALA   C   OXT  sing N N 46  
ALA   CB  HB1  sing N N 47  
ALA   CB  HB2  sing N N 48  
ALA   CB  HB3  sing N N 49  
ALA   OXT HXT  sing N N 50  
ARG   N   CA   sing N N 51  
ARG   N   H    sing N N 52  
ARG   N   H2   sing N N 53  
ARG   CA  C    sing N N 54  
ARG   CA  CB   sing N N 55  
ARG   CA  HA   sing N N 56  
ARG   C   O    doub N N 57  
ARG   C   OXT  sing N N 58  
ARG   CB  CG   sing N N 59  
ARG   CB  HB2  sing N N 60  
ARG   CB  HB3  sing N N 61  
ARG   CG  CD   sing N N 62  
ARG   CG  HG2  sing N N 63  
ARG   CG  HG3  sing N N 64  
ARG   CD  NE   sing N N 65  
ARG   CD  HD2  sing N N 66  
ARG   CD  HD3  sing N N 67  
ARG   NE  CZ   sing N N 68  
ARG   NE  HE   sing N N 69  
ARG   CZ  NH1  sing N N 70  
ARG   CZ  NH2  doub N N 71  
ARG   NH1 HH11 sing N N 72  
ARG   NH1 HH12 sing N N 73  
ARG   NH2 HH21 sing N N 74  
ARG   NH2 HH22 sing N N 75  
ARG   OXT HXT  sing N N 76  
ASN   N   CA   sing N N 77  
ASN   N   H    sing N N 78  
ASN   N   H2   sing N N 79  
ASN   CA  C    sing N N 80  
ASN   CA  CB   sing N N 81  
ASN   CA  HA   sing N N 82  
ASN   C   O    doub N N 83  
ASN   C   OXT  sing N N 84  
ASN   CB  CG   sing N N 85  
ASN   CB  HB2  sing N N 86  
ASN   CB  HB3  sing N N 87  
ASN   CG  OD1  doub N N 88  
ASN   CG  ND2  sing N N 89  
ASN   ND2 HD21 sing N N 90  
ASN   ND2 HD22 sing N N 91  
ASN   OXT HXT  sing N N 92  
ASP   N   CA   sing N N 93  
ASP   N   H    sing N N 94  
ASP   N   H2   sing N N 95  
ASP   CA  C    sing N N 96  
ASP   CA  CB   sing N N 97  
ASP   CA  HA   sing N N 98  
ASP   C   O    doub N N 99  
ASP   C   OXT  sing N N 100 
ASP   CB  CG   sing N N 101 
ASP   CB  HB2  sing N N 102 
ASP   CB  HB3  sing N N 103 
ASP   CG  OD1  doub N N 104 
ASP   CG  OD2  sing N N 105 
ASP   OD2 HD2  sing N N 106 
ASP   OXT HXT  sing N N 107 
CYS   N   CA   sing N N 108 
CYS   N   H    sing N N 109 
CYS   N   H2   sing N N 110 
CYS   CA  C    sing N N 111 
CYS   CA  CB   sing N N 112 
CYS   CA  HA   sing N N 113 
CYS   C   O    doub N N 114 
CYS   C   OXT  sing N N 115 
CYS   CB  SG   sing N N 116 
CYS   CB  HB2  sing N N 117 
CYS   CB  HB3  sing N N 118 
CYS   SG  HG   sing N N 119 
CYS   OXT HXT  sing N N 120 
GLN   N   CA   sing N N 121 
GLN   N   H    sing N N 122 
GLN   N   H2   sing N N 123 
GLN   CA  C    sing N N 124 
GLN   CA  CB   sing N N 125 
GLN   CA  HA   sing N N 126 
GLN   C   O    doub N N 127 
GLN   C   OXT  sing N N 128 
GLN   CB  CG   sing N N 129 
GLN   CB  HB2  sing N N 130 
GLN   CB  HB3  sing N N 131 
GLN   CG  CD   sing N N 132 
GLN   CG  HG2  sing N N 133 
GLN   CG  HG3  sing N N 134 
GLN   CD  OE1  doub N N 135 
GLN   CD  NE2  sing N N 136 
GLN   NE2 HE21 sing N N 137 
GLN   NE2 HE22 sing N N 138 
GLN   OXT HXT  sing N N 139 
GLU   N   CA   sing N N 140 
GLU   N   H    sing N N 141 
GLU   N   H2   sing N N 142 
GLU   CA  C    sing N N 143 
GLU   CA  CB   sing N N 144 
GLU   CA  HA   sing N N 145 
GLU   C   O    doub N N 146 
GLU   C   OXT  sing N N 147 
GLU   CB  CG   sing N N 148 
GLU   CB  HB2  sing N N 149 
GLU   CB  HB3  sing N N 150 
GLU   CG  CD   sing N N 151 
GLU   CG  HG2  sing N N 152 
GLU   CG  HG3  sing N N 153 
GLU   CD  OE1  doub N N 154 
GLU   CD  OE2  sing N N 155 
GLU   OE2 HE2  sing N N 156 
GLU   OXT HXT  sing N N 157 
GLY   N   CA   sing N N 158 
GLY   N   H    sing N N 159 
GLY   N   H2   sing N N 160 
GLY   CA  C    sing N N 161 
GLY   CA  HA2  sing N N 162 
GLY   CA  HA3  sing N N 163 
GLY   C   O    doub N N 164 
GLY   C   OXT  sing N N 165 
GLY   OXT HXT  sing N N 166 
HIS   N   CA   sing N N 167 
HIS   N   H    sing N N 168 
HIS   N   H2   sing N N 169 
HIS   CA  C    sing N N 170 
HIS   CA  CB   sing N N 171 
HIS   CA  HA   sing N N 172 
HIS   C   O    doub N N 173 
HIS   C   OXT  sing N N 174 
HIS   CB  CG   sing N N 175 
HIS   CB  HB2  sing N N 176 
HIS   CB  HB3  sing N N 177 
HIS   CG  ND1  sing Y N 178 
HIS   CG  CD2  doub Y N 179 
HIS   ND1 CE1  doub Y N 180 
HIS   ND1 HD1  sing N N 181 
HIS   CD2 NE2  sing Y N 182 
HIS   CD2 HD2  sing N N 183 
HIS   CE1 NE2  sing Y N 184 
HIS   CE1 HE1  sing N N 185 
HIS   NE2 HE2  sing N N 186 
HIS   OXT HXT  sing N N 187 
HOH   O   H1   sing N N 188 
HOH   O   H2   sing N N 189 
ILE   N   CA   sing N N 190 
ILE   N   H    sing N N 191 
ILE   N   H2   sing N N 192 
ILE   CA  C    sing N N 193 
ILE   CA  CB   sing N N 194 
ILE   CA  HA   sing N N 195 
ILE   C   O    doub N N 196 
ILE   C   OXT  sing N N 197 
ILE   CB  CG1  sing N N 198 
ILE   CB  CG2  sing N N 199 
ILE   CB  HB   sing N N 200 
ILE   CG1 CD1  sing N N 201 
ILE   CG1 HG12 sing N N 202 
ILE   CG1 HG13 sing N N 203 
ILE   CG2 HG21 sing N N 204 
ILE   CG2 HG22 sing N N 205 
ILE   CG2 HG23 sing N N 206 
ILE   CD1 HD11 sing N N 207 
ILE   CD1 HD12 sing N N 208 
ILE   CD1 HD13 sing N N 209 
ILE   OXT HXT  sing N N 210 
LEU   N   CA   sing N N 211 
LEU   N   H    sing N N 212 
LEU   N   H2   sing N N 213 
LEU   CA  C    sing N N 214 
LEU   CA  CB   sing N N 215 
LEU   CA  HA   sing N N 216 
LEU   C   O    doub N N 217 
LEU   C   OXT  sing N N 218 
LEU   CB  CG   sing N N 219 
LEU   CB  HB2  sing N N 220 
LEU   CB  HB3  sing N N 221 
LEU   CG  CD1  sing N N 222 
LEU   CG  CD2  sing N N 223 
LEU   CG  HG   sing N N 224 
LEU   CD1 HD11 sing N N 225 
LEU   CD1 HD12 sing N N 226 
LEU   CD1 HD13 sing N N 227 
LEU   CD2 HD21 sing N N 228 
LEU   CD2 HD22 sing N N 229 
LEU   CD2 HD23 sing N N 230 
LEU   OXT HXT  sing N N 231 
LYS   N   CA   sing N N 232 
LYS   N   H    sing N N 233 
LYS   N   H2   sing N N 234 
LYS   CA  C    sing N N 235 
LYS   CA  CB   sing N N 236 
LYS   CA  HA   sing N N 237 
LYS   C   O    doub N N 238 
LYS   C   OXT  sing N N 239 
LYS   CB  CG   sing N N 240 
LYS   CB  HB2  sing N N 241 
LYS   CB  HB3  sing N N 242 
LYS   CG  CD   sing N N 243 
LYS   CG  HG2  sing N N 244 
LYS   CG  HG3  sing N N 245 
LYS   CD  CE   sing N N 246 
LYS   CD  HD2  sing N N 247 
LYS   CD  HD3  sing N N 248 
LYS   CE  NZ   sing N N 249 
LYS   CE  HE2  sing N N 250 
LYS   CE  HE3  sing N N 251 
LYS   NZ  HZ1  sing N N 252 
LYS   NZ  HZ2  sing N N 253 
LYS   NZ  HZ3  sing N N 254 
LYS   OXT HXT  sing N N 255 
MET   N   CA   sing N N 256 
MET   N   H    sing N N 257 
MET   N   H2   sing N N 258 
MET   CA  C    sing N N 259 
MET   CA  CB   sing N N 260 
MET   CA  HA   sing N N 261 
MET   C   O    doub N N 262 
MET   C   OXT  sing N N 263 
MET   CB  CG   sing N N 264 
MET   CB  HB2  sing N N 265 
MET   CB  HB3  sing N N 266 
MET   CG  SD   sing N N 267 
MET   CG  HG2  sing N N 268 
MET   CG  HG3  sing N N 269 
MET   SD  CE   sing N N 270 
MET   CE  HE1  sing N N 271 
MET   CE  HE2  sing N N 272 
MET   CE  HE3  sing N N 273 
MET   OXT HXT  sing N N 274 
PHE   N   CA   sing N N 275 
PHE   N   H    sing N N 276 
PHE   N   H2   sing N N 277 
PHE   CA  C    sing N N 278 
PHE   CA  CB   sing N N 279 
PHE   CA  HA   sing N N 280 
PHE   C   O    doub N N 281 
PHE   C   OXT  sing N N 282 
PHE   CB  CG   sing N N 283 
PHE   CB  HB2  sing N N 284 
PHE   CB  HB3  sing N N 285 
PHE   CG  CD1  doub Y N 286 
PHE   CG  CD2  sing Y N 287 
PHE   CD1 CE1  sing Y N 288 
PHE   CD1 HD1  sing N N 289 
PHE   CD2 CE2  doub Y N 290 
PHE   CD2 HD2  sing N N 291 
PHE   CE1 CZ   doub Y N 292 
PHE   CE1 HE1  sing N N 293 
PHE   CE2 CZ   sing Y N 294 
PHE   CE2 HE2  sing N N 295 
PHE   CZ  HZ   sing N N 296 
PHE   OXT HXT  sing N N 297 
PRO   N   CA   sing N N 298 
PRO   N   CD   sing N N 299 
PRO   N   H    sing N N 300 
PRO   CA  C    sing N N 301 
PRO   CA  CB   sing N N 302 
PRO   CA  HA   sing N N 303 
PRO   C   O    doub N N 304 
PRO   C   OXT  sing N N 305 
PRO   CB  CG   sing N N 306 
PRO   CB  HB2  sing N N 307 
PRO   CB  HB3  sing N N 308 
PRO   CG  CD   sing N N 309 
PRO   CG  HG2  sing N N 310 
PRO   CG  HG3  sing N N 311 
PRO   CD  HD2  sing N N 312 
PRO   CD  HD3  sing N N 313 
PRO   OXT HXT  sing N N 314 
SER   N   CA   sing N N 315 
SER   N   H    sing N N 316 
SER   N   H2   sing N N 317 
SER   CA  C    sing N N 318 
SER   CA  CB   sing N N 319 
SER   CA  HA   sing N N 320 
SER   C   O    doub N N 321 
SER   C   OXT  sing N N 322 
SER   CB  OG   sing N N 323 
SER   CB  HB2  sing N N 324 
SER   CB  HB3  sing N N 325 
SER   OG  HG   sing N N 326 
SER   OXT HXT  sing N N 327 
SO4   S   O1   doub N N 328 
SO4   S   O2   doub N N 329 
SO4   S   O3   sing N N 330 
SO4   S   O4   sing N N 331 
THR   N   CA   sing N N 332 
THR   N   H    sing N N 333 
THR   N   H2   sing N N 334 
THR   CA  C    sing N N 335 
THR   CA  CB   sing N N 336 
THR   CA  HA   sing N N 337 
THR   C   O    doub N N 338 
THR   C   OXT  sing N N 339 
THR   CB  OG1  sing N N 340 
THR   CB  CG2  sing N N 341 
THR   CB  HB   sing N N 342 
THR   OG1 HG1  sing N N 343 
THR   CG2 HG21 sing N N 344 
THR   CG2 HG22 sing N N 345 
THR   CG2 HG23 sing N N 346 
THR   OXT HXT  sing N N 347 
TRP   N   CA   sing N N 348 
TRP   N   H    sing N N 349 
TRP   N   H2   sing N N 350 
TRP   CA  C    sing N N 351 
TRP   CA  CB   sing N N 352 
TRP   CA  HA   sing N N 353 
TRP   C   O    doub N N 354 
TRP   C   OXT  sing N N 355 
TRP   CB  CG   sing N N 356 
TRP   CB  HB2  sing N N 357 
TRP   CB  HB3  sing N N 358 
TRP   CG  CD1  doub Y N 359 
TRP   CG  CD2  sing Y N 360 
TRP   CD1 NE1  sing Y N 361 
TRP   CD1 HD1  sing N N 362 
TRP   CD2 CE2  doub Y N 363 
TRP   CD2 CE3  sing Y N 364 
TRP   NE1 CE2  sing Y N 365 
TRP   NE1 HE1  sing N N 366 
TRP   CE2 CZ2  sing Y N 367 
TRP   CE3 CZ3  doub Y N 368 
TRP   CE3 HE3  sing N N 369 
TRP   CZ2 CH2  doub Y N 370 
TRP   CZ2 HZ2  sing N N 371 
TRP   CZ3 CH2  sing Y N 372 
TRP   CZ3 HZ3  sing N N 373 
TRP   CH2 HH2  sing N N 374 
TRP   OXT HXT  sing N N 375 
TYR   N   CA   sing N N 376 
TYR   N   H    sing N N 377 
TYR   N   H2   sing N N 378 
TYR   CA  C    sing N N 379 
TYR   CA  CB   sing N N 380 
TYR   CA  HA   sing N N 381 
TYR   C   O    doub N N 382 
TYR   C   OXT  sing N N 383 
TYR   CB  CG   sing N N 384 
TYR   CB  HB2  sing N N 385 
TYR   CB  HB3  sing N N 386 
TYR   CG  CD1  doub Y N 387 
TYR   CG  CD2  sing Y N 388 
TYR   CD1 CE1  sing Y N 389 
TYR   CD1 HD1  sing N N 390 
TYR   CD2 CE2  doub Y N 391 
TYR   CD2 HD2  sing N N 392 
TYR   CE1 CZ   doub Y N 393 
TYR   CE1 HE1  sing N N 394 
TYR   CE2 CZ   sing Y N 395 
TYR   CE2 HE2  sing N N 396 
TYR   CZ  OH   sing N N 397 
TYR   OH  HH   sing N N 398 
TYR   OXT HXT  sing N N 399 
VAL   N   CA   sing N N 400 
VAL   N   H    sing N N 401 
VAL   N   H2   sing N N 402 
VAL   CA  C    sing N N 403 
VAL   CA  CB   sing N N 404 
VAL   CA  HA   sing N N 405 
VAL   C   O    doub N N 406 
VAL   C   OXT  sing N N 407 
VAL   CB  CG1  sing N N 408 
VAL   CB  CG2  sing N N 409 
VAL   CB  HB   sing N N 410 
VAL   CG1 HG11 sing N N 411 
VAL   CG1 HG12 sing N N 412 
VAL   CG1 HG13 sing N N 413 
VAL   CG2 HG21 sing N N 414 
VAL   CG2 HG22 sing N N 415 
VAL   CG2 HG23 sing N N 416 
VAL   OXT HXT  sing N N 417 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   A 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2ITK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8VZ3 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.014518 
_atom_sites.fract_transf_matrix[1][2]   0.008382 
_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]   0.016764 
_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]   0.012553 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
H 
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    . LEU   A 1 11  ? 53.447 3.837  37.130 1.00 49.00 ? 7    LEU   A N    1 
ATOM   2    C CA   . LEU   A 1 11  ? 52.292 4.178  36.307 1.00 46.82 ? 7    LEU   A CA   1 
ATOM   3    C C    . LEU   A 1 11  ? 52.487 5.530  35.631 1.00 45.08 ? 7    LEU   A C    1 
ATOM   4    O O    . LEU   A 1 11  ? 53.021 6.457  36.231 1.00 52.11 ? 7    LEU   A O    1 
ATOM   5    C CB   . LEU   A 1 11  ? 51.011 4.183  37.154 1.00 44.38 ? 7    LEU   A CB   1 
ATOM   6    C CG   . LEU   A 1 11  ? 50.567 2.828  37.718 1.00 45.35 ? 7    LEU   A CG   1 
ATOM   7    C CD1  . LEU   A 1 11  ? 49.345 2.963  38.623 1.00 37.83 ? 7    LEU   A CD1  1 
ATOM   8    C CD2  . LEU   A 1 11  ? 50.292 1.853  36.583 1.00 43.44 ? 7    LEU   A CD2  1 
ATOM   9    N N    . PRO   A 1 12  ? 52.055 5.640  34.381 1.00 45.26 ? 8    PRO   A N    1 
ATOM   10   C CA   . PRO   A 1 12  ? 52.181 6.906  33.650 1.00 46.72 ? 8    PRO   A CA   1 
ATOM   11   C C    . PRO   A 1 12  ? 51.561 8.056  34.426 1.00 47.90 ? 8    PRO   A C    1 
ATOM   12   O O    . PRO   A 1 12  ? 51.074 7.869  35.552 1.00 47.25 ? 8    PRO   A O    1 
ATOM   13   C CB   . PRO   A 1 12  ? 51.419 6.637  32.345 1.00 46.52 ? 8    PRO   A CB   1 
ATOM   14   C CG   . PRO   A 1 12  ? 51.500 5.160  32.172 1.00 46.22 ? 8    PRO   A CG   1 
ATOM   15   C CD   . PRO   A 1 12  ? 51.481 4.568  33.549 1.00 46.05 ? 8    PRO   A CD   1 
ATOM   16   N N    . PRO   A 1 13  ? 51.559 9.262  33.855 1.00 48.51 ? 9    PRO   A N    1 
ATOM   17   C CA   . PRO   A 1 13  ? 51.081 10.437 34.603 1.00 45.31 ? 9    PRO   A CA   1 
ATOM   18   C C    . PRO   A 1 13  ? 49.602 10.325 34.932 1.00 39.56 ? 9    PRO   A C    1 
ATOM   19   O O    . PRO   A 1 13  ? 48.756 10.202 34.039 1.00 40.97 ? 9    PRO   A O    1 
ATOM   20   C CB   . PRO   A 1 13  ? 51.353 11.607 33.643 1.00 47.38 ? 9    PRO   A CB   1 
ATOM   21   C CG   . PRO   A 1 13  ? 52.322 11.082 32.628 1.00 49.76 ? 9    PRO   A CG   1 
ATOM   22   C CD   . PRO   A 1 13  ? 52.014 9.620  32.500 1.00 48.29 ? 9    PRO   A CD   1 
ATOM   23   N N    . GLY   A 1 14  ? 49.293 10.385 36.226 1.00 36.92 ? 10   GLY   A N    1 
ATOM   24   C CA   . GLY   A 1 14  ? 47.933 10.574 36.680 1.00 32.06 ? 10   GLY   A CA   1 
ATOM   25   C C    . GLY   A 1 14  ? 47.166 9.312  36.994 1.00 28.36 ? 10   GLY   A C    1 
ATOM   26   O O    . GLY   A 1 14  ? 46.000 9.401  37.399 1.00 27.30 ? 10   GLY   A O    1 
ATOM   27   N N    . TRP   A 1 15  ? 47.779 8.148  36.839 1.00 31.15 ? 11   TRP   A N    1 
ATOM   28   C CA   . TRP   A 1 15  ? 47.085 6.884  37.013 1.00 29.28 ? 11   TRP   A CA   1 
ATOM   29   C C    . TRP   A 1 15  ? 47.217 6.390  38.439 1.00 31.63 ? 11   TRP   A C    1 
ATOM   30   O O    . TRP   A 1 15  ? 48.262 6.551  39.080 1.00 33.66 ? 11   TRP   A O    1 
ATOM   31   C CB   . TRP   A 1 15  ? 47.632 5.834  36.049 1.00 32.84 ? 11   TRP   A CB   1 
ATOM   32   C CG   . TRP   A 1 15  ? 47.191 6.040  34.657 1.00 29.99 ? 11   TRP   A CG   1 
ATOM   33   C CD1  . TRP   A 1 15  ? 47.932 6.532  33.628 1.00 32.18 ? 11   TRP   A CD1  1 
ATOM   34   C CD2  . TRP   A 1 15  ? 45.900 5.755  34.123 1.00 27.17 ? 11   TRP   A CD2  1 
ATOM   35   N NE1  . TRP   A 1 15  ? 47.183 6.577  32.484 1.00 31.59 ? 11   TRP   A NE1  1 
ATOM   36   C CE2  . TRP   A 1 15  ? 45.929 6.098  32.758 1.00 29.53 ? 11   TRP   A CE2  1 
ATOM   37   C CE3  . TRP   A 1 15  ? 44.717 5.242  34.667 1.00 24.01 ? 11   TRP   A CE3  1 
ATOM   38   C CZ2  . TRP   A 1 15  ? 44.824 5.943  31.926 1.00 25.10 ? 11   TRP   A CZ2  1 
ATOM   39   C CZ3  . TRP   A 1 15  ? 43.624 5.088  33.847 1.00 19.59 ? 11   TRP   A CZ3  1 
ATOM   40   C CH2  . TRP   A 1 15  ? 43.680 5.436  32.485 1.00 24.82 ? 11   TRP   A CH2  1 
ATOM   41   N N    . GLU   A 1 16  ? 46.146 5.793  38.939 1.00 24.74 ? 12   GLU   A N    1 
ATOM   42   C CA   . GLU   A 1 16  ? 46.187 5.153  40.239 1.00 28.87 ? 12   GLU   A CA   1 
ATOM   43   C C    . GLU   A 1 16  ? 45.517 3.793  40.129 1.00 30.03 ? 12   GLU   A C    1 
ATOM   44   O O    . GLU   A 1 16  ? 44.636 3.576  39.289 1.00 25.96 ? 12   GLU   A O    1 
ATOM   45   C CB   . GLU   A 1 16  ? 45.531 6.022  41.323 1.00 32.12 ? 12   GLU   A CB   1 
ATOM   46   C CG   . GLU   A 1 16  ? 44.114 6.423  41.044 1.00 32.56 ? 12   GLU   A CG   1 
ATOM   47   C CD   . GLU   A 1 16  ? 43.654 7.582  41.905 1.00 33.38 ? 12   GLU   A CD   1 
ATOM   48   O OE1  . GLU   A 1 16  ? 44.203 8.702  41.765 1.00 34.66 ? 12   GLU   A OE1  1 
ATOM   49   O OE2  . GLU   A 1 16  ? 42.736 7.376  42.722 1.00 34.63 ? 12   GLU   A OE2  1 
ATOM   50   N N    . LYS   A 1 17  ? 45.981 2.862  40.951 1.00 30.97 ? 13   LYS   A N    1 
ATOM   51   C CA   . LYS   A 1 17  ? 45.373 1.545  41.029 1.00 30.87 ? 13   LYS   A CA   1 
ATOM   52   C C    . LYS   A 1 17  ? 44.228 1.604  42.031 1.00 30.17 ? 13   LYS   A C    1 
ATOM   53   O O    . LYS   A 1 17  ? 44.384 2.125  43.142 1.00 30.71 ? 13   LYS   A O    1 
ATOM   54   C CB   . LYS   A 1 17  ? 46.405 0.482  41.424 1.00 32.35 ? 13   LYS   A CB   1 
ATOM   55   C CG   . LYS   A 1 17  ? 45.802 -0.909 41.631 1.00 33.82 ? 13   LYS   A CG   1 
ATOM   56   C CD   . LYS   A 1 17  ? 46.828 -1.925 42.142 1.00 42.09 ? 13   LYS   A CD   1 
ATOM   57   C CE   . LYS   A 1 17  ? 47.765 -2.385 41.039 1.00 48.42 ? 13   LYS   A CE   1 
ATOM   58   N NZ   . LYS   A 1 17  ? 48.847 -3.267 41.569 1.00 58.56 ? 13   LYS   A NZ   1 
ATOM   59   N N    . ARG   A 1 18  ? 43.078 1.075  41.630 1.00 24.99 ? 14   ARG   A N    1 
ATOM   60   C CA   . ARG   A 1 18  ? 41.850 1.156  42.399 1.00 28.49 ? 14   ARG   A CA   1 
ATOM   61   C C    . ARG   A 1 18  ? 41.215 -0.223 42.475 1.00 26.59 ? 14   ARG   A C    1 
ATOM   62   O O    . ARG   A 1 18  ? 41.589 -1.147 41.752 1.00 28.04 ? 14   ARG   A O    1 
ATOM   63   C CB   . ARG   A 1 18  ? 40.859 2.146  41.777 1.00 32.25 ? 14   ARG   A CB   1 
ATOM   64   C CG   . ARG   A 1 18  ? 41.274 3.597  41.831 1.00 31.02 ? 14   ARG   A CG   1 
ATOM   65   C CD   . ARG   A 1 18  ? 40.907 4.205  43.156 1.00 35.28 ? 14   ARG   A CD   1 
ATOM   66   N NE   . ARG   A 1 18  ? 40.903 5.657  43.067 1.00 35.74 ? 14   ARG   A NE   1 
ATOM   67   C CZ   . ARG   A 1 18  ? 39.823 6.391  42.840 1.00 33.33 ? 14   ARG   A CZ   1 
ATOM   68   N NH1  . ARG   A 1 18  ? 38.631 5.839  42.679 1.00 32.62 ? 14   ARG   A NH1  1 
ATOM   69   N NH2  . ARG   A 1 18  ? 39.940 7.714  42.793 1.00 32.48 ? 14   ARG   A NH2  1 
ATOM   70   N N    . MET   A 1 19  ? 40.228 -0.340 43.356 1.00 30.11 ? 15   MET   A N    1 
ATOM   71   C CA   . MET   A 1 19  ? 39.514 -1.585 43.610 1.00 31.38 ? 15   MET   A CA   1 
ATOM   72   C C    . MET   A 1 19  ? 38.075 -1.437 43.142 1.00 31.25 ? 15   MET   A C    1 
ATOM   73   O O    . MET   A 1 19  ? 37.366 -0.536 43.599 1.00 31.89 ? 15   MET   A O    1 
ATOM   74   C CB   . MET   A 1 19  ? 39.544 -1.924 45.101 1.00 34.40 ? 15   MET   A CB   1 
ATOM   75   C CG   . MET   A 1 19  ? 38.747 -3.157 45.454 1.00 40.50 ? 15   MET   A CG   1 
ATOM   76   S SD   . MET   A 1 19  ? 39.540 -4.570 44.693 1.00 45.62 ? 15   MET   A SD   1 
ATOM   77   C CE   . MET   A 1 19  ? 41.052 -4.638 45.664 1.00 39.51 ? 15   MET   A CE   1 
ATOM   78   N N    . SER   A 1 20  ? 37.638 -2.321 42.248 1.00 31.01 ? 16   SER   A N    1 
ATOM   79   C CA   . SER   A 1 20  ? 36.241 -2.295 41.838 1.00 31.61 ? 16   SER   A CA   1 
ATOM   80   C C    . SER   A 1 20  ? 35.347 -2.700 42.998 1.00 33.45 ? 16   SER   A C    1 
ATOM   81   O O    . SER   A 1 20  ? 35.542 -3.756 43.604 1.00 31.02 ? 16   SER   A O    1 
ATOM   82   C CB   . SER   A 1 20  ? 35.983 -3.228 40.662 1.00 30.21 ? 16   SER   A CB   1 
ATOM   83   O OG   . SER   A 1 20  ? 34.581 -3.400 40.525 1.00 32.85 ? 16   SER   A OG   1 
ATOM   84   N N    . ARG   A 1 21  ? 34.353 -1.864 43.290 1.00 32.55 ? 17   ARG   A N    1 
ATOM   85   C CA   . ARG   A 1 21  ? 33.486 -2.110 44.431 1.00 37.80 ? 17   ARG   A CA   1 
ATOM   86   C C    . ARG   A 1 21  ? 32.583 -3.311 44.187 1.00 35.09 ? 17   ARG   A C    1 
ATOM   87   O O    . ARG   A 1 21  ? 32.281 -4.070 45.115 1.00 37.54 ? 17   ARG   A O    1 
ATOM   88   C CB   . ARG   A 1 21  ? 32.661 -0.856 44.719 1.00 38.85 ? 17   ARG   A CB   1 
ATOM   89   C CG   . ARG   A 1 21  ? 31.804 -0.932 45.963 1.00 40.45 ? 17   ARG   A CG   1 
ATOM   90   C CD   . ARG   A 1 21  ? 31.444 0.468  46.430 1.00 41.53 ? 17   ARG   A CD   1 
ATOM   91   N NE   . ARG   A 1 21  ? 32.613 1.340  46.387 1.00 43.62 ? 17   ARG   A NE   1 
ATOM   92   C CZ   . ARG   A 1 21  ? 32.717 2.498  47.026 1.00 39.71 ? 17   ARG   A CZ   1 
ATOM   93   N NH1  . ARG   A 1 21  ? 31.740 2.957  47.789 1.00 39.45 ? 17   ARG   A NH1  1 
ATOM   94   N NH2  . ARG   A 1 21  ? 33.834 3.210  46.896 1.00 37.02 ? 17   ARG   A NH2  1 
ATOM   95   N N    . SER   A 1 22  ? 32.136 -3.498 42.950 1.00 32.80 ? 18   SER   A N    1 
ATOM   96   C CA   . SER   A 1 22  ? 31.147 -4.538 42.696 1.00 33.75 ? 18   SER   A CA   1 
ATOM   97   C C    . SER   A 1 22  ? 31.793 -5.900 42.465 1.00 36.49 ? 18   SER   A C    1 
ATOM   98   O O    . SER   A 1 22  ? 31.232 -6.926 42.869 1.00 37.71 ? 18   SER   A O    1 
ATOM   99   C CB   . SER   A 1 22  ? 30.267 -4.140 41.506 1.00 38.00 ? 18   SER   A CB   1 
ATOM   100  O OG   . SER   A 1 22  ? 31.066 -3.602 40.471 1.00 39.24 ? 18   SER   A OG   1 
ATOM   101  N N    . SER   A 1 23  ? 32.967 -5.940 41.837 1.00 32.07 ? 19   SER   A N    1 
ATOM   102  C CA   . SER   A 1 23  ? 33.607 -7.209 41.517 1.00 30.61 ? 19   SER   A CA   1 
ATOM   103  C C    . SER   A 1 23  ? 34.832 -7.514 42.363 1.00 28.91 ? 19   SER   A C    1 
ATOM   104  O O    . SER   A 1 23  ? 35.259 -8.671 42.406 1.00 25.75 ? 19   SER   A O    1 
ATOM   105  C CB   . SER   A 1 23  ? 34.017 -7.241 40.038 1.00 31.18 ? 19   SER   A CB   1 
ATOM   106  O OG   . SER   A 1 23  ? 35.163 -6.440 39.815 1.00 32.46 ? 19   SER   A OG   1 
ATOM   107  N N    . GLY   A 1 24  ? 35.397 -6.525 43.052 1.00 27.19 ? 20   GLY   A N    1 
ATOM   108  C CA   . GLY   A 1 24  ? 36.655 -6.776 43.726 1.00 31.56 ? 20   GLY   A CA   1 
ATOM   109  C C    . GLY   A 1 24  ? 37.855 -6.918 42.817 1.00 31.75 ? 20   GLY   A C    1 
ATOM   110  O O    . GLY   A 1 24  ? 38.947 -7.248 43.293 1.00 29.94 ? 20   GLY   A O    1 
ATOM   111  N N    . ARG   A 1 25  ? 37.693 -6.707 41.516 1.00 27.39 ? 21   ARG   A N    1 
ATOM   112  C CA   . ARG   A 1 25  ? 38.815 -6.741 40.600 1.00 25.23 ? 21   ARG   A CA   1 
ATOM   113  C C    . ARG   A 1 25  ? 39.460 -5.358 40.558 1.00 26.22 ? 21   ARG   A C    1 
ATOM   114  O O    . ARG   A 1 25  ? 38.790 -4.339 40.742 1.00 23.65 ? 21   ARG   A O    1 
ATOM   115  C CB   . ARG   A 1 25  ? 38.331 -7.170 39.210 1.00 28.30 ? 21   ARG   A CB   1 
ATOM   116  C CG   . ARG   A 1 25  ? 39.407 -7.615 38.259 1.00 31.83 ? 21   ARG   A CG   1 
ATOM   117  C CD   . ARG   A 1 25  ? 38.849 -8.573 37.208 1.00 32.33 ? 21   ARG   A CD   1 
ATOM   118  N NE   . ARG   A 1 25  ? 37.447 -8.324 36.887 1.00 30.34 ? 21   ARG   A NE   1 
ATOM   119  C CZ   . ARG   A 1 25  ? 37.025 -7.638 35.833 1.00 26.01 ? 21   ARG   A CZ   1 
ATOM   120  N NH1  . ARG   A 1 25  ? 37.874 -7.065 34.990 1.00 24.81 ? 21   ARG   A NH1  1 
ATOM   121  N NH2  . ARG   A 1 25  ? 35.717 -7.534 35.610 1.00 25.89 ? 21   ARG   A NH2  1 
ATOM   122  N N    . VAL   A 1 26  ? 40.779 -5.330 40.361 1.00 26.19 ? 22   VAL   A N    1 
ATOM   123  C CA   . VAL   A 1 26  ? 41.475 -4.049 40.296 1.00 27.92 ? 22   VAL   A CA   1 
ATOM   124  C C    . VAL   A 1 26  ? 41.172 -3.376 38.964 1.00 23.66 ? 22   VAL   A C    1 
ATOM   125  O O    . VAL   A 1 26  ? 40.977 -4.035 37.935 1.00 23.81 ? 22   VAL   A O    1 
ATOM   126  C CB   . VAL   A 1 26  ? 42.995 -4.211 40.480 1.00 30.74 ? 22   VAL   A CB   1 
ATOM   127  C CG1  . VAL   A 1 26  ? 43.302 -4.975 41.749 1.00 32.60 ? 22   VAL   A CG1  1 
ATOM   128  C CG2  . VAL   A 1 26  ? 43.598 -4.911 39.279 1.00 34.74 ? 22   VAL   A CG2  1 
ATOM   129  N N    . TYR   A 1 27  ? 41.132 -2.047 38.983 1.00 23.32 ? 23   TYR   A N    1 
ATOM   130  C CA   . TYR   A 1 27  ? 41.086 -1.258 37.759 1.00 22.15 ? 23   TYR   A CA   1 
ATOM   131  C C    . TYR   A 1 27  ? 42.006 -0.062 37.937 1.00 24.11 ? 23   TYR   A C    1 
ATOM   132  O O    . TYR   A 1 27  ? 42.624 0.121  38.986 1.00 23.82 ? 23   TYR   A O    1 
ATOM   133  C CB   . TYR   A 1 27  ? 39.659 -0.811 37.406 1.00 24.04 ? 23   TYR   A CB   1 
ATOM   134  C CG   . TYR   A 1 27  ? 39.008 0.228  38.319 1.00 24.34 ? 23   TYR   A CG   1 
ATOM   135  C CD1  . TYR   A 1 27  ? 38.492 -0.141 39.550 1.00 28.38 ? 23   TYR   A CD1  1 
ATOM   136  C CD2  . TYR   A 1 27  ? 38.844 1.567  37.926 1.00 24.71 ? 23   TYR   A CD2  1 
ATOM   137  C CE1  . TYR   A 1 27  ? 37.863 0.767  40.390 1.00 31.71 ? 23   TYR   A CE1  1 
ATOM   138  C CE2  . TYR   A 1 27  ? 38.196 2.506  38.784 1.00 29.30 ? 23   TYR   A CE2  1 
ATOM   139  C CZ   . TYR   A 1 27  ? 37.709 2.068  39.995 1.00 34.69 ? 23   TYR   A CZ   1 
ATOM   140  O OH   . TYR   A 1 27  ? 37.061 2.944  40.919 1.00 46.11 ? 23   TYR   A OH   1 
ATOM   141  N N    . TYR   A 1 28  ? 42.091 0.768  36.902 1.00 21.55 ? 24   TYR   A N    1 
ATOM   142  C CA   . TYR   A 1 28  ? 42.961 1.929  36.927 1.00 22.01 ? 24   TYR   A CA   1 
ATOM   143  C C    . TYR   A 1 28  ? 42.152 3.173  36.598 1.00 21.62 ? 24   TYR   A C    1 
ATOM   144  O O    . TYR   A 1 28  ? 41.300 3.157  35.701 1.00 19.87 ? 24   TYR   A O    1 
ATOM   145  C CB   . TYR   A 1 28  ? 44.127 1.742  35.959 1.00 25.01 ? 24   TYR   A CB   1 
ATOM   146  C CG   . TYR   A 1 28  ? 44.927 0.516  36.325 1.00 26.93 ? 24   TYR   A CG   1 
ATOM   147  C CD1  . TYR   A 1 28  ? 45.932 0.577  37.284 1.00 29.19 ? 24   TYR   A CD1  1 
ATOM   148  C CD2  . TYR   A 1 28  ? 44.632 -0.713 35.764 1.00 26.42 ? 24   TYR   A CD2  1 
ATOM   149  C CE1  . TYR   A 1 28  ? 46.650 -0.550 37.642 1.00 31.73 ? 24   TYR   A CE1  1 
ATOM   150  C CE2  . TYR   A 1 28  ? 45.341 -1.853 36.114 1.00 29.71 ? 24   TYR   A CE2  1 
ATOM   151  C CZ   . TYR   A 1 28  ? 46.351 -1.765 37.051 1.00 35.06 ? 24   TYR   A CZ   1 
ATOM   152  O OH   . TYR   A 1 28  ? 47.056 -2.896 37.402 1.00 38.66 ? 24   TYR   A OH   1 
ATOM   153  N N    . PHE   A 1 29  ? 42.406 4.234  37.368 1.00 18.60 ? 25   PHE   A N    1 
ATOM   154  C CA   . PHE   A 1 29  ? 41.716 5.509  37.255 1.00 20.97 ? 25   PHE   A CA   1 
ATOM   155  C C    . PHE   A 1 29  ? 42.761 6.597  37.047 1.00 22.35 ? 25   PHE   A C    1 
ATOM   156  O O    . PHE   A 1 29  ? 43.812 6.585  37.694 1.00 20.11 ? 25   PHE   A O    1 
ATOM   157  C CB   . PHE   A 1 29  ? 40.876 5.788  38.524 1.00 19.75 ? 25   PHE   A CB   1 
ATOM   158  C CG   . PHE   A 1 29  ? 40.152 7.102  38.506 1.00 17.90 ? 25   PHE   A CG   1 
ATOM   159  C CD1  . PHE   A 1 29  ? 38.963 7.252  37.800 1.00 20.95 ? 25   PHE   A CD1  1 
ATOM   160  C CD2  . PHE   A 1 29  ? 40.658 8.195  39.195 1.00 19.91 ? 25   PHE   A CD2  1 
ATOM   161  C CE1  . PHE   A 1 29  ? 38.287 8.478  37.793 1.00 16.85 ? 25   PHE   A CE1  1 
ATOM   162  C CE2  . PHE   A 1 29  ? 39.996 9.397  39.181 1.00 19.37 ? 25   PHE   A CE2  1 
ATOM   163  C CZ   . PHE   A 1 29  ? 38.817 9.545  38.471 1.00 20.37 ? 25   PHE   A CZ   1 
ATOM   164  N N    . ASN   A 1 30  ? 42.485 7.522  36.136 1.00 18.35 ? 26   ASN   A N    1 
ATOM   165  C CA   . ASN   A 1 30  ? 43.354 8.668  35.884 1.00 19.26 ? 26   ASN   A CA   1 
ATOM   166  C C    . ASN   A 1 30  ? 42.693 9.910  36.461 1.00 17.45 ? 26   ASN   A C    1 
ATOM   167  O O    . ASN   A 1 30  ? 41.578 10.267 36.057 1.00 17.37 ? 26   ASN   A O    1 
ATOM   168  C CB   . ASN   A 1 30  ? 43.597 8.844  34.380 1.00 16.27 ? 26   ASN   A CB   1 
ATOM   169  C CG   . ASN   A 1 30  ? 44.708 9.838  34.094 1.00 20.14 ? 26   ASN   A CG   1 
ATOM   170  O OD1  . ASN   A 1 30  ? 44.599 11.010 34.435 1.00 20.85 ? 26   ASN   A OD1  1 
ATOM   171  N ND2  . ASN   A 1 30  ? 45.784 9.367  33.471 1.00 24.13 ? 26   ASN   A ND2  1 
ATOM   172  N N    . HIS   A 1 31  ? 43.350 10.547 37.440 1.00 18.17 ? 27   HIS   A N    1 
ATOM   173  C CA   . HIS   A 1 31  ? 42.723 11.702 38.067 1.00 17.30 ? 27   HIS   A CA   1 
ATOM   174  C C    . HIS   A 1 31  ? 42.943 12.993 37.291 1.00 17.96 ? 27   HIS   A C    1 
ATOM   175  O O    . HIS   A 1 31  ? 42.468 14.040 37.736 1.00 18.09 ? 27   HIS   A O    1 
ATOM   176  C CB   . HIS   A 1 31  ? 43.208 11.876 39.519 1.00 17.59 ? 27   HIS   A CB   1 
ATOM   177  C CG   . HIS   A 1 31  ? 44.690 12.013 39.653 1.00 22.52 ? 27   HIS   A CG   1 
ATOM   178  N ND1  . HIS   A 1 31  ? 45.475 11.049 40.250 1.00 28.36 ? 27   HIS   A ND1  1 
ATOM   179  C CD2  . HIS   A 1 31  ? 45.531 13.004 39.276 1.00 22.87 ? 27   HIS   A CD2  1 
ATOM   180  C CE1  . HIS   A 1 31  ? 46.739 11.437 40.224 1.00 29.53 ? 27   HIS   A CE1  1 
ATOM   181  N NE2  . HIS   A 1 31  ? 46.799 12.619 39.637 1.00 26.21 ? 27   HIS   A NE2  1 
ATOM   182  N N    . ILE   A 1 32  ? 43.606 12.939 36.138 1.00 17.16 ? 28   ILE   A N    1 
ATOM   183  C CA   . ILE   A 1 32  ? 43.718 14.097 35.261 1.00 21.11 ? 28   ILE   A CA   1 
ATOM   184  C C    . ILE   A 1 32  ? 42.664 14.068 34.163 1.00 18.50 ? 28   ILE   A C    1 
ATOM   185  O O    . ILE   A 1 32  ? 42.086 15.100 33.825 1.00 18.66 ? 28   ILE   A O    1 
ATOM   186  C CB   . ILE   A 1 32  ? 45.135 14.199 34.656 1.00 20.73 ? 28   ILE   A CB   1 
ATOM   187  C CG1  . ILE   A 1 32  ? 46.201 14.136 35.749 1.00 23.50 ? 28   ILE   A CG1  1 
ATOM   188  C CG2  . ILE   A 1 32  ? 45.274 15.502 33.862 1.00 21.22 ? 28   ILE   A CG2  1 
ATOM   189  C CD1  . ILE   A 1 32  ? 47.601 13.984 35.210 1.00 26.25 ? 28   ILE   A CD1  1 
ATOM   190  N N    . THR   A 1 33  ? 42.383 12.889 33.611 1.00 17.17 ? 29   THR   A N    1 
ATOM   191  C CA   . THR   A 1 33  ? 41.410 12.759 32.529 1.00 16.65 ? 29   THR   A CA   1 
ATOM   192  C C    . THR   A 1 33  ? 40.075 12.221 33.012 1.00 16.80 ? 29   THR   A C    1 
ATOM   193  O O    . THR   A 1 33  ? 39.094 12.270 32.267 1.00 16.82 ? 29   THR   A O    1 
ATOM   194  C CB   . THR   A 1 33  ? 41.935 11.813 31.462 1.00 19.65 ? 29   THR   A CB   1 
ATOM   195  O OG1  . THR   A 1 33  ? 42.020 10.502 32.044 1.00 16.15 ? 29   THR   A OG1  1 
ATOM   196  C CG2  . THR   A 1 33  ? 43.310 12.250 30.971 1.00 18.57 ? 29   THR   A CG2  1 
ATOM   197  N N    . ASN   A 1 34  ? 40.034 11.698 34.236 1.00 15.98 ? 30   ASN   A N    1 
ATOM   198  C CA   . ASN   A 1 34  ? 38.878 11.030 34.822 1.00 18.11 ? 30   ASN   A CA   1 
ATOM   199  C C    . ASN   A 1 34  ? 38.492 9.752  34.076 1.00 15.68 ? 30   ASN   A C    1 
ATOM   200  O O    . ASN   A 1 34  ? 37.385 9.233  34.271 1.00 16.11 ? 30   ASN   A O    1 
ATOM   201  C CB   . ASN   A 1 34  ? 37.691 11.996 34.941 1.00 13.48 ? 30   ASN   A CB   1 
ATOM   202  C CG   . ASN   A 1 34  ? 37.881 12.987 36.080 1.00 14.87 ? 30   ASN   A CG   1 
ATOM   203  O OD1  . ASN   A 1 34  ? 38.567 12.668 37.056 1.00 20.19 ? 30   ASN   A OD1  1 
ATOM   204  N ND2  . ASN   A 1 34  ? 37.285 14.172 35.973 1.00 14.05 ? 30   ASN   A ND2  1 
ATOM   205  N N    . ALA   A 1 35  ? 39.390 9.203  33.257 1.00 15.55 ? 31   ALA   A N    1 
ATOM   206  C CA   . ALA   A 1 35  ? 39.120 7.934  32.583 1.00 18.20 ? 31   ALA   A CA   1 
ATOM   207  C C    . ALA   A 1 35  ? 39.414 6.754  33.509 1.00 18.67 ? 31   ALA   A C    1 
ATOM   208  O O    . ALA   A 1 35  ? 40.255 6.833  34.407 1.00 18.41 ? 31   ALA   A O    1 
ATOM   209  C CB   . ALA   A 1 35  ? 39.963 7.814  31.313 1.00 19.42 ? 31   ALA   A CB   1 
ATOM   210  N N    . SER   A 1 36  ? 38.708 5.645  33.276 1.00 17.25 ? 32   SER   A N    1 
ATOM   211  C CA   . SER   A 1 36  ? 38.953 4.395  33.980 1.00 18.37 ? 32   SER   A CA   1 
ATOM   212  C C    . SER   A 1 36  ? 39.072 3.268  32.965 1.00 19.49 ? 32   SER   A C    1 
ATOM   213  O O    . SER   A 1 36  ? 38.434 3.298  31.907 1.00 20.96 ? 32   SER   A O    1 
ATOM   214  C CB   . SER   A 1 36  ? 37.834 4.089  34.973 1.00 23.12 ? 32   SER   A CB   1 
ATOM   215  O OG   . SER   A 1 36  ? 36.583 4.280  34.346 1.00 28.22 ? 32   SER   A OG   1 
ATOM   216  N N    . GLN   A 1 37  ? 39.924 2.291  33.267 1.00 18.34 ? 33   GLN   A N    1 
ATOM   217  C CA   . GLN   A 1 37  ? 40.092 1.144  32.371 1.00 19.84 ? 33   GLN   A CA   1 
ATOM   218  C C    . GLN   A 1 37  ? 40.544 -0.058 33.191 1.00 23.23 ? 33   GLN   A C    1 
ATOM   219  O O    . GLN   A 1 37  ? 41.102 0.093  34.275 1.00 21.71 ? 33   GLN   A O    1 
ATOM   220  C CB   . GLN   A 1 37  ? 41.098 1.419  31.245 1.00 20.85 ? 33   GLN   A CB   1 
ATOM   221  C CG   . GLN   A 1 37  ? 42.518 1.702  31.730 1.00 25.51 ? 33   GLN   A CG   1 
ATOM   222  C CD   . GLN   A 1 37  ? 43.475 1.997  30.597 1.00 28.10 ? 33   GLN   A CD   1 
ATOM   223  O OE1  . GLN   A 1 37  ? 43.229 2.887  29.769 1.00 25.33 ? 33   GLN   A OE1  1 
ATOM   224  N NE2  . GLN   A 1 37  ? 44.575 1.247  30.542 1.00 26.87 ? 33   GLN   A NE2  1 
ATOM   225  N N    . TRP   A 1 38  ? 40.308 -1.262 32.651 1.00 21.95 ? 34   TRP   A N    1 
ATOM   226  C CA   . TRP   A 1 38  ? 40.696 -2.487 33.354 1.00 24.57 ? 34   TRP   A CA   1 
ATOM   227  C C    . TRP   A 1 38  ? 42.163 -2.846 33.150 1.00 24.37 ? 34   TRP   A C    1 
ATOM   228  O O    . TRP   A 1 38  ? 42.799 -3.355 34.077 1.00 25.54 ? 34   TRP   A O    1 
ATOM   229  C CB   . TRP   A 1 38  ? 39.828 -3.668 32.910 1.00 18.25 ? 34   TRP   A CB   1 
ATOM   230  C CG   . TRP   A 1 38  ? 38.362 -3.580 33.320 1.00 20.79 ? 34   TRP   A CG   1 
ATOM   231  C CD1  . TRP   A 1 38  ? 37.297 -3.335 32.501 1.00 22.12 ? 34   TRP   A CD1  1 
ATOM   232  C CD2  . TRP   A 1 38  ? 37.820 -3.751 34.632 1.00 20.55 ? 34   TRP   A CD2  1 
ATOM   233  N NE1  . TRP   A 1 38  ? 36.132 -3.335 33.216 1.00 20.76 ? 34   TRP   A NE1  1 
ATOM   234  C CE2  . TRP   A 1 38  ? 36.420 -3.592 34.530 1.00 21.91 ? 34   TRP   A CE2  1 
ATOM   235  C CE3  . TRP   A 1 38  ? 38.380 -4.008 35.890 1.00 24.79 ? 34   TRP   A CE3  1 
ATOM   236  C CZ2  . TRP   A 1 38  ? 35.579 -3.671 35.629 1.00 22.38 ? 34   TRP   A CZ2  1 
ATOM   237  C CZ3  . TRP   A 1 38  ? 37.534 -4.107 36.988 1.00 22.04 ? 34   TRP   A CZ3  1 
ATOM   238  C CH2  . TRP   A 1 38  ? 36.147 -3.934 36.848 1.00 23.14 ? 34   TRP   A CH2  1 
ATOM   239  N N    . GLU   A 1 39  ? 42.712 -2.587 31.965 1.00 24.37 ? 35   GLU   A N    1 
ATOM   240  C CA   A GLU   A 1 39  ? 44.079 -2.955 31.631 0.50 28.21 ? 35   GLU   A CA   1 
ATOM   241  C CA   B GLU   A 1 39  ? 44.085 -2.975 31.671 0.50 27.21 ? 35   GLU   A CA   1 
ATOM   242  C C    . GLU   A 1 39  ? 45.072 -1.991 32.280 1.00 29.99 ? 35   GLU   A C    1 
ATOM   243  O O    . GLU   A 1 39  ? 44.787 -0.805 32.443 1.00 27.87 ? 35   GLU   A O    1 
ATOM   244  C CB   A GLU   A 1 39  ? 44.242 -2.946 30.110 0.50 29.88 ? 35   GLU   A CB   1 
ATOM   245  C CB   B GLU   A 1 39  ? 44.321 -3.060 30.165 0.50 29.89 ? 35   GLU   A CB   1 
ATOM   246  C CG   A GLU   A 1 39  ? 43.133 -3.695 29.331 0.50 28.08 ? 35   GLU   A CG   1 
ATOM   247  C CG   B GLU   A 1 39  ? 43.719 -4.281 29.503 0.50 28.63 ? 35   GLU   A CG   1 
ATOM   248  C CD   A GLU   A 1 39  ? 41.819 -2.907 29.141 0.50 28.30 ? 35   GLU   A CD   1 
ATOM   249  C CD   B GLU   A 1 39  ? 44.029 -4.341 28.022 0.50 31.27 ? 35   GLU   A CD   1 
ATOM   250  O OE1  A GLU   A 1 39  ? 41.757 -1.693 29.436 0.50 22.97 ? 35   GLU   A OE1  1 
ATOM   251  O OE1  B GLU   A 1 39  ? 45.161 -3.988 27.630 0.50 34.92 ? 35   GLU   A OE1  1 
ATOM   252  O OE2  A GLU   A 1 39  ? 40.832 -3.520 28.680 0.50 29.33 ? 35   GLU   A OE2  1 
ATOM   253  O OE2  B GLU   A 1 39  ? 43.137 -4.730 27.244 0.50 31.88 ? 35   GLU   A OE2  1 
ATOM   254  N N    . ARG   A 1 40  ? 46.249 -2.504 32.640 1.00 29.56 ? 36   ARG   A N    1 
ATOM   255  C CA   . ARG   A 1 40  ? 47.256 -1.633 33.250 1.00 31.93 ? 36   ARG   A CA   1 
ATOM   256  C C    . ARG   A 1 40  ? 47.778 -0.650 32.208 1.00 34.80 ? 36   ARG   A C    1 
ATOM   257  O O    . ARG   A 1 40  ? 48.232 -1.076 31.136 1.00 35.52 ? 36   ARG   A O    1 
ATOM   258  C CB   . ARG   A 1 40  ? 48.405 -2.439 33.855 1.00 33.96 ? 36   ARG   A CB   1 
ATOM   259  C CG   . ARG   A 1 40  ? 49.399 -1.595 34.659 1.00 37.24 ? 36   ARG   A CG   1 
ATOM   260  C CD   . ARG   A 1 40  ? 50.583 -2.429 35.138 1.00 43.81 ? 36   ARG   A CD   1 
ATOM   261  N NE   . ARG   A 1 40  ? 51.564 -1.625 35.857 1.00 46.63 ? 36   ARG   A NE   1 
ATOM   262  C CZ   . ARG   A 1 40  ? 51.549 -1.413 37.166 1.00 49.03 ? 36   ARG   A CZ   1 
ATOM   263  N NH1  . ARG   A 1 40  ? 50.611 -1.932 37.942 1.00 48.04 ? 36   ARG   A NH1  1 
ATOM   264  N NH2  . ARG   A 1 40  ? 52.500 -0.658 37.710 1.00 53.65 ? 36   ARG   A NH2  1 
ATOM   265  N N    . PRO   A 1 41  ? 47.718 0.656  32.462 1.00 35.53 ? 37   PRO   A N    1 
ATOM   266  C CA   . PRO   A 1 41  ? 48.150 1.623  31.445 1.00 38.09 ? 37   PRO   A CA   1 
ATOM   267  C C    . PRO   A 1 41  ? 49.648 1.526  31.185 1.00 42.56 ? 37   PRO   A C    1 
ATOM   268  O O    . PRO   A 1 41  ? 50.448 1.319  32.103 1.00 42.56 ? 37   PRO   A O    1 
ATOM   269  C CB   . PRO   A 1 41  ? 47.766 2.978  32.056 1.00 35.02 ? 37   PRO   A CB   1 
ATOM   270  C CG   . PRO   A 1 41  ? 47.686 2.742  33.513 1.00 34.38 ? 37   PRO   A CG   1 
ATOM   271  C CD   . PRO   A 1 41  ? 47.248 1.309  33.695 1.00 32.89 ? 37   PRO   A CD   1 
ATOM   272  N N    . SER   A 1 42  ? 50.024 1.693  29.920 1.00 48.48 ? 38   SER   A N    1 
ATOM   273  C CA   . SER   A 1 42  ? 51.420 1.547  29.510 1.00 56.62 ? 38   SER   A CA   1 
ATOM   274  C C    . SER   A 1 42  ? 52.198 2.860  29.625 1.00 56.30 ? 38   SER   A C    1 
ATOM   275  O O    . SER   A 1 42  ? 51.941 3.815  28.889 1.00 54.60 ? 38   SER   A O    1 
ATOM   276  C CB   . SER   A 1 42  ? 51.498 1.017  28.074 1.00 58.26 ? 38   SER   A CB   1 
ATOM   277  O OG   . SER   A 1 42  ? 52.843 0.789  27.684 1.00 68.13 ? 38   SER   A OG   1 
ATOM   278  N N    . GLU   A 1 55  ? 56.316 15.780 26.947 1.00 56.02 ? 51   GLU   A N    1 
ATOM   279  C CA   . GLU   A 1 55  ? 55.030 15.755 26.256 1.00 52.77 ? 51   GLU   A CA   1 
ATOM   280  C C    . GLU   A 1 55  ? 55.108 16.524 24.943 1.00 54.08 ? 51   GLU   A C    1 
ATOM   281  O O    . GLU   A 1 55  ? 56.024 17.324 24.740 1.00 56.44 ? 51   GLU   A O    1 
ATOM   282  C CB   . GLU   A 1 55  ? 53.921 16.339 27.142 1.00 53.24 ? 51   GLU   A CB   1 
ATOM   283  C CG   . GLU   A 1 55  ? 53.959 17.856 27.268 1.00 49.89 ? 51   GLU   A CG   1 
ATOM   284  C CD   . GLU   A 1 55  ? 52.829 18.420 28.118 1.00 43.68 ? 51   GLU   A CD   1 
ATOM   285  O OE1  . GLU   A 1 55  ? 52.372 17.741 29.067 1.00 42.26 ? 51   GLU   A OE1  1 
ATOM   286  O OE2  . GLU   A 1 55  ? 52.392 19.554 27.826 1.00 41.89 ? 51   GLU   A OE2  1 
ATOM   287  N N    . PRO   A 1 56  ? 54.148 16.281 24.052 1.00 53.32 ? 52   PRO   A N    1 
ATOM   288  C CA   . PRO   A 1 56  ? 54.156 16.963 22.754 1.00 48.81 ? 52   PRO   A CA   1 
ATOM   289  C C    . PRO   A 1 56  ? 53.773 18.428 22.891 1.00 44.51 ? 52   PRO   A C    1 
ATOM   290  O O    . PRO   A 1 56  ? 53.158 18.855 23.869 1.00 47.05 ? 52   PRO   A O    1 
ATOM   291  C CB   . PRO   A 1 56  ? 53.115 16.189 21.938 1.00 46.68 ? 52   PRO   A CB   1 
ATOM   292  C CG   . PRO   A 1 56  ? 52.182 15.634 22.964 1.00 45.48 ? 52   PRO   A CG   1 
ATOM   293  C CD   . PRO   A 1 56  ? 53.028 15.331 24.176 1.00 50.18 ? 52   PRO   A CD   1 
ATOM   294  N N    . ALA   A 1 57  ? 54.146 19.202 21.872 1.00 42.00 ? 53   ALA   A N    1 
ATOM   295  C CA   . ALA   A 1 57  ? 53.898 20.637 21.914 1.00 40.95 ? 53   ALA   A CA   1 
ATOM   296  C C    . ALA   A 1 57  ? 52.429 20.953 21.671 1.00 40.22 ? 53   ALA   A C    1 
ATOM   297  O O    . ALA   A 1 57  ? 51.890 21.907 22.246 1.00 40.23 ? 53   ALA   A O    1 
ATOM   298  C CB   . ALA   A 1 57  ? 54.780 21.355 20.893 1.00 44.70 ? 53   ALA   A CB   1 
ATOM   299  N N    . ARG   A 1 58  ? 51.770 20.183 20.807 1.00 37.57 ? 54   ARG   A N    1 
ATOM   300  C CA   . ARG   A 1 58  ? 50.363 20.398 20.515 1.00 35.51 ? 54   ARG   A CA   1 
ATOM   301  C C    . ARG   A 1 58  ? 49.650 19.054 20.452 1.00 28.86 ? 54   ARG   A C    1 
ATOM   302  O O    . ARG   A 1 58  ? 50.262 18.015 20.200 1.00 31.38 ? 54   ARG   A O    1 
ATOM   303  C CB   . ARG   A 1 58  ? 50.168 21.176 19.203 1.00 37.95 ? 54   ARG   A CB   1 
ATOM   304  C CG   . ARG   A 1 58  ? 50.896 22.512 19.177 1.00 40.87 ? 54   ARG   A CG   1 
ATOM   305  C CD   . ARG   A 1 58  ? 50.138 23.565 18.373 1.00 38.30 ? 54   ARG   A CD   1 
ATOM   306  N NE   . ARG   A 1 58  ? 49.993 23.203 16.970 1.00 45.08 ? 54   ARG   A NE   1 
ATOM   307  C CZ   . ARG   A 1 58  ? 49.181 23.822 16.122 1.00 49.92 ? 54   ARG   A CZ   1 
ATOM   308  N NH1  . ARG   A 1 58  ? 48.419 24.834 16.506 1.00 49.91 ? 54   ARG   A NH1  1 
ATOM   309  N NH2  . ARG   A 1 58  ? 49.128 23.412 14.857 1.00 50.90 ? 54   ARG   A NH2  1 
ATOM   310  N N    . VAL   A 1 59  ? 48.345 19.090 20.720 1.00 27.75 ? 55   VAL   A N    1 
ATOM   311  C CA   . VAL   A 1 59  ? 47.463 17.946 20.529 1.00 26.52 ? 55   VAL   A CA   1 
ATOM   312  C C    . VAL   A 1 59  ? 46.246 18.420 19.755 1.00 24.67 ? 55   VAL   A C    1 
ATOM   313  O O    . VAL   A 1 59  ? 45.961 19.615 19.668 1.00 26.14 ? 55   VAL   A O    1 
ATOM   314  C CB   . VAL   A 1 59  ? 47.029 17.292 21.863 1.00 23.77 ? 55   VAL   A CB   1 
ATOM   315  C CG1  . VAL   A 1 59  ? 48.236 16.783 22.619 1.00 27.56 ? 55   VAL   A CG1  1 
ATOM   316  C CG2  . VAL   A 1 59  ? 46.226 18.274 22.719 1.00 25.35 ? 55   VAL   A CG2  1 
ATOM   317  N N    . ARG   A 1 60  ? 45.516 17.457 19.191 1.00 19.09 ? 56   ARG   A N    1 
ATOM   318  C CA   . ARG   A 1 60  ? 44.248 17.723 18.536 1.00 20.75 ? 56   ARG   A CA   1 
ATOM   319  C C    . ARG   A 1 60  ? 43.191 16.908 19.259 1.00 22.85 ? 56   ARG   A C    1 
ATOM   320  O O    . ARG   A 1 60  ? 43.401 15.720 19.519 1.00 22.78 ? 56   ARG   A O    1 
ATOM   321  C CB   . ARG   A 1 60  ? 44.294 17.341 17.055 1.00 23.36 ? 56   ARG   A CB   1 
ATOM   322  C CG   . ARG   A 1 60  ? 43.020 17.661 16.302 1.00 24.04 ? 56   ARG   A CG   1 
ATOM   323  C CD   . ARG   A 1 60  ? 43.125 17.167 14.856 1.00 26.13 ? 56   ARG   A CD   1 
ATOM   324  N NE   . ARG   A 1 60  ? 41.941 17.497 14.078 1.00 24.20 ? 56   ARG   A NE   1 
ATOM   325  C CZ   . ARG   A 1 60  ? 41.828 17.272 12.777 1.00 32.00 ? 56   ARG   A CZ   1 
ATOM   326  N NH1  . ARG   A 1 60  ? 42.795 16.686 12.093 1.00 31.51 ? 56   ARG   A NH1  1 
ATOM   327  N NH2  . ARG   A 1 60  ? 40.714 17.633 12.151 1.00 28.03 ? 56   ARG   A NH2  1 
ATOM   328  N N    . CYS   A 1 61  ? 42.074 17.546 19.597 1.00 20.28 ? 57   CYS   A N    1 
ATOM   329  C CA   . CYS   A 1 61  ? 41.023 16.884 20.352 1.00 18.79 ? 57   CYS   A CA   1 
ATOM   330  C C    . CYS   A 1 61  ? 39.674 17.243 19.768 1.00 19.35 ? 57   CYS   A C    1 
ATOM   331  O O    . CYS   A 1 61  ? 39.483 18.324 19.203 1.00 19.60 ? 57   CYS   A O    1 
ATOM   332  C CB   . CYS   A 1 61  ? 41.056 17.285 21.845 1.00 16.32 ? 57   CYS   A CB   1 
ATOM   333  S SG   . CYS   A 1 61  ? 42.480 16.651 22.679 1.00 21.17 ? 57   CYS   A SG   1 
ATOM   334  N N    . SER   A 1 62  ? 38.735 16.320 19.910 1.00 14.94 ? 58   SER   A N    1 
ATOM   335  C CA   . SER   A 1 62  ? 37.324 16.620 19.775 1.00 15.53 ? 58   SER   A CA   1 
ATOM   336  C C    . SER   A 1 62  ? 36.692 16.567 21.159 1.00 16.67 ? 58   SER   A C    1 
ATOM   337  O O    . SER   A 1 62  ? 37.284 16.045 22.100 1.00 16.89 ? 58   SER   A O    1 
ATOM   338  C CB   . SER   A 1 62  ? 36.642 15.629 18.833 1.00 19.13 ? 58   SER   A CB   1 
ATOM   339  O OG   . SER   A 1 62  ? 37.361 15.572 17.603 1.00 19.19 ? 58   SER   A OG   1 
ATOM   340  N N    . HIS   A 1 63  ? 35.504 17.139 21.289 1.00 15.50 ? 59   HIS   A N    1 
ATOM   341  C CA   . HIS   A 1 63  ? 34.818 17.043 22.571 1.00 15.40 ? 59   HIS   A CA   1 
ATOM   342  C C    . HIS   A 1 63  ? 33.312 17.055 22.365 1.00 15.07 ? 59   HIS   A C    1 
ATOM   343  O O    . HIS   A 1 63  ? 32.794 17.432 21.310 1.00 17.82 ? 59   HIS   A O    1 
ATOM   344  C CB   . HIS   A 1 63  ? 35.266 18.165 23.535 1.00 16.93 ? 59   HIS   A CB   1 
ATOM   345  C CG   . HIS   A 1 63  ? 34.648 19.502 23.266 1.00 18.75 ? 59   HIS   A CG   1 
ATOM   346  N ND1  . HIS   A 1 63  ? 34.168 20.309 24.274 1.00 18.81 ? 59   HIS   A ND1  1 
ATOM   347  C CD2  . HIS   A 1 63  ? 34.458 20.190 22.113 1.00 20.08 ? 59   HIS   A CD2  1 
ATOM   348  C CE1  . HIS   A 1 63  ? 33.684 21.423 23.754 1.00 23.46 ? 59   HIS   A CE1  1 
ATOM   349  N NE2  . HIS   A 1 63  ? 33.854 21.380 22.443 1.00 19.97 ? 59   HIS   A NE2  1 
ATOM   350  N N    . LEU   A 1 64  ? 32.611 16.607 23.397 1.00 13.87 ? 60   LEU   A N    1 
ATOM   351  C CA   . LEU   A 1 64  ? 31.171 16.690 23.493 1.00 14.60 ? 60   LEU   A CA   1 
ATOM   352  C C    . LEU   A 1 64  ? 30.906 17.440 24.784 1.00 16.65 ? 60   LEU   A C    1 
ATOM   353  O O    . LEU   A 1 64  ? 31.378 17.023 25.845 1.00 15.69 ? 60   LEU   A O    1 
ATOM   354  C CB   . LEU   A 1 64  ? 30.539 15.296 23.511 1.00 14.75 ? 60   LEU   A CB   1 
ATOM   355  C CG   . LEU   A 1 64  ? 29.028 15.129 23.436 1.00 15.87 ? 60   LEU   A CG   1 
ATOM   356  C CD1  . LEU   A 1 64  ? 28.717 13.649 23.212 1.00 14.84 ? 60   LEU   A CD1  1 
ATOM   357  C CD2  . LEU   A 1 64  ? 28.363 15.598 24.723 1.00 14.97 ? 60   LEU   A CD2  1 
ATOM   358  N N    . LEU   A 1 65  ? 30.220 18.570 24.686 1.00 14.99 ? 61   LEU   A N    1 
ATOM   359  C CA   . LEU   A 1 65  ? 29.936 19.412 25.844 1.00 15.97 ? 61   LEU   A CA   1 
ATOM   360  C C    . LEU   A 1 65  ? 28.466 19.301 26.209 1.00 15.07 ? 61   LEU   A C    1 
ATOM   361  O O    . LEU   A 1 65  ? 27.594 19.389 25.345 1.00 17.10 ? 61   LEU   A O    1 
ATOM   362  C CB   . LEU   A 1 65  ? 30.295 20.874 25.546 1.00 19.30 ? 61   LEU   A CB   1 
ATOM   363  C CG   . LEU   A 1 65  ? 29.850 21.927 26.565 1.00 18.50 ? 61   LEU   A CG   1 
ATOM   364  C CD1  . LEU   A 1 65  ? 30.581 21.717 27.868 1.00 19.75 ? 61   LEU   A CD1  1 
ATOM   365  C CD2  . LEU   A 1 65  ? 30.104 23.331 25.999 1.00 22.33 ? 61   LEU   A CD2  1 
ATOM   366  N N    . VAL   A 1 66  ? 28.177 19.125 27.497 1.00 15.38 ? 62   VAL   A N    1 
ATOM   367  C CA   . VAL   A 1 66  ? 26.813 19.219 27.982 1.00 16.04 ? 62   VAL   A CA   1 
ATOM   368  C C    . VAL   A 1 66  ? 26.785 20.376 28.955 1.00 19.07 ? 62   VAL   A C    1 
ATOM   369  O O    . VAL   A 1 66  ? 27.489 20.348 29.974 1.00 18.52 ? 62   VAL   A O    1 
ATOM   370  C CB   . VAL   A 1 66  ? 26.327 17.926 28.646 1.00 18.09 ? 62   VAL   A CB   1 
ATOM   371  C CG1  . VAL   A 1 66  ? 24.899 18.095 29.104 1.00 19.36 ? 62   VAL   A CG1  1 
ATOM   372  C CG2  . VAL   A 1 66  ? 26.400 16.789 27.647 1.00 19.41 ? 62   VAL   A CG2  1 
ATOM   373  N N    . LYS   A 1 67  ? 25.995 21.398 28.635 1.00 20.72 ? 63   LYS   A N    1 
ATOM   374  C CA   . LYS   A 1 67  ? 25.904 22.556 29.511 1.00 19.93 ? 63   LYS   A CA   1 
ATOM   375  C C    . LYS   A 1 67  ? 24.808 22.332 30.554 1.00 20.11 ? 63   LYS   A C    1 
ATOM   376  O O    . LYS   A 1 67  ? 23.987 21.413 30.453 1.00 21.80 ? 63   LYS   A O    1 
ATOM   377  C CB   . LYS   A 1 67  ? 25.649 23.824 28.684 1.00 19.62 ? 63   LYS   A CB   1 
ATOM   378  C CG   . LYS   A 1 67  ? 26.882 24.349 27.972 1.00 21.35 ? 63   LYS   A CG   1 
ATOM   379  C CD   . LYS   A 1 67  ? 26.638 25.742 27.352 1.00 23.23 ? 63   LYS   A CD   1 
ATOM   380  C CE   . LYS   A 1 67  ? 27.954 26.414 26.987 1.00 29.99 ? 63   LYS   A CE   1 
ATOM   381  N NZ   . LYS   A 1 67  ? 27.746 27.802 26.431 1.00 30.52 ? 63   LYS   A NZ   1 
ATOM   382  N N    . HIS   A 1 68  ? 24.794 23.195 31.570 1.00 24.09 ? 64   HIS   A N    1 
ATOM   383  C CA   . HIS   A 1 68  ? 23.791 23.127 32.626 1.00 25.37 ? 64   HIS   A CA   1 
ATOM   384  C C    . HIS   A 1 68  ? 23.498 24.545 33.097 1.00 26.29 ? 64   HIS   A C    1 
ATOM   385  O O    . HIS   A 1 68  ? 24.088 25.511 32.612 1.00 24.53 ? 64   HIS   A O    1 
ATOM   386  C CB   . HIS   A 1 68  ? 24.259 22.237 33.793 1.00 22.56 ? 64   HIS   A CB   1 
ATOM   387  C CG   . HIS   A 1 68  ? 25.642 22.542 34.266 1.00 22.57 ? 64   HIS   A CG   1 
ATOM   388  N ND1  . HIS   A 1 68  ? 25.938 23.631 35.061 1.00 24.09 ? 64   HIS   A ND1  1 
ATOM   389  C CD2  . HIS   A 1 68  ? 26.815 21.901 34.056 1.00 23.58 ? 64   HIS   A CD2  1 
ATOM   390  C CE1  . HIS   A 1 68  ? 27.234 23.652 35.308 1.00 24.70 ? 64   HIS   A CE1  1 
ATOM   391  N NE2  . HIS   A 1 68  ? 27.789 22.610 34.712 1.00 24.48 ? 64   HIS   A NE2  1 
ATOM   392  N N    . SER   A 1 69  ? 22.586 24.669 34.067 1.00 27.77 ? 65   SER   A N    1 
ATOM   393  C CA   . SER   A 1 69  ? 22.185 26.003 34.508 1.00 28.49 ? 65   SER   A CA   1 
ATOM   394  C C    . SER   A 1 69  ? 23.318 26.785 35.181 1.00 31.20 ? 65   SER   A C    1 
ATOM   395  O O    . SER   A 1 69  ? 23.236 28.016 35.261 1.00 33.58 ? 65   SER   A O    1 
ATOM   396  C CB   . SER   A 1 69  ? 20.975 25.906 35.444 1.00 31.96 ? 65   SER   A CB   1 
ATOM   397  O OG   . SER   A 1 69  ? 21.314 25.243 36.645 1.00 32.50 ? 65   SER   A OG   1 
ATOM   398  N N    . GLN   A 1 70  ? 24.375 26.133 35.655 1.00 28.23 ? 66   GLN   A N    1 
ATOM   399  C CA   . GLN   A 1 70  ? 25.488 26.870 36.242 1.00 29.05 ? 66   GLN   A CA   1 
ATOM   400  C C    . GLN   A 1 70  ? 26.635 27.099 35.269 1.00 29.04 ? 66   GLN   A C    1 
ATOM   401  O O    . GLN   A 1 70  ? 27.670 27.635 35.672 1.00 29.93 ? 66   GLN   A O    1 
ATOM   402  C CB   . GLN   A 1 70  ? 26.003 26.163 37.510 1.00 32.65 ? 66   GLN   A CB   1 
ATOM   403  C CG   . GLN   A 1 70  ? 25.127 26.400 38.739 1.00 34.41 ? 66   GLN   A CG   1 
ATOM   404  C CD   . GLN   A 1 70  ? 25.842 26.104 40.060 1.00 35.76 ? 66   GLN   A CD   1 
ATOM   405  O OE1  . GLN   A 1 70  ? 27.027 26.416 40.234 1.00 31.66 ? 66   GLN   A OE1  1 
ATOM   406  N NE2  . GLN   A 1 70  ? 25.115 25.508 40.998 1.00 38.45 ? 66   GLN   A NE2  1 
ATOM   407  N N    . SER   A 1 71  ? 26.481 26.737 33.996 1.00 28.55 ? 67   SER   A N    1 
ATOM   408  C CA   . SER   A 1 71  ? 27.514 27.072 33.030 1.00 24.82 ? 67   SER   A CA   1 
ATOM   409  C C    . SER   A 1 71  ? 27.709 28.581 32.978 1.00 28.51 ? 67   SER   A C    1 
ATOM   410  O O    . SER   A 1 71  ? 26.776 29.355 33.200 1.00 31.72 ? 67   SER   A O    1 
ATOM   411  C CB   . SER   A 1 71  ? 27.138 26.557 31.640 1.00 25.81 ? 67   SER   A CB   1 
ATOM   412  O OG   . SER   A 1 71  ? 27.177 25.143 31.588 1.00 24.34 ? 67   SER   A OG   1 
ATOM   413  N N    . ARG   A 1 72  ? 28.934 28.996 32.657 1.00 28.80 ? 68   ARG   A N    1 
ATOM   414  C CA   . ARG   A 1 72  ? 29.207 30.420 32.489 1.00 33.47 ? 68   ARG   A CA   1 
ATOM   415  C C    . ARG   A 1 72  ? 28.166 31.072 31.586 1.00 36.07 ? 68   ARG   A C    1 
ATOM   416  O O    . ARG   A 1 72  ? 27.576 32.101 31.944 1.00 32.27 ? 68   ARG   A O    1 
ATOM   417  C CB   . ARG   A 1 72  ? 30.616 30.618 31.938 1.00 35.26 ? 68   ARG   A CB   1 
ATOM   418  C CG   . ARG   A 1 72  ? 30.988 32.068 31.716 1.00 40.65 ? 68   ARG   A CG   1 
ATOM   419  C CD   . ARG   A 1 72  ? 32.414 32.158 31.244 1.00 47.62 ? 68   ARG   A CD   1 
ATOM   420  N NE   . ARG   A 1 72  ? 32.735 31.042 30.362 1.00 49.87 ? 68   ARG   A NE   1 
ATOM   421  C CZ   . ARG   A 1 72  ? 33.944 30.790 29.882 1.00 50.85 ? 68   ARG   A CZ   1 
ATOM   422  N NH1  . ARG   A 1 72  ? 34.981 31.557 30.179 1.00 57.19 ? 68   ARG   A NH1  1 
ATOM   423  N NH2  . ARG   A 1 72  ? 34.119 29.740 29.084 1.00 48.69 ? 68   ARG   A NH2  1 
ATOM   424  N N    . ARG   A 1 73  ? 27.922 30.488 30.409 1.00 32.45 ? 69   ARG   A N    1 
ATOM   425  C CA   . ARG   A 1 73  ? 26.808 30.895 29.545 1.00 30.82 ? 69   ARG   A CA   1 
ATOM   426  C C    . ARG   A 1 73  ? 25.804 29.762 29.399 1.00 31.00 ? 69   ARG   A C    1 
ATOM   427  O O    . ARG   A 1 73  ? 26.014 28.839 28.590 1.00 29.11 ? 69   ARG   A O    1 
ATOM   428  C CB   . ARG   A 1 73  ? 27.294 31.335 28.166 1.00 36.84 ? 69   ARG   A CB   1 
ATOM   429  C CG   . ARG   A 1 73  ? 27.843 32.752 28.119 1.00 44.91 ? 69   ARG   A CG   1 
ATOM   430  C CD   . ARG   A 1 73  ? 27.965 33.206 26.675 1.00 47.07 ? 69   ARG   A CD   1 
ATOM   431  N NE   . ARG   A 1 73  ? 28.749 32.275 25.871 1.00 49.51 ? 69   ARG   A NE   1 
ATOM   432  C CZ   . ARG   A 1 73  ? 30.063 32.123 25.978 1.00 51.70 ? 69   ARG   A CZ   1 
ATOM   433  N NH1  . ARG   A 1 73  ? 30.766 32.799 26.875 1.00 52.63 ? 69   ARG   A NH1  1 
ATOM   434  N NH2  . ARG   A 1 73  ? 30.686 31.263 25.175 1.00 54.77 ? 69   ARG   A NH2  1 
ATOM   435  N N    . PRO   A 1 74  ? 24.705 29.789 30.142 1.00 29.87 ? 70   PRO   A N    1 
ATOM   436  C CA   . PRO   A 1 74  ? 23.661 28.753 30.050 1.00 27.75 ? 70   PRO   A CA   1 
ATOM   437  C C    . PRO   A 1 74  ? 22.832 28.862 28.776 1.00 29.06 ? 70   PRO   A C    1 
ATOM   438  O O    . PRO   A 1 74  ? 21.598 28.967 28.811 1.00 27.17 ? 70   PRO   A O    1 
ATOM   439  C CB   . PRO   A 1 74  ? 22.827 29.021 31.310 1.00 33.88 ? 70   PRO   A CB   1 
ATOM   440  C CG   . PRO   A 1 74  ? 22.982 30.493 31.548 1.00 32.82 ? 70   PRO   A CG   1 
ATOM   441  C CD   . PRO   A 1 74  ? 24.364 30.839 31.123 1.00 31.90 ? 70   PRO   A CD   1 
ATOM   442  N N    . SER   A 1 75  ? 23.525 28.831 27.637 1.00 26.18 ? 71   SER   A N    1 
ATOM   443  C CA   . SER   A 1 75  ? 22.938 28.934 26.307 1.00 28.04 ? 71   SER   A CA   1 
ATOM   444  C C    . SER   A 1 75  ? 23.860 28.211 25.340 1.00 25.59 ? 71   SER   A C    1 
ATOM   445  O O    . SER   A 1 75  ? 25.077 28.188 25.540 1.00 23.98 ? 71   SER   A O    1 
ATOM   446  C CB   . SER   A 1 75  ? 22.784 30.401 25.900 1.00 27.07 ? 71   SER   A CB   1 
ATOM   447  O OG   . SER   A 1 75  ? 22.151 30.540 24.648 1.00 31.00 ? 71   SER   A OG   1 
ATOM   448  N N    . SER   A 1 76  ? 23.284 27.642 24.277 1.00 26.19 ? 72   SER   A N    1 
ATOM   449  C CA   . SER   A 1 76  ? 24.109 27.035 23.235 1.00 28.43 ? 72   SER   A CA   1 
ATOM   450  C C    . SER   A 1 76  ? 23.424 27.175 21.884 1.00 25.40 ? 72   SER   A C    1 
ATOM   451  O O    . SER   A 1 76  ? 22.214 27.395 21.805 1.00 27.06 ? 72   SER   A O    1 
ATOM   452  C CB   . SER   A 1 76  ? 24.379 25.550 23.500 1.00 25.29 ? 72   SER   A CB   1 
ATOM   453  O OG   . SER   A 1 76  ? 23.210 24.770 23.291 1.00 22.84 ? 72   SER   A OG   1 
ATOM   454  N N    . TRP   A 1 77  ? 24.206 26.971 20.816 1.00 30.20 ? 73   TRP   A N    1 
ATOM   455  C CA   . TRP   A 1 77  ? 23.657 26.945 19.462 1.00 27.11 ? 73   TRP   A CA   1 
ATOM   456  C C    . TRP   A 1 77  ? 22.428 26.055 19.347 1.00 28.24 ? 73   TRP   A C    1 
ATOM   457  O O    . TRP   A 1 77  ? 21.613 26.242 18.440 1.00 27.76 ? 73   TRP   A O    1 
ATOM   458  C CB   . TRP   A 1 77  ? 24.744 26.475 18.478 1.00 28.50 ? 73   TRP   A CB   1 
ATOM   459  C CG   . TRP   A 1 77  ? 24.890 24.960 18.383 1.00 24.99 ? 73   TRP   A CG   1 
ATOM   460  C CD1  . TRP   A 1 77  ? 25.397 24.119 19.331 1.00 26.17 ? 73   TRP   A CD1  1 
ATOM   461  C CD2  . TRP   A 1 77  ? 24.504 24.130 17.278 1.00 25.58 ? 73   TRP   A CD2  1 
ATOM   462  N NE1  . TRP   A 1 77  ? 25.344 22.810 18.886 1.00 23.37 ? 73   TRP   A NE1  1 
ATOM   463  C CE2  . TRP   A 1 77  ? 24.801 22.795 17.628 1.00 24.34 ? 73   TRP   A CE2  1 
ATOM   464  C CE3  . TRP   A 1 77  ? 23.937 24.389 16.026 1.00 24.45 ? 73   TRP   A CE3  1 
ATOM   465  C CZ2  . TRP   A 1 77  ? 24.559 21.724 16.772 1.00 23.39 ? 73   TRP   A CZ2  1 
ATOM   466  C CZ3  . TRP   A 1 77  ? 23.688 23.320 15.175 1.00 23.70 ? 73   TRP   A CZ3  1 
ATOM   467  C CH2  . TRP   A 1 77  ? 24.003 22.005 15.551 1.00 23.21 ? 73   TRP   A CH2  1 
ATOM   468  N N    . ARG   A 1 78  ? 22.278 25.097 20.246 1.00 26.65 ? 74   ARG   A N    1 
ATOM   469  C CA   . ARG   A 1 78  ? 21.263 24.067 20.175 1.00 26.82 ? 74   ARG   A CA   1 
ATOM   470  C C    . ARG   A 1 78  ? 20.046 24.369 21.039 1.00 28.31 ? 74   ARG   A C    1 
ATOM   471  O O    . ARG   A 1 78  ? 18.983 23.787 20.806 1.00 32.08 ? 74   ARG   A O    1 
ATOM   472  C CB   . ARG   A 1 78  ? 21.916 22.739 20.603 1.00 33.44 ? 74   ARG   A CB   1 
ATOM   473  C CG   . ARG   A 1 78  ? 21.058 21.498 20.665 1.00 37.27 ? 74   ARG   A CG   1 
ATOM   474  C CD   . ARG   A 1 78  ? 21.895 20.356 21.257 1.00 27.85 ? 74   ARG   A CD   1 
ATOM   475  N NE   . ARG   A 1 78  ? 23.132 20.108 20.513 1.00 26.84 ? 74   ARG   A NE   1 
ATOM   476  C CZ   . ARG   A 1 78  ? 23.183 19.557 19.306 1.00 25.06 ? 74   ARG   A CZ   1 
ATOM   477  N NH1  . ARG   A 1 78  ? 22.081 19.287 18.624 1.00 27.21 ? 74   ARG   A NH1  1 
ATOM   478  N NH2  . ARG   A 1 78  ? 24.369 19.251 18.777 1.00 22.48 ? 74   ARG   A NH2  1 
ATOM   479  N N    . GLN   A 1 79  ? 20.173 25.259 22.023 1.00 27.74 ? 75   GLN   A N    1 
ATOM   480  C CA   . GLN   A 1 79  ? 19.106 25.513 22.988 1.00 28.76 ? 75   GLN   A CA   1 
ATOM   481  C C    . GLN   A 1 79  ? 19.335 26.892 23.583 1.00 28.98 ? 75   GLN   A C    1 
ATOM   482  O O    . GLN   A 1 79  ? 20.388 27.143 24.180 1.00 27.56 ? 75   GLN   A O    1 
ATOM   483  C CB   . GLN   A 1 79  ? 19.103 24.446 24.078 1.00 32.32 ? 75   GLN   A CB   1 
ATOM   484  C CG   . GLN   A 1 79  ? 17.895 24.488 24.977 1.00 31.28 ? 75   GLN   A CG   1 
ATOM   485  C CD   . GLN   A 1 79  ? 17.928 23.388 26.023 1.00 36.09 ? 75   GLN   A CD   1 
ATOM   486  O OE1  . GLN   A 1 79  ? 18.988 23.063 26.569 1.00 29.82 ? 75   GLN   A OE1  1 
ATOM   487  N NE2  . GLN   A 1 79  ? 16.770 22.796 26.295 1.00 36.89 ? 75   GLN   A NE2  1 
ATOM   488  N N    . GLU   A 1 80  ? 18.361 27.788 23.412 1.00 30.80 ? 76   GLU   A N    1 
ATOM   489  C CA   . GLU   A 1 80  ? 18.581 29.184 23.771 1.00 28.28 ? 76   GLU   A CA   1 
ATOM   490  C C    . GLU   A 1 80  ? 18.729 29.361 25.278 1.00 27.76 ? 76   GLU   A C    1 
ATOM   491  O O    . GLU   A 1 80  ? 19.568 30.146 25.731 1.00 27.84 ? 76   GLU   A O    1 
ATOM   492  C CB   . GLU   A 1 80  ? 17.438 30.047 23.241 1.00 33.12 ? 76   GLU   A CB   1 
ATOM   493  C CG   . GLU   A 1 80  ? 17.572 31.515 23.604 1.00 34.30 ? 76   GLU   A CG   1 
ATOM   494  C CD   . GLU   A 1 80  ? 16.531 32.386 22.921 1.00 37.33 ? 76   GLU   A CD   1 
ATOM   495  O OE1  . GLU   A 1 80  ? 15.464 31.856 22.529 1.00 36.68 ? 76   GLU   A OE1  1 
ATOM   496  O OE2  . GLU   A 1 80  ? 16.790 33.599 22.768 1.00 41.04 ? 76   GLU   A OE2  1 
ATOM   497  N N    . LYS   A 1 81  ? 17.930 28.641 26.064 1.00 31.17 ? 77   LYS   A N    1 
ATOM   498  C CA   . LYS   A 1 81  ? 17.980 28.693 27.525 1.00 32.17 ? 77   LYS   A CA   1 
ATOM   499  C C    . LYS   A 1 81  ? 18.199 27.276 28.045 1.00 29.29 ? 77   LYS   A C    1 
ATOM   500  O O    . LYS   A 1 81  ? 17.298 26.431 27.961 1.00 32.05 ? 77   LYS   A O    1 
ATOM   501  C CB   . LYS   A 1 81  ? 16.696 29.306 28.088 1.00 31.34 ? 77   LYS   A CB   1 
ATOM   502  C CG   . LYS   A 1 81  ? 16.603 29.347 29.620 1.00 36.08 ? 77   LYS   A CG   1 
ATOM   503  C CD   . LYS   A 1 81  ? 15.173 29.680 30.050 1.00 36.16 ? 77   LYS   A CD   1 
ATOM   504  C CE   . LYS   A 1 81  ? 15.022 29.744 31.569 1.00 38.99 ? 77   LYS   A CE   1 
ATOM   505  N NZ   . LYS   A 1 81  ? 15.965 30.721 32.198 1.00 39.50 ? 77   LYS   A NZ   1 
ATOM   506  N N    . ILE   A 1 82  ? 19.391 27.015 28.573 1.00 27.70 ? 78   ILE   A N    1 
ATOM   507  C CA   . ILE   A 1 82  ? 19.728 25.706 29.121 1.00 27.19 ? 78   ILE   A CA   1 
ATOM   508  C C    . ILE   A 1 82  ? 19.282 25.670 30.576 1.00 27.87 ? 78   ILE   A C    1 
ATOM   509  O O    . ILE   A 1 82  ? 19.789 26.426 31.409 1.00 31.14 ? 78   ILE   A O    1 
ATOM   510  C CB   . ILE   A 1 82  ? 21.228 25.418 28.979 1.00 26.93 ? 78   ILE   A CB   1 
ATOM   511  C CG1  . ILE   A 1 82  ? 21.550 25.201 27.492 1.00 26.36 ? 78   ILE   A CG1  1 
ATOM   512  C CG2  . ILE   A 1 82  ? 21.638 24.195 29.807 1.00 25.76 ? 78   ILE   A CG2  1 
ATOM   513  C CD1  . ILE   A 1 82  ? 23.012 25.206 27.159 1.00 26.17 ? 78   ILE   A CD1  1 
ATOM   514  N N    . THR   A 1 83  ? 18.329 24.796 30.874 1.00 29.02 ? 79   THR   A N    1 
ATOM   515  C CA   . THR   A 1 83  ? 17.729 24.747 32.196 1.00 32.30 ? 79   THR   A CA   1 
ATOM   516  C C    . THR   A 1 83  ? 18.109 23.511 32.999 1.00 32.87 ? 79   THR   A C    1 
ATOM   517  O O    . THR   A 1 83  ? 17.763 23.436 34.184 1.00 35.53 ? 79   THR   A O    1 
ATOM   518  C CB   . THR   A 1 83  ? 16.202 24.825 32.080 1.00 33.49 ? 79   THR   A CB   1 
ATOM   519  O OG1  . THR   A 1 83  ? 15.725 23.735 31.285 1.00 39.22 ? 79   THR   A OG1  1 
ATOM   520  C CG2  . THR   A 1 83  ? 15.789 26.131 31.423 1.00 35.83 ? 79   THR   A CG2  1 
ATOM   521  N N    . ARG   A 1 84  ? 18.807 22.547 32.404 1.00 31.29 ? 80   ARG   A N    1 
ATOM   522  C CA   . ARG   A 1 84  ? 19.105 21.318 33.129 1.00 28.30 ? 80   ARG   A CA   1 
ATOM   523  C C    . ARG   A 1 84  ? 20.087 21.582 34.266 1.00 30.14 ? 80   ARG   A C    1 
ATOM   524  O O    . ARG   A 1 84  ? 20.944 22.471 34.192 1.00 24.62 ? 80   ARG   A O    1 
ATOM   525  C CB   . ARG   A 1 84  ? 19.653 20.250 32.172 1.00 26.90 ? 80   ARG   A CB   1 
ATOM   526  C CG   . ARG   A 1 84  ? 21.072 20.501 31.671 1.00 26.62 ? 80   ARG   A CG   1 
ATOM   527  C CD   . ARG   A 1 84  ? 21.542 19.340 30.776 1.00 22.56 ? 80   ARG   A CD   1 
ATOM   528  N NE   . ARG   A 1 84  ? 20.812 19.267 29.512 1.00 26.92 ? 80   ARG   A NE   1 
ATOM   529  C CZ   . ARG   A 1 84  ? 21.200 19.862 28.389 1.00 23.95 ? 80   ARG   A CZ   1 
ATOM   530  N NH1  . ARG   A 1 84  ? 22.286 20.626 28.348 1.00 21.83 ? 80   ARG   A NH1  1 
ATOM   531  N NH2  . ARG   A 1 84  ? 20.486 19.680 27.277 1.00 25.08 ? 80   ARG   A NH2  1 
ATOM   532  N N    . THR   A 1 85  ? 19.943 20.807 35.342 1.00 26.60 ? 81   THR   A N    1 
ATOM   533  C CA   . THR   A 1 85  ? 20.853 20.933 36.465 1.00 30.21 ? 81   THR   A CA   1 
ATOM   534  C C    . THR   A 1 85  ? 22.204 20.311 36.138 1.00 26.48 ? 81   THR   A C    1 
ATOM   535  O O    . THR   A 1 85  ? 22.340 19.481 35.231 1.00 25.85 ? 81   THR   A O    1 
ATOM   536  C CB   . THR   A 1 85  ? 20.279 20.267 37.720 1.00 28.23 ? 81   THR   A CB   1 
ATOM   537  O OG1  . THR   A 1 85  ? 20.208 18.843 37.531 1.00 28.43 ? 81   THR   A OG1  1 
ATOM   538  C CG2  . THR   A 1 85  ? 18.893 20.804 38.002 1.00 32.83 ? 81   THR   A CG2  1 
ATOM   539  N N    . LYS   A 1 86  ? 23.214 20.732 36.896 1.00 25.43 ? 82   LYS   A N    1 
ATOM   540  C CA   . LYS   A 1 86  ? 24.533 20.120 36.778 1.00 25.42 ? 82   LYS   A CA   1 
ATOM   541  C C    . LYS   A 1 86  ? 24.464 18.613 37.000 1.00 29.07 ? 82   LYS   A C    1 
ATOM   542  O O    . LYS   A 1 86  ? 25.184 17.844 36.350 1.00 24.86 ? 82   LYS   A O    1 
ATOM   543  C CB   . LYS   A 1 86  ? 25.501 20.778 37.761 1.00 28.07 ? 82   LYS   A CB   1 
ATOM   544  C CG   . LYS   A 1 86  ? 26.917 20.206 37.722 1.00 32.26 ? 82   LYS   A CG   1 
ATOM   545  C CD   . LYS   A 1 86  ? 27.751 20.594 38.960 1.00 41.73 ? 82   LYS   A CD   1 
ATOM   546  C CE   . LYS   A 1 86  ? 28.533 21.899 38.771 1.00 45.27 ? 82   LYS   A CE   1 
ATOM   547  N NZ   . LYS   A 1 86  ? 29.685 22.028 39.735 1.00 38.94 ? 82   LYS   A NZ   1 
ATOM   548  N N    . GLU   A 1 87  ? 23.598 18.167 37.915 1.00 27.64 ? 83   GLU   A N    1 
ATOM   549  C CA   . GLU   A 1 87  ? 23.464 16.738 38.165 1.00 27.31 ? 83   GLU   A CA   1 
ATOM   550  C C    . GLU   A 1 87  ? 22.833 16.027 36.973 1.00 27.23 ? 83   GLU   A C    1 
ATOM   551  O O    . GLU   A 1 87  ? 23.230 14.904 36.622 1.00 25.54 ? 83   GLU   A O    1 
ATOM   552  C CB   . GLU   A 1 87  ? 22.642 16.530 39.438 1.00 28.26 ? 83   GLU   A CB   1 
ATOM   553  C CG   . GLU   A 1 87  ? 23.322 17.079 40.714 1.00 33.17 ? 83   GLU   A CG   1 
ATOM   554  C CD   . GLU   A 1 87  ? 23.339 18.615 40.825 1.00 35.79 ? 83   GLU   A CD   1 
ATOM   555  O OE1  . GLU   A 1 87  ? 22.485 19.301 40.207 1.00 31.31 ? 83   GLU   A OE1  1 
ATOM   556  O OE2  . GLU   A 1 87  ? 24.216 19.139 41.553 1.00 40.86 ? 83   GLU   A OE2  1 
ATOM   557  N N    . GLU   A 1 88  ? 21.845 16.665 36.339 1.00 26.00 ? 84   GLU   A N    1 
ATOM   558  C CA   . GLU   A 1 88  ? 21.245 16.119 35.126 1.00 27.08 ? 84   GLU   A CA   1 
ATOM   559  C C    . GLU   A 1 88  ? 22.247 16.077 33.975 1.00 23.72 ? 84   GLU   A C    1 
ATOM   560  O O    . GLU   A 1 88  ? 22.234 15.143 33.165 1.00 22.00 ? 84   GLU   A O    1 
ATOM   561  C CB   . GLU   A 1 88  ? 20.020 16.952 34.735 1.00 27.80 ? 84   GLU   A CB   1 
ATOM   562  C CG   . GLU   A 1 88  ? 18.764 16.620 35.533 1.00 31.12 ? 84   GLU   A CG   1 
ATOM   563  C CD   . GLU   A 1 88  ? 17.675 17.683 35.434 1.00 35.50 ? 84   GLU   A CD   1 
ATOM   564  O OE1  . GLU   A 1 88  ? 17.946 18.796 34.927 1.00 33.09 ? 84   GLU   A OE1  1 
ATOM   565  O OE2  . GLU   A 1 88  ? 16.539 17.392 35.879 1.00 36.63 ? 84   GLU   A OE2  1 
ATOM   566  N N    . ALA   A 1 89  ? 23.113 17.085 33.881 1.00 22.11 ? 85   ALA   A N    1 
ATOM   567  C CA   . ALA   A 1 89  ? 24.112 17.091 32.816 1.00 21.71 ? 85   ALA   A CA   1 
ATOM   568  C C    . ALA   A 1 89  ? 25.115 15.964 33.005 1.00 22.09 ? 85   ALA   A C    1 
ATOM   569  O O    . ALA   A 1 89  ? 25.536 15.329 32.029 1.00 21.70 ? 85   ALA   A O    1 
ATOM   570  C CB   . ALA   A 1 89  ? 24.818 18.445 32.773 1.00 21.67 ? 85   ALA   A CB   1 
ATOM   571  N N    . LEU   A 1 90  ? 25.504 15.690 34.253 1.00 22.10 ? 86   LEU   A N    1 
ATOM   572  C CA   . LEU   A 1 90  ? 26.442 14.597 34.489 1.00 18.87 ? 86   LEU   A CA   1 
ATOM   573  C C    . LEU   A 1 90  ? 25.811 13.255 34.138 1.00 21.57 ? 86   LEU   A C    1 
ATOM   574  O O    . LEU   A 1 90  ? 26.490 12.365 33.617 1.00 20.88 ? 86   LEU   A O    1 
ATOM   575  C CB   . LEU   A 1 90  ? 26.914 14.611 35.947 1.00 19.14 ? 86   LEU   A CB   1 
ATOM   576  C CG   . LEU   A 1 90  ? 27.938 13.552 36.346 1.00 20.22 ? 86   LEU   A CG   1 
ATOM   577  C CD1  . LEU   A 1 90  ? 29.178 13.627 35.454 1.00 18.30 ? 86   LEU   A CD1  1 
ATOM   578  C CD2  . LEU   A 1 90  ? 28.335 13.706 37.800 1.00 22.97 ? 86   LEU   A CD2  1 
ATOM   579  N N    . GLU   A 1 91  ? 24.517 13.076 34.437 1.00 20.55 ? 87   GLU   A N    1 
ATOM   580  C CA   . GLU   A 1 91  ? 23.853 11.826 34.069 1.00 26.15 ? 87   GLU   A CA   1 
ATOM   581  C C    . GLU   A 1 91  ? 23.806 11.649 32.557 1.00 24.75 ? 87   GLU   A C    1 
ATOM   582  O O    . GLU   A 1 91  ? 24.003 10.534 32.044 1.00 21.09 ? 87   GLU   A O    1 
ATOM   583  C CB   . GLU   A 1 91  ? 22.450 11.773 34.678 1.00 29.92 ? 87   GLU   A CB   1 
ATOM   584  C CG   . GLU   A 1 91  ? 22.491 11.761 36.210 1.00 37.42 ? 87   GLU   A CG   1 
ATOM   585  C CD   . GLU   A 1 91  ? 21.117 11.856 36.875 1.00 47.19 ? 87   GLU   A CD   1 
ATOM   586  O OE1  . GLU   A 1 91  ? 20.104 12.009 36.156 1.00 46.78 ? 87   GLU   A OE1  1 
ATOM   587  O OE2  . GLU   A 1 91  ? 21.057 11.780 38.128 1.00 49.37 ? 87   GLU   A OE2  1 
ATOM   588  N N    . LEU   A 1 92  ? 23.551 12.735 31.823 1.00 22.02 ? 88   LEU   A N    1 
ATOM   589  C CA   . LEU   A 1 92  ? 23.580 12.661 30.366 1.00 22.32 ? 88   LEU   A CA   1 
ATOM   590  C C    . LEU   A 1 92  ? 24.959 12.264 29.869 1.00 19.75 ? 88   LEU   A C    1 
ATOM   591  O O    . LEU   A 1 92  ? 25.090 11.374 29.016 1.00 18.29 ? 88   LEU   A O    1 
ATOM   592  C CB   . LEU   A 1 92  ? 23.165 14.001 29.757 1.00 22.40 ? 88   LEU   A CB   1 
ATOM   593  C CG   . LEU   A 1 92  ? 21.671 14.321 29.772 1.00 27.83 ? 88   LEU   A CG   1 
ATOM   594  C CD1  . LEU   A 1 92  ? 21.442 15.790 29.427 1.00 25.80 ? 88   LEU   A CD1  1 
ATOM   595  C CD2  . LEU   A 1 92  ? 20.933 13.423 28.801 1.00 25.46 ? 88   LEU   A CD2  1 
ATOM   596  N N    . ILE   A 1 93  ? 26.001 12.938 30.374 1.00 17.75 ? 89   ILE   A N    1 
ATOM   597  C CA   . ILE   A 1 93  ? 27.378 12.638 29.979 1.00 17.10 ? 89   ILE   A CA   1 
ATOM   598  C C    . ILE   A 1 93  ? 27.697 11.176 30.253 1.00 19.91 ? 89   ILE   A C    1 
ATOM   599  O O    . ILE   A 1 93  ? 28.299 10.483 29.426 1.00 18.21 ? 89   ILE   A O    1 
ATOM   600  C CB   . ILE   A 1 93  ? 28.363 13.570 30.719 1.00 18.12 ? 89   ILE   A CB   1 
ATOM   601  C CG1  . ILE   A 1 93  ? 28.367 14.978 30.120 1.00 20.73 ? 89   ILE   A CG1  1 
ATOM   602  C CG2  . ILE   A 1 93  ? 29.773 12.955 30.820 1.00 17.61 ? 89   ILE   A CG2  1 
ATOM   603  C CD1  . ILE   A 1 93  ? 29.267 15.133 28.895 1.00 16.54 ? 89   ILE   A CD1  1 
ATOM   604  N N    . ASN   A 1 94  ? 27.316 10.689 31.435 1.00 18.00 ? 90   ASN   A N    1 
ATOM   605  C CA   . ASN   A 1 94  ? 27.646 9.315  31.789 1.00 19.83 ? 90   ASN   A CA   1 
ATOM   606  C C    . ASN   A 1 94  ? 26.934 8.324  30.881 1.00 19.46 ? 90   ASN   A C    1 
ATOM   607  O O    . ASN   A 1 94  ? 27.487 7.266  30.556 1.00 17.91 ? 90   ASN   A O    1 
ATOM   608  C CB   . ASN   A 1 94  ? 27.312 9.080  33.258 1.00 22.15 ? 90   ASN   A CB   1 
ATOM   609  C CG   . ASN   A 1 94  ? 28.366 9.663  34.174 1.00 23.65 ? 90   ASN   A CG   1 
ATOM   610  O OD1  . ASN   A 1 94  ? 29.537 9.774  33.785 1.00 25.87 ? 90   ASN   A OD1  1 
ATOM   611  N ND2  . ASN   A 1 94  ? 27.969 10.046 35.389 1.00 25.38 ? 90   ASN   A ND2  1 
ATOM   612  N N    . GLY   A 1 95  ? 25.733 8.667  30.425 1.00 18.74 ? 91   GLY   A N    1 
ATOM   613  C CA   . GLY   A 1 95  ? 25.061 7.832  29.449 1.00 19.45 ? 91   GLY   A CA   1 
ATOM   614  C C    . GLY   A 1 95  ? 25.755 7.836  28.103 1.00 20.48 ? 91   GLY   A C    1 
ATOM   615  O O    . GLY   A 1 95  ? 25.852 6.797  27.446 1.00 18.59 ? 91   GLY   A O    1 
ATOM   616  N N    . TYR   A 1 96  ? 26.246 9.004  27.666 1.00 17.60 ? 92   TYR   A N    1 
ATOM   617  C CA   . TYR   A 1 96  ? 26.953 9.035  26.388 1.00 15.66 ? 92   TYR   A CA   1 
ATOM   618  C C    . TYR   A 1 96  ? 28.249 8.245  26.472 1.00 14.76 ? 92   TYR   A C    1 
ATOM   619  O O    . TYR   A 1 96  ? 28.617 7.547  25.520 1.00 15.05 ? 92   TYR   A O    1 
ATOM   620  C CB   . TYR   A 1 96  ? 27.249 10.472 25.945 1.00 16.48 ? 92   TYR   A CB   1 
ATOM   621  C CG   . TYR   A 1 96  ? 26.031 11.349 25.789 1.00 18.80 ? 92   TYR   A CG   1 
ATOM   622  C CD1  . TYR   A 1 96  ? 24.810 10.826 25.365 1.00 21.37 ? 92   TYR   A CD1  1 
ATOM   623  C CD2  . TYR   A 1 96  ? 26.106 12.715 26.049 1.00 17.23 ? 92   TYR   A CD2  1 
ATOM   624  C CE1  . TYR   A 1 96  ? 23.699 11.648 25.218 1.00 21.43 ? 92   TYR   A CE1  1 
ATOM   625  C CE2  . TYR   A 1 96  ? 24.996 13.536 25.902 1.00 16.91 ? 92   TYR   A CE2  1 
ATOM   626  C CZ   . TYR   A 1 96  ? 23.805 13.000 25.504 1.00 22.67 ? 92   TYR   A CZ   1 
ATOM   627  O OH   . TYR   A 1 96  ? 22.713 13.830 25.373 1.00 25.04 ? 92   TYR   A OH   1 
ATOM   628  N N    . ILE   A 1 97  ? 28.944 8.336  27.607 1.00 16.73 ? 93   ILE   A N    1 
ATOM   629  C CA   . ILE   A 1 97  ? 30.173 7.570  27.790 1.00 15.17 ? 93   ILE   A CA   1 
ATOM   630  C C    . ILE   A 1 97  ? 29.881 6.076  27.707 1.00 16.05 ? 93   ILE   A C    1 
ATOM   631  O O    . ILE   A 1 97  ? 30.597 5.321  27.035 1.00 15.45 ? 93   ILE   A O    1 
ATOM   632  C CB   . ILE   A 1 97  ? 30.844 7.947  29.121 1.00 14.08 ? 93   ILE   A CB   1 
ATOM   633  C CG1  . ILE   A 1 97  ? 31.449 9.352  29.017 1.00 17.05 ? 93   ILE   A CG1  1 
ATOM   634  C CG2  . ILE   A 1 97  ? 31.933 6.950  29.465 1.00 16.60 ? 93   ILE   A CG2  1 
ATOM   635  C CD1  . ILE   A 1 97  ? 32.005 9.858  30.354 1.00 16.89 ? 93   ILE   A CD1  1 
ATOM   636  N N    . GLN   A 1 98  ? 28.829 5.622  28.396 1.00 16.59 ? 94   GLN   A N    1 
ATOM   637  C CA   . GLN   A 1 98  ? 28.482 4.203  28.320 1.00 16.03 ? 94   GLN   A CA   1 
ATOM   638  C C    . GLN   A 1 98  ? 28.241 3.769  26.885 1.00 19.51 ? 94   GLN   A C    1 
ATOM   639  O O    . GLN   A 1 98  ? 28.728 2.716  26.454 1.00 17.92 ? 94   GLN   A O    1 
ATOM   640  C CB   . GLN   A 1 98  ? 27.252 3.907  29.169 1.00 19.54 ? 94   GLN   A CB   1 
ATOM   641  C CG   . GLN   A 1 98  ? 27.540 3.956  30.630 1.00 23.00 ? 94   GLN   A CG   1 
ATOM   642  C CD   . GLN   A 1 98  ? 26.377 3.470  31.443 1.00 29.64 ? 94   GLN   A CD   1 
ATOM   643  O OE1  . GLN   A 1 98  ? 25.228 3.544  31.003 1.00 34.10 ? 94   GLN   A OE1  1 
ATOM   644  N NE2  . GLN   A 1 98  ? 26.662 2.959  32.638 1.00 31.16 ? 94   GLN   A NE2  1 
ATOM   645  N N    . LYS   A 1 99  ? 27.493 4.568  26.125 1.00 18.78 ? 95   LYS   A N    1 
ATOM   646  C CA   . LYS   A 1 99  ? 27.176 4.173  24.762 1.00 18.55 ? 95   LYS   A CA   1 
ATOM   647  C C    . LYS   A 1 99  ? 28.415 4.157  23.887 1.00 19.18 ? 95   LYS   A C    1 
ATOM   648  O O    . LYS   A 1 99  ? 28.571 3.262  23.057 1.00 18.98 ? 95   LYS   A O    1 
ATOM   649  C CB   . LYS   A 1 99  ? 26.115 5.098  24.173 1.00 22.05 ? 95   LYS   A CB   1 
ATOM   650  C CG   . LYS   A 1 99  ? 24.723 4.798  24.721 1.00 31.14 ? 95   LYS   A CG   1 
ATOM   651  C CD   . LYS   A 1 99  ? 23.619 5.156  23.741 1.00 40.16 ? 95   LYS   A CD   1 
ATOM   652  C CE   . LYS   A 1 99  ? 22.280 4.623  24.229 1.00 44.02 ? 95   LYS   A CE   1 
ATOM   653  N NZ   . LYS   A 1 99  ? 21.143 5.213  23.477 1.00 52.43 ? 95   LYS   A NZ   1 
ATOM   654  N N    . ILE   A 1 100 ? 29.311 5.135  24.053 1.00 17.23 ? 96   ILE   A N    1 
ATOM   655  C CA   . ILE   A 1 100 ? 30.528 5.145  23.246 1.00 14.53 ? 96   ILE   A CA   1 
ATOM   656  C C    . ILE   A 1 100 ? 31.446 3.985  23.636 1.00 15.96 ? 96   ILE   A C    1 
ATOM   657  O O    . ILE   A 1 100 ? 32.028 3.322  22.771 1.00 18.62 ? 96   ILE   A O    1 
ATOM   658  C CB   . ILE   A 1 100 ? 31.235 6.513  23.369 1.00 14.94 ? 96   ILE   A CB   1 
ATOM   659  C CG1  . ILE   A 1 100 ? 30.353 7.621  22.769 1.00 16.79 ? 96   ILE   A CG1  1 
ATOM   660  C CG2  . ILE   A 1 100 ? 32.577 6.494  22.668 1.00 16.35 ? 96   ILE   A CG2  1 
ATOM   661  C CD1  . ILE   A 1 100 ? 30.728 9.042  23.274 1.00 16.65 ? 96   ILE   A CD1  1 
ATOM   662  N N    . LYS   A 1 101 ? 31.612 3.737  24.938 1.00 15.62 ? 97   LYS   A N    1 
ATOM   663  C CA   . LYS   A 1 101 ? 32.502 2.650  25.354 1.00 16.03 ? 97   LYS   A CA   1 
ATOM   664  C C    . LYS   A 1 101 ? 31.960 1.291  24.947 1.00 19.95 ? 97   LYS   A C    1 
ATOM   665  O O    . LYS   A 1 101 ? 32.737 0.361  24.681 1.00 19.25 ? 97   LYS   A O    1 
ATOM   666  C CB   . LYS   A 1 101 ? 32.711 2.684  26.865 1.00 20.54 ? 97   LYS   A CB   1 
ATOM   667  C CG   . LYS   A 1 101 ? 33.670 3.735  27.356 1.00 19.02 ? 97   LYS   A CG   1 
ATOM   668  C CD   . LYS   A 1 101 ? 33.913 3.437  28.817 1.00 24.87 ? 97   LYS   A CD   1 
ATOM   669  C CE   . LYS   A 1 101 ? 35.142 4.123  29.360 1.00 26.85 ? 97   LYS   A CE   1 
ATOM   670  N NZ   . LYS   A 1 101 ? 35.398 3.600  30.747 1.00 23.67 ? 97   LYS   A NZ   1 
ATOM   671  N N    . SER   A 1 102 ? 30.639 1.162  24.900 1.00 17.25 ? 98   SER   A N    1 
ATOM   672  C CA   . SER   A 1 102 ? 30.021 -0.093 24.502 1.00 17.98 ? 98   SER   A CA   1 
ATOM   673  C C    . SER   A 1 102 ? 30.309 -0.429 23.049 1.00 22.73 ? 98   SER   A C    1 
ATOM   674  O O    . SER   A 1 102 ? 30.181 -1.594 22.658 1.00 25.27 ? 98   SER   A O    1 
ATOM   675  C CB   . SER   A 1 102 ? 28.516 -0.020 24.734 1.00 21.04 ? 98   SER   A CB   1 
ATOM   676  O OG   . SER   A 1 102 ? 27.877 0.674  23.666 1.00 21.27 ? 98   SER   A OG   1 
ATOM   677  N N    . GLY   A 1 103 ? 30.705 0.564  22.241 1.00 21.86 ? 99   GLY   A N    1 
ATOM   678  C CA   . GLY   A 1 103 ? 30.863 0.388  20.816 1.00 21.88 ? 99   GLY   A CA   1 
ATOM   679  C C    . GLY   A 1 103 ? 29.602 0.613  20.012 1.00 24.27 ? 99   GLY   A C    1 
ATOM   680  O O    . GLY   A 1 103 ? 29.664 0.644  18.772 1.00 25.96 ? 99   GLY   A O    1 
ATOM   681  N N    . GLU   A 1 104 ? 28.465 0.787  20.680 1.00 23.24 ? 100  GLU   A N    1 
ATOM   682  C CA   . GLU   A 1 104 ? 27.189 0.939  19.995 1.00 25.78 ? 100  GLU   A CA   1 
ATOM   683  C C    . GLU   A 1 104 ? 27.110 2.244  19.210 1.00 28.53 ? 100  GLU   A C    1 
ATOM   684  O O    . GLU   A 1 104 ? 26.448 2.298  18.169 1.00 28.30 ? 100  GLU   A O    1 
ATOM   685  C CB   . GLU   A 1 104 ? 26.067 0.866  21.020 1.00 29.16 ? 100  GLU   A CB   1 
ATOM   686  C CG   . GLU   A 1 104 ? 24.676 0.958  20.447 1.00 39.24 ? 100  GLU   A CG   1 
ATOM   687  C CD   . GLU   A 1 104 ? 23.619 0.964  21.534 1.00 48.42 ? 100  GLU   A CD   1 
ATOM   688  O OE1  . GLU   A 1 104 ? 23.976 0.732  22.710 1.00 46.05 ? 100  GLU   A OE1  1 
ATOM   689  O OE2  . GLU   A 1 104 ? 22.435 1.205  21.214 1.00 59.38 ? 100  GLU   A OE2  1 
ATOM   690  N N    . GLU   A 1 105 ? 27.761 3.299  19.693 1.00 25.27 ? 101  GLU   A N    1 
ATOM   691  C CA   . GLU   A 1 105 ? 27.768 4.602  19.037 1.00 23.02 ? 101  GLU   A CA   1 
ATOM   692  C C    . GLU   A 1 105 ? 29.196 5.120  18.994 1.00 22.32 ? 101  GLU   A C    1 
ATOM   693  O O    . GLU   A 1 105 ? 29.946 4.960  19.962 1.00 21.76 ? 101  GLU   A O    1 
ATOM   694  C CB   . GLU   A 1 105 ? 26.884 5.622  19.781 1.00 29.60 ? 101  GLU   A CB   1 
ATOM   695  C CG   . GLU   A 1 105 ? 25.394 5.338  19.761 1.00 33.33 ? 101  GLU   A CG   1 
ATOM   696  C CD   . GLU   A 1 105 ? 24.700 5.984  18.579 1.00 38.10 ? 101  GLU   A CD   1 
ATOM   697  O OE1  . GLU   A 1 105 ? 25.341 6.155  17.519 1.00 37.73 ? 101  GLU   A OE1  1 
ATOM   698  O OE2  . GLU   A 1 105 ? 23.514 6.341  18.719 1.00 45.56 ? 101  GLU   A OE2  1 
ATOM   699  N N    . ASP   A 1 106 ? 29.566 5.740  17.874 1.00 18.51 ? 102  ASP   A N    1 
ATOM   700  C CA   . ASP   A 1 106 ? 30.834 6.453  17.766 1.00 21.22 ? 102  ASP   A CA   1 
ATOM   701  C C    . ASP   A 1 106 ? 30.763 7.765  18.536 1.00 16.87 ? 102  ASP   A C    1 
ATOM   702  O O    . ASP   A 1 106 ? 29.715 8.412  18.602 1.00 20.79 ? 102  ASP   A O    1 
ATOM   703  C CB   . ASP   A 1 106 ? 31.162 6.791  16.304 1.00 22.10 ? 102  ASP   A CB   1 
ATOM   704  C CG   . ASP   A 1 106 ? 31.446 5.572  15.444 1.00 32.20 ? 102  ASP   A CG   1 
ATOM   705  O OD1  . ASP   A 1 106 ? 31.940 4.539  15.963 1.00 31.65 ? 102  ASP   A OD1  1 
ATOM   706  O OD2  . ASP   A 1 106 ? 31.192 5.678  14.218 1.00 31.45 ? 102  ASP   A OD2  1 
ATOM   707  N N    . PHE   A 1 107 ? 31.900 8.163  19.110 1.00 16.03 ? 103  PHE   A N    1 
ATOM   708  C CA   . PHE   A 1 107 ? 32.015 9.494  19.700 1.00 17.77 ? 103  PHE   A CA   1 
ATOM   709  C C    . PHE   A 1 107 ? 31.478 10.568 18.761 1.00 17.68 ? 103  PHE   A C    1 
ATOM   710  O O    . PHE   A 1 107 ? 30.685 11.426 19.161 1.00 18.49 ? 103  PHE   A O    1 
ATOM   711  C CB   . PHE   A 1 107 ? 33.473 9.781  20.050 1.00 16.83 ? 103  PHE   A CB   1 
ATOM   712  C CG   . PHE   A 1 107 ? 33.699 11.177 20.561 1.00 18.41 ? 103  PHE   A CG   1 
ATOM   713  C CD1  . PHE   A 1 107 ? 33.939 12.217 19.670 1.00 22.29 ? 103  PHE   A CD1  1 
ATOM   714  C CD2  . PHE   A 1 107 ? 33.618 11.450 21.905 1.00 21.78 ? 103  PHE   A CD2  1 
ATOM   715  C CE1  . PHE   A 1 107 ? 34.126 13.506 20.125 1.00 22.53 ? 103  PHE   A CE1  1 
ATOM   716  C CE2  . PHE   A 1 107 ? 33.809 12.738 22.373 1.00 20.98 ? 103  PHE   A CE2  1 
ATOM   717  C CZ   . PHE   A 1 107 ? 34.057 13.764 21.473 1.00 20.21 ? 103  PHE   A CZ   1 
ATOM   718  N N    . GLU   A 1 108 ? 31.918 10.544 17.502 1.00 17.66 ? 104  GLU   A N    1 
ATOM   719  C CA   . GLU   A 1 108 ? 31.504 11.574 16.551 1.00 17.73 ? 104  GLU   A CA   1 
ATOM   720  C C    . GLU   A 1 108 ? 29.992 11.675 16.445 1.00 19.35 ? 104  GLU   A C    1 
ATOM   721  O O    . GLU   A 1 108 ? 29.449 12.771 16.257 1.00 21.08 ? 104  GLU   A O    1 
ATOM   722  C CB   . GLU   A 1 108 ? 32.088 11.266 15.176 1.00 17.71 ? 104  GLU   A CB   1 
ATOM   723  C CG   . GLU   A 1 108 ? 33.590 11.384 15.090 1.00 23.84 ? 104  GLU   A CG   1 
ATOM   724  C CD   . GLU   A 1 108 ? 34.307 10.087 15.418 1.00 26.48 ? 104  GLU   A CD   1 
ATOM   725  O OE1  . GLU   A 1 108 ? 33.707 9.199  16.073 1.00 22.20 ? 104  GLU   A OE1  1 
ATOM   726  O OE2  . GLU   A 1 108 ? 35.481 9.969  15.030 1.00 26.38 ? 104  GLU   A OE2  1 
ATOM   727  N N    . SER   A 1 109 ? 29.304 10.531 16.487 1.00 18.88 ? 105  SER   A N    1 
ATOM   728  C CA   . SER   A 1 109 ? 27.863 10.518 16.303 1.00 17.96 ? 105  SER   A CA   1 
ATOM   729  C C    . SER   A 1 109 ? 27.164 11.227 17.457 1.00 21.00 ? 105  SER   A C    1 
ATOM   730  O O    . SER   A 1 109 ? 26.224 12.002 17.244 1.00 19.19 ? 105  SER   A O    1 
ATOM   731  C CB   . SER   A 1 109 ? 27.387 9.075  16.169 1.00 25.47 ? 105  SER   A CB   1 
ATOM   732  O OG   . SER   A 1 109 ? 25.981 9.015  16.146 1.00 35.73 ? 105  SER   A OG   1 
ATOM   733  N N    . LEU   A 1 110 ? 27.619 10.990 18.682 1.00 17.44 ? 106  LEU   A N    1 
ATOM   734  C CA   . LEU   A 1 110 ? 27.004 11.676 19.814 1.00 16.38 ? 106  LEU   A CA   1 
ATOM   735  C C    . LEU   A 1 110 ? 27.457 13.129 19.930 1.00 18.48 ? 106  LEU   A C    1 
ATOM   736  O O    . LEU   A 1 110 ? 26.667 13.985 20.354 1.00 18.37 ? 106  LEU   A O    1 
ATOM   737  C CB   . LEU   A 1 110 ? 27.294 10.918 21.109 1.00 17.81 ? 106  LEU   A CB   1 
ATOM   738  C CG   . LEU   A 1 110 ? 26.759 9.481  21.188 1.00 21.33 ? 106  LEU   A CG   1 
ATOM   739  C CD1  . LEU   A 1 110 ? 26.897 8.930  22.598 1.00 17.16 ? 106  LEU   A CD1  1 
ATOM   740  C CD2  . LEU   A 1 110 ? 25.323 9.405  20.745 1.00 21.01 ? 106  LEU   A CD2  1 
ATOM   741  N N    . ALA   A 1 111 ? 28.707 13.442 19.586 1.00 14.98 ? 107  ALA   A N    1 
ATOM   742  C CA   . ALA   A 1 111 ? 29.113 14.844 19.574 1.00 14.22 ? 107  ALA   A CA   1 
ATOM   743  C C    . ALA   A 1 111 ? 28.247 15.641 18.592 1.00 18.86 ? 107  ALA   A C    1 
ATOM   744  O O    . ALA   A 1 111 ? 27.681 16.690 18.944 1.00 17.10 ? 107  ALA   A O    1 
ATOM   745  C CB   . ALA   A 1 111 ? 30.605 14.965 19.242 1.00 16.66 ? 107  ALA   A CB   1 
ATOM   746  N N    . SER   A 1 112 ? 28.078 15.128 17.371 1.00 16.66 ? 108  SER   A N    1 
ATOM   747  C CA   . SER   A 1 112 ? 27.260 15.846 16.393 1.00 19.17 ? 108  SER   A CA   1 
ATOM   748  C C    . SER   A 1 112 ? 25.841 16.058 16.896 1.00 19.27 ? 108  SER   A C    1 
ATOM   749  O O    . SER   A 1 112 ? 25.266 17.139 16.726 1.00 20.09 ? 108  SER   A O    1 
ATOM   750  C CB   . SER   A 1 112 ? 27.206 15.091 15.063 1.00 18.97 ? 108  SER   A CB   1 
ATOM   751  O OG   . SER   A 1 112 ? 28.499 14.901 14.527 1.00 21.75 ? 108  SER   A OG   1 
ATOM   752  N N    . GLN   A 1 113 ? 25.252 15.036 17.510 1.00 20.45 ? 109  GLN   A N    1 
ATOM   753  C CA   . GLN   A 1 113 ? 23.835 15.099 17.852 1.00 22.98 ? 109  GLN   A CA   1 
ATOM   754  C C    . GLN   A 1 113 ? 23.552 15.861 19.140 1.00 22.78 ? 109  GLN   A C    1 
ATOM   755  O O    . GLN   A 1 113 ? 22.458 16.415 19.281 1.00 23.70 ? 109  GLN   A O    1 
ATOM   756  C CB   . GLN   A 1 113 ? 23.265 13.691 17.980 1.00 22.65 ? 109  GLN   A CB   1 
ATOM   757  C CG   . GLN   A 1 113 ? 23.224 12.933 16.658 1.00 25.32 ? 109  GLN   A CG   1 
ATOM   758  C CD   . GLN   A 1 113 ? 22.739 11.511 16.826 1.00 32.28 ? 109  GLN   A CD   1 
ATOM   759  O OE1  . GLN   A 1 113 ? 23.526 10.568 16.752 1.00 37.72 ? 109  GLN   A OE1  1 
ATOM   760  N NE2  . GLN   A 1 113 ? 21.439 11.345 17.041 1.00 29.74 ? 109  GLN   A NE2  1 
ATOM   761  N N    . PHE   A 1 114 ? 24.486 15.886 20.095 1.00 20.79 ? 110  PHE   A N    1 
ATOM   762  C CA   . PHE   A 1 114 ? 24.143 16.341 21.444 1.00 21.28 ? 110  PHE   A CA   1 
ATOM   763  C C    . PHE   A 1 114 ? 25.064 17.387 22.056 1.00 20.47 ? 110  PHE   A C    1 
ATOM   764  O O    . PHE   A 1 114 ? 24.697 17.965 23.090 1.00 22.70 ? 110  PHE   A O    1 
ATOM   765  C CB   . PHE   A 1 114 ? 24.068 15.140 22.399 1.00 22.35 ? 110  PHE   A CB   1 
ATOM   766  C CG   . PHE   A 1 114 ? 23.061 14.121 21.985 1.00 23.05 ? 110  PHE   A CG   1 
ATOM   767  C CD1  . PHE   A 1 114 ? 21.710 14.424 21.987 1.00 24.68 ? 110  PHE   A CD1  1 
ATOM   768  C CD2  . PHE   A 1 114 ? 23.464 12.859 21.567 1.00 25.21 ? 110  PHE   A CD2  1 
ATOM   769  C CE1  . PHE   A 1 114 ? 20.776 13.480 21.581 1.00 29.40 ? 110  PHE   A CE1  1 
ATOM   770  C CE2  . PHE   A 1 114 ? 22.542 11.914 21.164 1.00 26.58 ? 110  PHE   A CE2  1 
ATOM   771  C CZ   . PHE   A 1 114 ? 21.193 12.221 21.174 1.00 29.80 ? 110  PHE   A CZ   1 
ATOM   772  N N    . SER   A 1 115 ? 26.226 17.663 21.480 1.00 17.47 ? 111  SER   A N    1 
ATOM   773  C CA   . SER   A 1 115 ? 27.125 18.625 22.097 1.00 17.78 ? 111  SER   A CA   1 
ATOM   774  C C    . SER   A 1 115 ? 26.522 20.028 22.054 1.00 20.63 ? 111  SER   A C    1 
ATOM   775  O O    . SER   A 1 115 ? 25.977 20.450 21.030 1.00 20.19 ? 111  SER   A O    1 
ATOM   776  C CB   . SER   A 1 115 ? 28.484 18.610 21.411 1.00 15.70 ? 111  SER   A CB   1 
ATOM   777  O OG   . SER   A 1 115 ? 29.396 19.493 22.053 1.00 16.66 ? 111  SER   A OG   1 
ATOM   778  N N    . ASP   A 1 116 ? 26.618 20.741 23.186 1.00 19.66 ? 112  ASP   A N    1 
ATOM   779  C CA   . ASP   A 1 116 ? 26.171 22.129 23.327 1.00 20.14 ? 112  ASP   A CA   1 
ATOM   780  C C    . ASP   A 1 116 ? 27.246 23.120 22.898 1.00 24.52 ? 112  ASP   A C    1 
ATOM   781  O O    . ASP   A 1 116 ? 27.269 24.264 23.361 1.00 31.69 ? 112  ASP   A O    1 
ATOM   782  C CB   . ASP   A 1 116 ? 25.802 22.424 24.788 1.00 19.22 ? 112  ASP   A CB   1 
ATOM   783  C CG   . ASP   A 1 116 ? 24.400 21.978 25.157 1.00 20.51 ? 112  ASP   A CG   1 
ATOM   784  O OD1  . ASP   A 1 116 ? 23.451 22.212 24.382 1.00 25.02 ? 112  ASP   A OD1  1 
ATOM   785  O OD2  . ASP   A 1 116 ? 24.234 21.400 26.270 1.00 21.26 ? 112  ASP   A OD2  1 
ATOM   786  N N    . CYS   A 1 117 ? 28.161 22.687 22.044 1.00 22.14 ? 113  CYS   A N    1 
ATOM   787  C CA   . CYS   A 1 117 ? 29.188 23.526 21.454 1.00 19.64 ? 113  CYS   A CA   1 
ATOM   788  C C    . CYS   A 1 117 ? 28.989 23.476 19.948 1.00 21.35 ? 113  CYS   A C    1 
ATOM   789  O O    . CYS   A 1 117 ? 28.619 22.433 19.411 1.00 19.49 ? 113  CYS   A O    1 
ATOM   790  C CB   . CYS   A 1 117 ? 30.594 23.017 21.811 1.00 18.42 ? 113  CYS   A CB   1 
ATOM   791  S SG   . CYS   A 1 117 ? 31.993 23.914 21.120 1.00 24.28 ? 113  CYS   A SG   1 
ATOM   792  N N    . SER   A 1 118 ? 29.199 24.605 19.270 1.00 21.12 ? 114  SER   A N    1 
ATOM   793  C CA   . SER   A 1 118 ? 28.997 24.607 17.821 1.00 22.71 ? 114  SER   A CA   1 
ATOM   794  C C    . SER   A 1 118 ? 29.989 23.706 17.097 1.00 22.91 ? 114  SER   A C    1 
ATOM   795  O O    . SER   A 1 118 ? 29.748 23.347 15.932 1.00 20.85 ? 114  SER   A O    1 
ATOM   796  C CB   . SER   A 1 118 ? 29.076 26.044 17.289 1.00 25.16 ? 114  SER   A CB   1 
ATOM   797  O OG   . SER   A 1 118 ? 30.323 26.634 17.615 1.00 35.15 ? 114  SER   A OG   1 
ATOM   798  N N    . SER   A 1 119 ? 31.093 23.325 17.749 1.00 18.67 ? 115  SER   A N    1 
ATOM   799  C CA   . SER   A 1 119 ? 31.971 22.306 17.195 1.00 17.52 ? 115  SER   A CA   1 
ATOM   800  C C    . SER   A 1 119 ? 31.246 20.997 16.928 1.00 16.69 ? 115  SER   A C    1 
ATOM   801  O O    . SER   A 1 119 ? 31.817 20.142 16.245 1.00 18.33 ? 115  SER   A O    1 
ATOM   802  C CB   . SER   A 1 119 ? 33.168 22.059 18.115 1.00 19.74 ? 115  SER   A CB   1 
ATOM   803  O OG   . SER   A 1 119 ? 32.733 21.701 19.428 1.00 20.38 ? 115  SER   A OG   1 
ATOM   804  N N    . ALA   A 1 120 ? 30.018 20.826 17.438 1.00 17.78 ? 116  ALA   A N    1 
ATOM   805  C CA   . ALA   A 1 120 ? 29.201 19.653 17.143 1.00 15.05 ? 116  ALA   A CA   1 
ATOM   806  C C    . ALA   A 1 120 ? 29.093 19.415 15.649 1.00 18.53 ? 116  ALA   A C    1 
ATOM   807  O O    . ALA   A 1 120 ? 29.063 18.266 15.191 1.00 16.70 ? 116  ALA   A O    1 
ATOM   808  C CB   . ALA   A 1 120 ? 27.797 19.833 17.728 1.00 15.19 ? 116  ALA   A CB   1 
ATOM   809  N N    . LYS   A 1 121 ? 29.039 20.489 14.877 1.00 17.38 ? 117  LYS   A N    1 
ATOM   810  C CA   . LYS   A 1 121 ? 28.844 20.373 13.442 1.00 16.29 ? 117  LYS   A CA   1 
ATOM   811  C C    . LYS   A 1 121 ? 30.102 19.929 12.715 1.00 17.77 ? 117  LYS   A C    1 
ATOM   812  O O    . LYS   A 1 121 ? 30.027 19.635 11.511 1.00 18.19 ? 117  LYS   A O    1 
ATOM   813  C CB   . LYS   A 1 121 ? 28.332 21.722 12.915 1.00 20.58 ? 117  LYS   A CB   1 
ATOM   814  C CG   . LYS   A 1 121 ? 26.907 22.049 13.374 1.00 20.88 ? 117  LYS   A CG   1 
ATOM   815  C CD   . LYS   A 1 121 ? 26.442 23.438 12.901 1.00 22.70 ? 117  LYS   A CD   1 
ATOM   816  C CE   . LYS   A 1 121 ? 27.120 24.541 13.695 1.00 25.52 ? 117  LYS   A CE   1 
ATOM   817  N NZ   . LYS   A 1 121 ? 26.745 25.909 13.204 1.00 28.86 ? 117  LYS   A NZ   1 
ATOM   818  N N    . ALA   A 1 122 ? 31.241 19.883 13.415 1.00 15.98 ? 118  ALA   A N    1 
ATOM   819  C CA   . ALA   A 1 122 ? 32.487 19.286 12.956 1.00 16.04 ? 118  ALA   A CA   1 
ATOM   820  C C    . ALA   A 1 122 ? 32.780 17.997 13.719 1.00 16.59 ? 118  ALA   A C    1 
ATOM   821  O O    . ALA   A 1 122 ? 33.939 17.659 13.960 1.00 16.07 ? 118  ALA   A O    1 
ATOM   822  C CB   . ALA   A 1 122 ? 33.646 20.269 13.104 1.00 16.80 ? 118  ALA   A CB   1 
ATOM   823  N N    . ARG   A 1 123 ? 31.727 17.279 14.104 1.00 15.92 ? 119  ARG   A N    1 
ATOM   824  C CA   . ARG   A 1 123 ? 31.853 16.022 14.844 1.00 15.54 ? 119  ARG   A CA   1 
ATOM   825  C C    . ARG   A 1 123 ? 32.622 16.219 16.144 1.00 16.63 ? 119  ARG   A C    1 
ATOM   826  O O    . ARG   A 1 123 ? 33.253 15.284 16.657 1.00 17.31 ? 119  ARG   A O    1 
ATOM   827  C CB   . ARG   A 1 123 ? 32.504 14.931 13.984 1.00 16.80 ? 119  ARG   A CB   1 
ATOM   828  C CG   . ARG   A 1 123 ? 31.702 14.666 12.720 1.00 18.12 ? 119  ARG   A CG   1 
ATOM   829  C CD   . ARG   A 1 123 ? 32.325 13.621 11.767 1.00 23.15 ? 119  ARG   A CD   1 
ATOM   830  N NE   . ARG   A 1 123 ? 31.387 13.398 10.670 1.00 27.29 ? 119  ARG   A NE   1 
ATOM   831  C CZ   . ARG   A 1 123 ? 31.081 12.212 10.155 1.00 30.72 ? 119  ARG   A CZ   1 
ATOM   832  N NH1  . ARG   A 1 123 ? 31.705 11.105 10.536 1.00 32.32 ? 119  ARG   A NH1  1 
ATOM   833  N NH2  . ARG   A 1 123 ? 30.110 12.129 9.250  1.00 29.33 ? 119  ARG   A NH2  1 
ATOM   834  N N    . GLY   A 1 124 ? 32.575 17.435 16.691 1.00 16.60 ? 120  GLY   A N    1 
ATOM   835  C CA   . GLY   A 1 124 ? 33.242 17.735 17.949 1.00 18.51 ? 120  GLY   A CA   1 
ATOM   836  C C    . GLY   A 1 124 ? 34.665 18.241 17.844 1.00 19.14 ? 120  GLY   A C    1 
ATOM   837  O O    . GLY   A 1 124 ? 35.244 18.629 18.866 1.00 19.28 ? 120  GLY   A O    1 
ATOM   838  N N    . ASP   A 1 125 ? 35.244 18.284 16.641 1.00 15.74 ? 121  ASP   A N    1 
ATOM   839  C CA   . ASP   A 1 125 ? 36.656 18.607 16.489 1.00 18.78 ? 121  ASP   A CA   1 
ATOM   840  C C    . ASP   A 1 125 ? 36.903 20.069 16.830 1.00 19.73 ? 121  ASP   A C    1 
ATOM   841  O O    . ASP   A 1 125 ? 36.194 20.958 16.339 1.00 20.40 ? 121  ASP   A O    1 
ATOM   842  C CB   . ASP   A 1 125 ? 37.111 18.318 15.049 1.00 19.03 ? 121  ASP   A CB   1 
ATOM   843  C CG   . ASP   A 1 125 ? 38.568 18.700 14.783 1.00 24.24 ? 121  ASP   A CG   1 
ATOM   844  O OD1  . ASP   A 1 125 ? 39.465 18.392 15.598 1.00 19.73 ? 121  ASP   A OD1  1 
ATOM   845  O OD2  . ASP   A 1 125 ? 38.838 19.279 13.694 1.00 25.30 ? 121  ASP   A OD2  1 
ATOM   846  N N    . LEU   A 1 126 ? 37.930 20.309 17.645 1.00 18.56 ? 122  LEU   A N    1 
ATOM   847  C CA   . LEU   A 1 126 ? 38.401 21.645 17.978 1.00 22.32 ? 122  LEU   A CA   1 
ATOM   848  C C    . LEU   A 1 126 ? 39.683 22.006 17.249 1.00 23.67 ? 122  LEU   A C    1 
ATOM   849  O O    . LEU   A 1 126 ? 40.175 23.126 17.401 1.00 26.62 ? 122  LEU   A O    1 
ATOM   850  C CB   . LEU   A 1 126 ? 38.633 21.770 19.481 1.00 22.18 ? 122  LEU   A CB   1 
ATOM   851  C CG   . LEU   A 1 126 ? 37.394 21.589 20.349 1.00 20.88 ? 122  LEU   A CG   1 
ATOM   852  C CD1  . LEU   A 1 126 ? 37.760 21.494 21.849 1.00 23.49 ? 122  LEU   A CD1  1 
ATOM   853  C CD2  . LEU   A 1 126 ? 36.431 22.723 20.124 1.00 21.19 ? 122  LEU   A CD2  1 
ATOM   854  N N    . GLY   A 1 127 ? 40.241 21.088 16.479 1.00 24.82 ? 123  GLY   A N    1 
ATOM   855  C CA   . GLY   A 1 127 ? 41.542 21.299 15.897 1.00 26.89 ? 123  GLY   A CA   1 
ATOM   856  C C    . GLY   A 1 127 ? 42.667 21.153 16.901 1.00 28.03 ? 123  GLY   A C    1 
ATOM   857  O O    . GLY   A 1 127 ? 42.504 20.715 18.052 1.00 21.41 ? 123  GLY   A O    1 
ATOM   858  N N    . ALA   A 1 128 ? 43.849 21.516 16.428 1.00 24.50 ? 124  ALA   A N    1 
ATOM   859  C CA   . ALA   A 1 128 ? 45.063 21.422 17.216 1.00 27.31 ? 124  ALA   A CA   1 
ATOM   860  C C    . ALA   A 1 128 ? 45.215 22.643 18.110 1.00 31.95 ? 124  ALA   A C    1 
ATOM   861  O O    . ALA   A 1 128 ? 44.750 23.737 17.779 1.00 31.94 ? 124  ALA   A O    1 
ATOM   862  C CB   . ALA   A 1 128 ? 46.273 21.290 16.293 1.00 30.44 ? 124  ALA   A CB   1 
ATOM   863  N N    . PHE   A 1 129 ? 45.867 22.445 19.257 1.00 26.77 ? 125  PHE   A N    1 
ATOM   864  C CA   . PHE   A 1 129 ? 46.110 23.544 20.185 1.00 32.53 ? 125  PHE   A CA   1 
ATOM   865  C C    . PHE   A 1 129 ? 47.281 23.202 21.091 1.00 30.88 ? 125  PHE   A C    1 
ATOM   866  O O    . PHE   A 1 129 ? 47.691 22.047 21.203 1.00 29.38 ? 125  PHE   A O    1 
ATOM   867  C CB   . PHE   A 1 129 ? 44.865 23.877 21.017 1.00 29.64 ? 125  PHE   A CB   1 
ATOM   868  C CG   . PHE   A 1 129 ? 44.295 22.703 21.792 1.00 26.77 ? 125  PHE   A CG   1 
ATOM   869  C CD1  . PHE   A 1 129 ? 44.738 22.424 23.073 1.00 29.22 ? 125  PHE   A CD1  1 
ATOM   870  C CD2  . PHE   A 1 129 ? 43.282 21.922 21.251 1.00 26.00 ? 125  PHE   A CD2  1 
ATOM   871  C CE1  . PHE   A 1 129 ? 44.204 21.358 23.804 1.00 25.92 ? 125  PHE   A CE1  1 
ATOM   872  C CE2  . PHE   A 1 129 ? 42.738 20.856 21.969 1.00 26.22 ? 125  PHE   A CE2  1 
ATOM   873  C CZ   . PHE   A 1 129 ? 43.206 20.581 23.256 1.00 22.75 ? 125  PHE   A CZ   1 
ATOM   874  N N    . SER   A 1 130 ? 47.840 24.231 21.714 1.00 32.03 ? 126  SER   A N    1 
ATOM   875  C CA   . SER   A 1 130 ? 48.931 24.051 22.648 1.00 34.01 ? 126  SER   A CA   1 
ATOM   876  C C    . SER   A 1 130 ? 48.453 24.419 24.044 1.00 29.53 ? 126  SER   A C    1 
ATOM   877  O O    . SER   A 1 130 ? 47.315 24.859 24.247 1.00 31.57 ? 126  SER   A O    1 
ATOM   878  C CB   . SER   A 1 130 ? 50.137 24.897 22.242 1.00 37.50 ? 126  SER   A CB   1 
ATOM   879  O OG   . SER   A 1 130 ? 49.877 26.264 22.499 1.00 36.46 ? 126  SER   A OG   1 
ATOM   880  N N    . ARG   A 1 131 ? 49.337 24.237 25.010 1.00 32.74 ? 127  ARG   A N    1 
ATOM   881  C CA   . ARG   A 1 131 ? 49.048 24.734 26.344 1.00 34.29 ? 127  ARG   A CA   1 
ATOM   882  C C    . ARG   A 1 131 ? 48.963 26.254 26.306 1.00 37.49 ? 127  ARG   A C    1 
ATOM   883  O O    . ARG   A 1 131 ? 49.583 26.911 25.462 1.00 35.20 ? 127  ARG   A O    1 
ATOM   884  C CB   . ARG   A 1 131 ? 50.111 24.266 27.334 1.00 34.59 ? 127  ARG   A CB   1 
ATOM   885  C CG   . ARG   A 1 131 ? 50.071 22.771 27.617 1.00 32.78 ? 127  ARG   A CG   1 
ATOM   886  C CD   . ARG   A 1 131 ? 50.684 22.482 28.961 1.00 31.81 ? 127  ARG   A CD   1 
ATOM   887  N NE   . ARG   A 1 131 ? 50.704 21.063 29.294 1.00 34.89 ? 127  ARG   A NE   1 
ATOM   888  C CZ   . ARG   A 1 131 ? 49.811 20.465 30.071 1.00 31.54 ? 127  ARG   A CZ   1 
ATOM   889  N NH1  . ARG   A 1 131 ? 48.762 21.112 30.540 1.00 26.17 ? 127  ARG   A NH1  1 
ATOM   890  N NH2  . ARG   A 1 131 ? 49.979 19.184 30.385 1.00 32.98 ? 127  ARG   A NH2  1 
ATOM   891  N N    . GLY   A 1 132 ? 48.155 26.809 27.206 1.00 35.92 ? 128  GLY   A N    1 
ATOM   892  C CA   . GLY   A 1 132 ? 47.903 28.233 27.247 1.00 36.14 ? 128  GLY   A CA   1 
ATOM   893  C C    . GLY   A 1 132 ? 46.671 28.706 26.503 1.00 37.86 ? 128  GLY   A C    1 
ATOM   894  O O    . GLY   A 1 132 ? 46.369 29.902 26.556 1.00 41.07 ? 128  GLY   A O    1 
ATOM   895  N N    . GLN   A 1 133 ? 45.945 27.818 25.819 1.00 34.42 ? 129  GLN   A N    1 
ATOM   896  C CA   . GLN   A 1 133 ? 44.790 28.218 25.018 1.00 32.36 ? 129  GLN   A CA   1 
ATOM   897  C C    . GLN   A 1 133 ? 43.443 27.812 25.592 1.00 33.52 ? 129  GLN   A C    1 
ATOM   898  O O    . GLN   A 1 133 ? 42.502 28.603 25.545 1.00 35.21 ? 129  GLN   A O    1 
ATOM   899  C CB   . GLN   A 1 133 ? 44.894 27.640 23.608 1.00 32.57 ? 129  GLN   A CB   1 
ATOM   900  C CG   . GLN   A 1 133 ? 46.081 28.129 22.811 1.00 36.17 ? 129  GLN   A CG   1 
ATOM   901  C CD   . GLN   A 1 133 ? 46.071 27.564 21.402 1.00 37.35 ? 129  GLN   A CD   1 
ATOM   902  O OE1  . GLN   A 1 133 ? 46.993 26.855 20.993 1.00 36.41 ? 129  GLN   A OE1  1 
ATOM   903  N NE2  . GLN   A 1 133 ? 45.013 27.864 20.657 1.00 42.95 ? 129  GLN   A NE2  1 
ATOM   904  N N    . MET   A 1 134 ? 43.300 26.592 26.094 1.00 32.38 ? 130  MET   A N    1 
ATOM   905  C CA   . MET   A 1 134 ? 42.006 26.093 26.537 1.00 29.91 ? 130  MET   A CA   1 
ATOM   906  C C    . MET   A 1 134 ? 41.882 26.238 28.047 1.00 26.66 ? 130  MET   A C    1 
ATOM   907  O O    . MET   A 1 134 ? 42.878 26.401 28.751 1.00 29.29 ? 130  MET   A O    1 
ATOM   908  C CB   . MET   A 1 134 ? 41.830 24.624 26.127 1.00 26.95 ? 130  MET   A CB   1 
ATOM   909  C CG   . MET   A 1 134 ? 42.022 24.384 24.637 1.00 29.20 ? 130  MET   A CG   1 
ATOM   910  S SD   . MET   A 1 134 ? 40.622 25.042 23.721 1.00 35.57 ? 130  MET   A SD   1 
ATOM   911  C CE   . MET   A 1 134 ? 40.938 24.337 22.106 1.00 34.63 ? 130  MET   A CE   1 
ATOM   912  N N    . GLN   A 1 135 ? 40.643 26.194 28.537 1.00 26.86 ? 131  GLN   A N    1 
ATOM   913  C CA   . GLN   A 1 135 ? 40.418 26.186 29.980 1.00 24.93 ? 131  GLN   A CA   1 
ATOM   914  C C    . GLN   A 1 135 ? 41.250 25.086 30.620 1.00 26.50 ? 131  GLN   A C    1 
ATOM   915  O O    . GLN   A 1 135 ? 41.437 24.015 30.047 1.00 24.07 ? 131  GLN   A O    1 
ATOM   916  C CB   . GLN   A 1 135 ? 38.934 25.992 30.282 1.00 24.92 ? 131  GLN   A CB   1 
ATOM   917  C CG   . GLN   A 1 135 ? 38.071 27.140 29.789 1.00 31.03 ? 131  GLN   A CG   1 
ATOM   918  C CD   . GLN   A 1 135 ? 36.591 26.934 30.039 1.00 33.18 ? 131  GLN   A CD   1 
ATOM   919  O OE1  . GLN   A 1 135 ? 36.059 27.352 31.070 1.00 36.68 ? 131  GLN   A OE1  1 
ATOM   920  N NE2  . GLN   A 1 135 ? 35.914 26.296 29.090 1.00 35.46 ? 131  GLN   A NE2  1 
ATOM   921  N N    . LYS   A 1 136 ? 41.765 25.355 31.816 1.00 23.01 ? 132  LYS   A N    1 
ATOM   922  C CA   . LYS   A 1 136 ? 42.857 24.532 32.327 1.00 23.21 ? 132  LYS   A CA   1 
ATOM   923  C C    . LYS   A 1 136 ? 42.498 23.064 32.529 1.00 21.07 ? 132  LYS   A C    1 
ATOM   924  O O    . LYS   A 1 136 ? 43.335 22.204 32.194 1.00 23.20 ? 132  LYS   A O    1 
ATOM   925  C CB   . LYS   A 1 136 ? 43.374 25.137 33.637 1.00 24.57 ? 132  LYS   A CB   1 
ATOM   926  C CG   . LYS   A 1 136 ? 44.626 24.474 34.143 1.00 28.04 ? 132  LYS   A CG   1 
ATOM   927  C CD   . LYS   A 1 136 ? 45.817 24.765 33.262 1.00 30.94 ? 132  LYS   A CD   1 
ATOM   928  C CE   . LYS   A 1 136 ? 46.961 23.833 33.639 1.00 33.15 ? 132  LYS   A CE   1 
ATOM   929  N NZ   . LYS   A 1 136 ? 48.171 24.050 32.805 1.00 40.86 ? 132  LYS   A NZ   1 
ATOM   930  N N    . PRO   A 1 137 ? 41.349 22.694 33.094 1.00 24.40 ? 133  PRO   A N    1 
ATOM   931  C CA   . PRO   A 1 137 ? 41.061 21.262 33.248 1.00 19.49 ? 133  PRO   A CA   1 
ATOM   932  C C    . PRO   A 1 137 ? 40.925 20.558 31.918 1.00 18.93 ? 133  PRO   A C    1 
ATOM   933  O O    . PRO   A 1 137 ? 41.292 19.382 31.810 1.00 20.58 ? 133  PRO   A O    1 
ATOM   934  C CB   . PRO   A 1 137 ? 39.746 21.245 34.028 1.00 19.20 ? 133  PRO   A CB   1 
ATOM   935  C CG   . PRO   A 1 137 ? 39.672 22.617 34.699 1.00 22.45 ? 133  PRO   A CG   1 
ATOM   936  C CD   . PRO   A 1 137 ? 40.309 23.539 33.709 1.00 24.06 ? 133  PRO   A CD   1 
ATOM   937  N N    . PHE   A 1 138 ? 40.408 21.260 30.913 1.00 21.72 ? 134  PHE   A N    1 
ATOM   938  C CA   . PHE   A 1 138 ? 40.318 20.703 29.568 1.00 18.64 ? 134  PHE   A CA   1 
ATOM   939  C C    . PHE   A 1 138 ? 41.704 20.521 28.982 1.00 21.74 ? 134  PHE   A C    1 
ATOM   940  O O    . PHE   A 1 138 ? 42.028 19.459 28.439 1.00 21.57 ? 134  PHE   A O    1 
ATOM   941  C CB   . PHE   A 1 138 ? 39.488 21.632 28.691 1.00 19.66 ? 134  PHE   A CB   1 
ATOM   942  C CG   . PHE   A 1 138 ? 39.116 21.044 27.351 1.00 18.37 ? 134  PHE   A CG   1 
ATOM   943  C CD1  . PHE   A 1 138 ? 40.038 20.990 26.307 1.00 22.85 ? 134  PHE   A CD1  1 
ATOM   944  C CD2  . PHE   A 1 138 ? 37.820 20.600 27.122 1.00 17.21 ? 134  PHE   A CD2  1 
ATOM   945  C CE1  . PHE   A 1 138 ? 39.682 20.453 25.055 1.00 19.41 ? 134  PHE   A CE1  1 
ATOM   946  C CE2  . PHE   A 1 138 ? 37.455 20.069 25.878 1.00 19.97 ? 134  PHE   A CE2  1 
ATOM   947  C CZ   . PHE   A 1 138 ? 38.388 20.003 24.844 1.00 19.96 ? 134  PHE   A CZ   1 
ATOM   948  N N    . GLU   A 1 139 ? 42.534 21.567 29.059 1.00 19.26 ? 135  GLU   A N    1 
ATOM   949  C CA   . GLU   A 1 139 ? 43.921 21.441 28.640 1.00 17.96 ? 135  GLU   A CA   1 
ATOM   950  C C    . GLU   A 1 139 ? 44.616 20.268 29.319 1.00 19.62 ? 135  GLU   A C    1 
ATOM   951  O O    . GLU   A 1 139 ? 45.256 19.447 28.661 1.00 19.31 ? 135  GLU   A O    1 
ATOM   952  C CB   . GLU   A 1 139 ? 44.669 22.740 28.932 1.00 21.63 ? 135  GLU   A CB   1 
ATOM   953  C CG   . GLU   A 1 139 ? 46.153 22.627 28.706 1.00 26.64 ? 135  GLU   A CG   1 
ATOM   954  C CD   . GLU   A 1 139 ? 46.879 23.888 29.127 1.00 30.96 ? 135  GLU   A CD   1 
ATOM   955  O OE1  . GLU   A 1 139 ? 46.499 24.971 28.639 1.00 31.76 ? 135  GLU   A OE1  1 
ATOM   956  O OE2  . GLU   A 1 139 ? 47.799 23.787 29.967 1.00 31.84 ? 135  GLU   A OE2  1 
ATOM   957  N N    . ASP   A 1 140 ? 44.518 20.174 30.650 1.00 18.37 ? 136  ASP   A N    1 
ATOM   958  C CA   . ASP   A 1 140 ? 45.266 19.126 31.333 1.00 19.92 ? 136  ASP   A CA   1 
ATOM   959  C C    . ASP   A 1 140 ? 44.795 17.742 30.901 1.00 18.64 ? 136  ASP   A C    1 
ATOM   960  O O    . ASP   A 1 140 ? 45.611 16.837 30.694 1.00 18.35 ? 136  ASP   A O    1 
ATOM   961  C CB   . ASP   A 1 140 ? 45.148 19.285 32.849 1.00 21.44 ? 136  ASP   A CB   1 
ATOM   962  C CG   . ASP   A 1 140 ? 46.056 20.385 33.391 1.00 28.14 ? 136  ASP   A CG   1 
ATOM   963  O OD1  . ASP   A 1 140 ? 46.995 20.796 32.667 1.00 24.30 ? 136  ASP   A OD1  1 
ATOM   964  O OD2  . ASP   A 1 140 ? 45.846 20.826 34.545 1.00 26.02 ? 136  ASP   A OD2  1 
ATOM   965  N N    . ALA   A 1 141 ? 43.487 17.554 30.772 1.00 19.01 ? 137  ALA   A N    1 
ATOM   966  C CA   . ALA   A 1 141 ? 43.005 16.248 30.335 1.00 16.59 ? 137  ALA   A CA   1 
ATOM   967  C C    . ALA   A 1 141 ? 43.497 15.956 28.922 1.00 16.44 ? 137  ALA   A C    1 
ATOM   968  O O    . ALA   A 1 141 ? 43.999 14.862 28.640 1.00 18.54 ? 137  ALA   A O    1 
ATOM   969  C CB   . ALA   A 1 141 ? 41.479 16.206 30.422 1.00 16.02 ? 137  ALA   A CB   1 
ATOM   970  N N    . SER   A 1 142 ? 43.451 16.960 28.049 1.00 18.44 ? 138  SER   A N    1 
ATOM   971  C CA   . SER   A 1 142 ? 43.810 16.746 26.652 1.00 18.47 ? 138  SER   A CA   1 
ATOM   972  C C    . SER   A 1 142 ? 45.255 16.281 26.517 1.00 19.33 ? 138  SER   A C    1 
ATOM   973  O O    . SER   A 1 142 ? 45.546 15.342 25.769 1.00 22.98 ? 138  SER   A O    1 
ATOM   974  C CB   . SER   A 1 142 ? 43.577 18.031 25.855 1.00 18.96 ? 138  SER   A CB   1 
ATOM   975  O OG   . SER   A 1 142 ? 42.212 18.404 25.874 1.00 19.45 ? 138  SER   A OG   1 
ATOM   976  N N    . PHE   A 1 143 ? 46.181 16.906 27.255 1.00 20.32 ? 139  PHE   A N    1 
ATOM   977  C CA   . PHE   A 1 143 ? 47.579 16.516 27.154 1.00 22.36 ? 139  PHE   A CA   1 
ATOM   978  C C    . PHE   A 1 143 ? 47.921 15.252 27.925 1.00 24.97 ? 139  PHE   A C    1 
ATOM   979  O O    . PHE   A 1 143 ? 49.004 14.700 27.708 1.00 27.54 ? 139  PHE   A O    1 
ATOM   980  C CB   . PHE   A 1 143 ? 48.482 17.674 27.605 1.00 24.66 ? 139  PHE   A CB   1 
ATOM   981  C CG   . PHE   A 1 143 ? 48.675 18.712 26.540 1.00 24.98 ? 139  PHE   A CG   1 
ATOM   982  C CD1  . PHE   A 1 143 ? 47.724 19.691 26.335 1.00 24.97 ? 139  PHE   A CD1  1 
ATOM   983  C CD2  . PHE   A 1 143 ? 49.786 18.670 25.707 1.00 32.08 ? 139  PHE   A CD2  1 
ATOM   984  C CE1  . PHE   A 1 143 ? 47.882 20.636 25.331 1.00 28.72 ? 139  PHE   A CE1  1 
ATOM   985  C CE2  . PHE   A 1 143 ? 49.955 19.608 24.704 1.00 29.37 ? 139  PHE   A CE2  1 
ATOM   986  C CZ   . PHE   A 1 143 ? 49.001 20.593 24.517 1.00 29.77 ? 139  PHE   A CZ   1 
ATOM   987  N N    . ALA   A 1 144 ? 47.041 14.768 28.803 1.00 21.78 ? 140  ALA   A N    1 
ATOM   988  C CA   . ALA   A 1 144 ? 47.315 13.529 29.512 1.00 21.62 ? 140  ALA   A CA   1 
ATOM   989  C C    . ALA   A 1 144 ? 46.730 12.309 28.814 1.00 23.20 ? 140  ALA   A C    1 
ATOM   990  O O    . ALA   A 1 144 ? 47.121 11.177 29.134 1.00 24.22 ? 140  ALA   A O    1 
ATOM   991  C CB   . ALA   A 1 144 ? 46.778 13.619 30.944 1.00 22.35 ? 140  ALA   A CB   1 
ATOM   992  N N    . LEU   A 1 145 ? 45.812 12.514 27.874 1.00 21.49 ? 141  LEU   A N    1 
ATOM   993  C CA   . LEU   A 1 145 ? 45.285 11.419 27.075 1.00 20.37 ? 141  LEU   A CA   1 
ATOM   994  C C    . LEU   A 1 145 ? 46.330 10.907 26.092 1.00 25.38 ? 141  LEU   A C    1 
ATOM   995  O O    . LEU   A 1 145 ? 47.157 11.666 25.584 1.00 27.22 ? 141  LEU   A O    1 
ATOM   996  C CB   . LEU   A 1 145 ? 44.057 11.877 26.289 1.00 16.10 ? 141  LEU   A CB   1 
ATOM   997  C CG   . LEU   A 1 145 ? 42.767 12.123 27.054 1.00 17.31 ? 141  LEU   A CG   1 
ATOM   998  C CD1  . LEU   A 1 145 ? 41.762 12.879 26.207 1.00 17.12 ? 141  LEU   A CD1  1 
ATOM   999  C CD2  . LEU   A 1 145 ? 42.160 10.807 27.532 1.00 18.06 ? 141  LEU   A CD2  1 
ATOM   1000 N N    . ARG   A 1 146 ? 46.275 9.606  25.815 1.00 22.82 ? 142  ARG   A N    1 
ATOM   1001 C CA   . ARG   A 1 146 ? 46.997 9.039  24.691 1.00 27.84 ? 142  ARG   A CA   1 
ATOM   1002 C C    . ARG   A 1 146 ? 46.217 9.276  23.397 1.00 24.66 ? 142  ARG   A C    1 
ATOM   1003 O O    . ARG   A 1 146 ? 45.008 9.531  23.403 1.00 21.77 ? 142  ARG   A O    1 
ATOM   1004 C CB   . ARG   A 1 146 ? 47.227 7.543  24.907 1.00 29.55 ? 142  ARG   A CB   1 
ATOM   1005 C CG   . ARG   A 1 146 ? 48.010 7.231  26.172 1.00 36.39 ? 142  ARG   A CG   1 
ATOM   1006 C CD   . ARG   A 1 146 ? 48.667 5.870  26.062 1.00 46.75 ? 142  ARG   A CD   1 
ATOM   1007 N NE   . ARG   A 1 146 ? 49.437 5.523  27.252 1.00 56.34 ? 142  ARG   A NE   1 
ATOM   1008 C CZ   . ARG   A 1 146 ? 48.945 4.890  28.311 1.00 53.04 ? 142  ARG   A CZ   1 
ATOM   1009 N NH1  . ARG   A 1 146 ? 47.673 4.525  28.372 1.00 49.10 ? 142  ARG   A NH1  1 
ATOM   1010 N NH2  . ARG   A 1 146 ? 49.749 4.620  29.336 1.00 52.71 ? 142  ARG   A NH2  1 
ATOM   1011 N N    . THR   A 1 147 ? 46.921 9.205  22.276 1.00 26.26 ? 143  THR   A N    1 
ATOM   1012 C CA   . THR   A 1 147 ? 46.243 9.313  20.991 1.00 25.02 ? 143  THR   A CA   1 
ATOM   1013 C C    . THR   A 1 147 ? 45.187 8.224  20.873 1.00 25.18 ? 143  THR   A C    1 
ATOM   1014 O O    . THR   A 1 147 ? 45.456 7.048  21.132 1.00 27.02 ? 143  THR   A O    1 
ATOM   1015 C CB   . THR   A 1 147 ? 47.248 9.204  19.845 1.00 30.42 ? 143  THR   A CB   1 
ATOM   1016 O OG1  . THR   A 1 147 ? 48.201 10.263 19.954 1.00 32.86 ? 143  THR   A OG1  1 
ATOM   1017 C CG2  . THR   A 1 147 ? 46.532 9.330  18.510 1.00 30.73 ? 143  THR   A CG2  1 
ATOM   1018 N N    . GLY   A 1 148 ? 43.967 8.625  20.508 1.00 20.25 ? 144  GLY   A N    1 
ATOM   1019 C CA   . GLY   A 1 148 ? 42.856 7.702  20.420 1.00 22.47 ? 144  GLY   A CA   1 
ATOM   1020 C C    . GLY   A 1 148 ? 42.084 7.494  21.708 1.00 22.88 ? 144  GLY   A C    1 
ATOM   1021 O O    . GLY   A 1 148 ? 41.007 6.888  21.679 1.00 23.60 ? 144  GLY   A O    1 
ATOM   1022 N N    . GLU   A 1 149 ? 42.587 7.974  22.838 1.00 18.79 ? 145  GLU   A N    1 
ATOM   1023 C CA   . GLU   A 1 149 ? 41.943 7.734  24.113 1.00 20.33 ? 145  GLU   A CA   1 
ATOM   1024 C C    . GLU   A 1 149 ? 40.883 8.786  24.408 1.00 19.75 ? 145  GLU   A C    1 
ATOM   1025 O O    . GLU   A 1 149 ? 40.966 9.931  23.954 1.00 18.22 ? 145  GLU   A O    1 
ATOM   1026 C CB   . GLU   A 1 149 ? 42.987 7.718  25.225 1.00 19.11 ? 145  GLU   A CB   1 
ATOM   1027 C CG   . GLU   A 1 149 ? 42.406 7.414  26.579 1.00 22.89 ? 145  GLU   A CG   1 
ATOM   1028 C CD   . GLU   A 1 149 ? 43.462 7.380  27.645 1.00 26.64 ? 145  GLU   A CD   1 
ATOM   1029 O OE1  . GLU   A 1 149 ? 44.575 7.903  27.394 1.00 24.28 ? 145  GLU   A OE1  1 
ATOM   1030 O OE2  . GLU   A 1 149 ? 43.169 6.832  28.732 1.00 23.78 ? 145  GLU   A OE2  1 
ATOM   1031 N N    . MET   A 1 150 ? 39.891 8.388  25.196 1.00 18.50 ? 146  MET   A N    1 
ATOM   1032 C CA   . MET   A 1 150 ? 38.759 9.231  25.544 1.00 16.60 ? 146  MET   A CA   1 
ATOM   1033 C C    . MET   A 1 150 ? 38.778 9.485  27.037 1.00 16.44 ? 146  MET   A C    1 
ATOM   1034 O O    . MET   A 1 150 ? 39.103 8.586  27.833 1.00 16.86 ? 146  MET   A O    1 
ATOM   1035 C CB   . MET   A 1 150 ? 37.440 8.578  25.153 1.00 16.41 ? 146  MET   A CB   1 
ATOM   1036 C CG   . MET   A 1 150 ? 36.223 9.460  25.361 1.00 16.63 ? 146  MET   A CG   1 
ATOM   1037 S SD   . MET   A 1 150 ? 34.751 8.704  24.665 1.00 20.95 ? 146  MET   A SD   1 
ATOM   1038 C CE   . MET   A 1 150 ? 34.366 7.502  25.955 1.00 18.32 ? 146  MET   A CE   1 
ATOM   1039 N N    . SER   A 1 151 ? 38.405 10.699 27.423 1.00 13.66 ? 147  SER   A N    1 
ATOM   1040 C CA   . SER   A 1 151 ? 38.394 11.048 28.832 1.00 14.12 ? 147  SER   A CA   1 
ATOM   1041 C C    . SER   A 1 151 ? 37.120 10.552 29.503 1.00 14.97 ? 147  SER   A C    1 
ATOM   1042 O O    . SER   A 1 151 ? 36.181 10.085 28.862 1.00 16.38 ? 147  SER   A O    1 
ATOM   1043 C CB   . SER   A 1 151 ? 38.484 12.566 29.005 1.00 13.48 ? 147  SER   A CB   1 
ATOM   1044 O OG   . SER   A 1 151 ? 37.204 13.151 28.753 1.00 15.70 ? 147  SER   A OG   1 
ATOM   1045 N N    . GLY   A 1 152 ? 37.084 10.680 30.825 1.00 14.03 ? 148  GLY   A N    1 
ATOM   1046 C CA   . GLY   A 1 152 ? 35.826 10.613 31.525 1.00 17.04 ? 148  GLY   A CA   1 
ATOM   1047 C C    . GLY   A 1 152 ? 35.223 12.006 31.567 1.00 17.85 ? 148  GLY   A C    1 
ATOM   1048 O O    . GLY   A 1 152 ? 35.623 12.900 30.814 1.00 16.70 ? 148  GLY   A O    1 
ATOM   1049 N N    . PRO   A 1 153 ? 34.251 12.229 32.440 1.00 16.13 ? 149  PRO   A N    1 
ATOM   1050 C CA   . PRO   A 1 153 ? 33.654 13.572 32.537 1.00 14.17 ? 149  PRO   A CA   1 
ATOM   1051 C C    . PRO   A 1 153 ? 34.672 14.569 33.074 1.00 17.98 ? 149  PRO   A C    1 
ATOM   1052 O O    . PRO   A 1 153 ? 35.274 14.359 34.132 1.00 19.21 ? 149  PRO   A O    1 
ATOM   1053 C CB   . PRO   A 1 153 ? 32.470 13.370 33.492 1.00 18.83 ? 149  PRO   A CB   1 
ATOM   1054 C CG   . PRO   A 1 153 ? 32.195 11.869 33.444 1.00 20.51 ? 149  PRO   A CG   1 
ATOM   1055 C CD   . PRO   A 1 153 ? 33.545 11.237 33.269 1.00 18.37 ? 149  PRO   A CD   1 
ATOM   1056 N N    . VAL   A 1 154 ? 34.895 15.642 32.308 1.00 16.40 ? 150  VAL   A N    1 
ATOM   1057 C CA   . VAL   A 1 154 ? 35.845 16.700 32.655 1.00 15.06 ? 150  VAL   A CA   1 
ATOM   1058 C C    . VAL   A 1 154 ? 35.068 17.991 32.869 1.00 18.25 ? 150  VAL   A C    1 
ATOM   1059 O O    . VAL   A 1 154 ? 34.239 18.369 32.039 1.00 16.82 ? 150  VAL   A O    1 
ATOM   1060 C CB   . VAL   A 1 154 ? 36.929 16.873 31.575 1.00 18.46 ? 150  VAL   A CB   1 
ATOM   1061 C CG1  . VAL   A 1 154 ? 37.795 18.097 31.890 1.00 18.99 ? 150  VAL   A CG1  1 
ATOM   1062 C CG2  . VAL   A 1 154 ? 37.788 15.632 31.511 1.00 16.40 ? 150  VAL   A CG2  1 
ATOM   1063 N N    . PHE   A 1 155 ? 35.303 18.655 33.999 1.00 16.32 ? 151  PHE   A N    1 
ATOM   1064 C CA   . PHE   A 1 155 ? 34.468 19.778 34.398 1.00 16.91 ? 151  PHE   A CA   1 
ATOM   1065 C C    . PHE   A 1 155 ? 35.193 21.090 34.153 1.00 18.31 ? 151  PHE   A C    1 
ATOM   1066 O O    . PHE   A 1 155 ? 36.340 21.255 34.579 1.00 20.53 ? 151  PHE   A O    1 
ATOM   1067 C CB   . PHE   A 1 155 ? 34.093 19.656 35.879 1.00 17.17 ? 151  PHE   A CB   1 
ATOM   1068 C CG   . PHE   A 1 155 ? 33.278 18.444 36.194 1.00 14.61 ? 151  PHE   A CG   1 
ATOM   1069 C CD1  . PHE   A 1 155 ? 33.889 17.222 36.425 1.00 18.07 ? 151  PHE   A CD1  1 
ATOM   1070 C CD2  . PHE   A 1 155 ? 31.903 18.530 36.275 1.00 16.82 ? 151  PHE   A CD2  1 
ATOM   1071 C CE1  . PHE   A 1 155 ? 33.138 16.100 36.726 1.00 17.85 ? 151  PHE   A CE1  1 
ATOM   1072 C CE2  . PHE   A 1 155 ? 31.141 17.400 36.562 1.00 21.56 ? 151  PHE   A CE2  1 
ATOM   1073 C CZ   . PHE   A 1 155 ? 31.770 16.191 36.784 1.00 19.61 ? 151  PHE   A CZ   1 
ATOM   1074 N N    . THR   A 1 156 ? 34.540 22.005 33.440 1.00 21.15 ? 152  THR   A N    1 
ATOM   1075 C CA   . THR   A 1 156 ? 35.045 23.366 33.270 1.00 19.49 ? 152  THR   A CA   1 
ATOM   1076 C C    . THR   A 1 156 ? 33.926 24.339 33.600 1.00 22.62 ? 152  THR   A C    1 
ATOM   1077 O O    . THR   A 1 156 ? 32.775 23.950 33.845 1.00 21.34 ? 152  THR   A O    1 
ATOM   1078 C CB   . THR   A 1 156 ? 35.532 23.635 31.836 1.00 21.19 ? 152  THR   A CB   1 
ATOM   1079 O OG1  . THR   A 1 156 ? 34.395 23.631 30.974 1.00 22.55 ? 152  THR   A OG1  1 
ATOM   1080 C CG2  . THR   A 1 156 ? 36.555 22.602 31.383 1.00 21.27 ? 152  THR   A CG2  1 
ATOM   1081 N N    . ASP   A 1 157 ? 34.243 25.636 33.536 1.00 25.02 ? 153  ASP   A N    1 
ATOM   1082 C CA   . ASP   A 1 157 ? 33.184 26.625 33.682 1.00 28.45 ? 153  ASP   A CA   1 
ATOM   1083 C C    . ASP   A 1 157 ? 32.167 26.569 32.544 1.00 27.02 ? 153  ASP   A C    1 
ATOM   1084 O O    . ASP   A 1 157 ? 31.049 27.072 32.710 1.00 25.06 ? 153  ASP   A O    1 
ATOM   1085 C CB   . ASP   A 1 157 ? 33.792 28.027 33.799 1.00 29.94 ? 153  ASP   A CB   1 
ATOM   1086 C CG   . ASP   A 1 157 ? 34.488 28.242 35.133 1.00 37.49 ? 153  ASP   A CG   1 
ATOM   1087 O OD1  . ASP   A 1 157 ? 34.048 27.626 36.127 1.00 37.08 ? 153  ASP   A OD1  1 
ATOM   1088 O OD2  . ASP   A 1 157 ? 35.476 29.008 35.187 1.00 40.66 ? 153  ASP   A OD2  1 
ATOM   1089 N N    . SER   A 1 158 ? 32.510 25.968 31.389 1.00 26.84 ? 154  SER   A N    1 
ATOM   1090 C CA   . SER   A 1 158 ? 31.529 25.870 30.310 1.00 25.57 ? 154  SER   A CA   1 
ATOM   1091 C C    . SER   A 1 158 ? 30.493 24.798 30.595 1.00 22.59 ? 154  SER   A C    1 
ATOM   1092 O O    . SER   A 1 158 ? 29.346 24.912 30.157 1.00 21.29 ? 154  SER   A O    1 
ATOM   1093 C CB   . SER   A 1 158 ? 32.199 25.554 28.965 1.00 25.33 ? 154  SER   A CB   1 
ATOM   1094 O OG   . SER   A 1 158 ? 33.265 26.438 28.676 1.00 33.81 ? 154  SER   A OG   1 
ATOM   1095 N N    . GLY   A 1 159 ? 30.877 23.754 31.296 1.00 23.20 ? 155  GLY   A N    1 
ATOM   1096 C CA   . GLY   A 1 159 ? 29.987 22.644 31.541 1.00 21.52 ? 155  GLY   A CA   1 
ATOM   1097 C C    . GLY   A 1 159 ? 30.792 21.371 31.720 1.00 17.80 ? 155  GLY   A C    1 
ATOM   1098 O O    . GLY   A 1 159 ? 31.894 21.393 32.258 1.00 23.25 ? 155  GLY   A O    1 
ATOM   1099 N N    . ILE   A 1 160 ? 30.226 20.256 31.262 1.00 16.52 ? 156  ILE   A N    1 
ATOM   1100 C CA   . ILE   A 1 160 ? 30.856 18.950 31.422 1.00 15.82 ? 156  ILE   A CA   1 
ATOM   1101 C C    . ILE   A 1 160 ? 31.223 18.433 30.041 1.00 14.87 ? 156  ILE   A C    1 
ATOM   1102 O O    . ILE   A 1 160 ? 30.386 18.465 29.133 1.00 17.12 ? 156  ILE   A O    1 
ATOM   1103 C CB   . ILE   A 1 160 ? 29.917 17.968 32.140 1.00 17.32 ? 156  ILE   A CB   1 
ATOM   1104 C CG1  . ILE   A 1 160 ? 29.315 18.634 33.384 1.00 19.56 ? 156  ILE   A CG1  1 
ATOM   1105 C CG2  . ILE   A 1 160 ? 30.665 16.689 32.507 1.00 19.19 ? 156  ILE   A CG2  1 
ATOM   1106 C CD1  . ILE   A 1 160 ? 28.326 17.749 34.156 1.00 20.82 ? 156  ILE   A CD1  1 
ATOM   1107 N N    . HIS   A 1 161 ? 32.465 17.960 29.886 1.00 14.88 ? 157  HIS   A N    1 
ATOM   1108 C CA   . HIS   A 1 161 ? 33.014 17.548 28.594 1.00 14.54 ? 157  HIS   A CA   1 
ATOM   1109 C C    . HIS   A 1 161 ? 33.362 16.066 28.592 1.00 14.67 ? 157  HIS   A C    1 
ATOM   1110 O O    . HIS   A 1 161 ? 33.826 15.523 29.592 1.00 15.51 ? 157  HIS   A O    1 
ATOM   1111 C CB   . HIS   A 1 161 ? 34.316 18.298 28.264 1.00 16.01 ? 157  HIS   A CB   1 
ATOM   1112 C CG   . HIS   A 1 161 ? 34.231 19.790 28.377 1.00 18.32 ? 157  HIS   A CG   1 
ATOM   1113 N ND1  . HIS   A 1 161 ? 34.189 20.613 27.269 1.00 16.68 ? 157  HIS   A ND1  1 
ATOM   1114 C CD2  . HIS   A 1 161 ? 34.240 20.609 29.457 1.00 19.06 ? 157  HIS   A CD2  1 
ATOM   1115 C CE1  . HIS   A 1 161 ? 34.147 21.875 27.666 1.00 23.63 ? 157  HIS   A CE1  1 
ATOM   1116 N NE2  . HIS   A 1 161 ? 34.164 21.899 28.990 1.00 19.23 ? 157  HIS   A NE2  1 
ATOM   1117 N N    . ILE   A 1 162 ? 33.179 15.420 27.442 1.00 12.93 ? 158  ILE   A N    1 
ATOM   1118 C CA   . ILE   A 1 162 ? 33.898 14.203 27.089 1.00 15.38 ? 158  ILE   A CA   1 
ATOM   1119 C C    . ILE   A 1 162 ? 34.932 14.601 26.049 1.00 12.58 ? 158  ILE   A C    1 
ATOM   1120 O O    . ILE   A 1 162 ? 34.584 15.249 25.056 1.00 16.71 ? 158  ILE   A O    1 
ATOM   1121 C CB   . ILE   A 1 162 ? 32.950 13.126 26.531 1.00 15.80 ? 158  ILE   A CB   1 
ATOM   1122 C CG1  . ILE   A 1 162 ? 31.858 12.775 27.547 1.00 17.16 ? 158  ILE   A CG1  1 
ATOM   1123 C CG2  . ILE   A 1 162 ? 33.733 11.864 26.148 1.00 17.74 ? 158  ILE   A CG2  1 
ATOM   1124 C CD1  . ILE   A 1 162 ? 30.639 12.125 26.887 1.00 17.87 ? 158  ILE   A CD1  1 
ATOM   1125 N N    . ILE   A 1 163 ? 36.197 14.226 26.255 1.00 11.48 ? 159  ILE   A N    1 
ATOM   1126 C CA   . ILE   A 1 163 ? 37.273 14.644 25.351 1.00 13.27 ? 159  ILE   A CA   1 
ATOM   1127 C C    . ILE   A 1 163 ? 37.871 13.428 24.653 1.00 13.33 ? 159  ILE   A C    1 
ATOM   1128 O O    . ILE   A 1 163 ? 38.218 12.439 25.304 1.00 17.14 ? 159  ILE   A O    1 
ATOM   1129 C CB   . ILE   A 1 163 ? 38.369 15.418 26.096 1.00 14.93 ? 159  ILE   A CB   1 
ATOM   1130 C CG1  . ILE   A 1 163 ? 37.767 16.578 26.878 1.00 16.74 ? 159  ILE   A CG1  1 
ATOM   1131 C CG2  . ILE   A 1 163 ? 39.441 15.900 25.137 1.00 16.80 ? 159  ILE   A CG2  1 
ATOM   1132 C CD1  . ILE   A 1 163 ? 38.751 17.239 27.833 1.00 16.57 ? 159  ILE   A CD1  1 
ATOM   1133 N N    . LEU   A 1 164 ? 38.018 13.509 23.329 1.00 14.20 ? 160  LEU   A N    1 
ATOM   1134 C CA   . LEU   A 1 164 ? 38.699 12.473 22.559 1.00 13.06 ? 160  LEU   A CA   1 
ATOM   1135 C C    . LEU   A 1 164 ? 39.952 13.074 21.939 1.00 16.16 ? 160  LEU   A C    1 
ATOM   1136 O O    . LEU   A 1 164 ? 39.853 14.022 21.155 1.00 16.96 ? 160  LEU   A O    1 
ATOM   1137 C CB   . LEU   A 1 164 ? 37.783 11.932 21.463 1.00 15.60 ? 160  LEU   A CB   1 
ATOM   1138 C CG   . LEU   A 1 164 ? 38.368 10.948 20.466 1.00 17.79 ? 160  LEU   A CG   1 
ATOM   1139 C CD1  . LEU   A 1 164 ? 38.657 9.622  21.147 1.00 17.93 ? 160  LEU   A CD1  1 
ATOM   1140 C CD2  . LEU   A 1 164 ? 37.381 10.805 19.325 1.00 15.94 ? 160  LEU   A CD2  1 
ATOM   1141 N N    . ARG   A 1 165 ? 41.120 12.538 22.287 1.00 15.52 ? 161  ARG   A N    1 
ATOM   1142 C CA   . ARG   A 1 165 ? 42.359 13.016 21.678 1.00 18.07 ? 161  ARG   A CA   1 
ATOM   1143 C C    . ARG   A 1 165 ? 42.570 12.285 20.355 1.00 20.01 ? 161  ARG   A C    1 
ATOM   1144 O O    . ARG   A 1 165 ? 42.612 11.051 20.325 1.00 19.12 ? 161  ARG   A O    1 
ATOM   1145 C CB   . ARG   A 1 165 ? 43.559 12.812 22.596 1.00 20.31 ? 161  ARG   A CB   1 
ATOM   1146 C CG   . ARG   A 1 165 ? 44.874 13.043 21.845 1.00 21.26 ? 161  ARG   A CG   1 
ATOM   1147 C CD   . ARG   A 1 165 ? 46.103 13.064 22.727 1.00 22.71 ? 161  ARG   A CD   1 
ATOM   1148 N NE   . ARG   A 1 165 ? 47.290 13.343 21.920 1.00 22.66 ? 161  ARG   A NE   1 
ATOM   1149 C CZ   . ARG   A 1 165 ? 48.520 12.959 22.232 1.00 31.35 ? 161  ARG   A CZ   1 
ATOM   1150 N NH1  . ARG   A 1 165 ? 48.771 12.280 23.339 1.00 31.45 ? 161  ARG   A NH1  1 
ATOM   1151 N NH2  . ARG   A 1 165 ? 49.523 13.254 21.407 1.00 32.86 ? 161  ARG   A NH2  1 
ATOM   1152 N N    . THR   A 1 166 ? 42.680 13.039 19.256 1.00 18.89 ? 162  THR   A N    1 
ATOM   1153 C CA   . THR   A 1 166 ? 42.794 12.445 17.929 1.00 22.80 ? 162  THR   A CA   1 
ATOM   1154 C C    . THR   A 1 166 ? 44.196 12.519 17.336 1.00 26.18 ? 162  THR   A C    1 
ATOM   1155 O O    . THR   A 1 166 ? 44.504 11.738 16.432 1.00 25.57 ? 162  THR   A O    1 
ATOM   1156 C CB   . THR   A 1 166 ? 41.809 13.115 16.963 1.00 22.74 ? 162  THR   A CB   1 
ATOM   1157 O OG1  . THR   A 1 166 ? 42.039 14.530 16.948 1.00 18.53 ? 162  THR   A OG1  1 
ATOM   1158 C CG2  . THR   A 1 166 ? 40.374 12.845 17.398 1.00 20.87 ? 162  THR   A CG2  1 
ATOM   1159 N N    . GLU   A 1 167 ? 45.047 13.417 17.817 1.00 25.10 ? 163  GLU   A N    1 
ATOM   1160 C CA   . GLU   A 1 167 ? 46.441 13.491 17.368 1.00 29.17 ? 163  GLU   A CA   1 
ATOM   1161 C C    . GLU   A 1 167 ? 47.332 14.003 18.493 1.00 28.89 ? 163  GLU   A C    1 
ATOM   1162 O O    . GLU   A 1 167 ? 48.549 13.790 18.506 1.00 29.96 ? 163  GLU   A O    1 
ATOM   1163 C CB   . GLU   A 1 167 ? 46.586 14.405 16.143 1.00 29.36 ? 163  GLU   A CB   1 
ATOM   1164 C CG   . GLU   A 1 167 ? 45.705 14.053 14.965 1.00 31.36 ? 163  GLU   A CG   1 
ATOM   1165 C CD   . GLU   A 1 167 ? 45.903 15.017 13.794 1.00 35.14 ? 163  GLU   A CD   1 
ATOM   1166 O OE1  . GLU   A 1 167 ? 46.822 15.871 13.867 1.00 39.51 ? 163  GLU   A OE1  1 
ATOM   1167 O OE2  . GLU   A 1 167 ? 45.138 14.923 12.808 1.00 33.56 ? 163  GLU   A OE2  1 
ATOM   1168 O OXT  . GLU   A 1 167 ? 46.844 14.648 19.423 1.00 28.33 ? 163  GLU   A OXT  1 
HETATM 1169 C C16  . A1AEL B 2 .   ? 33.191 0.441  35.448 1.00 38.75 ? 901  A1AEL A C16  1 
HETATM 1170 C C3   . A1AEL B 2 .   ? 34.818 5.080  39.647 1.00 41.29 ? 901  A1AEL A C3   1 
HETATM 1171 C C2   . A1AEL B 2 .   ? 34.408 5.693  38.469 1.00 36.71 ? 901  A1AEL A C2   1 
HETATM 1172 C C6   . A1AEL B 2 .   ? 34.142 3.526  37.432 1.00 37.38 ? 901  A1AEL A C6   1 
HETATM 1173 C C7   . A1AEL B 2 .   ? 34.064 4.914  37.372 1.00 37.05 ? 901  A1AEL A C7   1 
HETATM 1174 C C1   . A1AEL B 2 .   ? 34.332 7.185  38.396 1.00 36.98 ? 901  A1AEL A C1   1 
HETATM 1175 C C5   . A1AEL B 2 .   ? 34.557 2.923  38.611 1.00 40.02 ? 901  A1AEL A C5   1 
HETATM 1176 C C19  . A1AEL B 2 .   ? 35.641 -0.095 35.943 1.00 33.00 ? 901  A1AEL A C19  1 
HETATM 1177 C C21  . A1AEL B 2 .   ? 36.553 0.396  33.803 1.00 30.71 ? 901  A1AEL A C21  1 
HETATM 1178 C C14  . A1AEL B 2 .   ? 33.779 2.668  36.258 1.00 38.63 ? 901  A1AEL A C14  1 
HETATM 1179 C C22  . A1AEL B 2 .   ? 35.061 0.344  33.676 1.00 33.42 ? 901  A1AEL A C22  1 
HETATM 1180 C C18  . A1AEL B 2 .   ? 34.473 -0.221 34.963 1.00 33.48 ? 901  A1AEL A C18  1 
HETATM 1181 C C4   . A1AEL B 2 .   ? 34.894 3.694  39.708 1.00 38.88 ? 901  A1AEL A C4   1 
HETATM 1182 C C20  . A1AEL B 2 .   ? 36.868 -0.359 35.078 1.00 29.97 ? 901  A1AEL A C20  1 
HETATM 1183 N N15  . A1AEL B 2 .   ? 33.410 1.410  36.508 1.00 38.77 ? 901  A1AEL A N15  1 
HETATM 1184 O O10  . A1AEL B 2 .   ? 35.018 1.559  41.198 1.00 47.82 ? 901  A1AEL A O10  1 
HETATM 1185 O O12  . A1AEL B 2 .   ? 34.502 7.711  37.284 1.00 34.10 ? 901  A1AEL A O12  1 
HETATM 1186 O O13  . A1AEL B 2 .   ? 34.106 7.814  39.446 1.00 36.43 ? 901  A1AEL A O13  1 
HETATM 1187 O O17  . A1AEL B 2 .   ? 33.882 3.083  35.105 1.00 35.41 ? 901  A1AEL A O17  1 
HETATM 1188 O O23  . A1AEL B 2 .   ? 34.422 0.663  32.697 1.00 35.38 ? 901  A1AEL A O23  1 
HETATM 1189 O O9   . A1AEL B 2 .   ? 35.193 3.760  42.280 1.00 51.26 ? 901  A1AEL A O9   1 
HETATM 1190 S S8   . A1AEL B 2 .   ? 35.455 2.913  41.168 1.00 60.23 ? 901  A1AEL A S8   1 
HETATM 1191 H H161 . A1AEL B 2 .   ? 32.568 -0.248 35.768 1.00 46.55 ? 901  A1AEL A H161 1 
HETATM 1192 H H16  . A1AEL B 2 .   ? 32.748 0.887  34.694 1.00 46.55 ? 901  A1AEL A H16  1 
HETATM 1193 H H3   . A1AEL B 2 .   ? 35.042 5.595  40.393 1.00 49.60 ? 901  A1AEL A H3   1 
HETATM 1194 H H7   . A1AEL B 2 .   ? 33.774 5.332  36.574 1.00 44.51 ? 901  A1AEL A H7   1 
HETATM 1195 H H5   . A1AEL B 2 .   ? 34.608 1.992  38.662 1.00 48.07 ? 901  A1AEL A H5   1 
HETATM 1196 H H19  . A1AEL B 2 .   ? 35.573 -0.756 36.665 1.00 39.65 ? 901  A1AEL A H19  1 
HETATM 1197 H H191 . A1AEL B 2 .   ? 35.678 0.802  36.338 1.00 39.65 ? 901  A1AEL A H191 1 
HETATM 1198 H H21  . A1AEL B 2 .   ? 36.855 1.325  33.856 1.00 36.90 ? 901  A1AEL A H21  1 
HETATM 1199 H H211 . A1AEL B 2 .   ? 36.973 -0.027 33.027 1.00 36.90 ? 901  A1AEL A H211 1 
HETATM 1200 H H18  . A1AEL B 2 .   ? 34.245 -1.168 34.785 1.00 40.23 ? 901  A1AEL A H18  1 
HETATM 1201 H H201 . A1AEL B 2 .   ? 37.678 -0.019 35.498 1.00 36.01 ? 901  A1AEL A H201 1 
HETATM 1202 H H20  . A1AEL B 2 .   ? 36.982 -1.310 34.906 1.00 36.01 ? 901  A1AEL A H20  1 
HETATM 1203 H HN15 . A1AEL B 2 .   ? 33.298 1.164  37.335 1.00 46.58 ? 901  A1AEL A HN15 1 
HETATM 1204 S S    . SO4   C 3 .   ? 30.824 29.233 28.004 1.00 47.19 ? 902  SO4   A S    1 
HETATM 1205 O O1   . SO4   C 3 .   ? 30.670 28.959 26.569 1.00 38.18 ? 902  SO4   A O1   1 
HETATM 1206 O O2   . SO4   C 3 .   ? 30.631 30.661 28.253 1.00 50.69 ? 902  SO4   A O2   1 
HETATM 1207 O O3   . SO4   C 3 .   ? 29.855 28.487 28.823 1.00 35.27 ? 902  SO4   A O3   1 
HETATM 1208 O O4   . SO4   C 3 .   ? 32.174 28.866 28.420 1.00 44.32 ? 902  SO4   A O4   1 
HETATM 1209 S S    . SO4   D 3 .   ? 27.954 28.032 20.781 1.00 46.90 ? 903  SO4   A S    1 
HETATM 1210 O O1   . SO4   D 3 .   ? 27.638 29.087 19.818 1.00 49.26 ? 903  SO4   A O1   1 
HETATM 1211 O O2   . SO4   D 3 .   ? 29.106 27.279 20.285 1.00 42.81 ? 903  SO4   A O2   1 
HETATM 1212 O O3   . SO4   D 3 .   ? 26.811 27.130 20.988 1.00 36.85 ? 903  SO4   A O3   1 
HETATM 1213 O O4   . SO4   D 3 .   ? 28.312 28.635 22.069 1.00 51.71 ? 903  SO4   A O4   1 
HETATM 1214 S S    . SO4   E 3 .   ? 50.775 8.842  22.285 1.00 62.68 ? 904  SO4   A S    1 
HETATM 1215 O O1   . SO4   E 3 .   ? 51.183 9.797  21.252 1.00 58.88 ? 904  SO4   A O1   1 
HETATM 1216 O O2   . SO4   E 3 .   ? 51.507 7.586  22.106 1.00 63.87 ? 904  SO4   A O2   1 
HETATM 1217 O O3   . SO4   E 3 .   ? 49.337 8.578  22.180 1.00 45.92 ? 904  SO4   A O3   1 
HETATM 1218 O O4   . SO4   E 3 .   ? 51.071 9.408  23.603 1.00 57.37 ? 904  SO4   A O4   1 
HETATM 1219 O O    . HOH   F 4 .   ? 46.873 -4.239 28.625 1.00 56.92 ? 1001 HOH   A O    1 
HETATM 1220 O O    . HOH   F 4 .   ? 31.015 26.840 20.950 1.00 46.97 ? 1002 HOH   A O    1 
HETATM 1221 O O    . HOH   F 4 .   ? 49.844 6.334  21.124 1.00 52.87 ? 1003 HOH   A O    1 
HETATM 1222 O O    . HOH   F 4 .   ? 25.364 0.616  24.587 1.00 34.50 ? 1004 HOH   A O    1 
HETATM 1223 O O    . HOH   F 4 .   ? 44.828 27.161 29.823 1.00 48.00 ? 1005 HOH   A O    1 
HETATM 1224 O O    . HOH   F 4 .   ? 22.280 8.303  18.268 1.00 48.26 ? 1006 HOH   A O    1 
HETATM 1225 O O    . HOH   F 4 .   ? 29.350 -8.356 42.953 1.00 41.80 ? 1007 HOH   A O    1 
HETATM 1226 O O    . HOH   F 4 .   ? 39.507 -5.313 27.847 1.00 33.68 ? 1008 HOH   A O    1 
HETATM 1227 O O    . HOH   F 4 .   ? 53.682 20.387 25.979 1.00 43.62 ? 1009 HOH   A O    1 
HETATM 1228 O O    . HOH   F 4 .   ? 47.983 26.196 31.741 1.00 40.56 ? 1010 HOH   A O    1 
HETATM 1229 O O    . HOH   F 4 .   ? 47.221 5.381  20.974 1.00 42.35 ? 1011 HOH   A O    1 
HETATM 1230 O O    . HOH   F 4 .   ? 14.295 29.946 21.553 1.00 44.40 ? 1012 HOH   A O    1 
HETATM 1231 O O    . HOH   F 4 .   ? 18.277 31.441 31.706 1.00 53.33 ? 1013 HOH   A O    1 
HETATM 1232 O O    . HOH   F 4 .   ? 52.174 11.941 22.037 1.00 52.77 ? 1014 HOH   A O    1 
HETATM 1233 O O    . HOH   F 4 .   ? 40.318 -7.059 34.402 1.00 27.86 ? 1015 HOH   A O    1 
HETATM 1234 O O    . HOH   F 4 .   ? 15.290 21.273 31.644 1.00 45.04 ? 1016 HOH   A O    1 
HETATM 1235 O O    . HOH   F 4 .   ? 31.252 19.455 20.316 1.00 16.29 ? 1017 HOH   A O    1 
HETATM 1236 O O    . HOH   F 4 .   ? 34.156 11.144 11.239 1.00 32.58 ? 1018 HOH   A O    1 
HETATM 1237 O O    . HOH   F 4 .   ? 55.925 3.902  37.732 1.00 44.92 ? 1019 HOH   A O    1 
HETATM 1238 O O    . HOH   F 4 .   ? 15.797 20.137 34.598 1.00 37.97 ? 1020 HOH   A O    1 
HETATM 1239 O O    . HOH   F 4 .   ? 39.678 15.853 16.563 1.00 22.31 ? 1021 HOH   A O    1 
HETATM 1240 O O    . HOH   F 4 .   ? 41.633 4.864  29.285 1.00 27.26 ? 1022 HOH   A O    1 
HETATM 1241 O O    . HOH   F 4 .   ? 52.270 23.036 24.515 1.00 39.87 ? 1023 HOH   A O    1 
HETATM 1242 O O    . HOH   F 4 .   ? 42.160 -5.236 35.973 1.00 26.68 ? 1024 HOH   A O    1 
HETATM 1243 O O    . HOH   F 4 .   ? 45.545 24.835 26.230 1.00 31.82 ? 1025 HOH   A O    1 
HETATM 1244 O O    . HOH   F 4 .   ? 33.533 4.158  32.765 1.00 33.01 ? 1026 HOH   A O    1 
HETATM 1245 O O    . HOH   F 4 .   ? 27.804 30.100 24.165 1.00 44.81 ? 1027 HOH   A O    1 
HETATM 1246 O O    . HOH   F 4 .   ? 49.463 11.467 17.740 1.00 39.65 ? 1028 HOH   A O    1 
HETATM 1247 O O    . HOH   F 4 .   ? 19.071 34.760 23.339 1.00 38.92 ? 1029 HOH   A O    1 
HETATM 1248 O O    . HOH   F 4 .   ? 19.082 17.673 39.605 1.00 38.39 ? 1030 HOH   A O    1 
HETATM 1249 O O    . HOH   F 4 .   ? 38.602 6.168  22.488 1.00 28.46 ? 1031 HOH   A O    1 
HETATM 1250 O O    . HOH   F 4 .   ? 31.828 2.717  17.875 1.00 29.22 ? 1032 HOH   A O    1 
HETATM 1251 O O    . HOH   F 4 .   ? 39.991 13.903 38.922 1.00 18.77 ? 1033 HOH   A O    1 
HETATM 1252 O O    . HOH   F 4 .   ? 35.153 10.072 36.237 1.00 32.54 ? 1034 HOH   A O    1 
HETATM 1253 O O    . HOH   F 4 .   ? 46.054 10.409 14.719 1.00 39.12 ? 1035 HOH   A O    1 
HETATM 1254 O O    . HOH   F 4 .   ? 23.581 18.463 25.459 1.00 27.22 ? 1036 HOH   A O    1 
HETATM 1255 O O    . HOH   F 4 .   ? 35.879 7.155  35.068 1.00 26.93 ? 1037 HOH   A O    1 
HETATM 1256 O O    . HOH   F 4 .   ? 24.242 13.042 38.248 1.00 33.90 ? 1038 HOH   A O    1 
HETATM 1257 O O    . HOH   F 4 .   ? 41.964 17.748 34.159 1.00 22.47 ? 1039 HOH   A O    1 
HETATM 1258 O O    . HOH   F 4 .   ? 19.510 13.179 17.311 1.00 53.70 ? 1040 HOH   A O    1 
HETATM 1259 O O    . HOH   F 4 .   ? 17.316 24.780 36.459 1.00 43.30 ? 1041 HOH   A O    1 
HETATM 1260 O O    . HOH   F 4 .   ? 35.369 0.298  25.198 1.00 30.68 ? 1042 HOH   A O    1 
HETATM 1261 O O    . HOH   F 4 .   ? 35.469 23.483 15.756 1.00 42.96 ? 1043 HOH   A O    1 
HETATM 1262 O O    . HOH   F 4 .   ? 43.515 8.736  30.665 1.00 21.35 ? 1044 HOH   A O    1 
HETATM 1263 O O    . HOH   F 4 .   ? 22.181 16.438 25.789 1.00 28.52 ? 1045 HOH   A O    1 
HETATM 1264 O O    . HOH   F 4 .   ? 50.508 15.681 18.874 1.00 36.66 ? 1046 HOH   A O    1 
HETATM 1265 O O    . HOH   F 4 .   ? 35.695 14.360 15.864 1.00 23.08 ? 1047 HOH   A O    1 
HETATM 1266 O O    . HOH   F 4 .   ? 44.976 4.467  28.402 1.00 33.04 ? 1048 HOH   A O    1 
HETATM 1267 O O    . HOH   F 4 .   ? 20.271 12.779 24.909 1.00 32.75 ? 1049 HOH   A O    1 
HETATM 1268 O O    . HOH   F 4 .   ? 37.342 20.157 11.624 1.00 44.27 ? 1050 HOH   A O    1 
HETATM 1269 O O    . HOH   F 4 .   ? 32.991 4.901  43.370 1.00 37.73 ? 1051 HOH   A O    1 
HETATM 1270 O O    . HOH   F 4 .   ? 37.617 20.651 36.899 1.00 21.90 ? 1052 HOH   A O    1 
HETATM 1271 O O    . HOH   F 4 .   ? 31.182 -3.845 21.504 1.00 27.18 ? 1053 HOH   A O    1 
HETATM 1272 O O    . HOH   F 4 .   ? 25.201 18.903 14.641 1.00 22.82 ? 1054 HOH   A O    1 
HETATM 1273 O O    . HOH   F 4 .   ? 28.574 26.710 23.991 1.00 36.49 ? 1055 HOH   A O    1 
HETATM 1274 O O    . HOH   F 4 .   ? 46.101 8.690  29.627 1.00 21.60 ? 1056 HOH   A O    1 
HETATM 1275 O O    . HOH   F 4 .   ? 31.094 18.355 9.339  1.00 19.91 ? 1057 HOH   A O    1 
HETATM 1276 O O    . HOH   F 4 .   ? 38.954 4.276  29.401 1.00 29.23 ? 1058 HOH   A O    1 
HETATM 1277 O O    . HOH   F 4 .   ? 48.048 26.791 18.389 1.00 42.90 ? 1059 HOH   A O    1 
HETATM 1278 O O    . HOH   F 4 .   ? 28.988 16.729 12.543 1.00 20.01 ? 1060 HOH   A O    1 
HETATM 1279 O O    . HOH   F 4 .   ? 19.447 19.406 19.390 1.00 36.26 ? 1061 HOH   A O    1 
HETATM 1280 O O    . HOH   F 4 .   ? 38.267 5.985  28.124 1.00 29.72 ? 1062 HOH   A O    1 
HETATM 1281 O O    . HOH   F 4 .   ? 48.384 7.290  30.097 1.00 35.85 ? 1063 HOH   A O    1 
HETATM 1282 O O    . HOH   F 4 .   ? 46.126 18.470 13.190 1.00 43.61 ? 1064 HOH   A O    1 
HETATM 1283 O O    . HOH   F 4 .   ? 46.839 -5.331 36.083 1.00 42.10 ? 1065 HOH   A O    1 
HETATM 1284 O O    . HOH   F 4 .   ? 50.905 23.823 32.352 1.00 40.01 ? 1066 HOH   A O    1 
HETATM 1285 O O    . HOH   F 4 .   ? 20.838 21.571 25.108 1.00 28.23 ? 1067 HOH   A O    1 
HETATM 1286 O O    . HOH   F 4 .   ? 32.974 -2.340 38.510 1.00 39.73 ? 1068 HOH   A O    1 
HETATM 1287 O O    . HOH   F 4 .   ? 20.227 15.622 17.805 1.00 36.26 ? 1069 HOH   A O    1 
HETATM 1288 O O    . HOH   F 4 .   ? 31.451 7.816  33.234 1.00 29.75 ? 1070 HOH   A O    1 
HETATM 1289 O O    . HOH   F 4 .   ? 36.715 12.344 14.218 1.00 37.06 ? 1071 HOH   A O    1 
HETATM 1290 O O    . HOH   F 4 .   ? 23.679 23.244 40.182 1.00 51.97 ? 1072 HOH   A O    1 
HETATM 1291 O O    . HOH   F 4 .   ? 23.035 23.296 38.023 1.00 34.41 ? 1073 HOH   A O    1 
HETATM 1292 O O    . HOH   F 4 .   ? 36.625 6.102  31.138 1.00 26.99 ? 1074 HOH   A O    1 
HETATM 1293 O O    . HOH   F 4 .   ? 32.303 6.984  41.441 1.00 34.58 ? 1075 HOH   A O    1 
HETATM 1294 O O    . HOH   F 4 .   ? 23.685 8.053  33.342 1.00 36.44 ? 1076 HOH   A O    1 
HETATM 1295 O O    . HOH   F 4 .   ? 27.263 27.894 15.138 1.00 34.32 ? 1077 HOH   A O    1 
HETATM 1296 O O    . HOH   F 4 .   ? 22.800 9.942  28.175 1.00 24.41 ? 1078 HOH   A O    1 
HETATM 1297 O O    . HOH   F 4 .   ? 14.597 25.791 27.388 1.00 44.97 ? 1079 HOH   A O    1 
HETATM 1298 O O    . HOH   F 4 .   ? 18.501 22.305 29.264 1.00 29.61 ? 1080 HOH   A O    1 
HETATM 1299 O O    . HOH   F 4 .   ? 35.415 16.224 11.980 1.00 31.65 ? 1081 HOH   A O    1 
HETATM 1300 O O    . HOH   F 4 .   ? 30.532 21.915 35.105 1.00 27.01 ? 1082 HOH   A O    1 
HETATM 1301 O O    . HOH   F 4 .   ? 46.259 1.319  28.226 1.00 41.49 ? 1083 HOH   A O    1 
HETATM 1302 O O    . HOH   F 4 .   ? 29.236 2.893  33.906 1.00 39.49 ? 1084 HOH   A O    1 
HETATM 1303 O O    . HOH   F 4 .   ? 35.654 7.294  29.289 1.00 27.08 ? 1085 HOH   A O    1 
HETATM 1304 O O    . HOH   F 4 .   ? 33.008 3.794  20.108 1.00 18.93 ? 1086 HOH   A O    1 
HETATM 1305 O O    . HOH   F 4 .   ? 38.770 -7.842 46.105 1.00 40.09 ? 1087 HOH   A O    1 
HETATM 1306 O O    . HOH   F 4 .   ? 48.332 17.157 31.605 1.00 26.14 ? 1088 HOH   A O    1 
HETATM 1307 O O    . HOH   F 4 .   ? 27.381 30.327 36.668 1.00 49.22 ? 1089 HOH   A O    1 
HETATM 1308 O O    . HOH   F 4 .   ? 15.446 27.551 25.069 1.00 35.96 ? 1090 HOH   A O    1 
HETATM 1309 O O    . HOH   F 4 .   ? 21.095 29.833 34.520 1.00 43.98 ? 1091 HOH   A O    1 
HETATM 1310 O O    . HOH   F 4 .   ? 28.239 12.414 13.045 1.00 27.52 ? 1092 HOH   A O    1 
HETATM 1311 O O    . HOH   F 4 .   ? 27.610 5.799  15.715 1.00 31.66 ? 1093 HOH   A O    1 
HETATM 1312 O O    . HOH   F 4 .   ? 34.278 -6.256 33.419 1.00 22.01 ? 1094 HOH   A O    1 
HETATM 1313 O O    . HOH   F 4 .   ? 24.887 30.620 35.031 1.00 41.72 ? 1095 HOH   A O    1 
HETATM 1314 O O    . HOH   F 4 .   ? 22.467 18.561 15.803 1.00 28.24 ? 1096 HOH   A O    1 
HETATM 1315 O O    . HOH   F 4 .   ? 55.429 -0.784 37.957 1.00 58.54 ? 1097 HOH   A O    1 
HETATM 1316 O O    . HOH   F 4 .   ? 49.162 10.216 31.035 1.00 39.21 ? 1098 HOH   A O    1 
HETATM 1317 O O    . HOH   F 4 .   ? 38.848 25.664 18.153 1.00 39.97 ? 1099 HOH   A O    1 
HETATM 1318 O O    . HOH   F 4 .   ? 34.391 12.632 36.394 1.00 18.63 ? 1100 HOH   A O    1 
HETATM 1319 O O    . HOH   F 4 .   ? 48.420 3.569  42.512 1.00 38.63 ? 1101 HOH   A O    1 
HETATM 1320 O O    . HOH   F 4 .   ? 31.793 8.844  35.505 1.00 49.67 ? 1102 HOH   A O    1 
HETATM 1321 O O    . HOH   F 4 .   ? 29.746 6.141  32.175 1.00 25.57 ? 1103 HOH   A O    1 
HETATM 1322 O O    . HOH   F 4 .   ? 19.685 13.594 32.806 1.00 32.27 ? 1104 HOH   A O    1 
HETATM 1323 O O    . HOH   F 4 .   ? 22.106 3.996  19.969 1.00 50.98 ? 1105 HOH   A O    1 
HETATM 1324 O O    . HOH   F 4 .   ? 38.735 -1.153 30.090 1.00 26.53 ? 1106 HOH   A O    1 
HETATM 1325 O O    . HOH   F 4 .   ? 20.194 17.331 21.052 1.00 36.38 ? 1107 HOH   A O    1 
HETATM 1326 O O    . HOH   F 4 .   ? 29.849 15.920 10.022 1.00 25.29 ? 1108 HOH   A O    1 
HETATM 1327 O O    . HOH   F 4 .   ? 30.779 24.861 13.525 1.00 28.90 ? 1109 HOH   A O    1 
HETATM 1328 O O    . HOH   F 4 .   ? 30.378 10.549 37.154 1.00 32.17 ? 1110 HOH   A O    1 
HETATM 1329 O O    . HOH   F 4 .   ? 15.902 27.433 21.670 1.00 40.18 ? 1111 HOH   A O    1 
HETATM 1330 O O    . HOH   F 4 .   ? 19.792 18.614 41.451 1.00 45.73 ? 1112 HOH   A O    1 
HETATM 1331 O O    . HOH   F 4 .   ? 51.573 -2.628 42.770 1.00 52.81 ? 1113 HOH   A O    1 
HETATM 1332 O O    . HOH   F 4 .   ? 41.073 28.121 32.905 1.00 33.98 ? 1114 HOH   A O    1 
HETATM 1333 O O    . HOH   F 4 .   ? 29.150 25.611 11.325 1.00 29.15 ? 1115 HOH   A O    1 
HETATM 1334 O O    . HOH   F 4 .   ? 42.471 9.569  15.614 1.00 43.95 ? 1116 HOH   A O    1 
HETATM 1335 O O    . HOH   F 4 .   ? 18.149 17.768 29.075 1.00 38.57 ? 1117 HOH   A O    1 
HETATM 1336 O O    . HOH   F 4 .   ? 16.090 31.375 35.232 1.00 53.23 ? 1118 HOH   A O    1 
HETATM 1337 O O    . HOH   F 4 .   ? 42.237 -8.063 40.102 1.00 34.70 ? 1119 HOH   A O    1 
HETATM 1338 O O    . HOH   F 4 .   ? 43.561 16.967 37.778 1.00 32.72 ? 1120 HOH   A O    1 
HETATM 1339 O O    . HOH   F 4 .   ? 19.099 24.707 38.807 1.00 46.74 ? 1121 HOH   A O    1 
HETATM 1340 O O    . HOH   F 4 .   ? 48.577 -3.680 29.409 1.00 60.87 ? 1122 HOH   A O    1 
HETATM 1341 O O    . HOH   F 4 .   ? 36.245 1.832  45.412 1.00 48.64 ? 1123 HOH   A O    1 
HETATM 1342 O O    . HOH   F 4 .   ? 31.761 -0.097 38.730 1.00 43.86 ? 1124 HOH   A O    1 
HETATM 1343 O O    . HOH   F 4 .   ? 25.669 10.731 37.463 1.00 40.05 ? 1125 HOH   A O    1 
HETATM 1344 O O    . HOH   F 4 .   ? 28.323 -6.596 41.627 1.00 41.52 ? 1126 HOH   A O    1 
HETATM 1345 O O    . HOH   F 4 .   ? 21.619 9.134  30.421 1.00 44.13 ? 1127 HOH   A O    1 
HETATM 1346 O O    . HOH   F 4 .   ? 29.547 10.030 12.651 1.00 31.58 ? 1128 HOH   A O    1 
HETATM 1347 O O    . HOH   F 4 .   ? 15.816 21.705 36.057 1.00 42.49 ? 1129 HOH   A O    1 
HETATM 1348 O O    . HOH   F 4 .   ? 31.180 26.682 24.365 1.00 52.92 ? 1130 HOH   A O    1 
HETATM 1349 O O    . HOH   F 4 .   ? 19.495 29.155 33.122 1.00 44.47 ? 1131 HOH   A O    1 
HETATM 1350 O O    . HOH   F 4 .   ? 55.579 1.680  38.278 1.00 53.90 ? 1132 HOH   A O    1 
HETATM 1351 O O    . HOH   F 4 .   ? 38.099 25.201 26.787 1.00 34.02 ? 1133 HOH   A O    1 
HETATM 1352 O O    . HOH   F 4 .   ? 13.782 23.356 28.670 1.00 49.02 ? 1134 HOH   A O    1 
HETATM 1353 O O    . HOH   F 4 .   ? 37.233 1.093  29.693 1.00 29.75 ? 1135 HOH   A O    1 
HETATM 1354 O O    . HOH   F 4 .   ? 34.153 24.778 25.899 1.00 35.92 ? 1136 HOH   A O    1 
HETATM 1355 O O    . HOH   F 4 .   ? 50.132 15.374 30.865 1.00 38.28 ? 1137 HOH   A O    1 
HETATM 1356 O O    . HOH   F 4 .   ? 37.535 17.512 10.715 1.00 37.36 ? 1138 HOH   A O    1 
HETATM 1357 O O    . HOH   F 4 .   ? 51.146 -0.270 40.986 1.00 51.50 ? 1139 HOH   A O    1 
HETATM 1358 O O    . HOH   F 4 .   ? 30.857 4.565  44.788 1.00 46.28 ? 1140 HOH   A O    1 
HETATM 1359 O O    . HOH   F 4 .   ? 24.728 8.702  35.993 1.00 41.79 ? 1141 HOH   A O    1 
HETATM 1360 O O    . HOH   F 4 .   ? 21.164 17.615 23.429 1.00 32.36 ? 1142 HOH   A O    1 
HETATM 1361 O O    . HOH   F 4 .   ? 27.946 10.212 38.985 1.00 43.73 ? 1143 HOH   A O    1 
HETATM 1362 O O    . HOH   F 4 .   ? 46.947 17.879 36.359 1.00 31.89 ? 1144 HOH   A O    1 
HETATM 1363 O O    . HOH   F 4 .   ? 48.510 17.826 34.145 1.00 33.61 ? 1145 HOH   A O    1 
HETATM 1364 O O    . HOH   F 4 .   ? 22.639 7.986  26.174 1.00 34.89 ? 1146 HOH   A O    1 
HETATM 1365 O O    . HOH   F 4 .   ? 21.894 8.924  35.275 1.00 56.01 ? 1147 HOH   A O    1 
HETATM 1366 O O    . HOH   F 4 .   ? 39.581 14.633 14.039 1.00 31.40 ? 1148 HOH   A O    1 
HETATM 1367 O O    . HOH   F 4 .   ? 13.959 30.910 35.329 1.00 53.43 ? 1149 HOH   A O    1 
HETATM 1368 O O    . HOH   F 4 .   ? 16.437 20.209 28.956 1.00 42.65 ? 1150 HOH   A O    1 
HETATM 1369 O O    . HOH   F 4 .   ? 37.243 25.431 17.120 1.00 39.65 ? 1151 HOH   A O    1 
HETATM 1370 O O    . HOH   F 4 .   ? 41.161 13.447 13.045 1.00 49.05 ? 1152 HOH   A O    1 
HETATM 1371 O O    . HOH   F 4 .   ? 35.645 4.508  23.697 1.00 29.18 ? 1153 HOH   A O    1 
HETATM 1372 O O    . HOH   F 4 .   ? 24.974 1.595  26.747 1.00 33.24 ? 1154 HOH   A O    1 
HETATM 1373 O O    . HOH   F 4 .   ? 19.268 20.289 23.583 1.00 34.84 ? 1155 HOH   A O    1 
HETATM 1374 O O    . HOH   F 4 .   ? 52.208 17.614 33.227 1.00 48.81 ? 1156 HOH   A O    1 
HETATM 1375 O O    . HOH   F 4 .   ? 35.944 -6.671 31.018 1.00 20.84 ? 1157 HOH   A O    1 
HETATM 1376 O O    . HOH   F 4 .   ? 47.814 28.583 15.176 1.00 54.37 ? 1158 HOH   A O    1 
HETATM 1377 O O    . HOH   F 4 .   ? 41.643 -8.306 35.949 1.00 43.26 ? 1159 HOH   A O    1 
HETATM 1378 O O    . HOH   F 4 .   ? 33.304 24.634 14.362 1.00 34.52 ? 1160 HOH   A O    1 
HETATM 1379 O O    . HOH   F 4 .   ? 18.000 11.893 19.332 1.00 49.03 ? 1161 HOH   A O    1 
HETATM 1380 O O    . HOH   F 4 .   ? 20.580 10.362 26.662 1.00 37.80 ? 1162 HOH   A O    1 
HETATM 1381 O O    . HOH   F 4 .   ? 37.048 -4.509 26.963 1.00 34.56 ? 1163 HOH   A O    1 
HETATM 1382 O O    . HOH   F 4 .   ? 36.563 14.071 13.675 1.00 34.04 ? 1164 HOH   A O    1 
HETATM 1383 O O    . HOH   F 4 .   ? 44.221 -6.600 36.479 1.00 43.52 ? 1165 HOH   A O    1 
HETATM 1384 O O    . HOH   F 4 .   ? 32.502 25.220 23.824 1.00 43.85 ? 1166 HOH   A O    1 
HETATM 1385 O O    . HOH   F 4 .   ? 31.068 4.711  39.793 1.00 48.57 ? 1167 HOH   A O    1 
HETATM 1386 O O    . HOH   F 4 .   ? 19.460 11.203 31.886 1.00 41.68 ? 1168 HOH   A O    1 
HETATM 1387 O O    . HOH   F 4 .   ? 35.618 13.219 11.767 1.00 32.92 ? 1169 HOH   A O    1 
HETATM 1388 O O    . HOH   F 4 .   ? 36.602 24.179 25.313 1.00 33.11 ? 1170 HOH   A O    1 
HETATM 1389 O O    . HOH   F 4 .   ? 25.402 13.402 40.175 1.00 41.56 ? 1171 HOH   A O    1 
HETATM 1390 O O    . HOH   F 4 .   ? 14.867 25.034 22.375 1.00 45.09 ? 1172 HOH   A O    1 
HETATM 1391 O O    . HOH   F 4 .   ? 45.007 28.919 32.037 1.00 38.74 ? 1173 HOH   A O    1 
HETATM 1392 O O    . HOH   F 4 .   ? 39.590 11.868 13.870 1.00 36.56 ? 1174 HOH   A O    1 
HETATM 1393 O O    . HOH   F 4 .   ? 28.359 32.416 36.597 1.00 46.36 ? 1175 HOH   A O    1 
HETATM 1394 O O    . HOH   F 4 .   ? 50.521 1.250  42.208 1.00 48.24 ? 1176 HOH   A O    1 
HETATM 1395 O O    . HOH   F 4 .   ? 21.647 32.644 34.218 1.00 51.27 ? 1177 HOH   A O    1 
HETATM 1396 O O    . HOH   F 4 .   ? 50.988 15.256 34.874 1.00 50.99 ? 1178 HOH   A O    1 
HETATM 1397 O O    . HOH   F 4 .   ? 18.024 10.800 21.556 1.00 50.98 ? 1179 HOH   A O    1 
HETATM 1398 O O    . HOH   F 4 .   ? 18.171 10.968 28.541 1.00 40.83 ? 1180 HOH   A O    1 
# 
